# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/28ed78f1-e450-42b6-ab3d-2e4837643bfc/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 BaYCl5 / C2/c (15) / materials id 756564](https://mdr.nims.go.jp/datasets/0ccd5ada-cc04-4317-924b-827f06d92ba8) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-08 23:57:49]-------------------------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 2.730312165000001 -9.498040285000000 0.000000000000000 b 2.730312165000001 9.498040285000000 0.000000000000000 c -0.347754236298480 0.000000000000000 6.716611612099959Atomic positions (fractional): *1 Ba 0.32857268036042 0.67142731963958 0.75000000000000 137.327 2 Ba 0.67142731963958 0.32857268036042 0.25000000000000 137.327 *3 Y 0.07665157714545 0.92334842285455 0.75000000000000 88.906 4 Y 0.92334842285455 0.07665157714545 0.25000000000000 88.906 *5 Cl 0.21255751547128 0.27530426528685 0.59506363002471 35.453 6 Cl 0.27530426528685 0.21255751547128 0.09506363002471 35.453 *7 Cl 0.82035008589653 0.19563947386632 0.99822638710254 35.453 *8 Cl 0.62748630766127 0.37251369233873 0.75000000000000 35.453 9 Cl 0.80436052613368 0.17964991410347 0.50177361289746 35.453 10 Cl 0.19563947386632 0.82035008589653 0.49822638710254 35.453 11 Cl 0.37251369233873 0.62748630766127 0.25000000000000 35.453 12 Cl 0.17964991410347 0.80436052613368 0.00177361289746 35.453 13 Cl 0.72469573471315 0.78744248452872 0.90493636997529 35.453 14 Cl 0.78744248452872 0.72469573471315 0.40493636997529 35.453-------------------------------- unit cell ---------------------------------Lattice vectors: a 5.460624330000003 0.000000000000000 0.000000000000000 b 0.000000000000000 18.996080570000000 0.000000000000000 c -0.347754236298480 0.000000000000000 6.716611612099959Atomic positions (fractional): *1 Ba 0.00000000000000 0.67142731963958 0.75000000000000 137.327 > 1 2 Ba 0.50000000000000 0.82857268036042 0.25000000000000 137.327 > 2 3 Ba 0.50000000000000 0.17142731963957 0.75000000000000 137.327 > 1 4 Ba 0.00000000000000 0.32857268036043 0.25000000000000 137.327 > 2 *5 Y 0.00000000000000 0.92334842285455 0.75000000000000 88.906 > 3 6 Y 0.50000000000000 0.57665157714545 0.25000000000000 88.906 > 4 7 Y 0.50000000000000 0.42334842285455 0.75000000000000 88.906 > 3 8 Y 0.00000000000000 0.07665157714545 0.25000000000000 88.906 > 4 *9 Cl 0.74393089037906 0.53137337490778 0.59506363002471 35.453 > 5 10 Cl 0.24393089037906 0.96862662509222 0.09506363002471 35.453 > 6 *11 Cl 0.50799477988142 0.68764469398489 0.99822638710254 35.453 > 7 *12 Cl 0.50000000000000 0.87251369233873 0.75000000000000 35.453 > 8 13 Cl 0.49200522011858 0.68764469398489 0.50177361289746 35.453 > 9 14 Cl 0.00799477988142 0.81235530601511 0.49822638710254 35.453 > 10 15 Cl 0.00000000000000 0.62748630766127 0.25000000000000 35.453 > 11 16 Cl 0.99200522011858 0.81235530601511 0.00177361289746 35.453 > 12 17 Cl 0.25606910962094 0.53137337490778 0.90493636997529 35.453 > 13 18 Cl 0.75606910962094 0.96862662509222 0.40493636997529 35.453 > 14 19 Cl 0.24393089037906 0.03137337490778 0.59506363002471 35.453 > 5 20 Cl 0.74393089037906 0.46862662509222 0.09506363002471 35.453 > 6 21 Cl 0.00799477988142 0.18764469398489 0.99822638710254 35.453 > 7 22 Cl 0.00000000000000 0.37251369233873 0.75000000000000 35.453 > 8 23 Cl 0.99200522011858 0.18764469398489 0.50177361289746 35.453 > 9 24 Cl 0.50799477988142 0.31235530601511 0.49822638710254 35.453 > 10 25 Cl 0.50000000000000 0.12748630766127 0.25000000000000 35.453 > 11 26 Cl 0.49200522011858 0.31235530601511 0.00177361289746 35.453 > 12 27 Cl 0.75606910962094 0.03137337490778 0.90493636997529 35.453 > 13 28 Cl 0.25606910962094 0.46862662509222 0.40493636997529 35.453 > 14-------------------------------- super cell --------------------------------Lattice vectors: a 10.921248660000005 0.000000000000000 0.000000000000000 b 0.000000000000000 18.996080570000000 0.000000000000000 c -0.695508472596960 0.000000000000000 13.433223224199917Atomic positions (fractional): *1 Ba 0.00000000000000 0.67142731963958 0.37500000000000 137.327 > 1 2 Ba 0.50000000000000 0.67142731963958 0.37500000000000 137.327 > 1 3 Ba 0.00000000000000 0.67142731963958 0.87500000000000 137.327 > 1 4 Ba 0.50000000000000 0.67142731963958 0.87500000000000 137.327 > 1 5 Ba 0.25000000000000 0.82857268036042 0.12500000000000 137.327 > 2 6 Ba 0.75000000000000 0.82857268036042 0.12500000000000 137.327 > 2 7 Ba 0.25000000000000 0.82857268036042 0.62500000000000 137.327 > 2 8 Ba 0.75000000000000 0.82857268036042 0.62500000000000 137.327 > 2 9 Ba 0.25000000000000 0.17142731963957 0.37500000000000 137.327 > 1 10 Ba 0.75000000000000 0.17142731963957 0.37500000000000 137.327 > 1 11 Ba 0.25000000000000 0.17142731963957 0.87500000000000 137.327 > 1 12 Ba 0.75000000000000 0.17142731963957 0.87500000000000 137.327 > 1 13 Ba 0.00000000000000 0.32857268036043 0.12500000000000 137.327 > 2 14 Ba 0.50000000000000 0.32857268036043 0.12500000000000 137.327 > 2 15 Ba 0.00000000000000 0.32857268036043 0.62500000000000 137.327 > 2 16 Ba 0.50000000000000 0.32857268036043 0.62500000000000 137.327 > 2 *17 Y 0.00000000000000 0.92334842285455 0.37500000000000 88.906 > 3 18 Y 0.50000000000000 0.92334842285455 0.37500000000000 88.906 > 3 19 Y 0.00000000000000 0.92334842285455 0.87500000000000 88.906 > 3 20 Y 0.50000000000000 0.92334842285455 0.87500000000000 88.906 > 3 21 Y 0.25000000000000 0.57665157714545 0.12500000000000 88.906 > 4 22 Y 0.75000000000000 0.57665157714545 0.12500000000000 88.906 > 4 23 Y 0.25000000000000 0.57665157714545 0.62500000000000 88.906 > 4 24 Y 0.75000000000000 0.57665157714545 0.62500000000000 88.906 > 4 25 Y 0.25000000000000 0.42334842285455 0.37500000000000 88.906 > 3 26 Y 0.75000000000000 0.42334842285455 0.37500000000000 88.906 > 3 27 Y 0.25000000000000 0.42334842285455 0.87500000000000 88.906 > 3 28 Y 0.75000000000000 0.42334842285455 0.87500000000000 88.906 > 3 29 Y 0.00000000000000 0.07665157714545 0.12500000000000 88.906 > 4 30 Y 0.50000000000000 0.07665157714545 0.12500000000000 88.906 > 4 31 Y 0.00000000000000 0.07665157714545 0.62500000000000 88.906 > 4 32 Y 0.50000000000000 0.07665157714545 0.62500000000000 88.906 > 4 *33 Cl 0.37196544518953 0.53137337490778 0.29753181501236 35.453 > 5 34 Cl 0.87196544518953 0.53137337490778 0.29753181501236 35.453 > 5 35 Cl 0.37196544518953 0.53137337490778 0.79753181501236 35.453 > 5 36 Cl 0.87196544518953 0.53137337490778 0.79753181501236 35.453 > 5 37 Cl 0.12196544518953 0.96862662509222 0.04753181501236 35.453 > 6 38 Cl 0.62196544518953 0.96862662509222 0.04753181501236 35.453 > 6 39 Cl 0.12196544518953 0.96862662509222 0.54753181501236 35.453 > 6 40 Cl 0.62196544518953 0.96862662509222 0.54753181501236 35.453 > 6 *41 Cl 0.25399738994071 0.68764469398489 0.49911319355127 35.453 > 7 42 Cl 0.75399738994071 0.68764469398489 0.49911319355127 35.453 > 7 43 Cl 0.25399738994071 0.68764469398489 0.99911319355127 35.453 > 7 44 Cl 0.75399738994071 0.68764469398489 0.99911319355127 35.453 > 7 *45 Cl 0.25000000000000 0.87251369233873 0.37500000000000 35.453 > 8 46 Cl 0.75000000000000 0.87251369233873 0.37500000000000 35.453 > 8 47 Cl 0.25000000000000 0.87251369233873 0.87500000000000 35.453 > 8 48 Cl 0.75000000000000 0.87251369233873 0.87500000000000 35.453 > 8 49 Cl 0.24600261005929 0.68764469398489 0.25088680644873 35.453 > 9 50 Cl 0.74600261005929 0.68764469398489 0.25088680644873 35.453 > 9 51 Cl 0.24600261005929 0.68764469398489 0.75088680644873 35.453 > 9 52 Cl 0.74600261005929 0.68764469398489 0.75088680644873 35.453 > 9 53 Cl 0.00399738994071 0.81235530601511 0.24911319355127 35.453 > 10 54 Cl 0.50399738994071 0.81235530601511 0.24911319355127 35.453 > 10 55 Cl 0.00399738994071 0.81235530601511 0.74911319355127 35.453 > 10 56 Cl 0.50399738994071 0.81235530601511 0.74911319355127 35.453 > 10 57 Cl 0.00000000000000 0.62748630766127 0.12500000000000 35.453 > 11 58 Cl 0.50000000000000 0.62748630766127 0.12500000000000 35.453 > 11 59 Cl 0.00000000000000 0.62748630766127 0.62500000000000 35.453 > 11 60 Cl 0.50000000000000 0.62748630766127 0.62500000000000 35.453 > 11 61 Cl 0.49600261005929 0.81235530601511 0.00088680644873 35.453 > 12 62 Cl 0.99600261005929 0.81235530601511 0.00088680644873 35.453 > 12 63 Cl 0.49600261005929 0.81235530601511 0.50088680644873 35.453 > 12 64 Cl 0.99600261005929 0.81235530601511 0.50088680644873 35.453 > 12 65 Cl 0.12803455481047 0.53137337490778 0.45246818498764 35.453 > 13 66 Cl 0.62803455481047 0.53137337490778 0.45246818498764 35.453 > 13 67 Cl 0.12803455481047 0.53137337490778 0.95246818498764 35.453 > 13 68 Cl 0.62803455481047 0.53137337490778 0.95246818498764 35.453 > 13 69 Cl 0.37803455481047 0.96862662509222 0.20246818498764 35.453 > 14 70 Cl 0.87803455481047 0.96862662509222 0.20246818498764 35.453 > 14 71 Cl 0.37803455481047 0.96862662509222 0.70246818498764 35.453 > 14 72 Cl 0.87803455481047 0.96862662509222 0.70246818498764 35.453 > 14 73 Cl 0.12196544518953 0.03137337490778 0.29753181501236 35.453 > 5 74 Cl 0.62196544518953 0.03137337490778 0.29753181501236 35.453 > 5 75 Cl 0.12196544518953 0.03137337490778 0.79753181501236 35.453 > 5 76 Cl 0.62196544518953 0.03137337490778 0.79753181501236 35.453 > 5 77 Cl 0.37196544518953 0.46862662509222 0.04753181501236 35.453 > 6 78 Cl 0.87196544518953 0.46862662509222 0.04753181501236 35.453 > 6 79 Cl 0.37196544518953 0.46862662509222 0.54753181501236 35.453 > 6 80 Cl 0.87196544518953 0.46862662509222 0.54753181501236 35.453 > 6 81 Cl 0.00399738994071 0.18764469398489 0.49911319355127 35.453 > 7 82 Cl 0.50399738994071 0.18764469398489 0.49911319355127 35.453 > 7 83 Cl 0.00399738994071 0.18764469398489 0.99911319355127 35.453 > 7 84 Cl 0.50399738994071 0.18764469398489 0.99911319355127 35.453 > 7 85 Cl 0.00000000000000 0.37251369233873 0.37500000000000 35.453 > 8 86 Cl 0.50000000000000 0.37251369233873 0.37500000000000 35.453 > 8 87 Cl 0.00000000000000 0.37251369233873 0.87500000000000 35.453 > 8 88 Cl 0.50000000000000 0.37251369233873 0.87500000000000 35.453 > 8 89 Cl 0.49600261005929 0.18764469398489 0.25088680644873 35.453 > 9 90 Cl 0.99600261005929 0.18764469398489 0.25088680644873 35.453 > 9 91 Cl 0.49600261005929 0.18764469398489 0.75088680644873 35.453 > 9 92 Cl 0.99600261005929 0.18764469398489 0.75088680644873 35.453 > 9 93 Cl 0.25399738994071 0.31235530601511 0.24911319355127 35.453 > 10 94 Cl 0.75399738994071 0.31235530601511 0.24911319355127 35.453 > 10 95 Cl 0.25399738994071 0.31235530601511 0.74911319355127 35.453 > 10 96 Cl 0.75399738994071 0.31235530601511 0.74911319355127 35.453 > 10 97 Cl 0.25000000000000 0.12748630766127 0.12500000000000 35.453 > 11 98 Cl 0.75000000000000 0.12748630766127 0.12500000000000 35.453 > 11 99 Cl 0.25000000000000 0.12748630766127 0.62500000000000 35.453 > 11 100 Cl 0.75000000000000 0.12748630766127 0.62500000000000 35.453 > 11 101 Cl 0.24600261005929 0.31235530601511 0.00088680644873 35.453 > 12 102 Cl 0.74600261005929 0.31235530601511 0.00088680644873 35.453 > 12 103 Cl 0.24600261005929 0.31235530601511 0.50088680644873 35.453 > 12 104 Cl 0.74600261005929 0.31235530601511 0.50088680644873 35.453 > 12 105 Cl 0.37803455481047 0.03137337490778 0.45246818498764 35.453 > 13 106 Cl 0.87803455481047 0.03137337490778 0.45246818498764 35.453 > 13 107 Cl 0.37803455481047 0.03137337490778 0.95246818498764 35.453 > 13 108 Cl 0.87803455481047 0.03137337490778 0.95246818498764 35.453 > 13 109 Cl 0.12803455481047 0.46862662509222 0.20246818498764 35.453 > 14 110 Cl 0.62803455481047 0.46862662509222 0.20246818498764 35.453 > 14 111 Cl 0.12803455481047 0.46862662509222 0.70246818498764 35.453 > 14 112 Cl 0.62803455481047 0.46862662509222 0.70246818498764 35.453 > 14----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 3.7643040 0.0000000 0.0693407 0.0000000 3.7693329 0.0000000 0.0693403 0.0000000 3.7643376-------------------------- Born effective charges -------------------------- 1 Ba 2.8054169 0.0000000 0.1321945 0.0000000 2.9170223 0.0000000 0.1157621 0.0000000 2.8173692 2 Ba 2.8054169 0.0000000 0.1321945 0.0000000 2.9170223 0.0000000 0.1157621 0.0000000 2.8173692 3 Y 3.6124295 0.0000000 0.0644068 0.0000000 3.8747121 0.0000000 0.0453402 0.0000000 3.7556549 4 Y 3.6124295 0.0000000 0.0644068 0.0000000 3.8747121 0.0000000 0.0453402 0.0000000 3.7556549 5 Cl -0.9438710 -0.4059790 -0.1542113 -0.3692743 -1.4383020 0.3199518 -0.1276521 0.4353879 -1.3745094 6 Cl -0.9438710 0.4059790 -0.1542113 0.3692743 -1.4383020 -0.3199518 -0.1276521 -0.4353879 -1.3745094 7 Cl -1.2229343 -0.0252849 0.0291851 -0.0169893 -1.5359127 0.1992550 0.0162094 0.2167604 -1.3029312 8 Cl -2.0842359 0.0000000 0.0534511 0.0000000 -0.8433050 0.0000000 0.0617831 0.0000000 -1.2181429 9 Cl -1.2229343 0.0252849 0.0291851 0.0169893 -1.5359127 -0.1992550 0.0162094 -0.2167604 -1.3029312 10 Cl -1.2229343 0.0252849 0.0291851 0.0169893 -1.5359127 -0.1992550 0.0162094 -0.2167604 -1.3029312 11 Cl -2.0842359 0.0000000 0.0534511 0.0000000 -0.8433050 0.0000000 0.0617831 0.0000000 -1.2181429 12 Cl -1.2229343 -0.0252849 0.0291851 -0.0169893 -1.5359127 0.1992550 0.0162094 0.2167604 -1.3029312 13 Cl -0.9438710 0.4059790 -0.1542113 0.3692743 -1.4383020 -0.3199518 -0.1276521 -0.4353879 -1.3745094 14 Cl -0.9438710 -0.4059790 -0.1542113 -0.3692743 -1.4383020 0.3199518 -0.1276521 0.4353879 -1.3745094----------------------------------------------------------------------------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: 2.998Solver_block: 200 / 480 - Time: 3.015Solver_block: 300 / 480 - Time: 3.013Solver_block: 400 / 480 - Time: 3.008Solver_block: 480 / 480 - Time: 2.439Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 14.523--------------------------------- 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 23:58:24]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 23:58:24]-------------------------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 2.730312165000001 -9.498040285000000 0.000000000000000 b 2.730312165000001 9.498040285000000 0.000000000000000 c -0.347754236298480 0.000000000000000 6.716611612099959Atomic positions (fractional): 1 Ba 0.32857268036042 0.67142731963958 0.75000000000000 137.327 2 Ba 0.67142731963958 0.32857268036042 0.25000000000000 137.327 3 Y 0.07665157714545 0.92334842285455 0.75000000000000 88.906 4 Y 0.92334842285455 0.07665157714545 0.25000000000000 88.906 5 Cl 0.21255751547128 0.27530426528685 0.59506363002471 35.453 6 Cl 0.27530426528685 0.21255751547128 0.09506363002471 35.453 7 Cl 0.82035008589653 0.19563947386632 0.99822638710254 35.453 8 Cl 0.62748630766127 0.37251369233873 0.75000000000000 35.453 9 Cl 0.80436052613368 0.17964991410347 0.50177361289746 35.453 10 Cl 0.19563947386632 0.82035008589653 0.49822638710254 35.453 11 Cl 0.37251369233873 0.62748630766127 0.25000000000000 35.453 12 Cl 0.17964991410347 0.80436052613368 0.00177361289746 35.453 13 Cl 0.72469573471315 0.78744248452872 0.90493636997529 35.453 14 Cl 0.78744248452872 0.72469573471315 0.40493636997529 35.453-------------------------------- supercell ---------------------------------Lattice vectors: a 10.921248660000005 0.000000000000000 0.000000000000000 b 0.000000000000000 18.996080570000000 0.000000000000000 c -0.695508472596960 0.000000000000000 13.433223224199917Atomic positions (fractional): 1 Ba 0.00000000000000 0.67142731963958 0.37500000000000 137.327 > 1 2 Ba 0.50000000000000 0.67142731963958 0.37500000000000 137.327 > 1 3 Ba 0.00000000000000 0.67142731963958 0.87500000000000 137.327 > 1 4 Ba 0.50000000000000 0.67142731963958 0.87500000000000 137.327 > 1 5 Ba 0.25000000000000 0.82857268036042 0.12500000000000 137.327 > 5 6 Ba 0.75000000000000 0.82857268036042 0.12500000000000 137.327 > 5 7 Ba 0.25000000000000 0.82857268036042 0.62500000000000 137.327 > 5 8 Ba 0.75000000000000 0.82857268036042 0.62500000000000 137.327 > 5 9 Ba 0.25000000000000 0.17142731963957 0.37500000000000 137.327 > 1 10 Ba 0.75000000000000 0.17142731963957 0.37500000000000 137.327 > 1 11 Ba 0.25000000000000 0.17142731963957 0.87500000000000 137.327 > 1 12 Ba 0.75000000000000 0.17142731963957 0.87500000000000 137.327 > 1 13 Ba 0.00000000000000 0.32857268036043 0.12500000000000 137.327 > 5 14 Ba 0.50000000000000 0.32857268036043 0.12500000000000 137.327 > 5 15 Ba 0.00000000000000 0.32857268036043 0.62500000000000 137.327 > 5 16 Ba 0.50000000000000 0.32857268036043 0.62500000000000 137.327 > 5 17 Y 0.00000000000000 0.92334842285455 0.37500000000000 88.906 > 17 18 Y 0.50000000000000 0.92334842285455 0.37500000000000 88.906 > 17 19 Y 0.00000000000000 0.92334842285455 0.87500000000000 88.906 > 17 20 Y 0.50000000000000 0.92334842285455 0.87500000000000 88.906 > 17 21 Y 0.25000000000000 0.57665157714545 0.12500000000000 88.906 > 21 22 Y 0.75000000000000 0.57665157714545 0.12500000000000 88.906 > 21 23 Y 0.25000000000000 0.57665157714545 0.62500000000000 88.906 > 21 24 Y 0.75000000000000 0.57665157714545 0.62500000000000 88.906 > 21 25 Y 0.25000000000000 0.42334842285455 0.37500000000000 88.906 > 17 26 Y 0.75000000000000 0.42334842285455 0.37500000000000 88.906 > 17 27 Y 0.25000000000000 0.42334842285455 0.87500000000000 88.906 > 17 28 Y 0.75000000000000 0.42334842285455 0.87500000000000 88.906 > 17 29 Y 0.00000000000000 0.07665157714545 0.12500000000000 88.906 > 21 30 Y 0.50000000000000 0.07665157714545 0.12500000000000 88.906 > 21 31 Y 0.00000000000000 0.07665157714545 0.62500000000000 88.906 > 21 32 Y 0.50000000000000 0.07665157714545 0.62500000000000 88.906 > 21 33 Cl 0.37196544518953 0.53137337490778 0.29753181501236 35.453 > 33 34 Cl 0.87196544518953 0.53137337490778 0.29753181501236 35.453 > 33 35 Cl 0.37196544518953 0.53137337490778 0.79753181501236 35.453 > 33 36 Cl 0.87196544518953 0.53137337490778 0.79753181501236 35.453 > 33 37 Cl 0.12196544518953 0.96862662509222 0.04753181501236 35.453 > 37 38 Cl 0.62196544518953 0.96862662509222 0.04753181501236 35.453 > 37 39 Cl 0.12196544518953 0.96862662509222 0.54753181501236 35.453 > 37 40 Cl 0.62196544518953 0.96862662509222 0.54753181501236 35.453 > 37 41 Cl 0.25399738994071 0.68764469398489 0.49911319355127 35.453 > 41 42 Cl 0.75399738994071 0.68764469398489 0.49911319355127 35.453 > 41 43 Cl 0.25399738994071 0.68764469398489 0.99911319355127 35.453 > 41 44 Cl 0.75399738994071 0.68764469398489 0.99911319355127 35.453 > 41 45 Cl 0.25000000000000 0.87251369233873 0.37500000000000 35.453 > 45 46 Cl 0.75000000000000 0.87251369233873 0.37500000000000 35.453 > 45 47 Cl 0.25000000000000 0.87251369233873 0.87500000000000 35.453 > 45 48 Cl 0.75000000000000 0.87251369233873 0.87500000000000 35.453 > 45 49 Cl 0.24600261005929 0.68764469398489 0.25088680644873 35.453 > 49 50 Cl 0.74600261005929 0.68764469398489 0.25088680644873 35.453 > 49 51 Cl 0.24600261005929 0.68764469398489 0.75088680644873 35.453 > 49 52 Cl 0.74600261005929 0.68764469398489 0.75088680644873 35.453 > 49 53 Cl 0.00399738994071 0.81235530601511 0.24911319355127 35.453 > 53 54 Cl 0.50399738994071 0.81235530601511 0.24911319355127 35.453 > 53 55 Cl 0.00399738994071 0.81235530601511 0.74911319355127 35.453 > 53 56 Cl 0.50399738994071 0.81235530601511 0.74911319355127 35.453 > 53 57 Cl 0.00000000000000 0.62748630766127 0.12500000000000 35.453 > 57 58 Cl 0.50000000000000 0.62748630766127 0.12500000000000 35.453 > 57 59 Cl 0.00000000000000 0.62748630766127 0.62500000000000 35.453 > 57 60 Cl 0.50000000000000 0.62748630766127 0.62500000000000 35.453 > 57 61 Cl 0.49600261005929 0.81235530601511 0.00088680644873 35.453 > 61 62 Cl 0.99600261005929 0.81235530601511 0.00088680644873 35.453 > 61 63 Cl 0.49600261005929 0.81235530601511 0.50088680644873 35.453 > 61 64 Cl 0.99600261005929 0.81235530601511 0.50088680644873 35.453 > 61 65 Cl 0.12803455481047 0.53137337490778 0.45246818498764 35.453 > 65 66 Cl 0.62803455481047 0.53137337490778 0.45246818498764 35.453 > 65 67 Cl 0.12803455481047 0.53137337490778 0.95246818498764 35.453 > 65 68 Cl 0.62803455481047 0.53137337490778 0.95246818498764 35.453 > 65 69 Cl 0.37803455481047 0.96862662509222 0.20246818498764 35.453 > 69 70 Cl 0.87803455481047 0.96862662509222 0.20246818498764 35.453 > 69 71 Cl 0.37803455481047 0.96862662509222 0.70246818498764 35.453 > 69 72 Cl 0.87803455481047 0.96862662509222 0.70246818498764 35.453 > 69 73 Cl 0.12196544518953 0.03137337490778 0.29753181501236 35.453 > 33 74 Cl 0.62196544518953 0.03137337490778 0.29753181501236 35.453 > 33 75 Cl 0.12196544518953 0.03137337490778 0.79753181501236 35.453 > 33 76 Cl 0.62196544518953 0.03137337490778 0.79753181501236 35.453 > 33 77 Cl 0.37196544518953 0.46862662509222 0.04753181501236 35.453 > 37 78 Cl 0.87196544518953 0.46862662509222 0.04753181501236 35.453 > 37 79 Cl 0.37196544518953 0.46862662509222 0.54753181501236 35.453 > 37 80 Cl 0.87196544518953 0.46862662509222 0.54753181501236 35.453 > 37 81 Cl 0.00399738994071 0.18764469398489 0.49911319355127 35.453 > 41 82 Cl 0.50399738994071 0.18764469398489 0.49911319355127 35.453 > 41 83 Cl 0.00399738994071 0.18764469398489 0.99911319355127 35.453 > 41 84 Cl 0.50399738994071 0.18764469398489 0.99911319355127 35.453 > 41 85 Cl 0.00000000000000 0.37251369233873 0.37500000000000 35.453 > 45 86 Cl 0.50000000000000 0.37251369233873 0.37500000000000 35.453 > 45 87 Cl 0.00000000000000 0.37251369233873 0.87500000000000 35.453 > 45 88 Cl 0.50000000000000 0.37251369233873 0.87500000000000 35.453 > 45 89 Cl 0.49600261005929 0.18764469398489 0.25088680644873 35.453 > 49 90 Cl 0.99600261005929 0.18764469398489 0.25088680644873 35.453 > 49 91 Cl 0.49600261005929 0.18764469398489 0.75088680644873 35.453 > 49 92 Cl 0.99600261005929 0.18764469398489 0.75088680644873 35.453 > 49 93 Cl 0.25399738994071 0.31235530601511 0.24911319355127 35.453 > 53 94 Cl 0.75399738994071 0.31235530601511 0.24911319355127 35.453 > 53 95 Cl 0.25399738994071 0.31235530601511 0.74911319355127 35.453 > 53 96 Cl 0.75399738994071 0.31235530601511 0.74911319355127 35.453 > 53 97 Cl 0.25000000000000 0.12748630766127 0.12500000000000 35.453 > 57 98 Cl 0.75000000000000 0.12748630766127 0.12500000000000 35.453 > 57 99 Cl 0.25000000000000 0.12748630766127 0.62500000000000 35.453 > 57 100 Cl 0.75000000000000 0.12748630766127 0.62500000000000 35.453 > 57 101 Cl 0.24600261005929 0.31235530601511 0.00088680644873 35.453 > 61 102 Cl 0.74600261005929 0.31235530601511 0.00088680644873 35.453 > 61 103 Cl 0.24600261005929 0.31235530601511 0.50088680644873 35.453 > 61 104 Cl 0.74600261005929 0.31235530601511 0.50088680644873 35.453 > 61 105 Cl 0.37803455481047 0.03137337490778 0.45246818498764 35.453 > 65 106 Cl 0.87803455481047 0.03137337490778 0.45246818498764 35.453 > 65 107 Cl 0.37803455481047 0.03137337490778 0.95246818498764 35.453 > 65 108 Cl 0.87803455481047 0.03137337490778 0.95246818498764 35.453 > 65 109 Cl 0.12803455481047 0.46862662509222 0.20246818498764 35.453 > 69 110 Cl 0.62803455481047 0.46862662509222 0.20246818498764 35.453 > 69 111 Cl 0.12803455481047 0.46862662509222 0.70246818498764 35.453 > 69 112 Cl 0.62803455481047 0.46862662509222 0.70246818498764 35.453 > 69----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 3.7643040 0.0000000 0.0693407 0.0000000 3.7693329 0.0000000 0.0693403 0.0000000 3.7643376-------------------------- Born effective charges -------------------------- 1 Ba 2.8054169 0.0000000 0.1321945 0.0000000 2.9170223 0.0000000 0.1157621 0.0000000 2.8173692 2 Ba 2.8054169 0.0000000 0.1321945 0.0000000 2.9170223 0.0000000 0.1157621 0.0000000 2.8173692 3 Y 3.6124295 0.0000000 0.0644068 0.0000000 3.8747121 0.0000000 0.0453402 0.0000000 3.7556549 4 Y 3.6124295 0.0000000 0.0644068 0.0000000 3.8747121 0.0000000 0.0453402 0.0000000 3.7556549 5 Cl -0.9438710 -0.4059790 -0.1542113 -0.3692743 -1.4383020 0.3199518 -0.1276521 0.4353879 -1.3745094 6 Cl -0.9438710 0.4059790 -0.1542113 0.3692743 -1.4383020 -0.3199518 -0.1276521 -0.4353879 -1.3745094 7 Cl -1.2229343 -0.0252849 0.0291851 -0.0169893 -1.5359127 0.1992550 0.0162094 0.2167604 -1.3029312 8 Cl -2.0842359 0.0000000 0.0534511 0.0000000 -0.8433050 0.0000000 0.0617831 0.0000000 -1.2181429 9 Cl -1.2229343 0.0252849 0.0291851 0.0169893 -1.5359127 -0.1992550 0.0162094 -0.2167604 -1.3029312 10 Cl -1.2229343 0.0252849 0.0291851 0.0169893 -1.5359127 -0.1992550 0.0162094 -0.2167604 -1.3029312 11 Cl -2.0842359 0.0000000 0.0534511 0.0000000 -0.8433050 0.0000000 0.0617831 0.0000000 -1.2181429 12 Cl -1.2229343 -0.0252849 0.0291851 -0.0169893 -1.5359127 0.1992550 0.0162094 0.2167604 -1.3029312 13 Cl -0.9438710 0.4059790 -0.1542113 0.3692743 -1.4383020 -0.3199518 -0.1276521 -0.4353879 -1.3745094 14 Cl -0.9438710 -0.4059790 -0.1542113 -0.3692743 -1.4383020 0.3199518 -0.1276521 0.4353879 -1.3745094----------------------------------------------------------------------------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: 0.00000000 (zx) 0.00000000 (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 23:58:44]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 23:58:44]-------------------------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 2.730312165000001 -9.498040285000000 0.000000000000000 b 2.730312165000001 9.498040285000000 0.000000000000000 c -0.347754236298480 0.000000000000000 6.716611612099959Atomic positions (fractional): 1 Ba 0.32857268036042 0.67142731963958 0.75000000000000 137.327 2 Ba 0.67142731963958 0.32857268036042 0.25000000000000 137.327 3 Y 0.07665157714545 0.92334842285455 0.75000000000000 88.906 4 Y 0.92334842285455 0.07665157714545 0.25000000000000 88.906 5 Cl 0.21255751547128 0.27530426528685 0.59506363002471 35.453 6 Cl 0.27530426528685 0.21255751547128 0.09506363002471 35.453 7 Cl 0.82035008589653 0.19563947386632 0.99822638710254 35.453 8 Cl 0.62748630766127 0.37251369233873 0.75000000000000 35.453 9 Cl 0.80436052613368 0.17964991410347 0.50177361289746 35.453 10 Cl 0.19563947386632 0.82035008589653 0.49822638710254 35.453 11 Cl 0.37251369233873 0.62748630766127 0.25000000000000 35.453 12 Cl 0.17964991410347 0.80436052613368 0.00177361289746 35.453 13 Cl 0.72469573471315 0.78744248452872 0.90493636997529 35.453 14 Cl 0.78744248452872 0.72469573471315 0.40493636997529 35.453-------------------------------- supercell ---------------------------------Lattice vectors: a 10.921248660000005 0.000000000000000 0.000000000000000 b 0.000000000000000 18.996080570000000 0.000000000000000 c -0.695508472596960 0.000000000000000 13.433223224199917Atomic positions (fractional): 1 Ba 0.00000000000000 0.67142731963958 0.37500000000000 137.327 > 1 2 Ba 0.50000000000000 0.67142731963958 0.37500000000000 137.327 > 1 3 Ba 0.00000000000000 0.67142731963958 0.87500000000000 137.327 > 1 4 Ba 0.50000000000000 0.67142731963958 0.87500000000000 137.327 > 1 5 Ba 0.25000000000000 0.82857268036042 0.12500000000000 137.327 > 5 6 Ba 0.75000000000000 0.82857268036042 0.12500000000000 137.327 > 5 7 Ba 0.25000000000000 0.82857268036042 0.62500000000000 137.327 > 5 8 Ba 0.75000000000000 0.82857268036042 0.62500000000000 137.327 > 5 9 Ba 0.25000000000000 0.17142731963957 0.37500000000000 137.327 > 1 10 Ba 0.75000000000000 0.17142731963957 0.37500000000000 137.327 > 1 11 Ba 0.25000000000000 0.17142731963957 0.87500000000000 137.327 > 1 12 Ba 0.75000000000000 0.17142731963957 0.87500000000000 137.327 > 1 13 Ba 0.00000000000000 0.32857268036043 0.12500000000000 137.327 > 5 14 Ba 0.50000000000000 0.32857268036043 0.12500000000000 137.327 > 5 15 Ba 0.00000000000000 0.32857268036043 0.62500000000000 137.327 > 5 16 Ba 0.50000000000000 0.32857268036043 0.62500000000000 137.327 > 5 17 Y 0.00000000000000 0.92334842285455 0.37500000000000 88.906 > 17 18 Y 0.50000000000000 0.92334842285455 0.37500000000000 88.906 > 17 19 Y 0.00000000000000 0.92334842285455 0.87500000000000 88.906 > 17 20 Y 0.50000000000000 0.92334842285455 0.87500000000000 88.906 > 17 21 Y 0.25000000000000 0.57665157714545 0.12500000000000 88.906 > 21 22 Y 0.75000000000000 0.57665157714545 0.12500000000000 88.906 > 21 23 Y 0.25000000000000 0.57665157714545 0.62500000000000 88.906 > 21 24 Y 0.75000000000000 0.57665157714545 0.62500000000000 88.906 > 21 25 Y 0.25000000000000 0.42334842285455 0.37500000000000 88.906 > 17 26 Y 0.75000000000000 0.42334842285455 0.37500000000000 88.906 > 17 27 Y 0.25000000000000 0.42334842285455 0.87500000000000 88.906 > 17 28 Y 0.75000000000000 0.42334842285455 0.87500000000000 88.906 > 17 29 Y 0.00000000000000 0.07665157714545 0.12500000000000 88.906 > 21 30 Y 0.50000000000000 0.07665157714545 0.12500000000000 88.906 > 21 31 Y 0.00000000000000 0.07665157714545 0.62500000000000 88.906 > 21 32 Y 0.50000000000000 0.07665157714545 0.62500000000000 88.906 > 21 33 Cl 0.37196544518953 0.53137337490778 0.29753181501236 35.453 > 33 34 Cl 0.87196544518953 0.53137337490778 0.29753181501236 35.453 > 33 35 Cl 0.37196544518953 0.53137337490778 0.79753181501236 35.453 > 33 36 Cl 0.87196544518953 0.53137337490778 0.79753181501236 35.453 > 33 37 Cl 0.12196544518953 0.96862662509222 0.04753181501236 35.453 > 37 38 Cl 0.62196544518953 0.96862662509222 0.04753181501236 35.453 > 37 39 Cl 0.12196544518953 0.96862662509222 0.54753181501236 35.453 > 37 40 Cl 0.62196544518953 0.96862662509222 0.54753181501236 35.453 > 37 41 Cl 0.25399738994071 0.68764469398489 0.49911319355127 35.453 > 41 42 Cl 0.75399738994071 0.68764469398489 0.49911319355127 35.453 > 41 43 Cl 0.25399738994071 0.68764469398489 0.99911319355127 35.453 > 41 44 Cl 0.75399738994071 0.68764469398489 0.99911319355127 35.453 > 41 45 Cl 0.25000000000000 0.87251369233873 0.37500000000000 35.453 > 45 46 Cl 0.75000000000000 0.87251369233873 0.37500000000000 35.453 > 45 47 Cl 0.25000000000000 0.87251369233873 0.87500000000000 35.453 > 45 48 Cl 0.75000000000000 0.87251369233873 0.87500000000000 35.453 > 45 49 Cl 0.24600261005929 0.68764469398489 0.25088680644873 35.453 > 49 50 Cl 0.74600261005929 0.68764469398489 0.25088680644873 35.453 > 49 51 Cl 0.24600261005929 0.68764469398489 0.75088680644873 35.453 > 49 52 Cl 0.74600261005929 0.68764469398489 0.75088680644873 35.453 > 49 53 Cl 0.00399738994071 0.81235530601511 0.24911319355127 35.453 > 53 54 Cl 0.50399738994071 0.81235530601511 0.24911319355127 35.453 > 53 55 Cl 0.00399738994071 0.81235530601511 0.74911319355127 35.453 > 53 56 Cl 0.50399738994071 0.81235530601511 0.74911319355127 35.453 > 53 57 Cl 0.00000000000000 0.62748630766127 0.12500000000000 35.453 > 57 58 Cl 0.50000000000000 0.62748630766127 0.12500000000000 35.453 > 57 59 Cl 0.00000000000000 0.62748630766127 0.62500000000000 35.453 > 57 60 Cl 0.50000000000000 0.62748630766127 0.62500000000000 35.453 > 57 61 Cl 0.49600261005929 0.81235530601511 0.00088680644873 35.453 > 61 62 Cl 0.99600261005929 0.81235530601511 0.00088680644873 35.453 > 61 63 Cl 0.49600261005929 0.81235530601511 0.50088680644873 35.453 > 61 64 Cl 0.99600261005929 0.81235530601511 0.50088680644873 35.453 > 61 65 Cl 0.12803455481047 0.53137337490778 0.45246818498764 35.453 > 65 66 Cl 0.62803455481047 0.53137337490778 0.45246818498764 35.453 > 65 67 Cl 0.12803455481047 0.53137337490778 0.95246818498764 35.453 > 65 68 Cl 0.62803455481047 0.53137337490778 0.95246818498764 35.453 > 65 69 Cl 0.37803455481047 0.96862662509222 0.20246818498764 35.453 > 69 70 Cl 0.87803455481047 0.96862662509222 0.20246818498764 35.453 > 69 71 Cl 0.37803455481047 0.96862662509222 0.70246818498764 35.453 > 69 72 Cl 0.87803455481047 0.96862662509222 0.70246818498764 35.453 > 69 73 Cl 0.12196544518953 0.03137337490778 0.29753181501236 35.453 > 33 74 Cl 0.62196544518953 0.03137337490778 0.29753181501236 35.453 > 33 75 Cl 0.12196544518953 0.03137337490778 0.79753181501236 35.453 > 33 76 Cl 0.62196544518953 0.03137337490778 0.79753181501236 35.453 > 33 77 Cl 0.37196544518953 0.46862662509222 0.04753181501236 35.453 > 37 78 Cl 0.87196544518953 0.46862662509222 0.04753181501236 35.453 > 37 79 Cl 0.37196544518953 0.46862662509222 0.54753181501236 35.453 > 37 80 Cl 0.87196544518953 0.46862662509222 0.54753181501236 35.453 > 37 81 Cl 0.00399738994071 0.18764469398489 0.49911319355127 35.453 > 41 82 Cl 0.50399738994071 0.18764469398489 0.49911319355127 35.453 > 41 83 Cl 0.00399738994071 0.18764469398489 0.99911319355127 35.453 > 41 84 Cl 0.50399738994071 0.18764469398489 0.99911319355127 35.453 > 41 85 Cl 0.00000000000000 0.37251369233873 0.37500000000000 35.453 > 45 86 Cl 0.50000000000000 0.37251369233873 0.37500000000000 35.453 > 45 87 Cl 0.00000000000000 0.37251369233873 0.87500000000000 35.453 > 45 88 Cl 0.50000000000000 0.37251369233873 0.87500000000000 35.453 > 45 89 Cl 0.49600261005929 0.18764469398489 0.25088680644873 35.453 > 49 90 Cl 0.99600261005929 0.18764469398489 0.25088680644873 35.453 > 49 91 Cl 0.49600261005929 0.18764469398489 0.75088680644873 35.453 > 49 92 Cl 0.99600261005929 0.18764469398489 0.75088680644873 35.453 > 49 93 Cl 0.25399738994071 0.31235530601511 0.24911319355127 35.453 > 53 94 Cl 0.75399738994071 0.31235530601511 0.24911319355127 35.453 > 53 95 Cl 0.25399738994071 0.31235530601511 0.74911319355127 35.453 > 53 96 Cl 0.75399738994071 0.31235530601511 0.74911319355127 35.453 > 53 97 Cl 0.25000000000000 0.12748630766127 0.12500000000000 35.453 > 57 98 Cl 0.75000000000000 0.12748630766127 0.12500000000000 35.453 > 57 99 Cl 0.25000000000000 0.12748630766127 0.62500000000000 35.453 > 57 100 Cl 0.75000000000000 0.12748630766127 0.62500000000000 35.453 > 57 101 Cl 0.24600261005929 0.31235530601511 0.00088680644873 35.453 > 61 102 Cl 0.74600261005929 0.31235530601511 0.00088680644873 35.453 > 61 103 Cl 0.24600261005929 0.31235530601511 0.50088680644873 35.453 > 61 104 Cl 0.74600261005929 0.31235530601511 0.50088680644873 35.453 > 61 105 Cl 0.37803455481047 0.03137337490778 0.45246818498764 35.453 > 65 106 Cl 0.87803455481047 0.03137337490778 0.45246818498764 35.453 > 65 107 Cl 0.37803455481047 0.03137337490778 0.95246818498764 35.453 > 65 108 Cl 0.87803455481047 0.03137337490778 0.95246818498764 35.453 > 65 109 Cl 0.12803455481047 0.46862662509222 0.20246818498764 35.453 > 69 110 Cl 0.62803455481047 0.46862662509222 0.20246818498764 35.453 > 69 111 Cl 0.12803455481047 0.46862662509222 0.70246818498764 35.453 > 69 112 Cl 0.62803455481047 0.46862662509222 0.70246818498764 35.453 > 69----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 3.7643040 0.0000000 0.0693407 0.0000000 3.7693329 0.0000000 0.0693403 0.0000000 3.7643376-------------------------- Born effective charges -------------------------- 1 Ba 2.8054169 0.0000000 0.1321945 0.0000000 2.9170223 0.0000000 0.1157621 0.0000000 2.8173692 2 Ba 2.8054169 0.0000000 0.1321945 0.0000000 2.9170223 0.0000000 0.1157621 0.0000000 2.8173692 3 Y 3.6124295 0.0000000 0.0644068 0.0000000 3.8747121 0.0000000 0.0453402 0.0000000 3.7556549 4 Y 3.6124295 0.0000000 0.0644068 0.0000000 3.8747121 0.0000000 0.0453402 0.0000000 3.7556549 5 Cl -0.9438710 -0.4059790 -0.1542113 -0.3692743 -1.4383020 0.3199518 -0.1276521 0.4353879 -1.3745094 6 Cl -0.9438710 0.4059790 -0.1542113 0.3692743 -1.4383020 -0.3199518 -0.1276521 -0.4353879 -1.3745094 7 Cl -1.2229343 -0.0252849 0.0291851 -0.0169893 -1.5359127 0.1992550 0.0162094 0.2167604 -1.3029312 8 Cl -2.0842359 0.0000000 0.0534511 0.0000000 -0.8433050 0.0000000 0.0617831 0.0000000 -1.2181429 9 Cl -1.2229343 0.0252849 0.0291851 0.0169893 -1.5359127 -0.1992550 0.0162094 -0.2167604 -1.3029312 10 Cl -1.2229343 0.0252849 0.0291851 0.0169893 -1.5359127 -0.1992550 0.0162094 -0.2167604 -1.3029312 11 Cl -2.0842359 0.0000000 0.0534511 0.0000000 -0.8433050 0.0000000 0.0617831 0.0000000 -1.2181429 12 Cl -1.2229343 -0.0252849 0.0291851 -0.0169893 -1.5359127 0.1992550 0.0162094 0.2167604 -1.3029312 13 Cl -0.9438710 0.4059790 -0.1542113 0.3692743 -1.4383020 -0.3199518 -0.1276521 -0.4353879 -1.3745094 14 Cl -0.9438710 -0.4059790 -0.1542113 -0.3692743 -1.4383020 0.3199518 -0.1276521 0.4353879 -1.3745094----------------------------------------------------------------------------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 ... [ 10 10 7 ]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: 0.59, Number of G-points: 293, Lambda: 0.12Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/196) =======================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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 196Calculating 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 0.735 ( 0.000 0.000 0.000) 0.000 1.458 ( 0.000 0.000 0.000) 0.000 1.995 ( 0.000 0.000 0.000) 0.000 2.102 ( 0.000 0.000 0.000) 0.000 2.193 ( 0.000 0.000 0.000) 0.000 2.237 ( 0.000 0.000 0.000) 0.000 2.450 ( 0.000 0.000 0.000) 0.000 2.779 ( 0.000 0.000 0.000) 0.000 2.877 ( 0.000 0.000 0.000) 0.000 2.957 ( 0.000 0.000 0.000) 0.000 3.194 ( 0.000 0.000 0.000) 0.000 3.449 ( 0.000 0.000 0.000) 0.000 3.471 ( 0.000 0.000 0.000) 0.000 3.910 ( 0.000 0.000 0.000) 0.000 3.913 ( 0.000 0.000 0.000) 0.000 4.055 ( 0.000 0.000 0.000) 0.000 4.111 ( 0.000 0.000 0.000) 0.000 4.201 ( 0.000 0.000 0.000) 0.000 4.318 ( 0.000 0.000 0.000) 0.000 4.619 ( 0.000 0.000 0.000) 0.000 4.640 ( 0.000 0.000 0.000) 0.000 4.698 ( 0.000 0.000 0.000) 0.000 4.773 ( 0.000 0.000 0.000) 0.000 4.866 ( 0.000 0.000 0.000) 0.000 5.488 ( 0.000 0.000 0.000) 0.000 5.577 ( 0.000 0.000 0.000) 0.000 5.696 ( 0.000 0.000 0.000) 0.000 5.728 ( 0.000 0.000 0.000) 0.000 5.744 ( 0.000 0.000 0.000) 0.000 5.976 ( 0.000 0.000 0.000) 0.000 5.991 ( 0.000 0.000 0.000) 0.000 6.289 ( 0.000 0.000 0.000) 0.000 6.608 ( 0.000 0.000 0.000) 0.000 6.693 ( 0.000 0.000 0.000) 0.000 7.001 ( 0.000 0.000 0.000) 0.000 7.458 ( 0.000 0.000 0.000) 0.000 7.560 ( 0.000 0.000 0.000) 0.000 7.909 ( 0.000 0.000 0.000) 0.000 8.072 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/196) =======================q-point: ( 0.10 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 350Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.335 ( 15.528 -8.520 11.062) 20.883 0.474 ( 22.734 -3.337 -3.816) 23.292 0.791 ( 38.942 -9.498 9.610) 41.220 0.927 ( 14.938 0.954 9.077) 17.505 1.544 ( 8.057 0.402 3.253) 8.698 1.994 ( -0.842 7.430 -3.850) 8.410 2.081 ( -5.045 -4.408 -7.077) 9.745 2.320 ( 14.149 -0.180 -0.751) 14.170 2.399 ( 6.953 -0.485 -2.187) 7.305 2.662 ( 7.064 8.536 6.818) 13.010 2.762 ( -3.107 -3.929 5.194) 7.216 2.842 ( -4.485 -3.252 -0.490) 5.562 2.973 ( 1.286 0.423 -2.304) 2.672 3.408 ( -3.038 2.895 -0.602) 4.240 3.455 ( -1.580 -0.144 -0.162) 1.595 3.549 ( 0.254 4.022 2.664) 4.831 3.879 ( -2.533 2.392 1.566) 3.820 3.974 ( -5.243 1.069 3.851) 6.592 4.132 ( 3.311 6.726 -13.487) 15.431 4.190 ( 0.783 -1.606 -8.407) 8.595 4.245 ( -0.161 -5.188 -7.875) 9.432 4.530 ( 0.476 5.766 8.118) 9.969 4.566 ( -0.944 0.689 -3.416) 3.610 4.704 ( 1.054 0.871 -9.224) 9.325 4.725 ( 4.168 -2.051 4.554) 6.506 4.857 ( -0.938 -0.505 2.472) 2.691 5.059 ( 2.995 9.512 -16.726) 19.473 5.424 ( -8.731 -0.915 -4.099) 9.689 5.629 ( -1.051 5.393 -3.937) 6.760 5.713 ( 0.103 -2.237 -1.077) 2.485 5.799 ( 2.849 4.363 -2.967) 5.997 5.875 ( -0.968 -8.896 -8.098) 12.069 5.942 ( -2.700 1.710 -1.705) 3.622 6.275 ( -1.822 -1.320 -0.570) 2.321 6.465 ( -1.349 1.850 41.467) 41.530 6.629 ( 2.241 1.108 4.038) 4.749 6.959 ( 5.381 15.247 -3.109) 16.465 7.387 ( 1.124 12.991 -1.906) 13.178 7.515 ( 2.305 -3.741 3.626) 5.698 7.565 ( 0.108 -1.017 0.601) 1.186 7.888 ( -2.081 0.232 -1.018) 2.329 8.181 ( -13.182 -38.694 -0.732) 40.884======================= Grid point 2 (3/196) =======================q-point: ( 0.20 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 352Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.675 ( 15.565 -6.982 11.606) 20.633 0.831 ( 14.747 -2.588 0.785) 14.993 1.281 ( 22.258 -0.278 -0.259) 22.261 1.528 ( 34.660 -7.375 8.022) 36.332 1.683 ( 4.779 1.067 4.104) 6.389 1.891 ( -3.616 6.661 -4.301) 8.715 2.056 ( -1.218 -5.863 -3.451) 6.912 2.466 ( 3.270 3.350 -5.796) 7.450 2.643 ( 15.000 1.052 -5.634) 16.058 2.688 ( 1.566 -1.065 4.738) 5.102 2.747 ( -7.756 -2.740 4.841) 9.544 2.874 ( 11.706 1.222 5.877) 13.155 3.022 ( 5.427 -0.511 -2.057) 5.826 3.322 ( -3.436 7.274 0.986) 8.105 3.421 ( -2.868 -1.395 -0.746) 3.275 3.502 ( -2.988 3.176 3.200) 5.409 3.825 ( -1.864 1.544 2.719) 3.640 3.898 ( -3.666 -1.883 3.395) 5.339 4.094 ( -2.396 3.808 -6.115) 7.591 4.149 ( -4.264 -1.066 -6.077) 7.500 4.315 ( 5.465 -1.682 0.049) 5.718 4.508 ( -1.292 3.884 5.062) 6.509 4.553 ( -0.246 4.133 -5.657) 7.010 4.693 ( -0.314 0.801 -13.534) 13.562 4.830 ( 5.098 -3.828 5.756) 8.590 4.859 ( 0.570 -1.477 6.612) 6.799 5.063 ( 1.796 -0.206 -8.250) 8.446 5.216 ( -12.188 0.135 -7.112) 14.112 5.594 ( -0.405 5.821 -4.369) 7.290 5.685 ( -4.152 -1.670 -4.494) 6.342 5.812 ( 0.497 2.784 0.176) 2.834 5.863 ( -1.683 1.982 -1.461) 2.982 5.915 ( 0.086 -3.988 -4.312) 5.874 6.236 ( -3.294 -2.168 -0.914) 4.048 6.478 ( 0.040 -1.019 18.729) 18.757 6.676 ( 2.913 1.275 4.600) 5.593 6.982 ( 3.701 7.182 -1.770) 8.271 7.349 ( 0.566 6.733 -0.510) 6.776 7.557 ( -0.547 -1.130 1.490) 1.948 7.582 ( 0.714 -4.304 4.714) 6.423 7.835 ( -3.086 0.294 -1.809) 3.589 8.128 ( -7.985 -15.686 -1.013) 17.630======================= Grid point 3 (4/196) =======================q-point: ( 0.30 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 350Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.956 ( 10.319 -0.509 7.983) 13.057 1.091 ( 12.440 -6.817 4.808) 14.978 1.645 ( -7.207 1.587 1.413) 7.513 1.696 ( 22.065 -0.082 -3.804) 22.391 1.805 ( -0.049 4.042 -2.925) 4.989 2.068 ( 1.940 -3.600 -2.458) 4.772 2.162 ( 23.082 -4.996 7.678) 24.833 2.501 ( 2.345 2.164 -6.729) 7.447 2.607 ( -6.301 -5.218 2.763) 8.635 2.683 ( 2.190 -1.473 0.464) 2.680 2.919 ( 11.109 7.149 -3.687) 13.716 3.062 ( 7.508 1.886 2.488) 8.132 3.134 ( 2.652 4.619 4.196) 6.780 3.234 ( -5.750 -2.018 3.297) 6.928 3.329 ( -0.055 4.275 0.420) 4.296 3.494 ( 1.711 -1.921 1.465) 2.960 3.811 ( 0.407 -0.653 2.369) 2.491 3.861 ( -1.558 -1.930 2.043) 3.214 3.992 ( -4.464 0.021 -1.853) 4.833 4.141 ( 2.205 -0.141 -3.814) 4.407 4.368 ( -2.039 3.486 0.853) 4.127 4.459 ( -3.031 5.558 -1.575) 6.524 4.496 ( 0.455 2.019 -2.164) 2.995 4.672 ( -1.064 -1.628 -11.618) 11.780 4.894 ( 0.833 -1.579 3.292) 3.745 4.961 ( 5.396 -3.772 9.490) 11.550 5.001 ( -8.425 -0.404 -4.910) 9.760 5.116 ( 3.256 -3.518 -6.251) 7.878 5.527 ( -3.226 4.775 -2.870) 6.437 5.586 ( -6.567 -1.264 -5.319) 8.545 5.774 ( -1.498 3.624 0.396) 3.941 5.850 ( 1.980 7.758 -0.998) 8.069 5.931 ( -1.255 -6.105 -2.852) 6.854 6.184 ( -3.293 -2.525 -0.996) 4.268 6.513 ( 1.200 -2.486 9.205) 9.610 6.726 ( 2.606 0.849 3.162) 4.185 7.011 ( 2.814 4.130 -0.977) 5.092 7.333 ( 0.376 3.234 -0.269) 3.267 7.533 ( -2.646 -1.481 1.021) 3.200 7.617 ( 0.290 -2.800 4.952) 5.697 7.776 ( -2.892 0.084 -1.714) 3.362 8.062 ( -5.129 -6.343 -0.992) 8.218======================= Grid point 4 (5/196) =======================q-point: ( 0.40 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 352Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.100 ( 6.808 1.750 2.010) 7.311 1.307 ( 1.991 -4.419 5.484) 7.319 1.537 ( 0.602 -1.121 3.066) 3.319 1.764 ( -2.657 -0.433 -3.541) 4.449 2.021 ( 0.854 1.910 -1.258) 2.441 2.101 ( 14.568 -0.724 -5.708) 15.664 2.384 ( 0.181 -0.338 3.646) 3.666 2.522 ( 0.525 1.590 -3.176) 3.590 2.709 ( 7.921 0.329 5.238) 9.502 2.751 ( 6.242 -7.729 -2.164) 10.168 2.995 ( -0.379 4.821 -7.464) 8.894 3.056 ( -7.290 -0.980 5.663) 9.283 3.106 ( -1.561 2.232 4.938) 5.639 3.127 ( 2.940 6.393 1.145) 7.129 3.443 ( 5.528 -0.803 0.492) 5.607 3.524 ( -0.153 -1.615 1.757) 2.392 3.844 ( 1.843 -0.950 1.669) 2.662 3.875 ( 2.492 -1.353 2.054) 3.502 3.999 ( 4.164 -3.898 -3.100) 6.491 4.173 ( -0.350 0.007 0.670) 0.756 4.249 ( -5.780 4.666 -0.412) 7.439 4.333 ( -5.167 5.211 -4.864) 8.804 4.545 ( 3.587 2.668 4.751) 6.524 4.642 ( -2.476 -3.445 -9.241) 10.169 4.808 ( -6.020 -0.369 -6.064) 8.552 4.988 ( 2.651 -0.369 3.634) 4.513 5.093 ( 4.822 -3.691 9.595) 11.355 5.199 ( 4.011 -3.708 -4.364) 6.992 5.433 ( -4.244 3.384 -0.366) 5.441 5.468 ( -5.544 -0.108 -5.694) 7.948 5.735 ( -1.035 2.209 0.730) 2.547 5.836 ( 1.235 7.954 -2.101) 8.319 5.924 ( -2.228 -5.090 -0.739) 5.605 6.151 ( -1.434 -1.826 -0.700) 2.425 6.555 ( 1.162 -1.990 3.650) 4.317 6.764 ( 1.550 0.499 1.488) 2.206 7.039 ( 1.870 1.571 -0.441) 2.482 7.322 ( -0.100 1.692 -0.232) 1.711 7.489 ( -2.663 -1.324 0.594) 3.033 7.634 ( 0.160 -1.089 2.845) 3.051 7.730 ( -1.853 -0.061 -0.723) 1.990 8.014 ( -2.356 -1.914 -0.646) 3.103======================= Grid point 5 (6/196) =======================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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 176Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.208 ( 0.000 0.000 -0.000) 0.000 1.240 ( -0.000 -0.000 0.000) 0.000 1.656 ( -0.000 -0.000 -0.000) 0.000 1.687 ( 0.000 -0.000 0.000) 0.000 1.981 ( 0.000 -0.000 0.000) 0.000 2.326 ( 0.000 -0.000 0.000) 0.000 2.369 ( 0.000 -0.000 -0.000) 0.000 2.486 ( 0.000 0.000 0.000) 0.000 2.743 ( 0.000 -0.000 -0.000) 0.000 2.873 ( 0.000 -0.000 0.000) 0.000 2.914 ( 0.000 -0.000 0.000) 0.000 3.057 ( 0.000 0.000 -0.000) 0.000 3.106 ( -0.000 0.000 -0.000) 0.000 3.108 ( 0.000 -0.000 0.000) 0.000 3.484 ( 0.000 -0.000 0.000) 0.000 3.528 ( 0.000 -0.000 -0.000) 0.000 3.865 ( 0.000 -0.000 0.000) 0.000 3.950 ( 0.000 -0.000 0.000) 0.000 4.092 ( 0.000 -0.000 -0.000) 0.000 4.100 ( 0.000 -0.000 0.000) 0.000 4.178 ( 0.000 0.000 0.000) 0.000 4.266 ( 0.000 -0.000 -0.000) 0.000 4.584 ( 0.000 -0.000 -0.000) 0.000 4.613 ( 0.000 0.000 0.000) 0.000 4.747 ( 0.000 -0.000 0.000) 0.000 5.020 ( 0.000 -0.000 -0.000) 0.000 5.163 ( 0.000 -0.000 -0.000) 0.000 5.264 ( 0.000 0.000 0.000) 0.000 5.365 ( 0.000 -0.000 0.000) 0.000 5.404 ( 0.000 0.000 0.000) 0.000 5.719 ( 0.000 -0.000 -0.000) 0.000 5.822 ( 0.000 0.000 0.000) 0.000 5.915 ( 0.000 -0.000 0.000) 0.000 6.144 ( 0.000 0.000 0.000) 0.000 6.574 ( 0.000 -0.000 -0.000) 0.000 6.777 ( 0.000 -0.000 -0.000) 0.000 7.054 ( 0.000 -0.000 0.000) 0.000 7.316 ( 0.000 -0.000 0.000) 0.000 7.465 ( 0.000 0.000 0.000) 0.000 7.640 ( 0.000 -0.000 0.000) 0.000 7.713 ( 0.000 -0.000 0.000) 0.000 7.997 ( 0.000 -0.000 0.000) 0.000======================= Grid point 12 (7/196) =======================q-point: ( 0.10 0.10 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 195Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.636 ( 17.301 0.000 13.423) 21.898 0.816 ( 14.918 0.000 1.368) 14.981 1.279 ( 22.028 0.000 1.370) 22.070 1.489 ( 36.899 0.000 6.393) 37.449 1.688 ( 4.560 0.000 4.004) 6.068 1.939 ( -5.674 -0.000 -6.170) 8.382 2.014 ( 0.067 0.000 -2.664) 2.665 2.486 ( 3.043 0.000 -5.554) 6.333 2.648 ( 13.048 0.000 -5.272) 14.073 2.680 ( 3.190 0.000 3.416) 4.674 2.732 ( -7.018 -0.000 5.270) 8.776 2.881 ( 12.628 0.000 7.975) 14.936 3.016 ( 4.169 0.000 -2.695) 4.964 3.385 ( -5.817 -0.000 1.553) 6.021 3.392 ( 0.555 0.000 -1.043) 1.181 3.519 ( -4.600 -0.000 3.768) 5.947 3.832 ( -2.889 -0.000 2.643) 3.916 3.887 ( -4.019 -0.000 3.807) 5.536 4.132 ( -7.479 -0.000 -2.260) 7.813 4.133 ( -0.208 -0.000 -13.251) 13.252 4.303 ( 7.404 0.000 1.631) 7.581 4.529 ( -2.786 -0.000 5.688) 6.333 4.577 ( 0.864 0.000 -6.145) 6.205 4.699 ( -1.243 -0.000 -13.326) 13.384 4.806 ( 5.004 0.000 4.242) 6.560 4.852 ( 0.876 0.000 7.471) 7.522 5.063 ( 0.244 0.000 -10.793) 10.796 5.216 ( -12.271 -0.000 -6.485) 13.880 5.630 ( -1.264 -0.000 -2.703) 2.984 5.676 ( -3.932 -0.000 -4.277) 5.810 5.823 ( 0.698 0.000 -2.767) 2.854 5.871 ( 1.739 0.000 0.056) 1.740 5.896 ( -2.082 -0.000 -3.572) 4.135 6.223 ( -3.261 -0.000 -0.979) 3.405 6.472 ( -0.548 -0.000 19.237) 19.245 6.683 ( 2.677 0.000 4.366) 5.121 7.025 ( 1.514 0.000 -1.773) 2.331 7.410 ( -2.491 -0.000 -0.151) 2.495 7.535 ( 2.541 0.000 5.911) 6.434 7.554 ( -1.151 -0.000 1.023) 1.540 7.839 ( -3.176 -0.000 -1.787) 3.644 8.031 ( -1.547 -0.000 -1.278) 2.007======================= Grid point 13 (8/196) =======================q-point: ( 0.20 0.10 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 350Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.958 ( 14.923 0.717 12.638) 19.569 1.034 ( 9.452 -3.429 2.675) 10.405 1.657 ( -7.001 0.584 0.672) 7.057 1.694 ( 22.451 -0.169 -2.580) 22.600 1.835 ( -3.895 1.512 -4.966) 6.490 2.048 ( 3.126 -0.532 -0.913) 3.299 2.122 ( 28.505 -2.268 6.313) 29.284 2.519 ( 1.598 1.061 -6.348) 6.631 2.558 ( -8.429 -2.953 0.303) 8.936 2.680 ( 2.759 0.121 3.172) 4.206 2.983 ( 13.884 3.950 -3.735) 14.910 3.084 ( 6.693 2.657 2.850) 7.745 3.124 ( 5.521 -4.091 1.812) 7.107 3.235 ( -10.019 0.783 3.270) 10.568 3.392 ( -0.984 6.925 2.818) 7.541 3.459 ( 0.892 -4.821 2.785) 5.639 3.800 ( -0.761 -0.913 2.394) 2.673 3.846 ( -0.805 -0.859 1.823) 2.170 3.990 ( -6.183 -0.209 -2.806) 6.793 4.148 ( 2.585 0.781 -5.193) 5.853 4.414 ( 0.248 5.093 1.451) 5.302 4.464 ( -0.124 -3.495 1.209) 3.700 4.537 ( -3.684 4.370 -4.515) 7.284 4.645 ( -3.284 -2.862 -11.403) 12.207 4.894 ( 2.767 1.376 1.069) 3.270 4.926 ( 5.232 -2.817 8.717) 10.550 5.002 ( -8.323 0.233 -3.291) 8.954 5.087 ( 2.648 -1.703 -6.671) 7.376 5.564 ( -4.637 2.083 -2.718) 5.764 5.575 ( -5.932 -0.688 -4.345) 7.386 5.812 ( -1.391 3.380 -0.133) 3.657 5.872 ( -1.964 -4.434 -2.771) 5.585 5.913 ( 3.634 3.381 0.331) 4.975 6.161 ( -3.543 -1.479 -1.591) 4.156 6.494 ( 1.205 -1.024 9.351) 9.484 6.732 ( 2.347 0.301 3.021) 3.838 7.046 ( 1.547 1.918 -1.661) 2.972 7.361 ( -1.892 1.646 0.192) 2.515 7.523 ( -2.294 -0.314 1.158) 2.589 7.588 ( 1.663 -1.946 5.479) 6.048 7.777 ( -3.108 0.088 -1.703) 3.545 8.012 ( -1.645 -2.681 -1.304) 3.405======================= Grid point 14 (9/196) =======================q-point: ( 0.30 0.10 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 350Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.124 ( 6.541 2.763 1.703) 7.302 1.258 ( 6.440 -4.460 8.078) 11.253 1.528 ( -2.798 -0.628 2.099) 3.553 1.759 ( -3.803 -0.413 -5.140) 6.407 2.043 ( 3.827 2.215 -0.498) 4.450 2.088 ( 12.977 -1.578 -3.802) 13.614 2.402 ( -0.298 3.294 1.576) 3.664 2.532 ( -0.623 0.134 -2.579) 2.657 2.632 ( 14.992 -8.686 3.731) 17.723 2.752 ( 4.169 2.399 1.337) 4.992 3.023 ( -11.056 -0.333 -0.707) 11.084 3.070 ( -0.662 4.517 0.287) 4.574 3.118 ( -2.869 0.600 2.545) 3.882 3.184 ( 3.614 2.300 -3.151) 5.318 3.437 ( 4.622 0.511 3.096) 5.587 3.511 ( 1.239 -1.140 5.576) 5.825 3.830 ( 3.343 -1.478 1.621) 3.998 3.863 ( 1.184 -0.711 1.366) 1.942 3.960 ( 3.339 -2.898 -4.319) 6.181 4.173 ( -0.998 0.006 -0.948) 1.376 4.299 ( -4.709 4.261 -1.182) 6.460 4.394 ( -6.822 5.890 -4.853) 10.237 4.558 ( 4.093 0.103 6.215) 7.442 4.593 ( -3.499 -5.323 -9.144) 11.144 4.806 ( -5.911 -0.060 -7.053) 9.203 5.006 ( 4.468 3.262 2.387) 6.025 5.061 ( 6.195 -2.208 10.839) 12.678 5.157 ( 3.645 -4.193 -4.339) 7.049 5.447 ( -6.324 -0.208 -2.379) 6.760 5.481 ( -3.813 2.196 -2.978) 5.313 5.757 ( -2.580 1.991 1.288) 3.504 5.838 ( -4.234 -4.502 -1.550) 6.371 5.952 ( 3.296 6.974 -0.338) 7.721 6.123 ( -1.422 -3.165 -0.894) 3.583 6.538 ( 2.037 -1.212 3.148) 3.940 6.768 ( 1.365 0.275 1.328) 1.924 7.062 ( 1.651 2.291 -0.939) 2.976 7.321 ( -2.619 -1.431 -0.323) 3.002 7.485 ( -1.477 0.438 0.988) 1.830 7.624 ( 1.087 -0.662 3.219) 3.461 7.729 ( -1.933 -0.156 -0.644) 2.044 7.997 ( -0.893 -1.203 -0.962) 1.780======================= Grid point 15 (10/196) =======================q-point: ( 0.40 0.10 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 350Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.209 ( -4.559 0.111 1.006) 4.670 1.242 ( 4.081 0.358 -1.376) 4.321 1.653 ( 6.762 -0.494 4.223) 7.988 1.682 ( -1.888 -0.781 -2.787) 3.455 1.986 ( -3.525 0.820 -0.555) 3.662 2.321 ( 2.374 -0.768 -0.240) 2.507 2.385 ( 0.602 2.760 0.754) 2.924 2.478 ( -2.634 -1.501 0.674) 3.106 2.761 ( -1.353 2.907 0.545) 3.252 2.849 ( 3.512 -3.889 0.697) 5.286 2.902 ( -0.824 -1.572 4.029) 4.403 3.052 ( -1.741 -0.750 -1.821) 2.628 3.066 ( -0.712 -2.670 -0.092) 2.765 3.176 ( -1.406 6.799 -6.446) 9.474 3.469 ( -1.078 -1.994 -1.013) 2.482 3.541 ( 1.601 1.564 6.418) 6.797 3.864 ( -0.011 -0.102 -0.185) 0.211 3.945 ( 3.254 -0.734 -1.179) 3.538 4.071 ( 5.335 -2.609 -1.860) 6.223 4.095 ( -2.448 -0.760 0.111) 2.566 4.208 ( -6.556 4.383 0.114) 7.887 4.275 ( -0.798 1.347 -1.157) 1.946 4.546 ( -3.272 -4.870 -5.801) 8.250 4.628 ( 2.606 1.075 6.304) 6.906 4.748 ( 0.307 0.056 -0.479) 0.571 5.046 ( 1.815 4.740 -2.077) 5.485 5.169 ( 2.463 0.827 3.372) 4.257 5.240 ( 2.733 -4.109 -1.287) 5.100 5.364 ( -1.988 -0.582 1.284) 2.437 5.411 ( -1.466 1.529 -0.444) 2.164 5.713 ( -1.984 -1.503 1.872) 3.115 5.777 ( -4.442 -4.879 -0.090) 6.599 5.970 ( 3.179 7.212 -0.131) 7.882 6.133 ( 0.602 -2.016 0.124) 2.108 6.575 ( 1.294 0.108 -0.713) 1.481 6.777 ( -0.315 -0.007 -0.314) 0.445 7.072 ( 0.526 3.262 -0.030) 3.304 7.284 ( -2.687 -5.229 -0.730) 5.924 7.478 ( 1.314 1.833 0.565) 2.325 7.642 ( 0.612 0.370 0.056) 0.718 7.711 ( -0.039 -0.209 0.468) 0.514 7.997 ( 0.829 0.013 -0.340) 0.896======================= Grid point 16 (11/196) =======================q-point: (-0.50 0.10 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 350Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.088 ( -6.386 -0.513 -0.580) 6.432 1.347 ( 2.956 3.091 -4.068) 5.903 1.550 ( -4.319 1.240 -4.540) 6.388 1.767 ( -0.324 0.104 1.014) 1.070 2.005 ( 4.120 -1.175 3.194) 5.344 2.104 ( -16.613 -0.023 7.305) 18.149 2.410 ( 1.044 4.331 -4.046) 6.018 2.498 ( -0.699 -2.836 3.304) 4.409 2.697 ( -5.080 0.027 -2.257) 5.559 2.824 ( -6.420 2.538 1.584) 7.083 2.951 ( -0.877 -3.894 4.477) 5.999 3.016 ( -3.716 -6.340 -1.904) 7.591 3.089 ( 6.469 1.580 -8.996) 11.192 3.116 ( -0.777 1.925 -2.466) 3.223 3.435 ( -4.999 -2.519 -0.618) 5.631 3.549 ( -0.062 2.841 3.290) 4.347 3.851 ( -1.035 0.571 -1.580) 1.973 3.886 ( -3.794 0.556 -2.935) 4.829 4.035 ( -5.976 2.790 0.322) 6.604 4.173 ( 1.665 0.021 -1.797) 2.450 4.208 ( 7.905 -3.161 0.185) 8.515 4.292 ( 2.608 -2.354 5.453) 6.486 4.506 ( -3.371 -4.271 -3.428) 6.431 4.663 ( 1.123 0.632 7.763) 7.869 4.813 ( 6.243 0.451 6.019) 8.683 5.012 ( -2.310 3.589 -5.962) 7.332 5.136 ( -2.829 4.328 -7.364) 8.998 5.239 ( -3.073 4.156 4.633) 6.942 5.389 ( 3.022 -4.661 -0.453) 5.573 5.468 ( 5.923 -0.627 6.649) 8.927 5.708 ( -0.254 -3.579 1.925) 4.071 5.742 ( -2.773 -7.684 1.335) 8.278 5.993 ( 2.986 6.789 1.001) 7.484 6.161 ( 1.956 0.117 0.699) 2.080 6.577 ( -0.235 2.000 -4.037) 4.512 6.758 ( -1.827 -0.589 -1.729) 2.583 7.034 ( -3.167 0.686 -0.260) 3.251 7.286 ( -0.381 -4.711 0.288) 4.735 7.510 ( 2.961 2.201 -0.192) 3.695 7.646 ( 0.520 1.189 -2.758) 3.048 7.730 ( 1.827 -0.103 1.132) 2.152 8.034 ( 4.044 1.856 0.266) 4.458======================= Grid point 17 (12/196) =======================q-point: (-0.40 0.10 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 350Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.968 ( -7.158 1.529 -3.402) 8.072 1.172 ( -13.163 8.471 -5.668) 16.648 1.626 ( 7.628 -2.027 -2.524) 8.287 1.690 ( -18.307 -1.677 3.225) 18.664 1.758 ( -7.835 -4.335 3.409) 9.582 2.120 ( 2.960 5.909 4.004) 7.727 2.228 ( -19.358 7.803 -9.819) 23.066 2.475 ( -3.489 -2.657 7.271) 8.491 2.634 ( 3.445 0.170 -4.724) 5.849 2.729 ( -1.248 5.374 0.421) 5.533 2.849 ( -9.852 -4.981 4.852) 12.059 3.026 ( -3.122 -8.832 -5.122) 10.676 3.060 ( -4.704 -3.466 -3.166) 6.646 3.267 ( 8.419 2.805 -2.778) 9.299 3.299 ( -6.156 -1.818 1.110) 6.514 3.504 ( -4.070 0.225 0.683) 4.133 3.805 ( -2.718 -1.812 -2.560) 4.151 3.881 ( 2.678 1.737 -1.864) 3.696 3.992 ( 2.848 0.256 -0.905) 2.999 4.161 ( -0.735 3.562 3.470) 5.026 4.340 ( 3.619 -1.984 -0.694) 4.186 4.391 ( 3.859 -6.402 3.560) 8.279 4.464 ( -2.775 -4.107 0.539) 4.986 4.679 ( -0.112 -0.112 10.473) 10.474 4.918 ( -0.385 2.385 -3.679) 4.401 4.985 ( 4.438 0.141 -2.200) 4.955 5.033 ( -1.540 6.073 -2.094) 6.606 5.158 ( -3.327 4.474 5.260) 7.664 5.470 ( 2.126 -5.752 2.907) 6.786 5.597 ( 6.737 0.281 5.972) 9.007 5.736 ( 0.872 -3.563 -0.173) 3.672 5.763 ( 0.265 -8.100 2.949) 8.624 5.996 ( 0.684 5.996 2.701) 6.612 6.208 ( 3.623 1.961 0.618) 4.166 6.541 ( -1.445 2.676 -8.949) 9.452 6.715 ( -3.046 -1.166 -3.356) 4.680 6.968 ( -4.661 -3.775 0.120) 5.999 7.299 ( -0.800 -3.116 0.971) 3.361 7.551 ( 2.548 1.900 -0.811) 3.280 7.641 ( -0.035 1.795 -4.648) 4.983 7.776 ( 2.965 0.129 1.926) 3.538 8.134 ( 9.305 6.682 0.558) 11.469======================= Grid point 18 (13/196) =======================q-point: (-0.30 0.10 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 350Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.767 ( -11.573 9.121 -6.816) 16.236 0.868 ( -15.274 5.072 -1.449) 16.159 1.284 ( -22.794 0.434 4.005) 23.147 1.630 ( -23.760 8.092 -6.250) 25.867 1.666 ( -7.885 0.203 -7.877) 11.148 1.826 ( -0.595 -4.231 0.894) 4.365 2.124 ( 1.447 7.100 3.189) 7.916 2.424 ( -3.878 -4.255 6.376) 8.590 2.630 ( -14.936 -1.211 6.042) 16.158 2.690 ( -1.047 -1.328 -6.489) 6.706 2.785 ( 6.852 3.997 -5.515) 9.661 2.864 ( -8.842 -0.170 -2.234) 9.122 3.010 ( -6.672 -3.551 2.200) 7.872 3.250 ( 3.573 -5.553 -0.037) 6.603 3.422 ( 0.801 -1.407 0.940) 1.872 3.455 ( 1.661 -4.920 -2.203) 5.640 3.795 ( 0.314 -3.869 -2.921) 4.858 3.924 ( 3.097 3.123 -2.560) 5.089 4.071 ( 3.541 -0.391 1.005) 3.702 4.162 ( 2.770 1.763 6.548) 7.325 4.329 ( -3.353 0.761 1.429) 3.723 4.453 ( -0.522 -6.079 -4.528) 7.598 4.499 ( 1.650 -5.748 5.032) 7.816 4.685 ( -0.538 -0.812 12.649) 12.687 4.868 ( -4.124 2.494 -7.563) 8.968 4.885 ( -2.785 3.736 -4.917) 6.775 5.074 ( -3.874 2.192 3.202) 5.483 5.212 ( 11.679 -0.557 8.075) 14.210 5.528 ( 0.457 -6.019 6.302) 8.726 5.705 ( 4.769 1.668 4.867) 7.015 5.766 ( -0.604 -5.439 -0.614) 5.507 5.837 ( 4.099 -2.548 2.625) 5.494 5.967 ( -0.523 5.302 4.027) 6.678 6.263 ( 3.386 2.800 0.823) 4.470 6.488 ( -1.866 0.622 -17.732) 17.841 6.657 ( -3.675 -2.272 -4.916) 6.544 6.903 ( -5.808 -6.757 2.135) 9.162 7.299 ( -0.743 -3.111 1.527) 3.544 7.572 ( 0.544 1.626 -1.512) 2.286 7.611 ( -1.732 1.499 -4.311) 4.882 7.837 ( 3.412 0.478 1.838) 3.905 8.303 ( 15.680 15.808 0.666) 22.276======================= Grid point 19 (14/196) =======================q-point: (-0.20 0.10 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 350Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.472 ( -11.737 15.417 -4.869) 19.979 0.520 ( -21.117 4.622 6.541) 22.585 0.910 ( -16.934 -1.753 -5.929) 18.027 0.981 ( -29.016 25.010 -11.648) 40.039 1.533 ( -7.762 -2.130 -2.619) 8.464 1.895 ( 0.253 -10.136 2.822) 10.525 2.136 ( 2.635 5.953 3.738) 7.507 2.327 ( -13.399 1.020 1.578) 13.531 2.395 ( -3.328 -1.828 3.245) 4.994 2.583 ( -11.953 -4.798 -4.448) 13.626 2.792 ( 2.553 1.740 -4.919) 5.809 2.880 ( 4.675 2.771 1.643) 5.678 2.958 ( -0.826 -2.431 0.961) 2.742 3.368 ( 3.988 -4.542 0.497) 6.065 3.405 ( -4.257 -9.791 1.803) 10.828 3.513 ( 0.449 -1.089 -0.885) 1.474 3.840 ( 2.152 -4.045 -2.197) 5.082 3.959 ( 1.576 -0.655 -0.871) 1.916 4.102 ( -0.793 0.602 5.515) 5.604 4.193 ( -0.425 -0.194 3.458) 3.489 4.295 ( 0.450 3.303 9.232) 9.815 4.449 ( -3.629 -8.120 -7.335) 11.528 4.543 ( 1.051 -3.443 3.059) 4.724 4.690 ( -1.011 -1.676 9.170) 9.376 4.748 ( -5.099 1.780 -4.717) 7.170 4.864 ( 0.175 0.520 -2.648) 2.705 4.973 ( -8.777 -3.377 2.471) 9.724 5.425 ( 9.508 -0.959 5.003) 10.786 5.571 ( 0.722 -4.562 7.262) 8.607 5.744 ( 0.318 2.918 0.449) 2.969 5.771 ( -0.844 -1.293 2.819) 3.214 5.910 ( 0.782 -2.883 0.766) 3.084 5.960 ( 3.960 5.927 7.232) 10.155 6.294 ( 0.846 1.713 1.118) 2.213 6.432 ( -3.028 -3.909 -32.984) 33.353 6.604 ( -2.950 -3.421 -4.132) 6.122 6.818 ( -8.470 -7.544 6.899) 13.276 7.318 ( 1.033 -2.705 2.836) 4.053 7.527 ( -4.323 0.032 -4.185) 6.017 7.582 ( -0.178 2.094 -0.531) 2.167 7.891 ( 2.405 0.642 0.961) 2.668 8.571 ( 28.405 27.993 0.895) 39.890======================= Grid point 20 (15/196) =======================q-point: (-0.10 0.10 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 195Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.132 ( -0.000 11.797 -0.000) 11.797 0.224 ( -0.000 20.963 -0.000) 20.963 0.446 ( -0.000 42.107 -0.000) 42.107 0.721 ( 0.000 -2.509 0.000) 2.509 1.455 ( 0.000 -0.725 0.000) 0.725 1.927 ( 0.000 -9.705 0.000) 9.705 2.124 ( -0.000 1.909 -0.000) 1.909 2.235 ( -0.000 7.011 -0.000) 7.011 2.258 ( -0.000 3.819 -0.000) 3.819 2.435 ( 0.000 -2.533 0.000) 2.533 2.792 ( -0.000 1.979 -0.000) 1.979 2.953 ( 0.000 -0.379 0.000) 0.379 3.101 ( 0.000 -10.392 0.000) 10.392 3.194 ( -0.000 0.058 -0.000) 0.058 3.441 ( 0.000 -1.471 0.000) 1.471 3.491 ( -0.000 2.999 -0.000) 2.999 3.901 ( 0.000 -1.839 0.000) 1.839 3.913 ( -0.000 0.606 -0.000) 0.606 4.093 ( -0.000 1.026 -0.000) 1.026 4.197 ( 0.000 -0.390 0.000) 0.390 4.325 ( 0.000 -1.975 0.000) 1.975 4.327 ( -0.000 1.540 -0.000) 1.540 4.611 ( 0.000 -4.662 0.000) 4.662 4.650 ( 0.000 -0.747 0.000) 0.747 4.698 ( 0.000 -0.083 0.000) 0.083 4.807 ( -0.000 5.540 -0.000) 5.540 4.867 ( -0.000 0.056 -0.000) 0.056 5.569 ( 0.000 -1.580 0.000) 1.580 5.578 ( 0.000 -4.062 0.000) 4.062 5.732 ( -0.000 5.369 -0.000) 5.369 5.735 ( -0.000 1.120 -0.000) 1.120 5.937 ( 0.000 -4.339 0.000) 4.339 6.027 ( -0.000 3.704 -0.000) 3.704 6.264 ( 0.000 -3.766 0.000) 3.766 6.353 ( -0.000 2.353 -0.000) 2.353 6.588 ( 0.000 -3.099 0.000) 3.099 6.709 ( -0.000 2.433 -0.000) 2.433 7.352 ( 0.000 -0.579 0.000) 0.579 7.458 ( 0.000 -0.076 0.000) 0.076 7.570 ( -0.000 1.798 -0.000) 1.798 7.911 ( -0.000 0.512 -0.000) 0.512 9.063 ( 0.000 -0.417 0.000) 0.417======================= Grid point 23 (16/196) =======================q-point: ( 0.20 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.145 ( 5.423 0.000 -0.456) 5.442 1.229 ( 9.055 0.000 11.100) 14.325 1.524 ( -4.051 -0.000 1.777) 4.424 1.757 ( -4.064 -0.000 -5.621) 6.936 2.063 ( -1.271 -0.000 -0.209) 1.288 2.072 ( 18.406 0.000 -3.154) 18.674 2.431 ( -3.192 -0.000 -1.093) 3.374 2.524 ( 0.790 0.000 0.514) 0.942 2.583 ( 16.900 0.000 2.557) 17.092 2.766 ( 5.291 0.000 2.245) 5.747 3.019 ( -11.809 -0.000 1.532) 11.908 3.108 ( -4.846 -0.000 0.593) 4.882 3.117 ( -2.865 -0.000 0.893) 3.001 3.186 ( 6.908 0.000 -6.902) 9.765 3.447 ( 3.048 0.000 5.190) 6.019 3.502 ( 2.610 0.000 6.817) 7.300 3.821 ( 3.945 0.000 1.419) 4.192 3.860 ( 0.703 0.000 1.200) 1.390 3.944 ( 3.251 0.000 -4.683) 5.701 4.173 ( -1.372 -0.000 -1.545) 2.066 4.325 ( -4.946 -0.000 -1.709) 5.233 4.435 ( -7.915 -0.000 -4.988) 9.355 4.555 ( -3.538 -0.000 -8.460) 9.170 4.557 ( 4.995 0.000 6.422) 8.136 4.806 ( -5.992 -0.000 -7.583) 9.664 5.041 ( 7.159 0.000 9.645) 12.011 5.041 ( 5.583 0.000 3.684) 6.689 5.128 ( 2.675 0.000 -4.337) 5.096 5.445 ( -6.551 -0.000 -2.881) 7.157 5.495 ( -3.681 -0.000 -2.014) 4.197 5.772 ( -4.330 -0.000 0.836) 4.410 5.806 ( -3.092 -0.000 -0.884) 3.216 5.998 ( 3.950 0.000 0.250) 3.958 6.099 ( -2.097 -0.000 -1.364) 2.502 6.531 ( 2.402 0.000 2.915) 3.777 6.769 ( 1.301 0.000 1.272) 1.820 7.076 ( 1.882 0.000 -1.171) 2.216 7.310 ( -4.009 -0.000 -0.262) 4.018 7.489 ( -1.043 -0.000 1.061) 1.488 7.621 ( 1.581 0.000 3.459) 3.803 7.728 ( -1.973 -0.000 -0.683) 2.088 7.990 ( -0.315 -0.000 -1.082) 1.127======================= Grid point 24 (17/196) =======================q-point: ( 0.30 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 350Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.210 ( -6.941 0.073 1.699) 7.146 1.246 ( 6.122 0.221 -2.369) 6.568 1.648 ( 11.960 -0.272 7.972) 14.376 1.674 ( -4.261 -0.506 -5.608) 7.061 1.994 ( -5.479 0.515 -0.875) 5.572 2.313 ( 3.673 -0.494 -0.101) 3.708 2.419 ( 1.228 3.223 -0.042) 3.449 2.457 ( -4.112 -2.201 2.216) 5.164 2.777 ( 1.525 -0.693 -0.370) 1.716 2.830 ( 1.167 1.346 2.026) 2.698 2.883 ( -2.483 -1.976 7.090) 7.768 3.044 ( -0.450 -0.795 -6.997) 7.056 3.048 ( -3.104 -0.625 0.417) 3.193 3.232 ( 0.208 3.151 -8.190) 8.777 3.453 ( -2.722 -0.915 1.496) 3.238 3.552 ( 2.132 0.493 8.150) 8.439 3.863 ( -0.040 -0.069 -0.356) 0.365 3.937 ( 5.620 -0.539 -1.804) 5.927 4.052 ( 6.496 -0.887 -2.184) 6.910 4.088 ( -4.149 -0.466 0.020) 4.175 4.250 ( -9.285 2.836 -3.434) 10.298 4.286 ( -1.071 0.343 1.143) 1.604 4.503 ( -2.512 -2.544 -5.748) 6.770 4.632 ( 2.309 -0.033 5.794) 6.237 4.748 ( 0.523 0.046 -0.291) 0.600 5.110 ( 2.535 6.883 -3.418) 8.092 5.174 ( 2.383 -1.173 2.898) 3.931 5.186 ( 5.765 -4.601 0.388) 7.386 5.355 ( -1.962 -0.686 2.953) 3.611 5.428 ( -3.203 1.134 -1.159) 3.590 5.688 ( -4.705 -2.080 1.999) 5.519 5.749 ( -3.319 -0.769 0.514) 3.446 6.040 ( 2.595 5.548 0.187) 6.128 6.102 ( 1.200 -3.548 0.030) 3.746 6.576 ( 2.074 0.065 -1.132) 2.364 6.777 ( -0.511 -0.004 -0.509) 0.721 7.115 ( 2.465 3.992 0.118) 4.694 7.225 ( -5.333 -4.898 -1.136) 7.330 7.493 ( 1.511 0.817 0.682) 1.848 7.646 ( 0.997 0.252 0.076) 1.031 7.709 ( -0.060 -0.144 0.779) 0.794 7.997 ( 1.339 0.008 -0.548) 1.447======================= Grid point 25 (18/196) =======================q-point: (-0.60 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 352Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.086 ( -5.936 0.055 1.180) 6.052 1.371 ( 6.538 1.492 -3.544) 7.585 1.561 ( -5.826 0.872 -6.021) 8.424 1.766 ( -4.884 -0.242 -1.212) 5.038 1.997 ( 9.533 -0.282 5.018) 10.777 2.102 ( -18.417 -0.246 8.357) 20.226 2.464 ( 2.711 1.865 -0.060) 3.291 2.471 ( -0.080 1.379 0.849) 1.621 2.714 ( -6.069 2.869 -3.091) 7.391 2.799 ( -6.335 -5.229 1.421) 8.336 2.880 ( -1.771 -7.542 1.135) 7.830 3.003 ( -3.200 0.906 -0.644) 3.387 3.105 ( 7.157 1.187 -9.155) 11.681 3.165 ( -2.839 6.867 -1.791) 7.643 3.393 ( -5.468 -5.213 0.145) 7.556 3.575 ( -0.305 1.840 6.035) 6.316 3.857 ( -0.482 0.505 -1.437) 1.598 3.886 ( -5.562 -0.419 -3.896) 6.804 4.059 ( -7.116 2.004 -2.952) 7.960 4.172 ( 4.680 -0.325 -1.253) 4.856 4.181 ( 8.182 -2.089 -0.199) 8.447 4.282 ( 0.509 0.128 6.533) 6.554 4.465 ( -2.967 -3.006 -3.122) 5.252 4.662 ( 0.606 -0.431 5.870) 5.917 4.817 ( 6.221 0.244 6.481) 8.986 5.047 ( -4.743 2.333 -7.250) 8.973 5.187 ( 0.525 5.788 -5.551) 8.037 5.289 ( 0.797 4.466 3.774) 5.901 5.338 ( -0.083 -4.271 -1.791) 4.632 5.445 ( 4.769 -4.071 8.480) 10.547 5.648 ( -1.541 -5.094 4.095) 6.715 5.705 ( -1.856 -1.276 1.188) 2.546 6.057 ( 2.051 5.115 1.022) 5.605 6.154 ( 2.953 -1.298 0.679) 3.296 6.595 ( 0.410 1.231 -4.132) 4.331 6.752 ( -2.108 -0.424 -1.979) 2.923 7.052 ( -5.747 2.304 -1.279) 6.322 7.234 ( 1.511 -4.715 0.905) 5.034 7.529 ( 2.714 1.341 -0.040) 3.028 7.657 ( 0.755 0.795 -2.994) 3.189 7.729 ( 1.911 -0.118 1.748) 2.593 8.050 ( 5.307 1.113 -0.026) 5.422======================= Grid point 26 (19/196) =======================q-point: (-0.50 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 350Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.983 ( -5.784 1.290 0.494) 5.946 1.266 ( -11.927 8.936 -6.331) 16.192 1.606 ( 8.038 -1.651 -3.524) 8.931 1.649 ( -9.789 -5.996 -2.087) 11.668 1.728 ( -19.695 -1.201 9.135) 21.744 2.183 ( 6.870 5.597 4.488) 9.934 2.326 ( -15.436 10.529 -10.715) 21.539 2.449 ( -4.058 -2.003 7.114) 8.432 2.629 ( 1.364 -0.950 -3.301) 3.696 2.718 ( -4.056 -6.596 0.110) 7.744 2.846 ( -7.126 -0.377 -1.815) 7.363 2.927 ( -2.010 -4.737 -1.594) 5.387 3.059 ( -5.441 2.440 -0.804) 6.017 3.259 ( 1.508 -3.883 0.060) 4.166 3.303 ( 0.306 1.431 -1.515) 2.107 3.503 ( -7.334 -0.331 2.881) 7.887 3.782 ( -4.351 -2.105 -3.359) 5.886 3.896 ( 4.006 1.032 -1.335) 4.346 3.999 ( 2.271 0.979 -3.233) 4.070 4.206 ( 0.332 4.535 4.026) 6.073 4.317 ( 5.171 -3.214 -2.967) 6.773 4.336 ( 2.539 -3.054 6.339) 7.481 4.419 ( -3.466 -3.826 -0.352) 5.174 4.673 ( -0.435 -0.801 8.623) 8.671 4.938 ( -1.775 1.140 -4.094) 4.605 4.979 ( 6.597 -0.830 2.136) 6.984 5.109 ( -3.916 7.657 -3.710) 9.366 5.209 ( -3.507 4.853 1.858) 6.270 5.413 ( 2.400 -4.577 2.326) 5.668 5.572 ( 4.867 -5.779 5.989) 9.641 5.694 ( 1.455 -2.802 3.435) 4.665 5.710 ( 3.050 -2.513 3.408) 5.218 6.052 ( -0.062 4.464 2.319) 5.031 6.224 ( 4.321 1.062 0.529) 4.481 6.565 ( -2.113 1.771 -8.647) 9.075 6.703 ( -3.402 -0.989 -3.466) 4.956 6.936 ( -6.237 -2.218 -0.720) 6.658 7.270 ( 0.089 -2.243 1.613) 2.764 7.570 ( 2.391 1.501 -0.626) 2.892 7.654 ( -0.480 0.783 -4.625) 4.715 7.779 ( 3.256 0.280 2.229) 3.956 8.195 ( 12.247 4.654 0.217) 13.103======================= Grid point 27 (20/196) =======================q-point: (-0.40 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 352Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.831 ( -10.308 2.879 -0.364) 10.708 0.959 ( -13.960 11.834 -5.701) 19.169 1.290 ( -23.185 0.564 8.043) 24.547 1.586 ( -7.587 -8.781 -0.331) 11.610 1.724 ( 1.037 1.121 -6.626) 6.800 1.872 ( -20.245 14.443 -10.317) 26.924 2.202 ( 1.107 7.443 2.112) 7.816 2.383 ( -4.420 -3.237 6.958) 8.856 2.620 ( -13.154 -0.489 6.036) 14.481 2.651 ( -1.353 -6.019 -6.439) 8.917 2.814 ( -2.065 0.437 -8.644) 8.898 2.860 ( -0.521 -2.550 0.238) 2.614 2.968 ( -4.221 -0.877 4.593) 6.299 3.209 ( 1.303 -2.739 1.903) 3.581 3.374 ( -7.636 -6.279 1.249) 9.964 3.431 ( 6.207 -0.543 -2.248) 6.624 3.754 ( 0.191 -3.457 -3.784) 5.129 3.962 ( 3.622 3.760 -1.732) 5.501 4.076 ( 5.108 0.888 -2.239) 5.648 4.187 ( 0.086 2.895 8.085) 8.588 4.330 ( -2.902 -0.659 2.202) 3.702 4.391 ( -0.573 -5.200 -5.177) 7.360 4.438 ( 2.383 -5.550 4.290) 7.408 4.674 ( -0.996 -1.230 10.695) 10.812 4.883 ( -2.006 0.471 -6.006) 6.349 4.927 ( -7.533 3.750 -4.324) 9.461 5.110 ( -4.573 4.241 -2.183) 6.607 5.206 ( 10.942 -0.634 8.820) 14.069 5.476 ( 1.936 -3.539 6.426) 7.587 5.682 ( 2.657 -6.683 3.067) 7.818 5.733 ( 2.668 -0.215 2.805) 3.877 5.819 ( 5.570 -0.486 4.416) 7.125 6.019 ( -0.849 4.480 3.353) 5.660 6.291 ( 3.498 2.259 0.854) 4.250 6.486 ( -4.813 -1.075 -16.733) 17.444 6.634 ( -4.306 -1.805 -4.791) 6.690 6.850 ( -5.019 -3.346 1.993) 6.353 7.276 ( -0.116 -1.441 2.063) 2.519 7.590 ( 0.042 1.625 -1.981) 2.563 7.620 ( -1.874 0.363 -3.600) 4.075 7.843 ( 3.645 0.701 1.847) 4.146 8.442 ( 18.770 10.332 0.443) 21.431======================= Grid point 28 (21/196) =======================q-point: (-0.30 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 350Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.551 ( -19.433 2.185 4.528) 20.073 0.650 ( -10.063 16.753 -3.706) 19.891 0.895 ( -18.995 -0.799 0.795) 19.029 1.284 ( -18.823 31.015 -11.051) 37.926 1.492 ( -7.309 -5.908 -1.954) 9.599 1.801 ( -1.133 -7.103 0.123) 7.194 2.205 ( 2.093 6.776 1.138) 7.183 2.333 ( -11.095 -0.399 2.609) 11.405 2.366 ( -3.277 -2.654 4.115) 5.892 2.562 ( -10.213 -0.158 -2.849) 10.604 2.787 ( 2.800 -4.123 -8.768) 10.085 2.859 ( -3.698 -6.227 7.989) 10.783 2.963 ( 2.762 4.358 -0.638) 5.199 3.289 ( -6.472 -8.606 2.213) 10.993 3.331 ( 6.075 -4.535 0.691) 7.613 3.505 ( 1.870 -0.890 -0.930) 2.270 3.806 ( 3.752 -2.350 -3.885) 5.891 3.971 ( -0.326 2.734 -0.127) 2.756 4.121 ( -0.015 2.336 2.479) 3.406 4.191 ( 0.068 -0.215 3.122) 3.130 4.307 ( -0.703 -1.477 7.528) 7.704 4.379 ( -2.667 -4.410 -7.686) 9.254 4.499 ( 1.208 -4.614 2.912) 5.588 4.672 ( -1.266 -1.755 7.396) 7.706 4.760 ( -7.230 0.745 -2.472) 7.677 4.866 ( -0.386 -0.100 -2.746) 2.775 4.985 ( -6.082 4.186 -2.893) 7.930 5.408 ( 8.891 -1.830 4.885) 10.308 5.533 ( 1.411 -2.981 6.099) 6.933 5.738 ( 0.905 -2.361 2.992) 3.917 5.790 ( 2.968 2.462 4.066) 5.603 5.887 ( 0.537 -0.670 0.164) 0.874 6.011 ( 2.883 3.811 5.880) 7.577 6.301 ( -3.650 -0.877 -2.857) 4.717 6.396 ( -2.366 -2.276 -19.511) 19.785 6.568 ( -3.301 -2.967 -3.966) 5.952 6.783 ( -3.896 -0.785 4.214) 5.793 7.301 ( 2.069 -0.941 2.950) 3.724 7.525 ( -4.817 -0.183 -4.434) 6.550 7.606 ( 0.232 2.283 -0.325) 2.317 7.899 ( 2.479 0.863 0.931) 2.786 8.771 ( 23.359 11.843 0.723) 26.199======================= Grid point 29 (22/196) =======================q-point: (-0.20 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.238 ( -0.000 7.793 -0.000) 7.793 0.438 ( -0.000 19.498 -0.000) 19.498 0.692 ( 0.000 -2.233 0.000) 2.233 0.884 ( -0.000 40.798 -0.000) 40.798 1.437 ( 0.000 -3.085 0.000) 3.085 1.823 ( 0.000 -9.198 0.000) 9.198 2.138 ( -0.000 1.099 -0.000) 1.099 2.310 ( -0.000 5.636 -0.000) 5.636 2.311 ( -0.000 6.036 -0.000) 6.036 2.409 ( 0.000 -1.464 0.000) 1.464 2.802 ( 0.000 -0.750 0.000) 0.750 2.958 ( 0.000 -16.079 0.000) 16.079 2.962 ( -0.000 2.439 -0.000) 2.439 3.194 ( -0.000 0.026 -0.000) 0.026 3.419 ( 0.000 -2.688 0.000) 2.688 3.516 ( -0.000 1.195 -0.000) 1.195 3.885 ( 0.000 -0.760 0.000) 0.760 3.921 ( -0.000 0.853 -0.000) 0.853 4.103 ( -0.000 0.667 -0.000) 0.667 4.198 ( -0.000 0.683 -0.000) 0.683 4.294 ( 0.000 -3.684 0.000) 3.684 4.345 ( -0.000 1.586 -0.000) 1.586 4.555 ( 0.000 -5.603 0.000) 5.603 4.640 ( 0.000 -0.974 0.000) 0.974 4.697 ( 0.000 -0.120 0.000) 0.120 4.866 ( 0.000 -0.176 0.000) 0.176 4.876 ( -0.000 7.167 -0.000) 7.167 5.537 ( 0.000 -3.355 0.000) 3.355 5.545 ( 0.000 -2.963 0.000) 2.963 5.750 ( -0.000 1.780 -0.000) 1.780 5.794 ( -0.000 6.231 -0.000) 6.231 5.893 ( 0.000 -3.987 0.000) 3.987 6.062 ( -0.000 3.024 -0.000) 3.024 6.218 ( 0.000 -4.902 0.000) 4.902 6.377 ( -0.000 2.067 -0.000) 2.067 6.552 ( 0.000 -3.624 0.000) 3.624 6.736 ( -0.000 2.491 -0.000) 2.491 7.345 ( 0.000 -0.702 0.000) 0.702 7.457 ( 0.000 -0.122 0.000) 0.122 7.594 ( -0.000 2.662 -0.000) 2.662 7.919 ( -0.000 0.840 -0.000) 0.840 9.057 ( 0.000 -0.687 0.000) 0.687======================= Grid point 34 (23/196) =======================q-point: (-0.70 0.30 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 195Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.087 ( -5.763 -0.000 1.965) 6.089 1.379 ( 7.716 0.000 -3.469) 8.460 1.566 ( -5.736 -0.000 -6.678) 8.803 1.764 ( -7.332 -0.000 -2.004) 7.601 1.996 ( 12.031 0.000 5.670) 13.300 2.100 ( -19.224 -0.000 8.748) 21.121 2.453 ( -0.444 -0.000 3.602) 3.629 2.506 ( 5.066 0.000 -1.149) 5.195 2.738 ( -6.562 -0.000 -4.241) 7.813 2.761 ( -8.348 -0.000 -4.444) 9.457 2.832 ( -2.219 -0.000 6.821) 7.173 3.007 ( -1.790 -0.000 -1.505) 2.339 3.111 ( 7.383 0.000 -9.320) 11.890 3.218 ( -2.602 -0.000 -1.856) 3.196 3.352 ( -6.877 -0.000 1.105) 6.965 3.585 ( -0.271 -0.000 6.897) 6.903 3.860 ( 0.306 0.000 -1.109) 1.151 3.882 ( -6.957 -0.000 -4.658) 8.373 4.072 ( -7.599 -0.000 -4.279) 8.721 4.168 ( 8.153 0.000 -0.447) 8.166 4.170 ( 5.720 0.000 -0.855) 5.783 4.284 ( 0.059 0.000 7.319) 7.319 4.449 ( -2.685 -0.000 -3.312) 4.264 4.659 ( 0.540 0.000 5.104) 5.132 4.818 ( 6.187 0.000 6.693) 9.115 5.058 ( -6.301 -0.000 -7.304) 9.647 5.246 ( 1.558 0.000 -6.271) 6.462 5.269 ( 5.904 0.000 -1.881) 6.197 5.353 ( -4.874 -0.000 0.309) 4.884 5.402 ( 4.275 0.000 12.752) 13.450 5.622 ( -0.691 -0.000 4.330) 4.384 5.699 ( -2.047 -0.000 1.865) 2.769 6.089 ( 0.726 0.000 1.111) 1.327 6.142 ( 4.282 0.000 0.581) 4.321 6.601 ( 0.637 0.000 -4.109) 4.158 6.750 ( -2.235 -0.000 -2.095) 3.064 7.068 ( -8.227 -0.000 -2.157) 8.505 7.204 ( 3.806 0.000 1.637) 4.143 7.536 ( 2.602 0.000 -0.008) 2.602 7.662 ( 0.761 0.000 -3.181) 3.270 7.728 ( 1.984 0.000 2.074) 2.870 8.056 ( 5.765 0.000 -0.134) 5.766======================= Grid point 36 (24/196) =======================q-point: (-0.60 0.30 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 350Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.993 ( -5.517 0.460 2.656) 6.140 1.347 ( -9.638 5.343 -6.958) 13.033 1.585 ( -9.191 -4.226 -3.352) 10.657 1.594 ( 7.648 -0.914 -4.202) 8.774 1.723 ( -22.411 -0.194 11.092) 25.007 2.229 ( 8.918 2.654 3.927) 10.099 2.403 ( -6.151 0.916 2.565) 6.727 2.476 ( -9.679 9.910 -6.741) 15.406 2.594 ( -9.699 -8.180 -5.659) 13.893 2.652 ( 4.843 -2.757 2.822) 6.247 2.797 ( -4.613 -3.960 -4.010) 7.283 2.934 ( -6.279 1.349 -1.775) 6.663 3.112 ( -4.893 6.864 2.598) 8.820 3.201 ( -2.850 -6.505 1.008) 7.173 3.312 ( 5.382 0.380 -2.838) 6.097 3.500 ( -9.798 -0.208 4.218) 10.669 3.767 ( -4.717 -0.637 -3.996) 6.215 3.903 ( 4.881 0.304 -0.879) 4.969 4.008 ( 1.767 0.512 -4.168) 4.556 4.247 ( 1.311 2.943 3.841) 5.013 4.281 ( 4.716 -2.666 0.434) 5.434 4.320 ( 2.611 -0.716 3.926) 4.770 4.391 ( -3.793 -1.439 -1.374) 4.283 4.666 ( -0.556 -0.458 7.421) 7.456 4.943 ( -4.393 0.043 -6.475) 7.825 4.973 ( 8.866 -0.251 6.085) 10.756 5.182 ( -6.872 5.555 -0.683) 8.862 5.240 ( -3.521 -0.053 -4.831) 5.978 5.392 ( 4.884 1.192 -0.429) 5.046 5.495 ( 3.217 -6.710 9.759) 12.272 5.684 ( 1.884 0.024 3.898) 4.330 5.692 ( 4.980 -0.892 5.520) 7.488 6.085 ( -0.629 1.688 2.019) 2.705 6.231 ( 4.941 0.298 0.573) 4.983 6.578 ( -2.870 0.549 -8.424) 8.917 6.696 ( -3.448 -0.363 -3.472) 4.906 6.921 ( -7.132 -0.671 -1.327) 7.286 7.253 ( 0.954 -0.829 2.009) 2.374 7.581 ( 2.362 0.573 -0.490) 2.479 7.659 ( -0.876 0.181 -4.690) 4.775 7.781 ( 3.460 0.147 2.413) 4.221 8.228 ( 13.636 1.629 0.039) 13.733======================= Grid point 37 (25/196) =======================q-point: (-0.50 0.30 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 350Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.846 ( -11.226 0.570 0.450) 11.250 1.088 ( -11.683 11.399 -6.446) 17.549 1.297 ( -23.220 0.961 11.166) 25.783 1.481 ( -7.577 -10.144 0.056) 12.661 1.722 ( 4.228 -0.477 -5.075) 6.622 2.050 ( -17.382 16.799 -14.072) 27.971 2.270 ( -1.647 4.538 -1.397) 5.026 2.361 ( -4.751 -0.676 7.940) 9.277 2.562 ( 0.350 -9.659 -5.179) 10.965 2.628 ( -11.755 1.580 4.915) 12.839 2.753 ( -11.137 -9.389 0.019) 14.567 2.849 ( 5.936 0.609 -4.428) 7.431 3.005 ( -2.492 5.282 3.595) 6.858 3.183 ( 0.655 -2.470 2.897) 3.863 3.315 ( -9.786 -4.318 2.155) 10.911 3.428 ( 5.556 -0.101 -2.926) 6.281 3.727 ( 0.434 -1.694 -4.446) 4.777 3.997 ( 4.872 2.607 -0.789) 5.582 4.085 ( 5.983 0.639 -3.492) 6.957 4.219 ( -2.701 2.847 9.777) 10.535 4.316 ( -3.789 -1.661 0.422) 4.159 4.352 ( 0.260 -2.146 -4.153) 4.681 4.386 ( 3.067 -4.063 3.151) 5.987 4.661 ( -1.093 -1.036 8.911) 9.037 4.882 ( -1.750 -0.332 -5.516) 5.797 4.959 ( -10.141 2.228 -2.456) 10.669 5.153 ( -4.464 3.463 -5.577) 7.938 5.200 ( 10.191 -0.428 9.073) 13.651 5.458 ( 3.021 0.222 3.156) 4.374 5.606 ( 3.756 -6.830 6.915) 10.419 5.728 ( 3.219 -0.670 2.419) 4.082 5.824 ( 6.661 0.848 6.489) 9.338 6.058 ( -1.106 2.717 2.883) 4.113 6.309 ( 3.552 1.200 1.021) 3.886 6.469 ( -7.476 -1.660 -15.799) 17.558 6.621 ( -4.405 -0.623 -4.730) 6.493 6.828 ( -3.739 -1.147 1.320) 4.128 7.266 ( 0.341 -0.620 2.324) 2.430 7.605 ( -1.310 1.141 -3.063) 3.521 7.621 ( -0.735 -0.110 -2.368) 2.482 7.850 ( 3.745 0.477 1.846) 4.203 8.521 ( 19.382 4.823 0.302) 19.975======================= Grid point 38 (26/196) =======================q-point: (-0.40 0.30 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 350Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.561 ( -19.198 0.086 -0.712) 19.211 0.817 ( -10.214 13.541 -2.849) 17.199 0.899 ( -18.176 2.396 6.331) 19.396 1.405 ( -6.372 -9.601 0.704) 11.544 1.616 ( -11.647 30.525 -11.978) 34.798 1.750 ( -2.415 -2.531 -1.486) 3.801 2.263 ( 2.173 2.806 -2.522) 4.354 2.313 ( -4.630 -2.556 3.112) 6.136 2.350 ( -11.137 -0.964 3.891) 11.836 2.563 ( -6.168 -0.329 -0.211) 6.181 2.681 ( -0.043 -13.114 -3.128) 13.482 2.822 ( -5.546 -1.356 3.689) 6.798 3.018 ( 1.846 5.154 -0.630) 5.510 3.222 ( -3.106 -3.930 1.957) 5.378 3.284 ( 6.733 -4.374 1.568) 8.180 3.493 ( 1.622 -1.316 -1.544) 2.598 3.789 ( 5.510 -1.086 -5.212) 7.662 4.011 ( -1.464 4.672 0.845) 4.968 4.141 ( -2.466 0.845 4.722) 5.394 4.191 ( 2.478 0.527 0.762) 2.646 4.268 ( -2.976 -4.519 1.174) 5.537 4.356 ( 0.012 -1.110 -3.420) 3.595 4.452 ( 1.385 -3.991 2.747) 5.039 4.655 ( -1.178 -1.244 5.874) 6.118 4.766 ( -8.432 0.418 -0.749) 8.476 4.863 ( -0.343 -0.280 -2.920) 2.954 5.039 ( -4.550 5.279 -4.035) 8.053 5.389 ( 8.176 -1.742 4.535) 9.510 5.507 ( 1.150 -1.980 2.916) 3.707 5.714 ( 4.491 -2.015 7.538) 9.002 5.796 ( 3.097 -0.912 2.277) 3.951 5.904 ( 1.617 3.187 2.946) 4.632 6.043 ( 1.517 2.302 4.430) 5.218 6.275 ( -8.643 -3.371 -9.296) 13.133 6.387 ( 1.223 0.166 -8.400) 8.490 6.543 ( -3.790 -1.774 -4.361) 6.044 6.783 ( -1.841 0.416 2.201) 2.899 7.294 ( 2.368 -0.424 3.042) 3.878 7.524 ( -5.010 -0.144 -4.547) 6.768 7.628 ( 0.635 1.726 -0.194) 1.850 7.908 ( 2.512 0.718 0.906) 2.765 8.853 ( 18.242 4.655 0.510) 18.834======================= Grid point 39 (27/196) =======================q-point: (-0.30 0.30 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 195Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.287 ( -0.000 1.304 -0.000) 1.304 0.615 ( -0.000 11.229 -0.000) 11.229 0.702 ( -0.000 7.122 -0.000) 7.122 1.302 ( -0.000 38.511 -0.000) 38.511 1.383 ( 0.000 -7.359 0.000) 7.359 1.744 ( 0.000 -5.590 0.000) 5.590 2.150 ( -0.000 1.169 -0.000) 1.169 2.330 ( 0.000 -1.727 0.000) 1.727 2.357 ( -0.000 1.672 -0.000) 1.672 2.433 ( -0.000 5.199 -0.000) 5.199 2.778 ( 0.000 -16.892 0.000) 16.892 2.779 ( 0.000 -3.052 0.000) 3.052 2.996 ( -0.000 3.242 -0.000) 3.242 3.200 ( -0.000 1.444 -0.000) 1.444 3.385 ( 0.000 -3.830 0.000) 3.830 3.513 ( 0.000 -1.479 0.000) 1.479 3.890 ( -0.000 1.773 -0.000) 1.773 3.930 ( -0.000 0.746 -0.000) 0.746 4.105 ( 0.000 -0.487 0.000) 0.487 4.214 ( -0.000 2.344 -0.000) 2.344 4.251 ( 0.000 -4.289 0.000) 4.289 4.357 ( -0.000 0.539 -0.000) 0.539 4.497 ( 0.000 -5.211 0.000) 5.211 4.631 ( 0.000 -0.812 0.000) 0.812 4.696 ( 0.000 -0.061 0.000) 0.061 4.863 ( 0.000 -0.359 0.000) 0.359 4.953 ( -0.000 7.094 -0.000) 7.094 5.508 ( 0.000 -3.814 0.000) 3.814 5.509 ( 0.000 -2.034 0.000) 2.034 5.770 ( -0.000 1.912 -0.000) 1.912 5.855 ( 0.000 -3.128 0.000) 3.128 5.861 ( -0.000 6.402 -0.000) 6.402 6.090 ( -0.000 2.161 -0.000) 2.161 6.162 ( 0.000 -5.576 0.000) 5.576 6.396 ( -0.000 1.449 -0.000) 1.449 6.516 ( 0.000 -3.063 0.000) 3.063 6.759 ( -0.000 1.849 -0.000) 1.849 7.339 ( 0.000 -0.508 0.000) 0.508 7.456 ( 0.000 -0.122 0.000) 0.122 7.622 ( -0.000 2.450 -0.000) 2.450 7.928 ( -0.000 0.859 -0.000) 0.859 9.049 ( 0.000 -0.703 0.000) 0.703======================= Grid point 46 (28/196) =======================q-point: (-0.60 0.40 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.849 ( -11.502 -0.000 0.325) 11.506 1.160 ( -11.395 -0.000 -6.882) 13.311 1.308 ( -23.306 -0.000 12.640) 26.513 1.410 ( -7.215 -0.000 0.125) 7.216 1.719 ( 4.323 0.000 -5.044) 6.644 2.163 ( -11.430 -0.000 -13.404) 17.616 2.287 ( -8.000 -0.000 -7.336) 10.854 2.366 ( -7.182 -0.000 8.028) 10.772 2.490 ( 4.914 0.000 -1.686) 5.195 2.655 ( -8.006 -0.000 -0.038) 8.006 2.680 ( -13.982 -0.000 7.904) 16.061 2.853 ( 4.989 0.000 -5.576) 7.482 3.040 ( -3.244 -0.000 3.119) 4.500 3.165 ( 1.752 0.000 2.882) 3.373 3.291 ( -10.659 -0.000 2.806) 11.023 3.428 ( 5.206 0.000 -3.185) 6.103 3.718 ( 0.478 0.000 -4.650) 4.675 4.012 ( 5.581 0.000 -0.251) 5.587 4.088 ( 6.279 0.000 -3.826) 7.352 4.237 ( -4.081 -0.000 10.890) 11.630 4.306 ( -4.661 -0.000 -1.756) 4.981 4.342 ( 0.394 0.000 -2.485) 2.516 4.362 ( 4.078 0.000 2.255) 4.660 4.655 ( -1.058 -0.000 8.181) 8.249 4.880 ( -1.648 -0.000 -5.364) 5.612 4.972 ( -11.194 -0.000 -1.738) 11.329 5.173 ( -4.064 -0.000 -6.408) 7.588 5.197 ( 9.732 0.000 9.213) 13.401 5.467 ( 2.343 0.000 -2.661) 3.545 5.562 ( 5.552 0.000 12.730) 13.888 5.724 ( 3.215 0.000 2.189) 3.889 5.829 ( 7.007 0.000 7.181) 10.033 6.073 ( -1.152 -0.000 2.740) 2.972 6.316 ( 3.546 0.000 1.138) 3.724 6.459 ( -8.432 -0.000 -15.473) 17.621 6.618 ( -4.447 -0.000 -4.741) 6.501 6.822 ( -3.255 -0.000 0.982) 3.400 7.262 ( 0.503 0.000 2.407) 2.459 7.612 ( -3.738 -0.000 -4.985) 6.231 7.619 ( 1.651 0.000 -0.394) 1.697 7.852 ( 3.771 0.000 1.844) 4.198 8.546 ( 19.396 0.000 0.252) 19.397======================= Grid point 48 (29/196) =======================q-point: (-0.50 0.40 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 350Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.559 ( -19.640 -0.291 -4.030) 20.051 0.882 ( -18.670 1.200 7.615) 20.199 0.976 ( -8.907 7.894 -1.484) 11.993 1.308 ( -6.121 -6.946 1.511) 9.381 1.728 ( -1.993 -0.576 -3.794) 4.325 1.924 ( -6.313 24.858 -10.066) 27.552 2.200 ( -2.102 -14.119 -8.257) 16.490 2.303 ( -1.927 -0.285 4.869) 5.244 2.348 ( -16.593 0.508 3.154) 16.897 2.547 ( -4.941 -2.047 3.210) 6.237 2.587 ( 3.321 -3.302 1.876) 5.045 2.815 ( -6.338 -0.258 0.375) 6.355 3.058 ( -1.206 2.011 -0.787) 2.473 3.207 ( 2.541 0.814 1.755) 3.194 3.241 ( 5.415 -3.606 2.623) 7.015 3.481 ( 1.089 -0.677 -1.994) 2.371 3.782 ( 6.537 -0.298 -5.990) 8.872 4.062 ( -0.510 4.303 1.133) 4.478 4.129 ( -7.228 -2.606 8.688) 11.599 4.202 ( 5.626 1.014 -3.159) 6.532 4.233 ( -3.162 -1.697 -0.931) 3.708 4.345 ( 0.109 -0.801 -1.617) 1.808 4.422 ( 1.674 -1.492 2.513) 3.368 4.646 ( -0.984 -0.452 5.035) 5.150 4.769 ( -8.897 0.156 0.014) 8.898 4.861 ( -0.267 -0.145 -2.946) 2.962 5.083 ( -4.045 2.462 -3.961) 6.174 5.374 ( 7.606 -0.914 3.845) 8.571 5.492 ( 0.581 -0.723 0.547) 1.076 5.699 ( 7.181 -0.725 10.867) 13.046 5.785 ( 2.640 -0.693 0.956) 2.892 5.934 ( 3.427 1.796 5.816) 6.986 6.060 ( 0.103 0.879 3.173) 3.295 6.245 ( -10.059 -1.851 -11.548) 15.426 6.390 ( 2.076 0.274 -4.969) 5.392 6.531 ( -4.256 -0.603 -4.563) 6.269 6.787 ( -1.118 0.235 1.358) 1.775 7.291 ( 2.462 -0.126 3.101) 3.961 7.522 ( -5.082 -0.053 -4.584) 6.845 7.641 ( 0.860 0.638 -0.137) 1.080 7.913 ( 2.528 0.278 0.892) 2.696 8.882 ( 15.814 1.232 0.400) 15.867======================= Grid point 49 (30/196) =======================q-point: (-0.40 0.40 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.277 ( 0.000 -2.123 0.000) 2.123 0.668 ( -0.000 2.390 -0.000) 2.390 0.835 ( -0.000 13.362 -0.000) 13.362 1.290 ( 0.000 -9.379 0.000) 9.379 1.690 ( -0.000 34.843 -0.000) 34.843 1.705 ( 0.000 -2.067 0.000) 2.067 2.162 ( -0.000 0.977 -0.000) 0.977 2.292 ( 0.000 -15.950 0.000) 15.950 2.307 ( 0.000 -1.989 0.000) 1.989 2.485 ( -0.000 3.917 -0.000) 3.917 2.649 ( 0.000 -5.964 0.000) 5.964 2.748 ( 0.000 -2.409 0.000) 2.409 3.019 ( -0.000 1.078 -0.000) 1.078 3.230 ( -0.000 4.218 -0.000) 4.218 3.339 ( 0.000 -4.903 0.000) 4.903 3.493 ( 0.000 -1.834 0.000) 1.834 3.916 ( -0.000 2.687 -0.000) 2.687 3.936 ( -0.000 0.436 -0.000) 0.436 4.093 ( 0.000 -1.647 0.000) 1.647 4.212 ( 0.000 -2.713 0.000) 2.713 4.244 ( -0.000 3.137 -0.000) 3.137 4.353 ( 0.000 -1.238 0.000) 1.238 4.452 ( 0.000 -3.075 0.000) 3.075 4.624 ( 0.000 -0.468 0.000) 0.468 4.695 ( -0.000 0.011 -0.000) 0.011 4.860 ( 0.000 -0.263 0.000) 0.263 5.018 ( -0.000 4.870 -0.000) 4.870 5.470 ( 0.000 -3.106 0.000) 3.106 5.494 ( 0.000 -0.909 0.000) 0.909 5.789 ( -0.000 1.726 -0.000) 1.726 5.827 ( 0.000 -2.191 0.000) 2.191 5.926 ( -0.000 5.769 -0.000) 5.769 6.103 ( 0.000 -5.379 0.000) 5.379 6.107 ( -0.000 1.145 -0.000) 1.145 6.407 ( -0.000 0.740 -0.000) 0.740 6.490 ( 0.000 -1.770 0.000) 1.770 6.774 ( -0.000 0.970 -0.000) 0.970 7.335 ( 0.000 -0.245 0.000) 0.245 7.454 ( 0.000 -0.075 0.000) 0.075 7.643 ( -0.000 1.435 -0.000) 1.435 7.936 ( -0.000 0.542 -0.000) 0.542 9.043 ( 0.000 -0.443 0.000) 0.443======================= Grid point 59 (31/196) =======================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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 108Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.263 ( -0.000 0.000 -0.000) 0.000 0.681 ( -0.000 0.000 -0.000) 0.000 0.920 ( -0.000 0.000 -0.000) 0.000 1.226 ( -0.000 0.000 -0.000) 0.000 1.695 ( -0.000 0.000 -0.000) 0.000 1.991 ( -0.000 0.000 -0.000) 0.000 2.082 ( 0.000 -0.000 0.000) 0.000 2.168 ( -0.000 0.000 -0.000) 0.000 2.295 ( -0.000 0.000 -0.000) 0.000 2.506 ( -0.000 0.000 -0.000) 0.000 2.627 ( -0.000 0.000 -0.000) 0.000 2.735 ( -0.000 0.000 -0.000) 0.000 3.023 ( -0.000 0.000 -0.000) 0.000 3.278 ( 0.000 -0.000 0.000) 0.000 3.288 ( -0.000 0.000 -0.000) 0.000 3.482 ( -0.000 0.000 -0.000) 0.000 3.934 ( -0.000 0.000 -0.000) 0.000 3.939 ( -0.000 0.000 -0.000) 0.000 4.080 ( -0.000 0.000 -0.000) 0.000 4.198 ( -0.000 0.000 -0.000) 0.000 4.266 ( -0.000 0.000 -0.000) 0.000 4.341 ( -0.000 0.000 -0.000) 0.000 4.436 ( -0.000 0.000 -0.000) 0.000 4.621 ( -0.000 0.000 -0.000) 0.000 4.696 ( -0.000 0.000 -0.000) 0.000 4.858 ( -0.000 0.000 -0.000) 0.000 5.045 ( -0.000 0.000 -0.000) 0.000 5.452 ( -0.000 0.000 -0.000) 0.000 5.489 ( -0.000 0.000 -0.000) 0.000 5.806 ( -0.000 0.000 -0.000) 0.000 5.808 ( -0.000 0.000 -0.000) 0.000 5.965 ( -0.000 0.000 -0.000) 0.000 6.066 ( -0.000 0.000 -0.000) 0.000 6.113 ( -0.000 0.000 -0.000) 0.000 6.411 ( -0.000 0.000 -0.000) 0.000 6.480 ( -0.000 0.000 -0.000) 0.000 6.779 ( -0.000 0.000 -0.000) 0.000 7.333 ( -0.000 0.000 -0.000) 0.000 7.454 ( -0.000 0.000 -0.000) 0.000 7.651 ( -0.000 0.000 -0.000) 0.000 7.939 ( -0.000 0.000 -0.000) 0.000 9.041 ( -0.000 0.000 -0.000) 0.000======================= Grid point 107 (32/196) =======================q-point: ( 0.00 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.394 ( 10.538 0.000 19.343) 22.028 0.569 ( 0.865 0.000 26.005) 26.019 0.859 ( 1.551 0.000 38.704) 38.736 1.159 ( 15.599 0.000 9.120) 18.069 1.543 ( 3.581 0.000 7.191) 8.033 1.976 ( -2.728 -0.000 -2.464) 3.676 2.085 ( -12.140 -0.000 -6.310) 13.682 2.197 ( -0.208 -0.000 0.675) 0.707 2.403 ( -4.633 -0.000 9.139) 10.246 2.495 ( 4.873 0.000 -5.898) 7.651 2.741 ( 2.815 0.000 -1.379) 3.135 2.946 ( -5.609 -0.000 -1.184) 5.733 3.037 ( 2.925 0.000 10.866) 11.253 3.222 ( -2.985 -0.000 -0.074) 2.986 3.407 ( 0.033 0.000 -3.067) 3.067 3.480 ( 1.497 0.000 -0.041) 1.498 3.875 ( 3.139 0.000 -1.900) 3.669 3.978 ( 3.283 0.000 -4.513) 5.581 4.003 ( -8.416 -0.000 -1.024) 8.478 4.141 ( 0.244 0.000 2.603) 2.614 4.295 ( -4.071 -0.000 5.765) 7.057 4.567 ( -2.934 -0.000 -1.410) 3.255 4.648 ( -7.028 -0.000 -2.934) 7.616 4.713 ( 3.031 0.000 3.724) 4.802 4.866 ( -1.161 -0.000 0.555) 1.286 4.904 ( -1.425 -0.000 8.522) 8.640 4.964 ( -8.557 -0.000 2.327) 8.868 5.435 ( -2.109 -0.000 -4.329) 4.815 5.612 ( 3.821 0.000 -2.585) 4.613 5.685 ( -2.158 -0.000 -1.482) 2.618 5.698 ( -6.490 -0.000 -2.701) 7.030 5.748 ( 1.612 0.000 0.664) 1.744 5.984 ( -2.214 -0.000 0.807) 2.356 6.289 ( -1.479 -0.000 0.102) 1.482 6.492 ( 19.517 0.000 2.011) 19.620 6.616 ( 4.348 0.000 0.212) 4.353 7.003 ( -2.114 -0.000 -0.030) 2.114 7.461 ( 0.762 0.000 -9.145) 9.176 7.478 ( 4.783 0.000 1.949) 5.165 7.835 ( -0.799 -0.000 -1.318) 1.541 7.912 ( -0.872 -0.000 -0.031) 0.873 8.035 ( -0.610 -0.000 -3.180) 3.238======================= Grid point 108 (33/196) =======================q-point: ( 0.10 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 350Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.595 ( 8.286 -1.561 17.338) 19.279 0.661 ( 14.637 -3.795 17.554) 23.169 1.275 ( 5.115 2.906 17.955) 18.894 1.306 ( 27.384 -5.069 27.208) 38.934 1.686 ( 9.310 -0.451 8.963) 12.931 1.903 ( -2.187 6.361 -3.304) 7.494 1.975 ( -3.262 -7.370 -4.062) 9.026 2.311 ( 11.258 0.876 -1.049) 11.340 2.387 ( -2.290 2.689 -3.009) 4.640 2.666 ( 15.827 4.348 -3.387) 16.760 2.742 ( -2.453 -2.973 -5.510) 6.724 2.870 ( 0.219 -1.009 2.945) 3.121 3.103 ( 0.074 -1.055 12.060) 12.106 3.333 ( 6.990 2.690 -2.730) 7.972 3.365 ( -1.547 0.165 -2.492) 2.938 3.531 ( 3.907 -0.925 0.045) 4.015 3.863 ( -2.932 0.742 -0.282) 3.038 3.936 ( -1.126 0.773 1.683) 2.168 3.989 ( -1.031 -1.369 -5.368) 5.635 4.179 ( -0.536 -0.418 1.389) 1.546 4.254 ( 1.911 -0.551 4.530) 4.947 4.466 ( -7.520 0.029 -5.903) 9.561 4.507 ( -2.753 0.205 0.590) 2.822 4.752 ( -1.018 6.212 3.015) 6.980 4.800 ( 0.868 -2.528 0.594) 2.738 4.951 ( -0.008 -1.914 3.808) 4.261 4.991 ( 5.140 -1.201 9.406) 10.786 5.327 ( -8.818 0.675 -3.744) 9.604 5.548 ( -0.711 12.526 -3.694) 13.079 5.649 ( -2.986 -1.257 -3.946) 5.106 5.706 ( 1.507 -9.767 -4.988) 11.070 5.807 ( 2.935 0.389 -0.630) 3.027 5.917 ( -4.249 1.114 -0.614) 4.436 6.249 ( -2.977 -0.850 -1.169) 3.309 6.696 ( 4.084 1.415 2.073) 4.794 6.735 ( 6.745 -0.190 -0.604) 6.775 6.957 ( -1.135 4.107 -0.834) 4.341 7.430 ( -1.851 7.469 -5.654) 9.549 7.565 ( 3.232 2.614 4.041) 5.798 7.656 ( -4.676 6.163 5.573) 9.535 7.859 ( -3.437 -0.324 -1.553) 3.785 8.082 ( -5.815 -23.046 -6.129) 24.546======================= Grid point 109 (34/196) =======================q-point: ( 0.20 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 352Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.864 ( 15.024 -0.946 4.597) 15.740 0.988 ( 16.447 -4.917 15.802) 23.333 1.386 ( 10.159 3.774 9.977) 14.731 1.787 ( -1.885 -2.362 3.385) 4.537 1.825 ( -0.181 4.270 1.970) 4.706 1.930 ( 24.158 -7.772 18.979) 31.690 2.002 ( 6.409 -4.488 2.010) 8.078 2.315 ( -0.359 5.009 -9.849) 11.056 2.499 ( 6.340 0.221 -8.625) 10.707 2.742 ( 4.170 -2.926 3.202) 6.017 2.920 ( -0.668 -0.756 7.261) 7.331 2.945 ( 12.545 5.377 1.347) 13.715 3.068 ( 1.900 -2.383 4.108) 5.115 3.341 ( 3.537 6.141 1.431) 7.230 3.399 ( -1.475 -0.946 1.580) 2.360 3.555 ( -2.003 4.006 2.024) 4.915 3.811 ( -1.378 2.306 -2.872) 3.933 3.909 ( -1.518 0.498 -2.937) 3.343 3.994 ( 1.803 -5.900 -1.445) 6.336 4.101 ( -6.846 -0.407 -0.928) 6.921 4.334 ( -0.319 1.166 -2.291) 2.590 4.379 ( 1.654 -2.509 -2.349) 3.815 4.483 ( 0.108 1.082 -0.132) 1.095 4.673 ( -3.355 5.886 3.108) 7.454 4.841 ( 0.461 -3.023 -4.305) 5.281 4.966 ( -0.185 -3.319 2.242) 4.010 5.108 ( 5.475 -1.403 11.944) 13.214 5.159 ( -6.975 0.499 2.780) 7.525 5.494 ( 0.897 10.465 -4.903) 11.591 5.577 ( -5.000 -1.200 -5.359) 7.426 5.759 ( -0.511 -5.285 -5.513) 7.654 5.841 ( 0.676 2.754 0.105) 2.838 5.851 ( 0.161 0.756 -1.199) 1.427 6.191 ( -3.786 -1.848 -2.363) 4.830 6.742 ( 1.551 1.711 3.715) 4.374 6.786 ( -0.971 -2.159 6.183) 6.620 6.934 ( 1.693 4.833 -3.086) 5.979 7.343 ( -1.509 7.452 -2.314) 7.947 7.548 ( -1.720 0.352 -0.632) 1.866 7.671 ( 1.378 -2.366 2.976) 4.044 7.792 ( -3.320 0.005 -2.060) 3.907 8.059 ( -5.819 -12.994 -4.554) 14.948======================= Grid point 110 (35/196) =======================q-point: ( 0.30 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 350Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.068 ( 6.740 1.724 3.428) 7.756 1.324 ( 14.653 -4.819 14.290) 21.027 1.609 ( 5.776 0.965 -2.517) 6.374 1.682 ( 2.193 -1.875 1.957) 3.487 1.778 ( -3.112 0.031 -0.502) 3.153 2.092 ( 3.132 1.039 5.037) 6.022 2.326 ( 4.609 2.590 -9.746) 11.088 2.449 ( 16.153 -3.892 14.793) 22.246 2.573 ( 4.980 -5.949 -5.017) 9.239 2.743 ( -3.086 0.836 5.441) 6.311 2.885 ( 2.794 6.921 0.509) 7.481 3.140 ( 8.462 0.738 4.310) 9.525 3.214 ( 2.392 -1.526 2.849) 4.021 3.288 ( -7.875 -2.165 1.781) 8.359 3.387 ( 5.583 8.306 4.185) 10.848 3.537 ( 2.963 1.991 2.781) 4.525 3.792 ( 1.077 0.439 -2.800) 3.032 3.874 ( -1.203 -1.756 -2.310) 3.142 3.965 ( -7.120 -1.221 -0.753) 7.263 4.111 ( 6.231 -2.905 -1.627) 7.065 4.242 ( -5.609 -0.483 -4.507) 7.212 4.424 ( -2.992 -0.401 -1.987) 3.614 4.527 ( 6.331 1.740 4.134) 7.759 4.593 ( -1.846 4.594 2.197) 5.416 4.809 ( -4.076 -2.544 -3.730) 6.083 5.004 ( 1.879 -4.308 -0.192) 4.704 5.097 ( -0.511 -0.914 5.367) 5.468 5.218 ( 3.009 -1.186 9.833) 10.351 5.440 ( -1.430 7.243 -4.738) 8.772 5.493 ( -2.941 -0.713 -1.542) 3.396 5.737 ( -0.728 3.083 -4.092) 5.175 5.825 ( -0.787 1.428 -1.723) 2.372 5.888 ( 2.314 -0.020 0.346) 2.340 6.137 ( -2.722 -2.296 -2.820) 4.542 6.737 ( -2.386 -1.259 8.867) 9.268 6.782 ( 0.094 -0.060 2.707) 2.709 6.953 ( 2.398 2.238 -4.556) 5.614 7.295 ( -0.657 3.597 -3.845) 5.306 7.504 ( -3.182 -1.081 -3.370) 4.759 7.681 ( -1.122 -0.604 1.021) 1.632 7.748 ( -1.564 -0.414 -0.731) 1.775 8.014 ( -3.922 -6.140 -3.012) 7.883======================= Grid point 111 (36/196) =======================q-point: ( 0.40 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 352Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.141 ( 3.491 2.592 2.245) 4.893 1.412 ( -8.990 -3.493 1.987) 9.848 1.663 ( 9.244 -2.633 8.586) 12.888 1.709 ( -3.783 -2.725 -0.933) 4.755 1.979 ( 17.551 1.812 -2.807) 17.866 2.084 ( -1.839 3.636 5.697) 7.005 2.403 ( 4.958 1.759 -7.676) 9.305 2.501 ( -1.243 -3.780 4.138) 5.741 2.697 ( 3.020 4.740 -1.113) 5.729 2.824 ( 0.753 6.564 -4.450) 7.966 2.931 ( 6.521 -5.747 9.682) 13.011 3.071 ( -7.420 -1.049 -0.829) 7.539 3.211 ( -0.406 -0.599 6.185) 6.227 3.263 ( -3.645 -2.018 7.105) 8.237 3.453 ( 2.960 4.687 0.500) 5.565 3.597 ( 3.845 3.487 2.430) 5.731 3.836 ( 1.068 -1.037 -1.091) 1.846 3.891 ( 1.930 -0.586 0.289) 2.038 3.928 ( 4.389 -6.139 -3.343) 8.254 4.085 ( -6.864 0.290 -9.181) 11.467 4.269 ( 5.524 -1.113 6.214) 8.389 4.321 ( -6.692 1.662 0.010) 6.895 4.538 ( -1.365 2.168 0.370) 2.589 4.656 ( 5.902 0.596 5.090) 7.816 4.777 ( 0.488 -1.298 2.875) 3.193 5.036 ( -1.237 -4.128 1.276) 4.495 5.143 ( 3.290 -1.978 -1.932) 4.298 5.198 ( -4.686 0.763 -2.004) 5.153 5.396 ( 0.621 4.707 -0.691) 4.798 5.484 ( 0.377 -0.125 7.581) 7.592 5.719 ( 1.784 4.401 -2.263) 5.261 5.793 ( -1.242 1.693 -1.432) 2.541 5.923 ( 1.194 -0.399 1.268) 1.787 6.118 ( -0.091 -1.271 -1.968) 2.345 6.703 ( -3.222 -2.276 8.162) 9.065 6.784 ( -0.323 0.051 0.318) 0.456 6.984 ( 2.191 0.702 -4.500) 5.054 7.266 ( -0.752 0.646 -5.018) 5.115 7.446 ( -2.678 -0.052 -4.325) 5.088 7.659 ( -1.566 -0.206 -0.031) 1.580 7.722 ( -1.302 0.130 -0.453) 1.385 7.983 ( -1.521 -2.357 -2.007) 3.449======================= Grid point 112 (37/196) =======================q-point: (-0.50 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 350Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.174 ( -2.094 1.792 -2.113) 3.472 1.279 ( -2.899 -1.914 2.334) 4.184 1.600 ( -6.861 2.070 -0.287) 7.172 1.820 ( 3.750 -0.270 7.352) 8.257 2.067 ( 1.780 -0.024 7.150) 7.368 2.220 ( 6.507 0.648 -3.544) 7.437 2.451 ( 2.638 -1.724 -2.601) 4.086 2.527 ( -4.018 2.217 6.507) 7.962 2.664 ( 4.902 3.247 -8.527) 10.358 2.795 ( -0.994 -0.183 -1.641) 1.927 2.987 ( -1.860 4.840 6.106) 8.011 2.988 ( -3.759 -2.698 -4.893) 6.734 3.201 ( -4.003 -2.697 8.705) 9.954 3.212 ( -2.695 -5.977 5.831) 8.774 3.441 ( -1.056 2.110 -1.085) 2.597 3.635 ( 2.224 5.510 4.818) 7.650 3.835 ( -0.579 0.067 -1.184) 1.320 3.878 ( -7.741 -1.828 -5.525) 9.685 4.053 ( 6.482 -0.458 -2.866) 7.103 4.069 ( 6.427 -4.226 -1.754) 7.889 4.183 ( -7.403 -0.791 0.434) 7.457 4.368 ( 4.211 -0.641 6.581) 7.839 4.509 ( -0.588 1.907 -0.088) 1.997 4.752 ( 3.951 -2.109 6.471) 7.870 4.844 ( 4.948 1.329 5.648) 7.625 5.013 ( -3.741 -3.054 0.838) 4.901 5.052 ( -5.680 4.048 -5.986) 9.192 5.251 ( 5.186 -2.765 -2.370) 6.337 5.386 ( -0.645 1.101 3.238) 3.481 5.502 ( 2.493 2.934 4.492) 5.916 5.729 ( 0.081 2.793 0.627) 2.864 5.799 ( 2.764 -2.086 -0.373) 3.483 5.941 ( 0.958 1.068 2.339) 2.744 6.136 ( 1.763 0.543 0.169) 1.852 6.648 ( -4.653 -0.890 4.797) 6.742 6.767 ( -1.790 -0.640 -1.149) 2.222 7.008 ( 0.748 -0.317 -3.905) 3.988 7.259 ( 0.289 -2.100 -4.996) 5.427 7.413 ( 0.379 1.974 -4.322) 4.766 7.613 ( -3.394 -0.038 -2.335) 4.120 7.717 ( 1.266 0.762 0.518) 1.566 7.980 ( 0.470 -0.601 -1.628) 1.798======================= Grid point 113 (38/196) =======================q-point: (-0.40 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 352Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.024 ( -9.457 3.184 -3.967) 10.739 1.285 ( -3.559 5.270 2.653) 6.891 1.503 ( 1.869 1.006 -0.442) 2.168 1.864 ( 0.191 -4.287 6.092) 7.452 2.050 ( -11.915 3.526 -2.107) 12.603 2.166 ( -1.556 0.852 4.666) 4.991 2.457 ( -1.444 -0.479 6.846) 7.013 2.563 ( 6.108 -2.309 1.050) 6.614 2.628 ( -12.172 -2.021 -1.722) 12.458 2.845 ( -9.436 4.507 2.797) 10.825 2.860 ( 9.382 1.770 -7.531) 12.161 3.017 ( 4.482 -3.393 -1.052) 5.719 3.149 ( -5.200 -3.217 5.674) 8.341 3.181 ( -3.523 -5.308 4.532) 7.818 3.404 ( -1.873 3.194 -1.613) 4.039 3.596 ( -4.112 5.569 5.771) 9.013 3.754 ( -3.411 -0.354 -5.792) 6.731 3.828 ( -0.374 0.772 -1.184) 1.462 4.035 ( -5.710 -1.772 0.019) 5.979 4.184 ( 3.028 -3.419 -0.307) 4.578 4.210 ( 6.756 -1.845 -0.331) 7.011 4.458 ( 4.646 -1.804 3.769) 6.248 4.493 ( -0.200 2.214 0.445) 2.268 4.833 ( -4.577 5.015 -7.198) 9.896 4.845 ( 3.251 -3.898 6.741) 8.439 4.946 ( -3.144 -0.301 2.113) 3.800 5.038 ( 5.379 1.253 7.459) 9.281 5.323 ( -0.578 0.763 5.828) 5.906 5.409 ( 5.176 -3.497 -1.383) 6.398 5.565 ( 5.139 2.309 2.141) 6.027 5.721 ( 0.495 0.287 -1.010) 1.160 5.858 ( 0.212 -5.509 0.514) 5.537 5.959 ( 2.674 4.554 2.785) 5.971 6.172 ( 2.515 1.625 2.979) 4.223 6.545 ( -6.787 1.079 0.450) 6.886 6.720 ( -3.561 -0.878 -2.779) 4.601 7.009 ( -0.917 -2.935 -2.696) 4.089 7.287 ( 1.820 -1.734 -3.415) 4.240 7.429 ( 2.909 2.684 -4.076) 5.682 7.543 ( -3.252 0.893 -5.014) 6.042 7.755 ( 2.964 0.564 1.458) 3.351 8.002 ( 2.208 1.030 -1.836) 3.051======================= Grid point 114 (39/196) =======================q-point: (-0.30 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 350Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.804 ( -10.550 9.373 -3.821) 14.621 1.107 ( -9.838 6.690 4.163) 12.604 1.605 ( 2.427 -2.073 -2.202) 3.877 1.676 ( -19.779 3.481 -3.543) 20.393 1.911 ( 0.295 -7.097 6.477) 9.612 2.149 ( -2.960 4.339 3.662) 6.403 2.268 ( -21.173 -0.999 15.228) 26.100 2.524 ( 0.415 -0.012 -4.637) 4.655 2.620 ( -0.561 -1.611 3.073) 3.515 2.702 ( -0.887 3.321 4.095) 5.347 2.934 ( -7.535 -4.650 -4.410) 9.892 3.057 ( -4.749 -2.028 0.931) 5.247 3.088 ( -1.380 -4.290 2.613) 5.209 3.179 ( 3.476 2.456 -1.442) 4.493 3.363 ( 1.229 0.107 2.575) 2.855 3.491 ( -4.629 3.166 2.099) 5.988 3.698 ( -2.150 -0.679 -7.497) 7.829 3.829 ( 1.487 2.721 0.009) 3.101 4.022 ( 2.621 -5.016 0.456) 5.677 4.237 ( 2.211 -1.022 2.641) 3.593 4.305 ( 2.263 -1.010 -2.127) 3.266 4.458 ( -1.779 5.400 0.472) 5.705 4.562 ( 4.222 -4.195 0.950) 6.027 4.740 ( -0.560 3.153 -6.447) 7.199 4.851 ( -4.731 -0.608 -1.006) 4.875 4.951 ( 2.282 -2.104 12.279) 12.665 5.160 ( 5.425 -1.885 6.039) 8.334 5.304 ( 0.488 1.816 9.536) 9.720 5.554 ( 6.845 -5.818 -0.618) 9.005 5.651 ( 4.806 2.408 0.057) 5.376 5.741 ( 1.390 -1.061 -2.368) 2.944 5.861 ( -1.670 -3.624 -0.351) 4.006 5.993 ( 2.862 4.642 3.514) 6.488 6.206 ( 0.945 1.371 4.008) 4.340 6.399 ( -7.315 2.173 -3.153) 8.257 6.646 ( -4.488 -1.278 -4.304) 6.348 7.009 ( -1.169 -4.847 -0.881) 5.063 7.324 ( 1.533 -1.466 -1.603) 2.658 7.467 ( 1.327 1.603 -4.637) 5.082 7.492 ( 0.712 2.822 -5.290) 6.038 7.813 ( 3.268 0.331 1.709) 3.702 8.044 ( 4.140 4.529 -2.639) 6.679======================= Grid point 115 (40/196) =======================q-point: (-0.20 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 352Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.548 ( -9.070 16.026 0.899) 18.437 0.880 ( -12.661 5.631 5.653) 14.965 1.208 ( -23.134 1.786 -0.913) 23.221 1.643 ( -5.131 -1.897 2.083) 5.853 1.780 ( -27.247 2.778 20.804) 34.394 1.965 ( -0.552 -8.975 0.871) 9.034 2.132 ( 2.319 4.963 4.234) 6.924 2.523 ( -0.055 -2.357 -5.319) 5.818 2.620 ( -7.587 -0.121 5.133) 9.161 2.687 ( -3.711 -3.425 -3.597) 6.200 2.767 ( -8.723 0.858 2.715) 9.175 2.827 ( -6.320 4.885 6.775) 10.474 3.119 ( -2.242 -0.750 5.026) 5.554 3.267 ( 6.333 -2.902 -4.381) 8.229 3.412 ( -2.848 0.493 -1.579) 3.294 3.443 ( 4.092 -0.827 -0.651) 4.225 3.702 ( 2.588 -2.564 -7.731) 8.546 3.844 ( 2.028 2.994 -0.377) 3.636 4.143 ( 5.551 -6.478 -0.643) 8.555 4.276 ( 0.246 0.897 -1.543) 1.801 4.299 ( -2.988 0.496 -3.115) 4.345 4.420 ( 3.841 4.143 6.236) 8.414 4.642 ( 2.012 -1.914 -0.861) 2.908 4.749 ( -4.755 -0.032 0.835) 4.828 4.765 ( 2.529 0.875 -0.997) 2.856 4.981 ( -1.753 -1.386 10.533) 10.767 5.238 ( 0.240 -9.711 4.377) 10.655 5.381 ( 7.045 2.415 6.832) 10.106 5.672 ( -1.439 0.780 -4.979) 5.241 5.685 ( 2.919 -2.071 0.747) 3.656 5.763 ( -0.144 -3.020 -4.816) 5.687 5.878 ( 2.961 0.264 -0.477) 3.011 6.012 ( 1.256 3.441 4.172) 5.552 6.147 ( -6.062 2.988 0.783) 6.804 6.311 ( -0.772 0.820 0.709) 1.331 6.575 ( -3.093 -1.666 -4.539) 5.740 7.015 ( -1.055 -5.237 1.140) 5.462 7.365 ( 1.927 -3.298 -1.196) 4.003 7.442 ( -0.318 2.338 -7.548) 7.909 7.536 ( 3.766 0.801 0.830) 3.938 7.868 ( 2.524 0.152 1.320) 2.852 8.092 ( 5.671 11.451 -3.973) 13.381======================= Grid point 116 (41/196) =======================q-point: (-0.10 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 350Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.346 ( -1.683 19.912 10.587) 22.614 0.584 ( -13.082 4.240 14.359) 19.882 0.932 ( -5.441 -2.009 14.428) 15.550 1.241 ( -27.721 1.322 27.296) 38.926 1.561 ( -4.991 1.053 4.382) 6.724 1.991 ( -0.314 -4.880 -3.630) 6.090 2.199 ( 2.890 0.859 -0.237) 3.024 2.356 ( -15.562 0.163 1.474) 15.633 2.456 ( -6.452 0.408 1.772) 6.703 2.566 ( -7.630 -3.629 1.835) 8.646 2.685 ( 2.405 1.696 0.091) 2.944 2.905 ( 6.770 2.641 4.378) 8.483 3.076 ( -3.831 -1.422 5.233) 6.639 3.336 ( -1.595 -0.510 -8.686) 8.846 3.385 ( 0.419 -2.576 -2.547) 3.647 3.474 ( 0.421 2.526 -1.747) 3.100 3.788 ( 5.336 -1.761 -5.043) 7.550 3.894 ( 4.652 0.283 -1.383) 4.861 4.173 ( -5.715 -1.565 -7.081) 9.233 4.194 ( -5.259 1.679 -4.192) 6.932 4.310 ( 2.453 -1.304 5.372) 6.048 4.562 ( 8.901 -1.020 5.723) 10.631 4.626 ( -2.003 2.627 -3.301) 4.670 4.689 ( -1.137 -1.403 5.902) 6.172 4.829 ( 3.009 -0.208 1.479) 3.359 4.938 ( -3.369 -0.110 8.358) 9.012 5.268 ( -10.092 -19.314 -5.950) 22.589 5.474 ( 1.867 10.091 -5.622) 11.702 5.560 ( -4.477 -2.548 -4.592) 6.901 5.700 ( 1.241 4.829 1.577) 5.230 5.739 ( -5.863 -8.372 -3.630) 10.846 5.873 ( -4.170 6.811 -1.718) 8.169 5.997 ( -0.479 0.586 1.607) 1.777 6.161 ( 11.491 1.439 12.197) 16.819 6.307 ( -0.310 0.214 1.561) 1.606 6.559 ( 1.103 -1.231 -2.402) 2.915 7.023 ( -1.293 -4.006 1.944) 4.636 7.414 ( 2.120 -0.306 -1.707) 2.739 7.442 ( 1.606 -1.044 -8.455) 8.669 7.649 ( 6.793 -10.615 7.704) 14.771 7.902 ( 1.116 0.233 0.509) 1.249 8.106 ( 5.331 22.360 -5.613) 23.662======================= Grid point 118 (42/196) =======================q-point: ( 0.10 0.10 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 195Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.860 ( 15.829 0.000 4.315) 16.407 0.962 ( 16.878 0.000 16.482) 23.591 1.407 ( 9.713 0.000 11.012) 14.683 1.773 ( -4.008 -0.000 0.776) 4.083 1.851 ( 1.238 0.000 3.252) 3.480 1.888 ( 25.432 0.000 19.328) 31.943 1.975 ( 6.857 0.000 2.057) 7.159 2.345 ( -1.456 -0.000 -9.492) 9.603 2.498 ( 5.000 0.000 -9.362) 10.614 2.726 ( 6.567 0.000 3.366) 7.379 2.913 ( 0.459 0.000 7.292) 7.307 2.987 ( 15.262 0.000 1.349) 15.321 3.044 ( -2.174 -0.000 4.572) 5.062 3.377 ( 4.199 0.000 0.612) 4.243 3.393 ( -2.431 -0.000 1.903) 3.087 3.578 ( -1.907 -0.000 1.775) 2.605 3.824 ( -1.292 -0.000 -2.934) 3.206 3.923 ( -4.329 -0.000 -2.105) 4.814 3.947 ( 4.082 0.000 -2.118) 4.598 4.099 ( -6.668 -0.000 -1.388) 6.811 4.351 ( -5.188 -0.000 -8.610) 10.053 4.354 ( 6.185 0.000 3.632) 7.172 4.489 ( 0.714 0.000 -0.477) 0.859 4.711 ( -3.943 -0.000 2.110) 4.472 4.819 ( 0.039 0.000 -3.012) 3.012 4.946 ( 0.297 0.000 2.155) 2.176 5.101 ( 5.892 0.000 12.451) 13.775 5.162 ( -7.565 -0.000 2.323) 7.913 5.566 ( -1.427 -0.000 -3.174) 3.480 5.570 ( -4.768 -0.000 -5.293) 7.124 5.711 ( 2.343 0.000 -7.156) 7.530 5.852 ( -2.208 -0.000 -0.702) 2.317 5.864 ( 2.656 0.000 -0.398) 2.685 6.180 ( -3.915 -0.000 -2.074) 4.431 6.757 ( 1.988 0.000 2.371) 3.095 6.768 ( -1.606 -0.000 7.558) 7.727 6.961 ( 0.572 0.000 -4.368) 4.405 7.393 ( -3.508 -0.000 -4.410) 5.635 7.556 ( -4.051 -0.000 0.572) 4.091 7.649 ( 2.700 0.000 4.387) 5.151 7.793 ( -3.345 -0.000 -2.284) 4.050 7.980 ( -1.390 -0.000 -2.989) 3.297======================= Grid point 119 (43/196) =======================q-point: ( 0.20 0.10 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 350Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.082 ( 7.619 0.813 2.756) 8.143 1.288 ( 15.495 -1.776 15.601) 22.060 1.617 ( -6.391 0.537 -4.029) 7.574 1.661 ( 11.987 -1.431 0.807) 12.099 1.783 ( -2.566 0.546 0.642) 2.700 2.100 ( 4.386 0.404 5.787) 7.273 2.347 ( 3.405 1.141 -10.223) 10.835 2.422 ( 23.288 -1.256 17.631) 29.237 2.519 ( -1.171 -3.181 -4.893) 5.952 2.756 ( -1.749 0.936 4.714) 5.115 2.944 ( 4.664 3.453 -0.111) 5.804 3.150 ( 8.022 0.939 4.141) 9.077 3.188 ( 2.074 -2.366 2.286) 3.889 3.271 ( -8.423 -0.936 1.831) 8.671 3.468 ( 6.098 5.700 2.345) 8.671 3.540 ( 0.907 -1.174 4.874) 5.095 3.795 ( -0.690 0.297 -2.171) 2.298 3.855 ( -2.371 -1.404 -1.869) 3.329 3.961 ( -7.048 0.149 -0.188) 7.053 4.085 ( 8.440 -1.540 -3.382) 9.222 4.239 ( -6.058 -0.068 -6.277) 8.724 4.414 ( -1.464 -0.754 -2.085) 2.657 4.546 ( 5.930 1.301 3.000) 6.772 4.633 ( -3.582 2.343 2.919) 5.181 4.787 ( -2.951 -1.425 -3.736) 4.969 4.970 ( 1.607 -1.750 0.343) 2.401 5.088 ( -1.208 -0.533 5.347) 5.508 5.211 ( 3.739 -0.238 10.533) 11.179 5.480 ( -3.658 0.115 -2.457) 4.408 5.512 ( -2.384 3.595 -2.074) 4.786 5.736 ( 0.070 -1.842 -7.001) 7.239 5.826 ( -0.820 0.369 -0.938) 1.299 5.915 ( 3.414 2.407 0.401) 4.196 6.115 ( -2.976 -1.429 -2.089) 3.907 6.726 ( -3.427 -0.648 9.986) 10.577 6.783 ( 0.650 0.030 1.676) 1.798 6.972 ( 1.577 1.095 -5.218) 5.560 7.323 ( -2.962 1.507 -4.220) 5.371 7.496 ( -2.833 -0.343 -3.247) 4.323 7.678 ( -0.091 -0.050 2.593) 2.595 7.742 ( -1.996 -0.579 -1.414) 2.514 7.966 ( -1.050 -2.533 -2.585) 3.769======================= Grid point 120 (44/196) =======================q-point: ( 0.30 0.10 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 350Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.166 ( 3.365 1.920 2.430) 4.574 1.381 ( -8.380 -2.207 0.748) 8.698 1.642 ( 11.313 -1.362 9.623) 14.915 1.684 ( -4.032 -1.810 -1.784) 4.766 1.997 ( 16.893 1.440 -1.860) 17.056 2.115 ( -2.168 2.048 5.776) 6.500 2.418 ( 2.409 1.160 -5.829) 6.413 2.462 ( 1.410 -3.190 -0.450) 3.516 2.753 ( 5.879 5.133 3.104) 8.399 2.843 ( 9.600 -3.138 6.857) 12.208 2.928 ( -5.272 5.529 -1.049) 7.711 3.045 ( -6.198 -3.648 -2.767) 7.706 3.210 ( -1.809 0.195 5.621) 5.908 3.232 ( -4.092 -3.238 6.220) 8.119 3.511 ( 1.059 5.627 2.392) 6.205 3.623 ( 5.122 1.155 2.141) 5.670 3.825 ( 2.256 -0.965 -0.809) 2.584 3.863 ( 1.034 -4.299 -3.107) 5.404 3.895 ( 2.787 -0.253 1.323) 3.096 4.090 ( -6.307 0.477 -10.490) 12.250 4.257 ( 6.352 -0.839 5.407) 8.384 4.329 ( -6.893 -0.053 -2.565) 7.355 4.563 ( -2.058 2.464 3.671) 4.877 4.656 ( 3.756 -0.841 2.946) 4.847 4.773 ( 2.545 0.339 3.391) 4.253 5.005 ( 0.503 -1.674 -0.420) 1.798 5.116 ( 2.570 -2.576 0.426) 3.664 5.208 ( -3.960 0.860 -1.951) 4.497 5.446 ( -1.184 4.390 -0.089) 4.548 5.481 ( 1.839 -0.243 8.676) 8.872 5.728 ( -0.886 -2.384 -4.820) 5.450 5.799 ( -1.708 0.976 -0.582) 2.052 5.957 ( 3.151 5.148 1.255) 6.165 6.097 ( 0.095 -2.619 -1.162) 2.866 6.681 ( -3.032 -1.677 8.272) 8.968 6.784 ( -0.604 0.024 0.114) 0.615 7.000 ( 2.780 1.861 -4.705) 5.773 7.257 ( -3.805 -1.715 -5.615) 6.996 7.452 ( -1.291 0.837 -3.745) 4.049 7.660 ( -1.674 0.334 0.203) 1.719 7.720 ( -0.720 -0.371 -0.365) 0.889 7.962 ( -0.194 -1.485 -2.031) 2.523======================= Grid point 121 (45/196) =======================q-point: ( 0.40 0.10 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 350Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.197 ( -2.934 2.505 -0.900) 3.961 1.264 ( 0.035 -1.104 2.063) 2.340 1.604 ( -5.156 -1.075 -0.716) 5.315 1.822 ( 4.219 0.619 7.338) 8.487 2.070 ( -0.069 0.391 7.922) 7.932 2.234 ( 7.614 1.721 -3.522) 8.563 2.426 ( 1.496 -2.331 -1.682) 3.241 2.548 ( -1.796 1.440 4.740) 5.270 2.706 ( 1.636 4.464 -9.582) 10.697 2.793 ( -4.274 0.061 -0.408) 4.293 2.949 ( -4.308 -4.172 1.110) 6.099 3.041 ( 3.045 4.481 -0.657) 5.458 3.159 ( -3.973 -3.582 5.985) 8.027 3.167 ( -4.307 -3.640 9.045) 10.659 3.470 ( -2.103 3.133 0.844) 3.866 3.685 ( 2.808 3.719 3.510) 5.834 3.834 ( -0.081 -0.344 -0.640) 0.732 3.859 ( -6.725 -1.638 -5.095) 8.595 4.024 ( 6.960 -3.204 -2.753) 8.142 4.049 ( 5.468 -0.854 -2.826) 6.214 4.174 ( -8.815 -0.981 -1.362) 8.973 4.367 ( 4.364 0.321 6.920) 8.187 4.529 ( -0.744 1.832 3.479) 4.002 4.721 ( 2.694 -3.251 4.066) 5.861 4.866 ( 6.381 2.442 6.639) 9.527 4.989 ( -3.434 -1.102 -1.601) 3.946 5.094 ( -3.746 3.511 -5.246) 7.341 5.213 ( 4.108 -4.398 -2.212) 6.412 5.405 ( -1.403 2.424 2.833) 3.984 5.530 ( 2.794 2.176 5.852) 6.840 5.744 ( 0.632 -4.732 1.210) 4.925 5.758 ( -1.934 0.507 -0.544) 2.072 5.986 ( 3.239 5.932 2.046) 7.061 6.132 ( 2.218 -1.385 0.674) 2.700 6.639 ( -3.391 -0.784 4.856) 5.974 6.760 ( -2.143 -0.621 -1.456) 2.664 7.024 ( 0.731 3.259 -4.236) 5.394 7.214 ( -1.320 -5.809 -5.523) 8.123 7.439 ( 1.181 2.363 -3.631) 4.490 7.614 ( -3.031 0.134 -2.525) 3.947 7.724 ( 1.316 0.551 0.724) 1.600 7.974 ( 1.217 -0.489 -1.808) 2.234======================= Grid point 122 (46/196) =======================q-point: (-0.50 0.10 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 350Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.071 ( -5.987 5.618 -0.575) 8.230 1.332 ( 1.571 3.553 2.118) 4.425 1.509 ( -2.617 -0.248 0.539) 2.684 1.817 ( -3.774 -4.076 4.284) 7.015 2.105 ( -6.407 5.957 0.969) 8.802 2.171 ( -2.423 0.509 3.330) 4.149 2.452 ( -3.229 -0.952 4.805) 5.867 2.538 ( 5.650 -2.037 1.256) 6.136 2.612 ( -10.769 -0.877 -4.527) 11.715 2.837 ( -9.370 -4.556 -1.760) 10.566 2.872 ( 7.021 -0.521 -7.641) 10.389 3.032 ( 1.547 4.781 6.932) 8.562 3.105 ( -4.678 -4.523 5.385) 8.446 3.150 ( -0.774 0.272 4.706) 4.777 3.428 ( -1.629 1.192 0.771) 2.161 3.652 ( -5.815 4.637 2.662) 7.900 3.749 ( -2.415 -0.573 -5.980) 6.475 3.835 ( 0.477 0.407 0.396) 0.741 4.001 ( -7.658 -3.726 -2.631) 8.913 4.172 ( 5.869 0.243 0.564) 5.901 4.186 ( 6.526 -2.695 -0.741) 7.100 4.440 ( 3.236 -0.591 5.967) 6.814 4.517 ( -0.194 1.434 3.483) 3.771 4.801 ( 2.841 -4.312 4.815) 7.060 4.866 ( -5.450 1.603 -6.509) 8.639 4.963 ( 0.285 3.157 3.075) 4.416 5.057 ( 3.444 2.494 3.658) 5.609 5.313 ( 3.334 -3.313 -0.974) 4.800 5.379 ( -0.086 -1.190 4.497) 4.653 5.592 ( 5.277 2.670 1.628) 6.134 5.727 ( -0.519 0.784 -0.064) 0.942 5.786 ( -0.372 -7.239 2.900) 7.807 6.019 ( 3.428 5.966 1.997) 7.165 6.183 ( 2.637 0.321 2.995) 4.003 6.559 ( -5.541 1.553 0.396) 5.769 6.709 ( -3.773 -1.144 -2.976) 4.939 6.987 ( -2.673 -1.264 -3.521) 4.597 7.259 ( 2.704 -3.377 -2.859) 5.185 7.459 ( 2.697 2.646 -3.709) 5.295 7.552 ( -2.631 0.833 -5.358) 6.027 7.762 ( 2.882 0.639 1.636) 3.375 8.013 ( 3.589 1.011 -2.300) 4.381======================= Grid point 123 (47/196) =======================q-point: (-0.40 0.10 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 350Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.919 ( -5.873 11.908 0.252) 13.280 1.185 ( -10.467 7.752 5.228) 14.035 1.580 ( 3.672 -2.577 -1.778) 4.826 1.711 ( -16.073 1.605 -1.025) 16.185 1.844 ( -6.127 -3.926 3.376) 8.022 2.184 ( -8.417 1.641 3.399) 9.224 2.268 ( -10.670 1.608 10.514) 15.066 2.521 ( -2.630 -0.837 -4.511) 5.288 2.602 ( 0.680 -1.519 2.887) 3.332 2.718 ( -2.772 -1.170 0.748) 3.101 2.875 ( -5.881 -5.984 -2.697) 8.813 3.037 ( -6.553 -4.539 4.615) 9.211 3.064 ( 0.500 3.550 4.228) 5.544 3.203 ( 7.135 1.909 -2.451) 7.782 3.367 ( -3.296 0.450 4.336) 5.465 3.524 ( -5.701 2.897 0.859) 6.452 3.683 ( -4.367 -2.456 -7.286) 8.843 3.859 ( 2.673 2.743 0.991) 3.956 3.969 ( 2.435 -4.114 -0.975) 4.879 4.250 ( 3.839 2.742 2.949) 5.564 4.288 ( 2.645 -2.210 -2.029) 3.999 4.485 ( -1.567 0.140 4.251) 4.533 4.528 ( 2.816 -2.587 2.992) 4.855 4.767 ( -1.641 1.836 -5.837) 6.335 4.853 ( -1.744 0.456 -1.976) 2.675 4.932 ( 0.099 -0.547 9.096) 9.113 5.144 ( 3.237 -1.107 3.527) 4.914 5.320 ( 0.244 1.182 8.587) 8.671 5.480 ( 5.435 -7.709 -0.144) 9.433 5.681 ( 5.076 3.022 -1.296) 6.048 5.735 ( 1.405 -0.314 -0.079) 1.442 5.815 ( 0.260 -4.831 1.948) 5.215 6.044 ( 2.006 4.712 2.106) 5.537 6.221 ( 1.222 1.407 3.729) 4.169 6.426 ( -7.033 2.702 -3.315) 8.231 6.630 ( -4.990 -1.653 -4.578) 6.971 6.957 ( -1.997 -4.601 -0.772) 5.075 7.309 ( 1.416 -1.397 -0.182) 1.997 7.486 ( 0.798 1.929 -5.064) 5.477 7.517 ( 1.146 1.848 -5.661) 6.064 7.818 ( 3.284 0.608 1.934) 3.860 8.096 ( 7.595 4.955 -3.921) 9.880======================= Grid point 124 (48/196) =======================q-point: (-0.30 0.10 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 350Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.740 ( -4.189 18.842 5.261) 20.006 0.952 ( -11.162 6.881 7.802) 15.258 1.252 ( -23.667 7.306 -4.604) 25.193 1.620 ( -6.578 -2.356 3.375) 7.760 1.811 ( -22.259 2.197 18.556) 29.062 1.858 ( -1.734 -10.228 1.001) 10.423 2.187 ( 0.015 5.243 3.084) 6.083 2.488 ( -0.676 -3.992 -3.783) 5.541 2.615 ( -7.365 -0.921 4.241) 8.548 2.658 ( -4.680 -2.062 -5.801) 7.733 2.761 ( -8.765 -1.394 3.966) 9.721 2.887 ( -1.654 5.495 5.404) 7.882 3.099 ( -2.045 -2.843 3.836) 5.194 3.251 ( 3.667 0.519 -0.733) 3.775 3.411 ( -3.041 -0.971 -1.437) 3.501 3.426 ( 3.539 -1.977 1.041) 4.185 3.667 ( 1.684 -4.048 -7.453) 8.647 3.883 ( 1.737 4.260 -0.035) 4.600 4.080 ( 5.864 -4.675 -0.524) 7.518 4.287 ( -1.408 -0.197 -6.289) 6.447 4.309 ( 0.831 2.415 4.792) 5.430 4.444 ( 0.216 0.330 5.567) 5.580 4.610 ( 2.618 -4.388 3.209) 6.034 4.766 ( -4.421 3.794 -1.791) 6.095 4.772 ( 2.285 0.453 -2.306) 3.277 4.957 ( -1.368 -3.297 10.315) 10.915 5.148 ( -4.558 -6.801 2.452) 8.547 5.391 ( 5.996 -0.114 7.131) 9.317 5.606 ( 2.540 -8.888 0.950) 9.293 5.708 ( -0.201 4.021 -9.292) 10.127 5.764 ( 1.060 1.082 0.361) 1.557 5.864 ( 2.590 -2.255 0.712) 3.508 6.054 ( 2.109 3.869 3.128) 5.404 6.181 ( -4.951 3.201 0.444) 5.913 6.324 ( -1.493 1.446 -0.092) 2.081 6.552 ( -3.677 -2.603 -4.695) 6.507 6.954 ( -1.483 -5.614 2.094) 6.172 7.341 ( 1.766 -1.490 1.563) 2.790 7.462 ( -1.039 1.554 -7.492) 7.722 7.544 ( 1.859 0.708 -1.683) 2.605 7.873 ( 2.719 0.734 1.604) 3.241 8.226 ( 11.993 12.695 -7.055) 18.835======================= Grid point 125 (49/196) =======================q-point: (-0.20 0.10 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 350Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.617 ( 2.757 24.303 12.650) 27.537 0.673 ( -14.693 14.044 6.781) 21.426 0.902 ( -7.424 -2.468 12.477) 14.727 1.268 ( -25.742 3.810 25.277) 36.279 1.579 ( -4.993 1.991 6.251) 8.245 1.902 ( -0.936 -11.039 -2.685) 11.399 2.214 ( 2.590 1.983 1.466) 3.577 2.371 ( -14.534 2.845 0.906) 14.837 2.460 ( -7.629 0.103 0.668) 7.659 2.511 ( -5.477 -6.097 1.722) 8.374 2.702 ( 0.743 0.816 -0.340) 1.155 2.947 ( 5.503 4.443 2.983) 7.676 3.051 ( -3.142 -2.885 5.036) 6.599 3.325 ( 0.089 -1.374 -5.659) 5.824 3.354 ( -0.951 -2.733 -1.253) 3.153 3.498 ( 1.879 1.095 -1.111) 2.442 3.755 ( 5.319 -4.224 -4.133) 7.951 3.903 ( 3.142 1.744 -1.212) 3.792 4.160 ( -1.966 -0.918 -2.105) 3.023 4.208 ( -5.323 0.790 -6.931) 8.775 4.295 ( 0.551 -0.758 5.662) 5.739 4.538 ( 5.018 -3.476 4.083) 7.344 4.657 ( -0.316 -4.364 5.470) 7.004 4.674 ( -0.872 5.436 0.082) 5.506 4.823 ( 2.022 -1.090 0.796) 2.431 4.933 ( -2.743 -1.633 8.832) 9.391 5.066 ( -11.994 -15.141 3.071) 19.558 5.509 ( 3.930 -2.845 2.755) 5.580 5.578 ( -8.144 5.461 -15.999) 18.765 5.647 ( -2.454 -7.191 -1.976) 7.851 5.762 ( 0.934 5.369 1.195) 5.579 5.909 ( 0.234 -0.328 -0.010) 0.403 6.024 ( -4.630 4.177 -3.574) 7.187 6.183 ( 10.299 2.071 10.813) 15.075 6.313 ( -0.116 0.965 0.843) 1.287 6.536 ( 0.927 -3.066 -2.209) 3.891 6.961 ( -1.687 -6.231 4.584) 7.917 7.404 ( 4.029 -1.607 1.686) 4.654 7.427 ( -1.630 -1.046 -6.385) 6.672 7.571 ( 0.659 -3.072 2.636) 4.101 7.908 ( 1.294 0.843 0.745) 1.715 8.373 ( 14.541 23.366 -13.927) 30.845======================= Grid point 126 (50/196) =======================q-point: (-0.10 0.10 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 350Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.478 ( 5.322 13.258 15.517) 21.092 0.611 ( -3.554 6.623 24.253) 25.391 0.926 ( 7.401 12.845 34.725) 37.757 1.091 ( 11.836 -10.391 13.405) 20.683 1.558 ( 3.376 1.879 7.550) 8.481 1.913 ( -3.703 -9.145 -2.514) 10.181 2.141 ( -9.618 7.479 -3.841) 12.775 2.190 ( 0.118 -0.615 -0.488) 0.793 2.397 ( -1.835 -1.360 7.778) 8.107 2.461 ( 1.390 -3.723 -1.344) 4.195 2.736 ( 2.272 -1.218 -2.048) 3.292 2.948 ( -3.516 0.241 -0.813) 3.617 3.080 ( 3.647 5.243 7.302) 9.701 3.223 ( -3.689 -0.046 0.128) 3.692 3.395 ( 0.497 -1.880 -3.229) 3.770 3.500 ( 1.010 3.087 -0.270) 3.259 3.863 ( 3.759 -2.219 -1.501) 4.616 3.956 ( 0.230 -1.979 -1.784) 2.674 4.031 ( -5.777 3.303 -3.424) 7.484 4.143 ( 0.124 0.423 1.864) 1.916 4.295 ( -2.973 -0.067 5.531) 6.280 4.559 ( -2.686 -1.526 -0.950) 3.232 4.644 ( -7.613 -1.426 -1.479) 7.885 4.695 ( 1.046 -2.859 3.219) 4.431 4.827 ( -3.248 -7.308 3.576) 8.760 4.919 ( -0.590 1.631 7.927) 8.114 4.940 ( 0.667 -1.211 6.632) 6.775 5.419 ( -3.309 -1.929 -7.246) 8.196 5.552 ( -4.463 -6.534 -2.185) 8.209 5.661 ( 2.757 -1.333 -2.125) 3.727 5.742 ( -0.983 3.357 -0.267) 3.508 5.822 ( -3.067 9.621 -3.997) 10.860 5.973 ( -2.368 -1.985 0.667) 3.161 6.295 ( -1.375 0.946 0.074) 1.671 6.477 ( 18.334 -2.690 3.035) 18.778 6.604 ( 4.427 -2.266 0.445) 4.993 6.962 ( -2.336 -6.350 4.328) 8.032 7.415 ( -1.251 -7.134 -4.365) 8.457 7.490 ( 4.540 1.151 0.205) 4.688 7.623 ( -0.165 -13.147 7.799) 15.287 7.907 ( -1.135 0.605 -0.334) 1.329 8.381 ( 0.204 34.005 -22.015) 40.509======================= Grid point 129 (51/196) =======================q-point: ( 0.20 0.20 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.177 ( 3.338 0.000 2.554) 4.204 1.369 ( -8.089 -0.000 0.299) 8.094 1.635 ( 12.224 0.000 10.159) 15.895 1.674 ( -4.428 -0.000 -2.292) 4.986 2.005 ( 16.675 0.000 -1.452) 16.738 2.125 ( -2.254 -0.000 5.801) 6.224 2.427 ( -3.594 -0.000 -0.112) 3.596 2.441 ( 7.382 0.000 -7.351) 10.417 2.790 ( 12.822 0.000 11.095) 16.956 2.815 ( 4.734 0.000 2.381) 5.299 2.982 ( -14.617 -0.000 1.050) 14.655 3.006 ( 1.449 0.000 -7.529) 7.667 3.211 ( -4.152 -0.000 6.287) 7.534 3.212 ( -2.261 -0.000 5.527) 5.971 3.548 ( -0.857 -0.000 3.188) 3.301 3.625 ( 6.772 0.000 1.644) 6.969 3.820 ( 3.811 0.000 0.059) 3.812 3.837 ( -0.037 -0.000 -4.486) 4.486 3.895 ( 1.852 0.000 2.642) 3.227 4.093 ( -6.267 -0.000 -10.895) 12.569 4.253 ( 7.159 0.000 4.704) 8.566 4.327 ( -7.208 -0.000 -3.344) 7.946 4.580 ( -2.758 -0.000 4.942) 5.659 4.647 ( 2.944 0.000 2.405) 3.802 4.776 ( 3.513 0.000 3.674) 5.083 4.998 ( 1.574 0.000 -2.207) 2.711 5.100 ( 1.888 0.000 1.940) 2.707 5.213 ( -3.692 -0.000 -1.948) 4.174 5.474 ( -2.354 -0.000 0.422) 2.391 5.479 ( 2.810 0.000 9.284) 9.699 5.708 ( -1.636 -0.000 -5.879) 6.103 5.807 ( -1.545 -0.000 0.243) 1.564 5.993 ( 3.987 0.000 -0.009) 3.987 6.076 ( -0.387 -0.000 -0.342) 0.516 6.672 ( -2.931 -0.000 8.242) 8.748 6.785 ( -0.706 -0.000 0.043) 0.707 7.012 ( 3.364 0.000 -4.724) 5.799 7.245 ( -5.303 -0.000 -5.740) 7.815 7.457 ( -0.837 -0.000 -3.626) 3.722 7.663 ( -1.882 -0.000 0.309) 1.907 7.717 ( -0.292 -0.000 -0.338) 0.447 7.954 ( 0.325 0.000 -2.044) 2.069======================= Grid point 130 (52/196) =======================q-point: ( 0.30 0.20 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 350Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.222 ( -4.466 1.912 0.175) 4.862 1.252 ( 3.196 -1.028 2.061) 3.939 1.590 ( -4.972 -0.984 -1.571) 5.307 1.828 ( 5.219 0.379 7.599) 9.227 2.073 ( -1.693 0.237 8.160) 8.337 2.249 ( 9.089 0.883 -3.581) 9.809 2.409 ( 1.122 -0.845 -1.058) 1.758 2.556 ( -0.300 0.234 3.127) 3.150 2.747 ( -1.899 2.449 -9.871) 10.346 2.798 ( -6.774 0.766 -3.023) 7.457 2.907 ( -3.309 -2.976 6.172) 7.610 3.075 ( 5.847 1.740 -1.590) 6.304 3.134 ( -5.050 -1.855 9.884) 11.253 3.138 ( -3.524 -0.943 4.196) 5.560 3.498 ( -3.577 1.739 2.330) 4.610 3.710 ( 2.865 1.137 2.608) 4.038 3.829 ( -0.267 -0.316 0.014) 0.414 3.844 ( -4.918 -1.034 -5.515) 7.461 4.007 ( 7.383 -0.334 -2.065) 7.674 4.039 ( 4.023 -0.775 -3.337) 5.284 4.165 ( -9.068 -0.506 -2.323) 9.375 4.370 ( 4.796 0.132 6.479) 8.063 4.546 ( -1.245 1.122 6.302) 6.521 4.692 ( 2.168 -1.790 3.230) 4.282 4.886 ( 6.717 1.048 7.567) 10.173 4.988 ( -3.164 0.394 -5.407) 6.277 5.127 ( -1.608 3.008 -3.946) 5.216 5.165 ( 2.487 -4.202 -1.948) 5.257 5.430 ( -2.068 1.784 2.320) 3.583 5.545 ( 3.191 0.773 6.897) 7.638 5.691 ( -0.514 -3.297 0.546) 3.381 5.771 ( -2.013 0.732 0.778) 2.279 6.045 ( 3.214 4.648 0.864) 5.717 6.109 ( 2.623 -2.749 1.573) 4.112 6.633 ( -2.386 -0.294 4.812) 5.379 6.755 ( -2.469 -0.268 -1.739) 3.032 7.073 ( 1.871 5.465 -4.162) 7.119 7.147 ( -3.091 -6.411 -5.663) 9.095 7.457 ( 1.266 0.903 -3.471) 3.803 7.615 ( -2.901 0.094 -2.716) 3.975 7.728 ( 1.442 0.195 0.887) 1.705 7.970 ( 1.685 -0.187 -1.925) 2.565======================= Grid point 131 (53/196) =======================q-point: (-0.60 0.20 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 352Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.132 ( -2.988 5.149 2.912) 6.627 1.359 ( 5.354 1.599 1.800) 5.871 1.496 ( -5.044 -2.004 0.100) 5.428 1.786 ( -7.666 -1.723 3.541) 8.618 2.147 ( 6.469 1.234 8.218) 10.531 2.198 ( -12.204 4.720 -1.344) 13.153 2.434 ( -3.267 -2.069 -2.316) 4.507 2.523 ( 3.970 -1.075 3.008) 5.095 2.610 ( -9.247 0.337 -6.626) 11.380 2.776 ( -10.066 -5.365 3.370) 11.894 2.868 ( 4.395 -0.377 -8.887) 9.921 3.054 ( -2.174 -0.855 5.677) 6.139 3.071 ( -1.948 -1.466 8.003) 8.366 3.194 ( 3.286 6.467 3.541) 8.072 3.427 ( -3.590 -1.353 3.266) 5.039 3.691 ( -6.579 2.819 -2.704) 7.651 3.741 ( -2.324 -1.075 -3.642) 4.452 3.835 ( 1.000 -0.332 2.234) 2.471 3.975 ( -7.107 -1.053 -3.741) 8.100 4.157 ( 6.214 -2.273 -1.081) 6.705 4.177 ( 7.156 0.267 0.524) 7.180 4.442 ( 2.643 0.400 7.033) 7.524 4.527 ( -1.220 0.782 6.692) 6.848 4.758 ( 2.927 -3.470 4.119) 6.130 4.879 ( -5.779 0.968 -7.494) 9.512 4.994 ( 3.260 2.198 5.512) 6.770 5.091 ( 1.079 3.906 -1.315) 4.260 5.261 ( 4.664 -5.608 -3.054) 7.908 5.382 ( -2.553 1.156 5.644) 6.302 5.616 ( 5.274 1.686 1.214) 5.668 5.715 ( -0.019 -4.831 4.463) 6.577 5.738 ( -0.932 0.202 1.407) 1.700 6.076 ( 2.520 4.524 1.215) 5.319 6.179 ( 3.343 -0.989 3.413) 4.879 6.576 ( -4.436 1.357 0.591) 4.676 6.697 ( -3.951 -1.027 -3.314) 5.258 6.982 ( -5.202 0.109 -4.576) 6.929 7.224 ( 4.729 -2.757 -1.787) 5.759 7.481 ( 2.306 1.439 -3.706) 4.596 7.560 ( -2.277 0.495 -5.574) 6.041 7.768 ( 2.844 0.436 1.771) 3.379 8.022 ( 4.659 0.614 -2.659) 5.400======================= Grid point 132 (54/196) =======================q-point: (-0.50 0.20 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 350Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.042 ( -3.015 10.933 4.660) 12.261 1.260 ( -10.900 5.997 5.680) 13.676 1.553 ( 5.573 -2.209 -1.617) 6.209 1.677 ( -7.155 -6.694 4.723) 10.877 1.863 ( -16.917 6.177 -0.847) 18.029 2.177 ( -15.608 -2.478 -1.044) 15.838 2.304 ( 1.124 4.400 5.641) 7.242 2.501 ( -8.135 -2.948 -1.239) 8.741 2.596 ( 3.391 0.438 0.183) 3.424 2.683 ( -0.887 -4.496 0.567) 4.618 2.817 ( -7.113 -4.886 -0.764) 8.663 2.994 ( -5.790 -3.273 4.348) 7.946 3.129 ( 0.574 7.610 6.772) 10.203 3.219 ( 7.625 1.233 -1.880) 7.949 3.364 ( -5.491 -1.485 5.288) 7.766 3.553 ( -6.819 2.660 -0.495) 7.336 3.648 ( -6.630 -3.741 -5.828) 9.587 3.884 ( 4.192 2.040 1.580) 4.922 3.943 ( 3.210 -1.034 -1.358) 3.635 4.258 ( 2.712 -2.953 -2.739) 4.856 4.283 ( 4.953 2.661 2.390) 6.110 4.484 ( 0.976 -0.486 5.606) 5.711 4.499 ( -2.237 -2.018 6.864) 7.496 4.781 ( -1.804 0.910 -4.643) 5.064 4.838 ( 1.596 -3.145 1.603) 3.874 4.961 ( -2.639 5.542 1.459) 6.309 5.134 ( 1.374 -1.219 0.882) 2.037 5.327 ( -0.116 -0.199 4.557) 4.563 5.405 ( 4.762 -5.925 3.179) 8.240 5.710 ( 4.883 2.083 -0.762) 5.363 5.732 ( 1.073 -0.251 1.437) 1.811 5.768 ( 2.595 -3.733 2.704) 5.290 6.087 ( 0.896 3.405 1.141) 3.701 6.234 ( 1.787 0.923 3.633) 4.153 6.453 ( -7.255 2.226 -3.114) 8.203 6.613 ( -5.293 -1.398 -4.952) 7.382 6.916 ( -2.544 -3.066 -0.844) 4.072 7.296 ( 1.997 -1.003 0.913) 2.414 7.506 ( 0.642 1.727 -5.286) 5.598 7.530 ( 0.774 0.604 -5.879) 5.961 7.825 ( 3.355 0.599 2.096) 4.001 8.142 ( 10.258 3.568 -4.941) 11.931======================= Grid point 133 (55/196) =======================q-point: (-0.40 0.20 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 352Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.921 ( -3.015 14.320 8.620) 16.984 1.010 ( -13.031 4.813 10.225) 17.249 1.371 ( -19.211 14.708 -6.545) 25.065 1.593 ( -7.125 -3.095 4.125) 8.796 1.733 ( -2.261 -10.513 3.418) 11.283 1.846 ( -17.826 1.842 10.785) 20.916 2.232 ( -3.244 2.539 1.780) 4.487 2.450 ( -0.263 -2.297 -2.606) 3.484 2.599 ( -7.126 -2.208 4.856) 8.902 2.641 ( -6.005 -1.282 -7.064) 9.360 2.742 ( -4.875 -2.236 3.116) 6.203 2.928 ( 1.464 1.844 5.577) 6.054 3.079 ( -4.453 0.079 3.886) 5.911 3.269 ( 0.561 2.149 1.892) 2.917 3.387 ( 4.421 -2.791 -0.054) 5.229 3.412 ( -5.168 -1.036 2.603) 5.878 3.619 ( 1.235 -4.663 -6.857) 8.383 3.933 ( 2.389 5.060 0.263) 5.602 4.047 ( 6.357 -1.783 -0.553) 6.625 4.270 ( -2.151 -2.722 -5.657) 6.636 4.344 ( 2.407 3.615 5.010) 6.630 4.439 ( -2.306 -0.509 6.217) 6.651 4.551 ( 1.468 -6.401 5.666) 8.673 4.775 ( 1.576 0.142 -2.977) 3.371 4.820 ( -3.018 5.190 -3.065) 6.741 4.916 ( -2.310 -3.567 9.375) 10.293 5.099 ( -5.582 -2.672 0.524) 6.211 5.380 ( 4.301 -2.090 5.063) 6.964 5.521 ( 2.953 -6.577 1.435) 7.351 5.752 ( 1.334 3.760 -8.487) 9.378 5.770 ( 2.534 0.279 2.765) 3.761 5.841 ( 2.347 -1.866 0.627) 3.064 6.087 ( 1.398 2.268 1.838) 3.236 6.209 ( -4.371 2.037 1.076) 4.940 6.340 ( -2.113 1.521 -0.439) 2.640 6.525 ( -4.263 -2.351 -5.112) 7.059 6.905 ( -1.133 -3.690 2.422) 4.557 7.331 ( 1.879 -0.554 2.863) 3.469 7.476 ( -1.917 1.060 -7.032) 7.365 7.551 ( 1.412 0.602 -3.208) 3.556 7.882 ( 2.870 0.857 1.804) 3.496 8.342 ( 15.390 8.961 -8.981) 19.945======================= Grid point 134 (56/196) =======================q-point: (-0.30 0.20 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 350Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.767 ( -10.023 6.668 13.876) 18.371 0.815 ( -6.320 6.496 15.405) 17.874 0.988 ( -6.253 20.979 0.364) 21.894 1.319 ( -19.642 5.826 18.346) 27.502 1.598 ( -6.027 1.595 10.259) 12.005 1.785 ( -0.885 -9.714 -2.075) 9.973 2.237 ( 1.621 1.724 1.724) 2.928 2.403 ( -13.205 1.376 2.725) 13.553 2.446 ( -2.566 -5.054 1.026) 5.760 2.463 ( -7.701 0.740 -3.452) 8.472 2.699 ( -1.163 -1.049 1.159) 1.948 2.975 ( -2.624 -0.780 0.782) 2.847 3.035 ( 4.527 1.471 6.062) 7.708 3.312 ( -0.787 -1.200 -2.043) 2.497 3.326 ( -1.107 -2.643 1.576) 3.271 3.492 ( 3.161 -2.006 -0.541) 3.783 3.707 ( 5.632 -4.422 -3.766) 8.091 3.934 ( 1.576 4.156 -0.873) 4.529 4.152 ( 2.127 -0.374 0.086) 2.161 4.210 ( -4.407 -0.446 -6.730) 8.057 4.297 ( -3.200 0.947 5.316) 6.277 4.494 ( 3.518 -4.481 5.129) 7.666 4.594 ( -1.347 -6.891 5.900) 9.171 4.734 ( -1.760 5.294 0.722) 5.626 4.806 ( -1.190 -2.182 1.263) 2.788 4.883 ( -4.011 -6.169 6.838) 10.045 4.998 ( -5.049 0.392 3.621) 6.226 5.472 ( 2.097 -4.033 0.166) 4.549 5.559 ( -2.716 -5.345 -1.344) 6.145 5.659 ( -4.833 5.959 -15.923) 17.675 5.806 ( 1.489 3.066 2.664) 4.326 5.891 ( 1.792 -2.311 2.308) 3.725 6.061 ( -5.563 2.356 -6.035) 8.539 6.198 ( 7.335 0.876 10.141) 12.547 6.327 ( 0.714 1.691 -0.117) 1.839 6.500 ( 0.717 -3.477 -2.099) 4.125 6.908 ( -1.230 -3.701 5.141) 6.453 7.388 ( 2.390 -1.208 3.570) 4.463 7.422 ( -1.687 -0.181 -5.118) 5.392 7.563 ( 0.547 0.604 -1.868) 2.038 7.918 ( 1.371 1.062 0.976) 1.990 8.567 ( 15.648 13.579 -16.099) 26.238======================= Grid point 135 (57/196) =======================q-point: (-0.20 0.20 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 352Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.622 ( 0.497 11.407 15.425) 19.191 0.686 ( -6.497 8.487 21.077) 23.632 0.978 ( 7.377 -7.402 16.991) 19.948 1.133 ( 10.701 22.704 23.342) 34.276 1.568 ( 2.025 -0.102 9.486) 9.700 1.815 ( -1.056 -8.432 -1.115) 8.571 2.172 ( -1.915 -0.265 2.000) 2.782 2.241 ( -6.567 8.921 -6.041) 12.618 2.370 ( -2.590 -3.347 1.262) 4.416 2.445 ( 2.655 0.037 4.811) 5.495 2.710 ( 1.414 -3.752 -2.190) 4.569 2.949 ( -0.899 -0.256 -0.142) 0.945 3.115 ( 2.634 1.630 7.849) 8.438 3.218 ( -3.943 -0.770 0.992) 4.138 3.371 ( 0.548 -2.528 -3.496) 4.349 3.524 ( 0.709 0.764 -0.315) 1.089 3.834 ( 5.129 -2.850 -1.820) 6.143 3.947 ( -0.393 0.178 -0.914) 1.011 4.062 ( -6.691 2.382 -2.937) 7.686 4.152 ( 0.440 1.375 0.407) 1.500 4.294 ( -0.710 -0.203 4.787) 4.844 4.535 ( -2.128 -3.029 0.636) 3.756 4.596 ( -4.526 -7.084 5.058) 9.811 4.673 ( -5.386 -1.209 -0.279) 5.527 4.759 ( 0.905 -3.976 7.312) 8.372 4.911 ( 2.120 -1.472 4.919) 5.556 4.972 ( 3.568 4.709 7.165) 9.287 5.409 ( -5.470 0.066 -10.349) 11.706 5.496 ( -6.802 -4.351 -2.901) 8.580 5.646 ( 3.725 -1.553 -3.670) 5.455 5.780 ( -2.432 3.692 0.130) 4.423 5.897 ( -1.457 3.797 -2.593) 4.824 5.953 ( -3.740 -0.691 -2.095) 4.342 6.303 ( -0.529 0.284 0.778) 0.983 6.444 ( 14.597 -2.912 4.221) 15.471 6.573 ( 4.606 -3.263 1.027) 5.737 6.903 ( -2.190 -3.974 7.296) 8.592 7.350 ( -3.888 -4.386 -1.822) 6.138 7.498 ( 5.518 0.333 2.311) 5.991 7.568 ( 0.549 -0.655 0.520) 1.001 7.916 ( -1.130 1.085 -0.149) 1.573 8.647 ( 0.431 17.275 -24.377) 29.881======================= Grid point 136 (58/196) =======================q-point: (-0.10 0.20 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 350Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.626 ( 7.609 4.271 16.489) 18.655 0.737 ( 12.848 10.143 15.880) 22.806 1.206 ( 6.484 -8.883 15.202) 18.763 1.421 ( 26.076 14.983 25.280) 39.288 1.686 ( 9.252 -0.850 10.217) 13.810 1.846 ( 0.012 -3.907 -0.797) 3.988 2.060 ( -4.463 8.926 -4.166) 10.814 2.292 ( 8.832 -2.931 -3.297) 9.873 2.339 ( -1.459 -5.362 -3.958) 6.823 2.627 ( 15.396 -2.336 1.947) 15.693 2.767 ( 1.725 1.374 -3.697) 4.305 2.888 ( -2.073 2.155 1.563) 3.374 3.114 ( -0.650 0.434 11.542) 11.569 3.290 ( 2.528 -5.054 -3.110) 6.451 3.355 ( 0.512 -1.925 -0.614) 2.084 3.538 ( 1.283 -0.088 0.920) 1.581 3.848 ( -3.397 -1.909 -0.762) 3.970 3.930 ( -0.896 -0.092 0.621) 1.094 4.009 ( 0.831 1.840 -6.615) 6.916 4.187 ( 0.152 1.203 2.913) 3.155 4.265 ( 0.753 1.531 3.233) 3.655 4.463 ( -6.177 -0.747 -3.345) 7.064 4.504 ( -2.948 -0.152 0.009) 2.952 4.679 ( -1.197 -7.236 4.423) 8.565 4.810 ( 2.776 -0.120 0.047) 2.779 4.967 ( 2.216 0.418 5.852) 6.271 5.030 ( 3.953 6.073 7.799) 10.646 5.315 ( -8.582 -1.490 -4.217) 9.677 5.417 ( -0.827 -11.069 -5.759) 12.505 5.667 ( -2.849 2.080 -4.349) 5.600 5.762 ( 2.869 -1.058 0.238) 3.067 5.831 ( -1.383 6.200 -5.477) 8.387 5.897 ( -3.861 -2.342 -0.286) 4.525 6.264 ( -2.696 1.793 -1.454) 3.549 6.674 ( 4.268 -2.458 2.690) 5.612 6.723 ( 9.896 -3.246 -2.082) 10.621 6.892 ( -2.000 -6.303 6.998) 9.628 7.326 ( -2.127 -8.495 0.094) 8.758 7.552 ( 0.890 0.370 -0.044) 0.965 7.624 ( 3.743 -1.172 3.395) 5.188 7.866 ( -3.580 0.923 -1.348) 3.935 8.353 ( -13.356 23.696 -13.846) 30.522======================= Grid point 140 (59/196) =======================q-point: (-0.70 0.30 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 195Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.162 ( -1.590 -0.000 4.824) 5.080 1.367 ( 6.601 0.000 1.696) 6.815 1.481 ( -5.743 -0.000 -0.886) 5.811 1.778 ( -9.444 -0.000 3.536) 10.084 2.151 ( 8.093 0.000 8.511) 11.745 2.230 ( -12.765 -0.000 0.931) 12.799 2.421 ( -3.117 -0.000 -7.708) 8.314 2.516 ( 3.051 0.000 3.216) 4.433 2.613 ( -8.226 -0.000 -7.115) 10.876 2.745 ( -10.486 -0.000 6.283) 12.224 2.865 ( 2.904 0.000 -8.512) 8.994 3.046 ( -3.667 -0.000 3.690) 5.203 3.065 ( 0.138 0.000 9.510) 9.511 3.237 ( 5.774 0.000 2.893) 6.458 3.414 ( -6.039 -0.000 4.833) 7.735 3.709 ( -6.944 -0.000 -10.321) 12.439 3.731 ( -2.263 -0.000 2.769) 3.576 3.832 ( 1.269 0.000 2.725) 3.005 3.972 ( -6.735 -0.000 -3.871) 7.769 4.144 ( 6.187 0.000 -1.201) 6.303 4.178 ( 7.558 0.000 0.558) 7.579 4.443 ( 2.281 0.000 7.220) 7.572 4.533 ( -1.486 -0.000 8.191) 8.325 4.737 ( 2.964 0.000 3.522) 4.603 4.885 ( -5.992 -0.000 -7.921) 9.932 5.006 ( 4.499 0.000 6.882) 8.222 5.121 ( -0.421 -0.000 -4.521) 4.541 5.222 ( 5.236 0.000 -1.791) 5.534 5.391 ( -3.111 -0.000 4.787) 5.709 5.625 ( 5.277 0.000 0.905) 5.354 5.686 ( 0.543 0.000 6.175) 6.199 5.741 ( -1.301 -0.000 1.241) 1.798 6.103 ( 1.489 0.000 0.514) 1.575 6.170 ( 4.255 0.000 4.016) 5.851 6.584 ( -3.964 -0.000 0.816) 4.047 6.691 ( -4.047 -0.000 -3.584) 5.406 6.983 ( -6.651 -0.000 -5.135) 8.403 7.208 ( 5.980 0.000 -1.203) 6.100 7.489 ( 2.155 0.000 -3.725) 4.303 7.562 ( -2.177 -0.000 -5.644) 6.049 7.770 ( 2.836 0.000 1.819) 3.369 8.025 ( 5.056 0.000 -2.793) 5.776======================= Grid point 142 (60/196) =======================q-point: (-0.60 0.30 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 350Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.132 ( -2.789 5.007 9.250) 10.882 1.305 ( -9.356 2.326 3.555) 10.275 1.538 ( 6.955 -0.571 -1.504) 7.138 1.611 ( -7.749 -4.367 5.751) 10.592 1.930 ( -17.429 4.738 4.273) 18.561 2.145 ( -17.503 -2.688 -11.838) 21.300 2.345 ( 7.031 2.682 2.402) 7.899 2.469 ( -12.598 -2.336 3.811) 13.368 2.607 ( 4.248 1.356 -3.391) 5.602 2.642 ( 0.879 -2.720 4.039) 4.948 2.778 ( -8.319 -2.120 0.290) 8.590 2.971 ( -5.565 -1.147 3.910) 6.897 3.190 ( 7.969 2.326 2.020) 8.544 3.247 ( -1.270 4.784 4.072) 6.409 3.332 ( -4.831 -4.139 5.835) 8.633 3.580 ( -8.018 2.650 -1.552) 8.586 3.611 ( -7.308 -3.180 -4.847) 9.328 3.900 ( 5.587 0.802 1.596) 5.865 3.940 ( 3.140 0.083 -0.959) 3.285 4.232 ( 2.570 -1.518 -2.555) 3.928 4.304 ( 5.978 1.115 0.884) 6.145 4.461 ( -1.181 -1.842 7.322) 7.642 4.505 ( -2.101 1.157 8.143) 8.489 4.789 ( -0.909 0.799 -2.307) 2.605 4.805 ( 0.823 -2.548 0.381) 2.705 5.025 ( -2.105 5.150 0.111) 5.564 5.113 ( -0.521 -2.558 -2.393) 3.541 5.315 ( 1.226 -1.371 -3.036) 3.549 5.368 ( 3.366 -1.179 10.642) 11.223 5.714 ( 2.369 -0.713 6.310) 6.778 5.735 ( 1.843 0.563 0.433) 1.975 5.745 ( 5.462 -0.670 -1.639) 5.742 6.112 ( 0.030 1.250 0.609) 1.391 6.240 ( 2.338 0.294 3.620) 4.319 6.470 ( -7.779 0.872 -2.689) 8.277 6.603 ( -5.232 -0.553 -5.339) 7.496 6.894 ( -2.801 -1.067 -0.966) 3.149 7.289 ( 2.496 -0.368 1.514) 2.943 7.522 ( 1.013 1.152 -5.112) 5.337 7.531 ( 0.068 -0.376 -6.242) 6.254 7.830 ( 3.397 0.249 2.173) 4.040 8.168 ( 11.599 1.271 -5.466) 12.885======================= Grid point 143 (61/196) =======================q-point: (-0.50 0.30 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 350Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.999 ( -11.012 1.857 12.857) 17.029 1.098 ( -8.391 10.291 7.540) 15.270 1.532 ( -13.812 13.659 1.134) 19.458 1.546 ( -8.102 -5.463 3.853) 10.504 1.648 ( -2.111 -4.734 1.553) 5.411 1.851 ( -12.291 -1.117 -0.330) 12.346 2.229 ( -8.742 -2.430 1.008) 9.130 2.455 ( 1.985 2.841 -0.418) 3.491 2.571 ( -7.427 -2.898 6.393) 10.219 2.631 ( -6.650 -0.593 -7.702) 10.193 2.716 ( -1.857 -2.306 3.168) 4.336 2.930 ( 3.756 -0.781 5.675) 6.850 3.101 ( -8.809 3.182 3.732) 10.083 3.285 ( -0.329 0.520 4.768) 4.808 3.364 ( 6.389 -1.437 -1.451) 6.707 3.401 ( -8.281 -0.919 6.071) 10.309 3.577 ( 1.421 -2.941 -7.375) 8.066 3.983 ( 3.563 4.029 0.620) 5.414 4.038 ( 6.574 -0.293 -0.478) 6.598 4.236 ( -2.432 -3.217 -4.758) 6.237 4.379 ( 3.035 3.160 3.517) 5.618 4.442 ( -3.764 0.823 7.314) 8.267 4.485 ( 0.138 -5.705 6.273) 8.480 4.777 ( 1.158 0.243 -3.358) 3.561 4.835 ( -0.952 -2.231 3.256) 4.060 4.916 ( -6.253 3.318 2.143) 7.396 5.083 ( -3.444 -0.736 -0.691) 3.589 5.349 ( 2.662 -3.271 0.799) 4.293 5.474 ( 3.968 -2.341 4.681) 6.568 5.770 ( 3.054 0.216 2.657) 4.054 5.778 ( 3.057 0.436 -1.305) 3.352 5.834 ( 2.472 0.641 -4.840) 5.472 6.102 ( -0.222 0.662 0.477) 0.846 6.224 ( -4.239 0.896 2.241) 4.878 6.353 ( -2.206 0.955 -0.030) 2.404 6.505 ( -4.709 -1.274 -5.851) 7.618 6.877 ( -0.578 -1.731 2.357) 2.981 7.327 ( 2.036 -0.175 3.509) 4.060 7.484 ( -2.685 0.522 -6.652) 7.193 7.557 ( 1.656 0.395 -4.049) 4.392 7.889 ( 2.947 0.555 1.935) 3.569 8.413 ( 16.613 4.380 -9.797) 19.777======================= Grid point 144 (62/196) =======================q-point: (-0.40 0.30 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 350Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.757 ( -14.227 -3.030 16.368) 21.897 0.938 ( -4.409 13.064 12.069) 18.324 1.178 ( -14.398 12.460 9.872) 21.448 1.371 ( -9.259 1.631 4.200) 10.297 1.615 ( -3.434 1.789 6.477) 7.546 1.738 ( -0.643 3.083 2.929) 4.301 2.225 ( 3.622 -5.721 0.896) 6.830 2.374 ( -12.247 -2.725 0.585) 12.560 2.423 ( -7.005 -1.340 2.052) 7.421 2.491 ( -4.056 3.680 -4.223) 6.916 2.686 ( -2.489 -1.116 4.592) 5.341 2.944 ( -5.759 -3.734 2.061) 7.166 3.071 ( 7.494 4.114 4.018) 9.446 3.289 ( -5.625 -2.649 4.982) 7.968 3.310 ( 1.742 -0.725 0.211) 1.898 3.464 ( 3.353 -2.813 -0.706) 4.433 3.668 ( 6.584 -2.903 -4.155) 8.309 3.984 ( 0.127 4.866 -1.076) 4.985 4.155 ( 4.901 0.842 0.222) 4.978 4.196 ( -2.974 -2.336 -4.710) 6.040 4.308 ( -6.973 0.819 5.116) 8.687 4.453 ( 1.838 -2.821 6.533) 7.349 4.525 ( -0.419 -5.808 4.041) 7.088 4.778 ( -5.287 0.358 3.764) 6.500 4.781 ( -4.092 0.341 1.975) 4.557 4.836 ( 0.794 -2.706 1.772) 3.331 5.023 ( -1.518 3.409 2.653) 4.578 5.424 ( 2.245 -4.827 -1.975) 5.678 5.519 ( -1.015 -2.319 0.813) 2.659 5.719 ( -5.969 5.075 -17.772) 19.423 5.827 ( 2.139 0.851 3.558) 4.238 5.871 ( 2.256 -1.263 3.321) 4.209 6.072 ( -4.655 -0.155 -5.434) 7.157 6.205 ( 4.261 0.495 9.830) 10.725 6.345 ( 1.281 1.554 -0.606) 2.103 6.467 ( 0.499 -2.715 -2.384) 3.648 6.881 ( -0.520 -1.633 4.572) 4.883 7.379 ( 1.118 -0.493 3.821) 4.012 7.421 ( -1.220 -0.018 -4.388) 4.555 7.573 ( 0.933 1.032 -3.619) 3.877 7.929 ( 1.426 0.868 1.192) 2.051 8.669 ( 14.404 6.462 -15.513) 22.134======================= Grid point 145 (63/196) =======================q-point: (-0.30 0.30 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 350Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.667 ( -0.423 -0.702 22.175) 22.190 0.824 ( -0.462 15.503 13.480) 20.549 0.934 ( -3.498 -0.859 17.879) 18.238 1.347 ( 9.097 11.144 9.711) 17.356 1.582 ( 2.658 6.619 11.285) 13.350 1.758 ( 2.735 -0.854 2.831) 4.028 2.172 ( -2.291 0.438 1.064) 2.564 2.323 ( -4.667 1.264 -2.733) 5.555 2.345 ( -6.083 3.251 -2.991) 7.518 2.434 ( 7.080 -3.471 3.038) 8.450 2.663 ( -0.590 -4.360 1.015) 4.515 2.935 ( 1.263 -2.443 1.815) 3.295 3.126 ( -0.799 0.733 10.202) 10.259 3.212 ( -2.688 0.011 0.949) 2.851 3.343 ( -0.087 -2.967 -3.348) 4.474 3.516 ( 0.961 -1.933 -0.389) 2.193 3.809 ( 6.562 -1.922 -3.116) 7.514 3.957 ( -1.340 1.604 -1.542) 2.597 4.078 ( -8.686 0.632 -0.929) 8.758 4.170 ( 1.448 1.894 -0.119) 2.387 4.291 ( 1.593 -0.260 3.683) 4.021 4.494 ( -1.099 -4.500 4.903) 6.746 4.530 ( -2.138 -4.768 4.057) 6.616 4.659 ( -6.864 -1.467 -0.001) 7.019 4.741 ( 0.845 -0.152 6.190) 6.249 4.895 ( 3.039 -1.462 3.321) 4.733 5.023 ( 3.750 4.681 5.044) 7.837 5.416 ( -4.489 0.734 -8.844) 9.945 5.459 ( -6.857 -2.421 -3.674) 8.147 5.629 ( 0.715 -1.752 -6.471) 6.742 5.816 ( -2.795 2.954 0.492) 4.096 5.899 ( -0.297 -1.558 1.317) 2.061 5.969 ( -4.156 2.265 -6.593) 8.116 6.298 ( 1.412 -1.037 2.950) 3.431 6.422 ( 9.714 -1.186 3.407) 10.362 6.540 ( 4.950 -2.961 1.420) 5.940 6.877 ( -1.377 -1.277 6.486) 6.753 7.319 ( -4.428 -1.755 -2.219) 5.255 7.499 ( 5.870 0.031 3.365) 6.766 7.575 ( 0.426 1.262 -2.777) 3.080 7.928 ( -1.120 1.093 0.109) 1.569 8.772 ( 0.527 7.562 -20.650) 21.997======================= Grid point 146 (64/196) =======================q-point: (-0.20 0.30 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 350Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.681 ( 6.907 6.004 15.366) 17.885 0.865 ( 10.711 13.810 13.824) 22.283 1.105 ( 9.400 -9.691 14.570) 19.863 1.549 ( 13.984 2.356 13.296) 19.439 1.702 ( 14.352 8.990 12.765) 21.207 1.834 ( 4.536 2.641 6.674) 8.491 2.161 ( -5.184 10.058 -4.300) 12.105 2.246 ( 0.412 -4.953 -6.736) 8.372 2.299 ( 6.192 -2.367 -2.383) 7.044 2.611 ( 11.420 -1.229 3.634) 12.047 2.759 ( 7.239 -3.810 -1.005) 8.242 2.914 ( -3.636 2.702 1.890) 4.908 3.112 ( -0.587 -0.325 11.817) 11.836 3.235 ( -0.450 -5.148 -2.747) 5.853 3.322 ( -0.071 -4.218 0.860) 4.306 3.529 ( -0.490 -1.384 0.858) 1.700 3.830 ( -4.258 -1.184 -1.411) 4.640 3.934 ( -0.065 0.825 -0.387) 0.914 4.017 ( 1.898 -0.535 -7.610) 7.861 4.208 ( 0.804 2.816 3.874) 4.856 4.282 ( -0.211 1.516 2.667) 3.075 4.450 ( -4.447 -1.602 -0.115) 4.728 4.502 ( -2.534 -0.496 0.571) 2.645 4.609 ( -1.533 -5.585 3.613) 6.827 4.806 ( 4.696 -0.399 0.978) 4.814 4.964 ( 3.198 -0.860 6.074) 6.918 5.098 ( 5.180 5.908 6.642) 10.288 5.297 ( -9.860 -2.208 -3.952) 10.850 5.333 ( -2.764 -3.638 -9.285) 10.348 5.676 ( 0.198 -1.949 -3.470) 3.985 5.740 ( -1.913 -0.771 -0.259) 2.079 5.862 ( -5.201 -2.149 -2.430) 6.130 5.903 ( -0.073 4.774 -3.778) 6.089 6.283 ( -2.162 1.557 -1.685) 3.152 6.647 ( 4.996 -2.562 3.127) 6.427 6.664 ( 11.000 -6.789 1.154) 12.977 6.855 ( -2.412 -0.950 8.310) 8.705 7.267 ( -2.218 -3.337 -1.195) 4.181 7.563 ( 0.470 1.457 -1.965) 2.491 7.616 ( 4.853 -0.550 2.938) 5.700 7.877 ( -3.654 1.129 -1.110) 3.982 8.552 ( -14.046 14.118 -15.702) 25.360======================= Grid point 147 (65/196) =======================q-point: (-0.10 0.30 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 350Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.881 ( 12.952 2.175 5.074) 14.080 1.061 ( 15.157 8.768 14.397) 22.669 1.334 ( 11.570 -5.716 7.993) 15.180 1.765 ( 4.293 -6.193 5.576) 9.374 1.820 ( -3.390 2.575 4.460) 6.166 2.038 ( 8.961 11.071 7.018) 15.878 2.064 ( 15.316 8.371 9.991) 20.112 2.258 ( 1.856 -4.972 -9.447) 10.836 2.489 ( 8.593 -1.532 -7.649) 11.606 2.776 ( 0.819 1.915 3.205) 3.822 2.886 ( 5.928 -3.135 2.151) 7.043 2.938 ( 4.554 1.149 4.652) 6.611 3.078 ( 3.061 -0.777 5.284) 6.156 3.263 ( 2.625 -7.889 2.134) 8.584 3.406 ( 1.511 -0.288 1.847) 2.403 3.503 ( -3.303 -5.002 2.327) 6.430 3.781 ( -1.337 -3.078 -3.020) 4.515 3.915 ( -1.247 1.390 -3.661) 4.110 4.046 ( 2.554 3.108 -2.385) 4.676 4.112 ( -7.199 2.043 1.043) 7.556 4.328 ( -0.575 0.117 -1.286) 1.414 4.400 ( 2.538 1.158 -0.978) 2.956 4.472 ( -1.197 -0.586 0.047) 1.334 4.608 ( -2.677 -5.976 4.111) 7.731 4.872 ( 1.781 2.699 -5.525) 6.402 5.003 ( 0.022 3.029 2.702) 4.059 5.120 ( -0.926 -0.520 5.817) 5.913 5.167 ( -0.932 3.816 7.653) 8.602 5.381 ( 2.482 -10.352 -6.704) 12.581 5.594 ( -5.550 1.932 -5.560) 8.090 5.773 ( -4.239 -2.105 -2.819) 5.509 5.790 ( 1.417 -6.458 0.995) 6.686 5.881 ( 0.953 5.448 -3.435) 6.511 6.214 ( -3.632 2.292 -2.953) 5.212 6.725 ( 2.269 -1.567 3.403) 4.380 6.809 ( -1.587 2.104 6.932) 7.416 6.868 ( 4.869 -7.095 -0.810) 8.643 7.272 ( 0.071 -5.276 -1.906) 5.611 7.552 ( -0.992 0.885 -1.995) 2.398 7.687 ( 1.940 0.709 2.189) 3.010 7.795 ( -3.841 0.565 -1.912) 4.328 8.209 ( -11.403 13.971 -6.897) 19.307======================= Grid point 152 (66/196) =======================q-point: (-0.60 0.40 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.006 ( -13.423 -0.000 13.368) 18.943 1.162 ( -7.338 -0.000 7.084) 10.200 1.502 ( -6.780 -0.000 6.558) 9.432 1.620 ( -11.514 -0.000 5.754) 12.872 1.627 ( -5.489 -0.000 3.776) 6.663 1.837 ( -7.555 -0.000 -13.567) 15.529 2.211 ( -11.774 -0.000 2.635) 12.065 2.480 ( 4.333 0.000 -0.473) 4.358 2.550 ( -9.184 -0.000 7.773) 12.031 2.628 ( -6.767 -0.000 -8.029) 10.500 2.702 ( -0.816 -0.000 3.780) 3.867 2.924 ( 4.027 0.000 5.635) 6.926 3.122 ( -10.813 -0.000 3.254) 11.292 3.285 ( 0.498 0.000 6.609) 6.628 3.356 ( 6.639 0.000 -2.528) 7.104 3.396 ( -9.326 -0.000 7.664) 12.071 3.561 ( 1.552 0.000 -7.914) 8.065 4.006 ( 4.313 0.000 0.745) 4.376 4.037 ( 6.687 0.000 -0.175) 6.689 4.216 ( -2.837 -0.000 -4.610) 5.413 4.405 ( 4.564 0.000 0.621) 4.606 4.438 ( -0.739 -0.000 9.182) 9.212 4.455 ( -5.295 -0.000 7.157) 8.902 4.779 ( 1.089 0.000 -3.998) 4.144 4.818 ( -0.816 -0.000 5.565) 5.625 4.939 ( -8.183 -0.000 0.208) 8.186 5.079 ( -1.346 -0.000 -1.224) 1.820 5.328 ( 2.070 0.000 -0.977) 2.289 5.463 ( 4.264 0.000 6.052) 7.403 5.774 ( 2.856 0.000 2.389) 3.724 5.774 ( 3.836 0.000 2.915) 4.818 5.841 ( 2.931 0.000 -8.323) 8.823 6.104 ( -1.148 -0.000 -0.097) 1.152 6.229 ( -4.214 -0.000 2.827) 5.074 6.359 ( -2.105 -0.000 0.319) 2.129 6.498 ( -4.909 -0.000 -6.282) 7.973 6.868 ( -0.337 -0.000 2.291) 2.316 7.326 ( 2.102 0.000 3.713) 4.267 7.487 ( -2.982 -0.000 -6.511) 7.161 7.559 ( 1.819 0.000 -4.323) 4.690 7.892 ( 2.970 0.000 1.983) 3.571 8.435 ( 16.877 0.000 -10.002) 19.618======================= Grid point 154 (67/196) =======================q-point: (-0.50 0.40 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 350Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.732 ( -15.435 -1.265 16.976) 22.979 1.056 ( -3.093 7.606 11.567) 14.185 1.255 ( -20.449 3.199 18.514) 27.770 1.341 ( -8.165 -4.470 0.497) 9.322 1.628 ( 0.302 0.543 -4.177) 4.223 1.845 ( 5.689 12.483 3.574) 14.176 2.121 ( 0.896 -10.947 2.040) 11.172 2.370 ( -14.274 0.749 -1.026) 14.331 2.408 ( -7.394 -1.158 3.183) 8.133 2.521 ( -1.647 1.684 -3.707) 4.392 2.679 ( -2.498 -0.360 7.294) 7.718 2.913 ( -6.152 -1.677 2.490) 6.845 3.106 ( 7.747 2.007 2.995) 8.545 3.268 ( -5.469 -1.100 6.636) 8.670 3.303 ( -0.004 -0.497 1.307) 1.399 3.441 ( 3.235 -1.255 -0.966) 3.602 3.647 ( 7.219 -0.986 -4.503) 8.565 4.028 ( -0.897 2.781 -1.869) 3.469 4.164 ( 4.358 0.238 -0.802) 4.438 4.169 ( 0.604 -1.547 -1.769) 2.426 4.312 ( -10.178 0.029 5.176) 11.418 4.439 ( 0.185 -0.225 8.000) 8.006 4.478 ( 1.619 -2.683 1.630) 3.532 4.758 ( -6.621 -1.200 4.982) 8.373 4.803 ( -4.757 1.192 2.798) 5.646 4.819 ( 2.629 -0.785 -0.670) 2.824 5.055 ( -0.422 1.954 1.572) 2.543 5.383 ( 2.866 -2.355 -2.763) 4.626 5.505 ( -0.654 -0.578 1.548) 1.777 5.759 ( -6.619 2.134 -19.154) 20.378 5.828 ( 2.195 -0.202 3.264) 3.938 5.865 ( 2.787 -0.099 4.402) 5.211 6.066 ( -3.603 -0.579 -3.812) 5.277 6.209 ( 2.569 0.247 9.352) 9.701 6.357 ( 1.347 0.682 -0.588) 1.620 6.446 ( 0.337 -1.097 -2.887) 3.107 6.871 ( -0.093 -0.447 4.120) 4.145 7.376 ( 0.568 -0.126 3.799) 3.843 7.421 ( -0.980 0.005 -4.031) 4.148 7.581 ( 1.149 0.436 -4.248) 4.422 7.936 ( 1.457 0.334 1.321) 1.995 8.712 ( 13.465 1.878 -14.839) 20.125======================= Grid point 155 (68/196) =======================q-point: (-0.40 0.40 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 352Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.645 ( 4.157 -2.329 23.012) 23.501 0.939 ( -11.162 1.848 19.166) 22.256 0.989 ( 1.655 14.266 11.801) 18.588 1.328 ( 1.933 -9.163 5.114) 10.671 1.663 ( 5.203 2.847 -0.180) 5.934 1.866 ( 7.773 21.517 12.109) 25.885 2.179 ( -2.885 0.740 0.733) 3.067 2.299 ( -4.220 -2.833 -0.825) 5.149 2.324 ( 7.202 -13.298 3.889) 15.615 2.424 ( -4.138 4.273 -8.291) 10.204 2.634 ( -3.038 -1.187 6.511) 7.282 2.907 ( 2.794 -2.431 4.012) 5.460 3.129 ( -3.596 -0.226 10.399) 11.006 3.227 ( -1.296 2.912 -0.087) 3.189 3.308 ( -0.689 -3.697 -2.554) 4.546 3.494 ( 1.531 -1.745 -0.562) 2.388 3.793 ( 7.652 -1.029 -4.180) 8.780 3.978 ( -2.075 2.137 -3.663) 4.722 4.076 ( -10.791 -0.907 1.695) 10.961 4.187 ( 2.100 1.106 0.513) 2.428 4.289 ( 3.807 -0.131 2.402) 4.503 4.456 ( -0.016 -2.184 7.265) 7.586 4.491 ( -1.876 -2.779 2.477) 4.169 4.646 ( -6.134 -0.960 0.353) 6.219 4.744 ( -0.539 0.480 5.891) 5.935 4.881 ( 3.254 -0.993 2.088) 3.992 5.065 ( 3.086 3.096 2.739) 5.159 5.413 ( -2.682 -1.069 -5.128) 5.884 5.451 ( -4.272 0.555 -3.238) 5.389 5.612 ( -4.553 -1.287 -10.511) 11.527 5.838 ( -2.055 1.114 1.773) 2.934 5.887 ( -0.918 -0.457 -0.251) 1.055 5.986 ( -3.163 0.931 -6.561) 7.343 6.286 ( 2.710 -1.033 4.982) 5.765 6.417 ( 6.459 -0.153 2.188) 6.822 6.514 ( 5.319 -1.786 1.499) 5.807 6.870 ( -0.735 -0.272 5.532) 5.588 7.307 ( -4.556 -0.641 -2.540) 5.255 7.499 ( 5.848 0.005 3.585) 6.859 7.588 ( 0.403 0.955 -3.857) 3.994 7.938 ( -1.116 0.679 0.309) 1.342 8.824 ( 0.583 2.829 -17.837) 18.069======================= Grid point 156 (69/196) =======================q-point: (-0.30 0.40 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 350Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.749 ( 7.020 6.716 14.769) 17.678 1.002 ( 7.487 -3.846 12.326) 14.926 1.024 ( 11.544 10.092 13.629) 20.515 1.484 ( 7.829 -10.593 8.409) 15.628 1.786 ( 8.525 2.933 3.563) 9.694 1.961 ( 13.269 20.593 17.247) 29.960 2.202 ( -2.626 -2.835 -7.755) 8.664 2.264 ( -4.628 6.423 -5.341) 9.550 2.285 ( 9.317 1.690 -0.843) 9.506 2.593 ( 7.975 -2.548 4.235) 9.383 2.675 ( 8.452 -11.887 2.352) 14.774 2.944 ( -1.362 2.746 5.204) 6.040 3.112 ( 1.080 0.115 8.173) 8.245 3.190 ( -3.470 -2.676 -0.846) 4.463 3.272 ( -2.162 -4.980 1.164) 5.553 3.514 ( -0.273 -1.269 0.001) 1.298 3.825 ( -5.622 0.199 -1.753) 5.892 3.944 ( 1.196 1.015 -1.414) 2.112 4.001 ( 2.102 -2.217 -7.889) 8.460 4.241 ( 1.809 3.215 4.001) 5.442 4.295 ( -1.294 0.772 3.189) 3.527 4.433 ( -3.401 -1.493 1.425) 3.978 4.488 ( -0.872 -2.134 4.814) 5.338 4.569 ( -2.441 -2.081 -0.230) 3.216 4.804 ( 5.979 -0.002 2.199) 6.370 4.950 ( 3.184 -1.557 4.853) 6.009 5.139 ( 5.801 1.799 2.499) 6.567 5.270 ( -10.803 -2.095 -5.189) 12.166 5.350 ( -3.798 5.676 -6.745) 9.599 5.620 ( 1.224 -7.583 -1.282) 7.788 5.755 ( -4.876 2.470 -2.349) 5.949 5.836 ( -5.234 -2.387 -2.188) 6.155 5.946 ( 0.305 3.227 -4.637) 5.657 6.295 ( -1.495 0.786 -1.626) 2.344 6.598 ( 10.100 -4.832 4.594) 12.102 6.626 ( 5.027 -1.776 2.747) 5.997 6.855 ( -1.444 0.492 6.669) 6.842 7.244 ( -2.358 -1.280 -2.267) 3.512 7.579 ( 0.199 1.321 -2.879) 3.174 7.611 ( 5.040 -0.376 2.859) 5.807 7.888 ( -3.722 0.904 -0.908) 3.936 8.660 ( -12.791 6.906 -14.959) 20.859======================= Grid point 157 (70/196) =======================q-point: (-0.20 0.40 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 352Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.910 ( 10.021 3.246 5.985) 12.115 1.163 ( 13.490 9.456 11.742) 20.230 1.276 ( 13.744 -4.341 6.933) 15.994 1.690 ( 6.456 -8.091 7.696) 12.898 1.839 ( -3.414 0.872 5.965) 6.928 2.124 ( -1.394 6.769 -5.016) 8.539 2.176 ( 9.946 5.248 0.985) 11.289 2.249 ( 12.478 8.614 8.252) 17.263 2.473 ( 9.377 -1.047 -7.349) 11.960 2.744 ( 3.010 -6.625 3.065) 7.896 2.907 ( -1.184 4.942 2.743) 5.776 2.934 ( 10.604 -2.391 3.286) 11.356 3.055 ( 0.150 -2.761 8.424) 8.866 3.192 ( 2.120 -5.006 1.653) 5.683 3.372 ( 5.881 -6.083 2.204) 8.743 3.475 ( -5.262 -0.266 1.957) 5.621 3.751 ( -1.542 -2.532 -3.041) 4.247 3.932 ( -1.482 1.495 -4.940) 5.370 4.059 ( 2.956 0.143 -3.488) 4.574 4.140 ( -6.576 2.767 2.431) 7.537 4.334 ( -1.235 0.982 -0.064) 1.579 4.401 ( 2.903 -0.703 2.644) 3.989 4.471 ( -1.687 0.087 0.738) 1.843 4.556 ( -1.763 -3.653 3.131) 5.124 4.900 ( 2.992 2.661 -5.531) 6.829 5.023 ( 2.573 0.859 4.242) 5.035 5.095 ( -5.753 -3.600 0.835) 6.838 5.237 ( 3.341 7.619 8.830) 12.132 5.290 ( 1.061 -5.585 -7.984) 9.801 5.614 ( -5.809 1.503 -5.226) 7.957 5.711 ( 0.438 -8.058 1.254) 8.167 5.741 ( -5.469 -3.327 -2.318) 6.809 5.939 ( 1.438 4.991 -3.969) 6.537 6.236 ( -3.610 1.720 -3.486) 5.305 6.710 ( 2.958 -1.246 2.948) 4.358 6.791 ( 4.082 -5.988 5.196) 8.917 6.835 ( 1.662 1.664 3.486) 4.205 7.232 ( -0.101 -2.679 -2.727) 3.824 7.563 ( -0.950 1.082 -2.801) 3.149 7.690 ( 2.642 0.063 2.055) 3.348 7.802 ( -4.414 0.728 -1.900) 4.860 8.336 ( -14.166 9.812 -8.183) 19.076======================= Grid point 158 (71/196) =======================q-point: (-0.10 0.40 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 350Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.049 ( 5.321 -1.605 4.141) 6.930 1.386 ( 13.003 6.933 12.555) 19.359 1.595 ( 15.123 -1.670 -1.761) 15.316 1.695 ( -4.305 0.760 3.203) 5.419 1.785 ( -1.701 0.814 1.712) 2.547 2.082 ( 0.008 -0.626 1.483) 1.610 2.299 ( 5.489 -2.327 -8.572) 10.441 2.499 ( 10.320 5.195 11.931) 16.608 2.606 ( 5.327 -0.749 -6.942) 8.782 2.760 ( -2.208 2.563 3.631) 4.962 2.823 ( 3.542 -1.717 4.204) 5.760 3.135 ( 7.940 -0.289 4.583) 9.172 3.194 ( 0.530 -6.260 6.732) 9.208 3.295 ( 3.983 -2.103 0.372) 4.520 3.338 ( -2.606 1.126 4.099) 4.985 3.503 ( 4.329 -4.100 1.231) 6.088 3.783 ( 3.280 -1.259 -3.108) 4.690 3.887 ( -1.330 0.637 -2.674) 3.053 3.990 ( -5.877 3.498 -0.955) 6.906 4.138 ( 4.311 1.882 -1.042) 4.818 4.250 ( -5.000 1.042 -2.296) 5.600 4.413 ( -4.879 -2.244 1.008) 5.465 4.519 ( 6.953 0.165 4.307) 8.181 4.548 ( -0.961 -3.447 1.014) 3.719 4.836 ( -4.709 2.451 -3.295) 6.248 5.050 ( 3.471 3.638 -2.457) 5.596 5.105 ( 0.153 0.883 6.209) 6.273 5.241 ( 1.315 3.489 8.285) 9.086 5.362 ( 0.303 -6.935 -5.989) 9.168 5.505 ( -3.099 1.429 -1.140) 3.598 5.680 ( -2.153 -6.997 -3.263) 8.015 5.774 ( 0.534 -6.624 1.908) 6.914 5.930 ( 0.954 5.829 -2.864) 6.564 6.158 ( -3.019 1.554 -3.515) 4.888 6.747 ( -0.309 0.598 5.925) 5.963 6.784 ( -1.104 0.101 5.200) 5.317 6.933 ( 4.026 -1.224 -3.172) 5.270 7.253 ( 0.450 -4.110 -3.799) 5.615 7.518 ( -3.140 1.373 -3.647) 5.004 7.691 ( -1.739 1.151 0.013) 2.086 7.749 ( -1.353 -0.335 -0.515) 1.486 8.083 ( -7.393 6.562 -3.555) 10.505======================= Grid point 164 (72/196) =======================q-point: ( 0.50 -0.50 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 195Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.632 ( 5.438 0.000 23.295) 23.922 0.949 ( -12.788 0.000 18.982) 22.888 1.094 ( 3.005 0.000 14.472) 14.781 1.248 ( -0.346 -0.000 2.197) 2.224 1.673 ( 5.135 0.000 -0.907) 5.215 2.080 ( 10.303 0.000 8.265) 13.209 2.155 ( 8.457 -0.000 7.450) 11.271 2.185 ( -2.658 0.000 0.780) 2.770 2.288 ( -6.206 0.000 -1.988) 6.517 2.450 ( -4.643 0.000 -8.781) 9.933 2.629 ( -3.685 0.000 8.710) 9.458 2.893 ( 3.440 -0.000 4.485) 5.652 3.126 ( -4.257 0.000 10.048) 10.912 3.263 ( -3.376 -0.000 -0.824) 3.475 3.269 ( 1.414 0.000 -1.739) 2.241 3.484 ( 1.791 0.000 -0.572) 1.880 3.788 ( 8.080 0.000 -4.589) 9.292 3.992 ( -1.980 0.000 -5.888) 6.212 4.068 ( -11.873 0.000 4.128) 12.570 4.193 ( 2.035 0.000 0.869) 2.212 4.288 ( 4.957 0.000 1.676) 5.233 4.446 ( 0.318 -0.000 8.343) 8.349 4.475 ( -2.061 0.000 1.693) 2.667 4.641 ( -5.779 0.000 0.378) 5.792 4.747 ( -1.027 0.000 5.994) 6.081 4.876 ( 3.281 -0.000 1.576) 3.640 5.083 ( 2.613 0.000 1.662) 3.097 5.406 ( -2.416 0.000 -4.309) 4.940 5.456 ( -1.617 0.000 -1.266) 2.053 5.605 ( -7.636 0.000 -12.915) 15.004 5.842 ( -1.360 0.000 2.677) 3.003 5.886 ( -1.437 0.000 -1.446) 2.039 5.990 ( -2.746 0.000 -6.391) 6.956 6.280 ( 2.972 0.000 5.674) 6.406 6.416 ( 5.480 0.000 1.796) 5.767 6.504 ( 5.492 0.000 1.472) 5.686 6.869 ( -0.515 0.000 5.200) 5.225 7.304 ( -4.584 0.000 -2.632) 5.286 7.499 ( 5.816 0.000 3.626) 6.854 7.593 ( 0.401 0.000 -4.136) 4.156 7.942 ( -1.116 0.000 0.382) 1.179 8.838 ( 0.602 0.000 -16.898) 16.908======================= Grid point 166 (73/196) =======================q-point: (-0.40 0.50 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 350Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.818 ( 8.579 5.716 15.812) 18.876 0.924 ( 7.837 -6.334 11.338) 15.169 1.172 ( 8.538 12.536 12.840) 19.873 1.361 ( 7.911 -11.222 7.301) 15.551 1.800 ( 7.344 0.500 3.951) 8.354 2.158 ( -0.727 7.178 -1.505) 7.370 2.203 ( 5.122 8.520 5.365) 11.296 2.268 ( 8.646 -0.059 -4.966) 9.971 2.357 ( 4.380 6.630 2.796) 8.424 2.505 ( 13.040 -14.882 3.531) 20.100 2.581 ( -1.030 -2.547 5.360) 6.023 2.966 ( 1.494 1.188 8.251) 8.469 3.109 ( 3.292 -0.548 1.985) 3.883 3.188 ( -5.786 2.062 1.951) 6.444 3.223 ( -4.273 -4.194 1.387) 6.145 3.504 ( 0.208 -0.537 -0.462) 0.738 3.830 ( -6.980 0.440 -1.604) 7.176 3.955 ( 3.524 0.924 -2.475) 4.404 3.978 ( 1.138 -1.722 -8.013) 8.275 4.269 ( 4.442 1.604 4.037) 6.213 4.299 ( -4.058 0.033 3.810) 5.567 4.422 ( -3.081 -0.594 1.645) 3.542 4.467 ( 0.306 -1.338 7.757) 7.877 4.558 ( -2.768 -0.297 -2.414) 3.685 4.805 ( 6.746 0.117 3.236) 7.483 4.936 ( 2.653 -0.849 3.306) 4.323 5.147 ( 4.321 0.215 -1.264) 4.507 5.256 ( -10.746 -0.696 -5.591) 12.133 5.432 ( -2.102 9.089 -3.109) 9.834 5.530 ( -0.410 -9.204 -1.574) 9.347 5.780 ( -4.772 1.841 -0.987) 5.209 5.814 ( -5.865 -1.662 -4.158) 7.379 5.969 ( 0.770 1.112 -4.785) 4.972 6.300 ( -0.980 0.179 -1.379) 1.701 6.564 ( 9.081 -1.622 5.502) 10.741 6.613 ( 5.315 -0.638 2.735) 6.011 6.860 ( -0.950 0.273 5.946) 6.027 7.236 ( -2.432 -0.346 -2.675) 3.632 7.589 ( -0.113 0.562 -3.585) 3.630 7.608 ( 5.222 -0.184 3.140) 6.096 7.895 ( -3.765 0.344 -0.798) 3.864 8.706 ( -11.863 2.040 -14.189) 18.607======================= Grid point 167 (74/196) =======================q-point: (-0.30 0.50 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 350Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.945 ( 6.397 3.151 7.813) 10.578 1.187 ( 16.412 -3.531 2.125) 16.922 1.316 ( 12.074 10.473 12.811) 20.484 1.595 ( 9.003 -9.674 9.617) 16.344 1.841 ( -4.549 -0.237 5.190) 6.906 2.165 ( 4.579 0.588 -8.156) 9.372 2.208 ( -1.476 4.367 -5.368) 7.076 2.395 ( 10.728 13.808 13.687) 22.206 2.474 ( 9.310 1.440 -7.110) 11.803 2.673 ( 5.122 -5.455 4.832) 8.907 2.847 ( 12.041 -11.147 8.420) 18.442 2.978 ( 1.668 5.418 1.965) 6.000 3.038 ( -3.765 -0.494 7.141) 8.088 3.164 ( 1.838 -0.144 1.586) 2.432 3.300 ( 7.036 -6.915 1.601) 9.995 3.479 ( -3.883 0.474 1.695) 4.263 3.731 ( -1.939 -1.159 -2.713) 3.530 3.942 ( -2.230 0.518 -6.431) 6.827 4.060 ( 4.549 0.112 -3.835) 5.951 4.162 ( -6.983 1.328 2.476) 7.527 4.347 ( -2.528 1.183 1.034) 2.977 4.390 ( 3.529 -1.148 5.026) 6.248 4.469 ( -1.488 -0.534 4.924) 5.172 4.533 ( -0.764 -0.916 -0.418) 1.264 4.930 ( 3.915 3.243 -4.236) 6.617 5.013 ( 5.998 -3.219 4.089) 7.941 5.063 ( -8.292 -1.420 -2.566) 8.795 5.229 ( 3.627 -2.991 -4.707) 6.653 5.351 ( -0.310 10.420 5.202) 11.650 5.590 ( -0.604 -7.972 1.285) 8.098 5.658 ( -5.913 0.021 -5.066) 7.786 5.709 ( -5.908 -2.736 -2.160) 6.860 5.981 ( 1.845 2.841 -4.195) 5.392 6.249 ( -3.647 0.838 -3.808) 5.339 6.700 ( 3.431 -0.695 2.614) 4.368 6.739 ( 6.422 -3.481 5.337) 9.047 6.851 ( 0.770 1.140 4.755) 4.950 7.212 ( -0.589 -1.145 -3.307) 3.549 7.573 ( -1.018 0.692 -3.300) 3.522 7.690 ( 3.021 -0.070 2.110) 3.686 7.809 ( -4.760 0.483 -1.921) 5.155 8.413 ( -15.096 4.827 -8.602) 18.032======================= Grid point 168 (75/196) =======================q-point: (-0.20 0.50 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 350Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.035 ( 3.854 -0.991 4.806) 6.240 1.463 ( 11.080 7.136 9.693) 16.360 1.579 ( 19.121 -0.937 -0.921) 19.166 1.702 ( -5.636 0.588 4.213) 7.061 1.778 ( 2.237 -2.755 6.715) 7.595 2.089 ( -4.981 2.264 -3.485) 6.487 2.277 ( 4.957 -1.875 -7.287) 9.010 2.539 ( 2.364 1.022 4.823) 5.467 2.583 ( 7.195 -1.847 -5.398) 9.182 2.745 ( -1.390 -0.983 3.675) 4.050 2.892 ( 6.680 9.839 6.162) 13.394 3.104 ( 1.080 -9.260 9.692) 13.448 3.135 ( 6.673 0.211 4.980) 8.329 3.269 ( 8.963 -3.092 0.834) 9.518 3.365 ( -6.279 2.695 3.677) 7.759 3.458 ( 5.810 -4.136 -0.366) 7.141 3.769 ( 4.754 -1.169 -3.026) 5.756 3.888 ( -2.202 -0.268 -3.090) 3.804 4.032 ( -3.854 3.976 -0.834) 5.600 4.147 ( 3.430 -0.089 -1.670) 3.816 4.263 ( -4.567 1.360 -0.199) 4.770 4.385 ( -5.797 -2.795 3.345) 7.253 4.518 ( 4.448 -0.478 7.330) 8.587 4.530 ( 1.400 -0.174 -2.160) 2.580 4.860 ( -5.095 2.027 -2.000) 5.837 5.058 ( 4.165 -1.771 -1.763) 4.857 5.131 ( 3.183 3.905 2.844) 5.785 5.275 ( 1.200 -1.129 -1.554) 2.265 5.319 ( -1.386 2.787 1.669) 3.532 5.520 ( -3.309 0.984 0.497) 3.488 5.600 ( -3.720 -7.758 -3.034) 9.122 5.704 ( 1.230 -6.208 1.941) 6.620 5.989 ( 1.223 4.786 -3.471) 6.037 6.169 ( -3.672 0.594 -4.037) 5.489 6.750 ( 1.322 0.097 3.336) 3.590 6.781 ( -1.353 -0.589 6.583) 6.746 6.930 ( 5.705 0.608 -0.882) 5.805 7.212 ( -0.262 -3.380 -4.228) 5.419 7.531 ( -2.887 1.064 -3.925) 4.987 7.704 ( -1.707 1.333 -0.254) 2.181 7.742 ( -1.586 -0.795 -0.682) 1.901 8.144 ( -9.872 4.630 -3.946) 11.595======================= Grid point 169 (76/196) =======================q-point: (-0.10 0.50 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 350Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.115 ( 3.652 -2.229 2.140) 4.784 1.451 ( -9.269 3.810 3.892) 10.751 1.695 ( 6.659 3.211 7.764) 10.720 1.737 ( -4.806 2.459 -0.751) 5.450 1.962 ( 18.509 -1.269 -3.760) 18.929 2.042 ( -0.837 -4.088 5.700) 7.064 2.380 ( 5.850 -2.533 -7.648) 9.956 2.525 ( -1.588 0.391 4.879) 5.146 2.676 ( 0.318 1.297 -1.882) 2.308 2.749 ( 2.219 -6.674 -6.487) 9.568 2.996 ( 3.451 4.880 9.521) 11.241 3.066 ( -5.384 -1.326 1.260) 5.686 3.224 ( 2.550 2.009 6.539) 7.301 3.274 ( -3.440 0.586 7.757) 8.505 3.419 ( 3.717 -1.953 -1.266) 4.386 3.555 ( 3.092 -4.377 2.311) 5.836 3.845 ( 0.149 0.590 -1.275) 1.412 3.896 ( 5.329 0.219 -1.083) 5.442 3.996 ( 3.836 6.402 -3.126) 8.092 4.086 ( -7.980 0.615 -7.366) 10.877 4.267 ( 1.833 -1.721 5.105) 5.691 4.303 ( -2.865 -1.358 3.549) 4.759 4.520 ( -0.890 -0.895 -2.060) 2.416 4.647 ( 6.295 -1.135 7.577) 9.916 4.798 ( -0.254 2.365 3.399) 4.149 5.084 ( -3.199 4.311 -0.706) 5.415 5.155 ( 4.413 0.363 -3.229) 5.481 5.197 ( -6.413 0.983 -1.795) 6.731 5.356 ( 3.034 -2.617 -0.510) 4.039 5.478 ( -1.908 -1.638 5.884) 6.399 5.656 ( 4.159 -6.315 -0.506) 7.579 5.753 ( 0.765 -4.714 1.267) 4.941 5.962 ( -0.593 5.482 -1.375) 5.683 6.123 ( -0.673 -0.288 -2.479) 2.584 6.724 ( -3.314 1.569 7.510) 8.358 6.783 ( 0.095 -0.087 0.589) 0.602 6.992 ( 2.336 2.368 -3.738) 5.004 7.238 ( 1.111 -4.421 -4.162) 6.173 7.454 ( -3.635 1.360 -5.179) 6.472 7.665 ( -1.694 0.904 -0.290) 1.942 7.717 ( -1.630 -0.792 -0.558) 1.896 8.008 ( -3.056 2.269 -1.991) 4.295======================= Grid point 176 (77/196) =======================q-point: ( 0.60 -0.40 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.965 ( 3.918 0.000 9.357) 10.144 1.163 ( 18.931 0.000 -0.103) 18.931 1.400 ( 10.083 0.000 13.234) 16.638 1.518 ( 10.988 0.000 9.842) 14.751 1.839 ( -5.058 -0.000 4.660) 6.877 2.166 ( 5.719 0.000 -8.009) 9.842 2.236 ( -1.836 -0.000 -5.457) 5.758 2.476 ( 0.950 0.000 6.660) 6.727 2.490 ( 8.764 0.000 -7.259) 11.380 2.659 ( 10.757 0.000 12.024) 16.134 2.754 ( 15.321 0.000 9.832) 18.204 3.009 ( 0.960 0.000 1.795) 2.036 3.036 ( -3.565 -0.000 6.220) 7.169 3.174 ( -0.797 -0.000 2.575) 2.696 3.251 ( 9.364 0.000 0.536) 9.379 3.482 ( -3.249 -0.000 1.599) 3.622 3.725 ( -2.131 -0.000 -2.454) 3.249 3.944 ( -2.634 -0.000 -7.100) 7.573 4.061 ( 5.405 0.000 -4.015) 6.733 4.169 ( -7.345 -0.000 2.416) 7.732 4.355 ( -4.283 -0.000 1.197) 4.447 4.382 ( 5.038 0.000 5.992) 7.829 4.465 ( -1.209 -0.000 7.016) 7.120 4.529 ( -0.467 -0.000 -1.960) 2.015 4.966 ( 7.092 0.000 -2.816) 7.630 4.973 ( 1.982 0.000 0.704) 2.103 5.059 ( -6.733 -0.000 -1.817) 6.974 5.213 ( 2.935 0.000 -4.574) 5.435 5.439 ( -0.544 -0.000 6.404) 6.427 5.511 ( 0.679 0.000 1.480) 1.628 5.667 ( -7.946 -0.000 -7.506) 10.931 5.690 ( -5.371 -0.000 -0.912) 5.448 5.996 ( 2.018 0.000 -4.307) 4.756 6.254 ( -3.667 -0.000 -3.907) 5.358 6.696 ( 3.607 0.000 2.498) 4.388 6.720 ( 6.876 0.000 5.642) 8.894 6.858 ( 0.768 0.000 4.896) 4.956 7.206 ( -0.801 -0.000 -3.495) 3.585 7.577 ( -1.054 -0.000 -3.479) 3.635 7.689 ( 3.134 0.000 2.152) 3.802 7.812 ( -4.870 -0.000 -1.932) 5.239 8.438 ( -15.281 -0.000 -8.673) 17.571======================= Grid point 178 (78/196) =======================q-point: (-0.30 0.60 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 350Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.029 ( 2.894 -0.317 5.272) 6.022 1.515 ( 13.693 1.940 1.260) 13.887 1.589 ( 15.062 2.708 5.964) 16.425 1.707 ( -5.146 0.520 5.219) 7.348 1.734 ( 6.722 -4.205 9.006) 11.999 2.120 ( -9.280 2.545 -5.374) 11.022 2.258 ( 4.084 -1.505 -6.728) 8.013 2.531 ( -0.989 -0.865 -5.202) 5.365 2.568 ( 7.798 -1.274 -1.199) 7.991 2.765 ( -0.309 2.951 6.358) 7.016 2.964 ( 4.968 1.158 9.736) 10.992 3.037 ( 4.994 -0.978 8.044) 9.518 3.141 ( 6.972 0.946 4.578) 8.394 3.229 ( 7.741 -3.598 2.443) 8.879 3.386 ( -6.266 1.134 3.869) 7.451 3.425 ( 7.313 -1.787 -1.785) 7.737 3.761 ( 5.380 -0.354 -2.937) 6.140 3.884 ( -2.496 -0.296 -3.464) 4.280 4.066 ( -2.801 2.040 -0.137) 3.467 4.141 ( 3.107 -0.748 -2.922) 4.330 4.276 ( -4.033 0.823 1.808) 4.496 4.362 ( -6.693 -1.325 3.404) 7.625 4.518 ( 4.276 0.458 7.749) 8.862 4.528 ( 1.384 -0.376 -1.936) 2.409 4.877 ( -5.609 0.934 -0.545) 5.712 5.036 ( 4.695 -1.540 -1.449) 5.149 5.173 ( 7.475 3.534 -0.573) 8.288 5.237 ( 0.268 -3.583 -5.628) 6.677 5.394 ( -4.055 8.787 4.884) 10.840 5.489 ( -5.951 -7.892 3.118) 10.365 5.554 ( -1.475 -0.082 -2.695) 3.073 5.653 ( 1.152 -2.905 0.262) 3.136 6.025 ( 1.728 1.863 -3.648) 4.446 6.172 ( -4.312 0.059 -4.343) 6.120 6.751 ( 2.152 0.066 2.056) 2.978 6.775 ( -0.999 -0.485 6.907) 6.995 6.939 ( 6.897 0.635 0.955) 6.992 7.186 ( -1.506 -1.383 -4.773) 5.193 7.539 ( -2.720 0.393 -4.094) 4.931 7.717 ( -0.853 1.070 0.302) 1.402 7.733 ( -2.520 -0.879 -1.416) 3.022 8.177 ( -11.068 1.635 -4.124) 11.924======================= Grid point 179 (79/196) =======================q-point: (-0.20 0.60 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 352Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.096 ( 3.761 -1.258 2.101) 4.488 1.487 ( -8.936 2.708 5.986) 11.092 1.726 ( 5.020 2.304 7.969) 9.696 1.757 ( -8.182 1.380 -2.256) 8.599 1.953 ( 19.471 -0.608 -4.289) 19.947 2.004 ( 1.143 -2.750 6.023) 6.720 2.353 ( 6.273 -2.278 -7.204) 9.820 2.520 ( -0.543 -0.545 2.048) 2.188 2.673 ( -2.014 -3.981 -5.444) 7.039 2.730 ( 3.477 4.254 -2.619) 6.086 2.991 ( -3.159 -4.334 10.040) 11.383 3.078 ( -0.828 2.541 2.885) 3.933 3.257 ( 4.970 4.167 5.559) 8.542 3.283 ( -3.406 1.215 6.861) 7.755 3.398 ( 5.023 -2.696 0.348) 5.711 3.512 ( 2.180 -3.243 1.262) 4.107 3.849 ( -0.659 0.328 -1.558) 1.723 3.896 ( 7.930 -0.159 -1.825) 8.139 4.056 ( 3.348 4.709 -3.233) 6.621 4.096 ( -8.589 1.079 -5.708) 10.370 4.244 ( -1.071 -2.050 4.333) 4.912 4.285 ( 0.197 -2.150 4.713) 5.184 4.522 ( -0.138 1.070 -2.593) 2.809 4.633 ( 5.355 -1.436 9.450) 10.956 4.821 ( -0.019 1.754 5.003) 5.302 5.114 ( -6.464 1.414 -7.097) 9.703 5.150 ( 6.602 -1.046 -2.894) 7.284 5.232 ( -8.229 5.412 -0.075) 9.850 5.341 ( 5.298 -0.297 -0.237) 5.312 5.438 ( -3.038 -6.009 3.871) 7.767 5.609 ( 4.869 -2.281 3.108) 6.210 5.708 ( 2.214 -3.482 1.425) 4.365 6.018 ( -0.483 4.701 -2.456) 5.326 6.113 ( -1.511 -1.494 -2.736) 3.464 6.735 ( -3.332 0.601 6.597) 7.416 6.782 ( 0.561 -0.088 0.778) 0.963 7.032 ( 3.482 4.924 -2.452) 6.510 7.181 ( 0.600 -6.079 -3.937) 7.267 7.468 ( -3.646 1.071 -5.649) 6.808 7.677 ( -1.853 1.326 -0.498) 2.332 7.706 ( -1.777 -1.230 -0.633) 2.252 8.028 ( -4.198 1.353 -1.982) 4.835======================= Grid point 180 (80/196) =======================q-point: (-0.10 -0.40 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 350Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.160 ( -0.568 -0.935 -2.885) 3.085 1.306 ( -6.124 3.302 3.323) 7.710 1.561 ( -9.286 -4.936 -1.276) 10.593 1.826 ( 3.892 0.646 7.798) 8.739 2.071 ( 3.002 0.746 6.320) 7.036 2.221 ( 6.473 0.755 -3.845) 7.567 2.453 ( 3.065 -1.200 -1.716) 3.712 2.509 ( -3.772 -1.267 6.231) 7.393 2.641 ( 6.166 -1.043 -9.890) 11.702 2.796 ( 1.100 0.091 -2.072) 2.348 2.935 ( -5.380 -4.053 7.391) 10.000 3.018 ( -2.823 2.422 -2.580) 4.527 3.218 ( -3.042 0.545 7.884) 8.468 3.280 ( -1.869 6.337 3.950) 7.697 3.426 ( -1.084 -0.777 -1.963) 2.373 3.576 ( 1.336 -5.423 5.901) 8.125 3.834 ( -0.787 -0.038 -1.930) 2.084 3.895 ( -9.063 1.420 -4.707) 10.311 4.056 ( 7.237 0.417 -2.125) 7.554 4.098 ( 2.497 0.477 -0.582) 2.608 4.205 ( -1.781 4.037 1.053) 4.536 4.367 ( 4.554 -1.903 4.423) 6.628 4.502 ( -0.845 1.375 -1.161) 1.988 4.750 ( 5.036 -2.530 9.402) 10.961 4.851 ( 3.003 2.596 4.715) 6.164 5.001 ( -4.576 -4.010 -4.980) 7.863 5.061 ( -7.011 4.312 -0.535) 8.248 5.270 ( 6.109 0.898 -1.772) 6.424 5.376 ( -0.785 -1.303 3.622) 3.928 5.473 ( 3.397 -2.115 2.802) 4.885 5.699 ( 1.853 -2.664 0.826) 3.349 5.787 ( 5.087 -2.910 1.385) 6.022 5.970 ( -1.423 5.011 0.177) 5.212 6.122 ( 1.307 -2.099 0.014) 2.473 6.656 ( -5.468 0.564 4.506) 7.108 6.773 ( -1.567 0.472 -0.928) 1.881 7.030 ( 0.396 3.496 -3.553) 5.000 7.250 ( 2.868 -3.432 -3.287) 5.551 7.406 ( -1.212 0.492 -5.867) 6.011 7.615 ( -3.954 0.195 -2.291) 4.573 7.709 ( 1.415 -0.689 0.393) 1.622 7.986 ( -0.262 0.482 -1.459) 1.559======================= Grid point 188 (81/196) =======================q-point: ( 0.70 -0.30 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 195Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.089 ( 3.797 0.000 2.092) 4.335 1.502 ( -8.614 -0.000 7.004) 11.102 1.739 ( 5.333 0.000 8.727) 10.227 1.765 ( -11.410 -0.000 -3.901) 12.058 1.949 ( 19.957 0.000 -4.372) 20.430 1.989 ( 2.504 0.000 6.305) 6.784 2.340 ( 6.555 0.000 -6.993) 9.585 2.518 ( -0.501 -0.000 0.919) 1.047 2.648 ( 0.211 0.000 -6.630) 6.633 2.763 ( 0.724 0.000 -2.618) 2.716 2.959 ( -2.229 -0.000 12.064) 12.268 3.092 ( -1.940 -0.000 3.048) 3.613 3.283 ( -5.241 -0.000 5.253) 7.420 3.301 ( 6.950 0.000 4.383) 8.217 3.372 ( 6.508 0.000 3.715) 7.493 3.494 ( 1.437 0.000 0.017) 1.437 3.851 ( -1.133 -0.000 -1.689) 2.034 3.894 ( 8.986 0.000 -2.057) 9.218 4.084 ( 2.831 0.000 -3.550) 4.540 4.103 ( -8.469 -0.000 -5.004) 9.836 4.232 ( -0.515 -0.000 4.110) 4.142 4.270 ( -0.328 -0.000 4.990) 5.001 4.531 ( 0.451 0.000 -3.137) 3.169 4.623 ( 4.700 0.000 10.737) 11.720 4.831 ( 0.161 0.000 5.893) 5.895 5.120 ( -7.975 -0.000 -10.137) 12.899 5.143 ( 7.056 0.000 -2.337) 7.433 5.275 ( -9.766 -0.000 -0.822) 9.800 5.347 ( 7.444 0.000 -0.618) 7.469 5.384 ( -2.471 -0.000 4.892) 5.481 5.600 ( 3.926 0.000 4.883) 6.265 5.688 ( 3.126 0.000 0.979) 3.275 6.048 ( 0.304 0.000 -2.817) 2.834 6.100 ( -2.488 -0.000 -2.749) 3.708 6.738 ( -3.350 -0.000 6.209) 7.055 6.782 ( 0.785 0.000 0.835) 1.146 7.075 ( 7.140 0.000 -0.529) 7.160 7.132 ( -2.950 -0.000 -5.277) 6.046 7.474 ( -3.560 -0.000 -5.774) 6.783 7.691 ( -3.145 -0.000 -0.251) 3.155 7.692 ( -0.590 -0.000 -0.991) 1.153 8.035 ( -4.610 -0.000 -1.978) 5.017======================= Grid point 190 (82/196) =======================q-point: (-0.20 -0.30 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 350Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.154 ( 0.675 -0.286 -3.206) 3.289 1.341 ( -8.263 2.575 5.522) 10.266 1.512 ( -10.767 -3.403 -3.716) 11.888 1.830 ( 3.859 0.212 8.117) 8.991 2.080 ( 3.846 0.564 6.108) 7.240 2.230 ( 6.555 0.622 -4.337) 7.884 2.439 ( 2.677 -0.925 -0.192) 2.839 2.497 ( -2.120 -0.801 4.759) 5.271 2.638 ( 6.546 0.054 -11.710) 13.415 2.797 ( 0.895 0.059 -1.703) 1.925 2.906 ( -6.967 -1.448 10.582) 12.752 3.037 ( -1.206 1.031 -2.566) 3.017 3.218 ( -2.449 -0.212 6.946) 7.368 3.333 ( -2.025 3.172 0.805) 3.849 3.423 ( -1.385 -0.037 -1.024) 1.723 3.529 ( 1.042 -2.844 6.981) 7.610 3.834 ( -0.706 0.014 -2.239) 2.348 3.905 ( -10.178 0.472 -3.728) 10.850 4.065 ( 8.059 1.054 -1.564) 8.276 4.088 ( -0.821 -1.433 0.284) 1.676 4.262 ( 2.541 6.137 0.697) 6.678 4.325 ( 3.921 -5.489 1.705) 6.958 4.530 ( 0.163 2.524 0.104) 2.532 4.717 ( 3.697 -2.610 9.235) 10.284 4.882 ( 4.183 2.319 8.082) 9.392 4.965 ( -6.634 -2.329 -7.579) 10.338 5.100 ( -7.813 2.426 -1.310) 8.285 5.274 ( 6.694 0.103 -0.906) 6.756 5.358 ( -1.043 -1.451 4.406) 4.755 5.461 ( 4.770 -0.400 1.339) 4.971 5.678 ( 3.351 -1.142 1.658) 3.909 5.762 ( 4.583 -1.293 1.703) 5.057 6.020 ( -1.745 3.640 -1.596) 4.341 6.096 ( 1.215 -2.319 0.607) 2.688 6.660 ( -5.759 0.167 4.203) 7.131 6.776 ( -1.457 0.181 -0.780) 1.662 7.071 ( -1.076 3.374 -3.779) 5.179 7.206 ( 5.171 -3.656 -1.809) 6.586 7.414 ( -1.786 0.537 -6.677) 6.932 7.617 ( -4.425 0.118 -2.351) 5.012 7.703 ( 1.632 -0.284 0.372) 1.698 7.989 ( -0.707 0.183 -1.360) 1.543======================= Grid point 191 (83/196) =======================q-point: (-0.10 -0.30 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 350Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.005 ( -12.544 -0.468 -6.929) 14.338 1.229 ( -7.171 -4.634 3.514) 9.233 1.493 ( 5.703 -0.739 -1.402) 5.919 1.894 ( 2.553 1.142 6.985) 7.524 2.042 ( -15.191 1.745 -2.593) 15.509 2.148 ( -1.899 -2.592 4.703) 5.696 2.470 ( 0.391 1.846 5.303) 5.629 2.576 ( 7.399 -0.172 1.873) 7.634 2.654 ( -14.449 3.016 3.162) 15.095 2.769 ( -9.414 -7.163 5.709) 13.135 2.855 ( 12.941 -0.029 -10.274) 16.523 3.067 ( 4.358 4.603 -2.866) 6.957 3.175 ( -4.696 1.850 4.868) 7.012 3.238 ( -4.851 4.877 2.945) 7.482 3.367 ( -3.237 -3.476 -3.486) 5.892 3.543 ( -2.831 -4.112 7.660) 9.143 3.757 ( -4.591 0.174 -4.745) 6.604 3.820 ( -0.966 -0.679 -1.994) 2.317 4.037 ( -2.656 -0.770 2.618) 3.808 4.223 ( 7.206 0.880 -1.334) 7.381 4.246 ( 0.116 7.219 0.349) 7.229 4.422 ( 2.456 -6.274 -2.530) 7.197 4.523 ( 1.956 5.233 2.764) 6.233 4.767 ( -2.628 -6.530 -6.525) 9.598 4.883 ( 2.269 2.930 7.983) 8.801 4.958 ( -4.641 1.208 -0.270) 4.803 5.030 ( 6.174 -0.155 9.955) 11.715 5.309 ( -1.818 -1.426 8.320) 8.635 5.437 ( 7.752 1.591 -3.252) 8.555 5.548 ( 4.671 -0.909 2.571) 5.409 5.723 ( 1.720 0.759 -1.866) 2.649 5.869 ( 4.693 -2.722 1.557) 5.644 5.955 ( -2.633 3.018 0.324) 4.019 6.153 ( 2.914 -1.881 3.555) 4.967 6.537 ( -7.713 -0.499 0.560) 7.750 6.727 ( -3.391 0.492 -2.628) 4.318 7.043 ( -0.281 3.044 -2.388) 3.879 7.291 ( 2.802 -0.932 -2.698) 4.000 7.410 ( 2.215 -0.890 -5.315) 5.826 7.535 ( -3.934 -0.606 -4.635) 6.109 7.750 ( 3.056 -0.316 1.320) 3.344 7.993 ( 1.046 -0.644 -1.447) 1.898======================= Grid point 200 (84/196) =======================q-point: (-0.20 -0.20 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.005 ( -13.951 -0.000 -8.470) 16.321 1.202 ( -8.167 -0.000 4.261) 9.211 1.489 ( 7.046 0.000 -1.737) 7.257 1.897 ( 2.205 0.000 6.490) 6.855 2.061 ( -17.492 -0.000 -2.451) 17.663 2.126 ( 0.236 0.000 5.257) 5.263 2.484 ( 0.965 0.000 3.207) 3.349 2.570 ( 7.942 0.000 3.508) 8.682 2.682 ( -17.927 -0.000 12.247) 21.711 2.719 ( -7.110 -0.000 -2.075) 7.406 2.856 ( 14.454 0.000 -10.212) 17.697 3.094 ( 4.379 0.000 -2.191) 4.896 3.186 ( -4.020 -0.000 4.295) 5.883 3.269 ( -5.414 -0.000 1.558) 5.633 3.344 ( -3.913 -0.000 -4.111) 5.675 3.520 ( -2.508 -0.000 8.448) 8.812 3.758 ( -5.193 -0.000 -4.098) 6.615 3.816 ( -1.076 -0.000 -2.318) 2.555 4.031 ( -1.850 -0.000 3.362) 3.837 4.228 ( 7.220 0.000 -0.886) 7.274 4.307 ( -0.247 -0.000 3.597) 3.606 4.367 ( 1.980 0.000 -7.379) 7.640 4.560 ( 2.198 0.000 3.379) 4.031 4.723 ( -2.186 -0.000 -7.223) 7.547 4.900 ( 1.913 0.000 9.312) 9.507 4.964 ( -4.132 -0.000 -1.768) 4.495 5.031 ( 5.698 0.000 10.534) 11.976 5.300 ( -2.032 -0.000 9.044) 9.270 5.444 ( 8.545 0.000 -3.547) 9.252 5.543 ( 4.395 0.000 2.584) 5.098 5.730 ( 2.470 0.000 -2.352) 3.411 5.849 ( 4.883 0.000 2.683) 5.572 5.976 ( -3.644 -0.000 -1.494) 3.938 6.141 ( 3.367 0.000 4.197) 5.380 6.535 ( -8.046 -0.000 0.604) 8.069 6.730 ( -3.331 -0.000 -2.561) 4.202 7.062 ( -0.301 -0.000 -2.411) 2.430 7.282 ( 3.735 0.000 -2.047) 4.259 7.407 ( 1.688 0.000 -6.076) 6.306 7.532 ( -4.255 -0.000 -4.448) 6.155 7.749 ( 3.097 0.000 1.271) 3.348 7.989 ( 0.593 0.000 -1.295) 1.424======================= Grid point 201 (85/196) =======================q-point: (-0.10 -0.20 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 350Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.733 ( -14.591 -3.646 -6.730) 16.477 1.055 ( -9.425 -2.663 3.654) 10.454 1.622 ( 3.450 1.202 -2.302) 4.318 1.648 ( -21.143 -1.728 -3.862) 21.562 1.975 ( 2.937 4.181 7.472) 9.052 2.105 ( -3.376 -3.117 3.634) 5.858 2.279 ( -25.505 0.707 17.317) 30.837 2.524 ( 1.387 -0.046 -3.868) 4.109 2.631 ( 0.452 0.428 1.477) 1.603 2.670 ( 1.141 -1.846 6.609) 6.956 2.967 ( -10.984 1.559 -5.978) 12.602 3.084 ( -8.613 1.955 2.995) 9.326 3.120 ( 6.510 1.544 -3.962) 7.776 3.159 ( -1.800 -1.051 2.234) 3.056 3.366 ( 4.317 0.504 -0.599) 4.387 3.462 ( -3.976 -1.902 3.976) 5.936 3.702 ( -0.848 0.104 -6.586) 6.641 3.807 ( 0.452 -1.270 -0.900) 1.621 4.058 ( 4.550 1.547 2.861) 5.593 4.280 ( 0.321 6.447 1.578) 6.645 4.311 ( 1.963 0.321 -2.793) 3.429 4.382 ( -1.768 -7.992 -2.632) 8.598 4.606 ( 3.275 3.193 0.647) 4.619 4.706 ( 1.142 -2.657 -6.756) 7.349 4.861 ( -5.709 0.711 -0.441) 5.770 4.968 ( 2.655 0.852 13.296) 13.585 5.179 ( 7.864 1.318 8.007) 11.300 5.286 ( 0.070 -1.187 9.523) 9.597 5.594 ( 7.837 1.743 -1.889) 8.248 5.634 ( 4.594 -0.850 2.576) 5.335 5.756 ( 1.354 1.361 -4.616) 4.999 5.886 ( -2.682 0.903 -2.184) 3.575 5.955 ( 2.995 -1.996 5.074) 6.221 6.195 ( 0.915 -0.594 4.357) 4.492 6.383 ( -7.684 -0.828 -2.918) 8.261 6.655 ( -4.148 0.473 -4.140) 5.880 7.049 ( -0.465 2.304 -1.060) 2.579 7.337 ( 2.894 0.805 -2.957) 4.215 7.455 ( 2.422 -0.533 -3.844) 4.574 7.465 ( -1.487 -1.835 -5.078) 5.601 7.811 ( 3.360 -0.067 1.517) 3.687 8.009 ( 1.474 -1.873 -1.680) 2.916======================= Grid point 211 (86/196) =======================q-point: (-0.10 -0.10 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 195Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.452 ( -13.241 -0.000 -1.615) 13.339 0.849 ( -13.562 -0.000 5.390) 14.594 1.200 ( -22.295 -0.000 0.205) 22.296 1.655 ( -3.302 -0.000 0.612) 3.358 1.763 ( -30.073 -0.000 22.611) 37.625 2.025 ( -2.607 -0.000 -1.686) 3.105 2.095 ( 5.534 0.000 6.902) 8.847 2.535 ( 0.312 0.000 -6.474) 6.481 2.620 ( -7.575 -0.000 5.991) 9.658 2.726 ( -10.678 -0.000 -4.416) 11.555 2.736 ( 4.396 0.000 1.968) 4.816 2.804 ( -14.036 -0.000 9.382) 16.883 3.121 ( -1.975 -0.000 5.583) 5.922 3.288 ( 6.919 0.000 -6.691) 9.625 3.407 ( -1.811 -0.000 0.288) 1.834 3.446 ( 3.025 0.000 -2.455) 3.896 3.717 ( 3.041 0.000 -7.543) 8.133 3.826 ( 2.373 0.000 -0.481) 2.421 4.186 ( 6.814 0.000 1.109) 6.904 4.282 ( -2.993 -0.000 -12.500) 12.853 4.288 ( -3.661 -0.000 1.562) 3.981 4.387 ( 6.923 0.000 9.264) 11.565 4.653 ( 0.776 0.000 -2.507) 2.624 4.754 ( -5.831 -0.000 3.213) 6.657 4.757 ( 4.375 0.000 -1.742) 4.709 4.988 ( -2.007 -0.000 10.662) 10.850 5.327 ( 3.639 0.000 7.899) 8.697 5.336 ( 7.228 0.000 3.218) 7.912 5.667 ( -1.648 -0.000 -6.638) 6.840 5.684 ( 0.261 0.000 2.325) 2.339 5.807 ( 4.201 0.000 -5.734) 7.108 5.861 ( 0.760 0.000 -0.193) 0.784 5.993 ( 0.627 0.000 4.560) 4.603 6.129 ( -6.778 -0.000 1.255) 6.893 6.307 ( -0.478 -0.000 1.101) 1.200 6.584 ( -2.845 -0.000 -4.489) 5.314 7.046 ( -0.556 -0.000 0.527) 0.766 7.401 ( 3.526 0.000 -6.008) 6.966 7.415 ( -1.206 -0.000 -4.926) 5.071 7.531 ( 5.403 0.000 2.759) 6.067 7.868 ( 2.538 0.000 1.059) 2.750 8.023 ( 1.150 0.000 -2.037) 2.339======================= Grid point 212 (87/196) =======================q-point: ( 0.00 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.818 ( 10.029 0.000 20.071) 22.437 1.083 ( 0.440 0.000 21.359) 21.364 1.397 ( 9.355 0.000 12.325) 15.473 1.601 ( 1.133 0.000 28.919) 28.941 1.713 ( 4.948 0.000 7.086) 8.643 1.895 ( -1.521 -0.000 -4.039) 4.316 1.959 ( -5.476 -0.000 -4.448) 7.055 2.202 ( -1.337 -0.000 -1.167) 1.775 2.315 ( -7.243 -0.000 -9.053) 11.594 2.612 ( -1.337 -0.000 8.922) 9.021 2.685 ( -3.645 -0.000 -5.253) 6.394 2.912 ( -2.379 -0.000 -1.504) 2.815 3.221 ( 4.499 0.000 0.031) 4.500 3.231 ( 6.568 0.000 5.586) 8.622 3.357 ( -0.135 -0.000 -1.192) 1.200 3.445 ( 2.642 0.000 -2.711) 3.786 3.866 ( 3.279 0.000 0.140) 3.282 3.916 ( -5.351 -0.000 -1.503) 5.558 4.000 ( 2.404 0.000 1.949) 3.095 4.211 ( 4.664 0.000 4.016) 6.155 4.349 ( -6.469 -0.000 -1.479) 6.636 4.583 ( -10.562 -0.000 -3.250) 11.051 4.597 ( 2.450 0.000 3.564) 4.325 4.813 ( -0.311 -0.000 7.231) 7.238 4.831 ( -4.243 -0.000 -3.338) 5.399 5.038 ( 1.543 0.000 4.528) 4.783 5.117 ( 3.180 0.000 9.367) 9.892 5.344 ( -2.143 -0.000 -3.634) 4.219 5.553 ( -1.026 -0.000 -3.261) 3.418 5.617 ( -5.708 -0.000 -4.797) 7.456 5.637 ( -2.773 -0.000 -1.985) 3.410 5.769 ( 0.725 0.000 0.568) 0.921 6.034 ( -3.751 -0.000 4.950) 6.211 6.296 ( -2.487 -0.000 0.635) 2.567 6.558 ( 10.299 0.000 4.055) 11.068 6.598 ( 5.487 0.000 -1.815) 5.779 6.978 ( -3.880 -0.000 -2.787) 4.777 7.190 ( 1.776 0.000 -15.426) 15.528 7.547 ( 6.633 0.000 4.569) 8.054 7.803 ( -0.918 -0.000 -1.756) 1.982 7.901 ( -2.586 -0.000 -0.940) 2.751 7.956 ( -0.194 -0.000 -3.708) 3.713======================= Grid point 213 (88/196) =======================q-point: ( 0.10 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 350Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.006 ( -5.024 -0.468 17.945) 18.641 1.051 ( 12.450 -2.480 18.583) 22.505 1.532 ( 3.988 3.334 9.130) 10.506 1.811 ( 1.297 -1.497 -0.502) 2.043 1.857 ( 5.224 0.967 2.199) 5.750 1.900 ( 8.434 -1.284 6.077) 10.474 1.966 ( 13.736 -4.943 19.263) 24.170 2.172 ( -5.596 3.930 -11.481) 13.364 2.255 ( 3.797 -0.768 -4.566) 5.988 2.634 ( 2.667 -2.331 -3.837) 5.222 2.736 ( 13.120 -0.173 6.964) 14.854 2.932 ( 3.249 -0.079 2.055) 3.845 3.293 ( -5.700 3.136 -0.473) 6.523 3.340 ( 5.889 -0.681 -0.186) 5.931 3.350 ( 5.309 1.249 5.293) 7.600 3.510 ( 4.402 -1.974 -1.891) 5.182 3.810 ( -4.250 0.495 -9.066) 10.025 3.881 ( -2.277 -0.476 1.762) 2.918 4.015 ( -1.884 1.530 5.085) 5.635 4.200 ( -6.794 -1.838 -2.754) 7.558 4.338 ( 4.300 1.170 5.746) 7.271 4.378 ( -7.627 -1.684 -1.920) 8.043 4.614 ( -0.840 0.426 6.774) 6.839 4.752 ( -3.638 0.551 -3.180) 4.864 4.807 ( -1.251 0.900 3.448) 3.777 5.062 ( 0.134 -0.769 5.783) 5.836 5.236 ( 7.282 -0.011 11.086) 13.264 5.286 ( -2.734 0.620 -0.594) 2.865 5.477 ( -1.698 11.166 -2.793) 11.635 5.546 ( -4.696 -1.404 -5.586) 7.431 5.610 ( -0.939 -8.512 -3.223) 9.150 5.808 ( 2.252 0.384 -0.526) 2.344 5.948 ( -4.640 1.133 5.300) 7.134 6.231 ( -4.480 -0.460 -0.471) 4.528 6.694 ( 5.032 0.939 -2.213) 5.577 6.737 ( 8.056 0.006 0.835) 8.099 6.902 ( -3.326 1.005 -4.031) 5.322 7.206 ( 1.349 0.944 -13.399) 13.500 7.651 ( 3.711 1.610 3.407) 5.289 7.710 ( -5.738 4.797 -0.061) 7.479 7.827 ( -4.320 -0.657 -1.212) 4.535 7.973 ( -1.675 -9.575 -3.731) 10.412======================= Grid point 214 (89/196) =======================q-point: ( 0.20 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 352Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.017 ( 3.906 -1.103 8.067) 9.031 1.334 ( 14.499 -3.718 15.876) 21.819 1.564 ( 2.515 4.858 5.157) 7.518 1.757 ( -7.767 -8.061 -3.998) 11.887 1.852 ( -1.967 5.509 -0.528) 5.874 2.080 ( 3.576 1.089 -5.640) 6.767 2.083 ( 6.583 -1.981 -0.126) 6.875 2.319 ( 5.636 0.529 -3.107) 6.457 2.422 ( 21.640 -5.219 20.407) 30.199 2.818 ( 11.035 -2.338 2.985) 11.668 2.968 ( 9.390 4.912 1.001) 10.645 3.029 ( 2.614 0.331 3.991) 4.782 3.121 ( -2.912 0.465 0.971) 3.105 3.404 ( 1.957 2.636 -1.713) 3.703 3.443 ( 3.004 0.141 4.187) 5.155 3.582 ( 0.243 2.238 0.014) 2.251 3.751 ( -0.497 0.941 -7.828) 7.900 3.773 ( -5.850 -0.538 -4.200) 7.222 4.002 ( 1.294 -2.047 4.344) 4.973 4.077 ( -7.532 -2.254 -2.245) 8.176 4.281 ( -2.397 -1.230 0.951) 2.857 4.451 ( 3.918 -1.126 5.150) 6.568 4.597 ( -0.592 0.142 9.061) 9.081 4.683 ( -3.022 1.860 -2.461) 4.319 4.774 ( -1.301 -0.153 0.244) 1.332 5.066 ( -0.659 -0.871 6.307) 6.400 5.235 ( -2.409 0.092 2.584) 3.534 5.349 ( -0.868 -0.750 3.104) 3.309 5.406 ( 0.708 12.111 -1.109) 12.182 5.493 ( 2.751 -0.800 2.143) 3.578 5.635 ( -0.682 -6.348 -4.809) 7.993 5.812 ( -1.805 -0.610 -2.145) 2.869 5.914 ( 1.841 2.696 6.636) 7.395 6.147 ( -4.636 -0.672 -1.643) 4.964 6.756 ( 2.619 1.196 -2.957) 4.127 6.836 ( 1.616 1.054 -1.416) 2.393 6.854 ( 0.159 -0.739 -3.052) 3.145 7.200 ( 0.370 2.850 -9.651) 10.070 7.549 ( -7.548 1.441 -0.591) 7.707 7.704 ( 0.518 0.527 0.432) 0.856 7.763 ( -2.484 -0.381 -0.308) 2.531 7.975 ( -2.669 -7.738 -2.787) 8.647======================= Grid point 215 (90/196) =======================q-point: ( 0.30 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 350Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.121 ( 5.025 -0.796 1.755) 5.382 1.537 ( -7.353 -3.514 -3.975) 9.067 1.630 ( 12.715 -2.622 10.705) 16.827 1.702 ( 0.265 -4.876 -0.296) 4.892 1.805 ( 4.488 6.416 3.356) 8.519 2.126 ( 4.926 2.852 -4.012) 6.964 2.260 ( 6.108 -3.769 4.129) 8.280 2.416 ( 4.374 -1.484 -2.390) 5.200 2.723 ( 2.959 6.609 4.878) 8.731 2.858 ( -2.978 2.400 4.568) 5.958 2.959 ( 4.213 -2.811 6.369) 8.138 3.174 ( 11.263 1.643 -0.777) 11.409 3.271 ( 3.757 -2.956 2.984) 5.635 3.367 ( -5.330 -1.792 5.887) 8.142 3.419 ( 1.268 6.519 -3.020) 7.296 3.561 ( 1.917 0.585 0.186) 2.013 3.752 ( 2.980 0.811 -7.426) 8.042 3.787 ( 4.216 0.581 -0.690) 4.311 3.941 ( -7.912 -1.630 -1.164) 8.162 4.036 ( -2.161 -3.968 0.476) 4.543 4.299 ( 3.967 -1.861 5.956) 7.394 4.454 ( -4.522 -1.956 2.638) 5.589 4.616 ( -1.678 3.819 -0.254) 4.179 4.664 ( 5.669 -0.406 8.662) 10.360 4.783 ( 1.415 -2.313 0.962) 2.877 5.070 ( 0.149 -0.749 5.822) 5.872 5.173 ( -4.861 0.960 -0.298) 4.964 5.256 ( -6.390 -2.315 -2.536) 7.254 5.373 ( 2.488 10.043 -1.577) 10.466 5.618 ( 2.998 -2.171 7.608) 8.460 5.651 ( 3.598 -0.505 0.837) 3.729 5.776 ( -1.754 0.252 -2.877) 3.379 5.960 ( 3.114 2.169 6.249) 7.311 6.082 ( -1.942 -0.267 -1.934) 2.754 6.774 ( 0.435 1.092 -3.282) 3.486 6.828 ( 0.345 1.232 -4.267) 4.455 6.870 ( -0.930 -2.706 -0.598) 2.923 7.173 ( -0.998 2.485 -6.695) 7.210 7.421 ( -5.671 -0.705 -3.580) 6.744 7.686 ( -1.420 0.728 -0.004) 1.596 7.734 ( -1.481 -0.323 -0.569) 1.619 7.956 ( -2.519 -4.522 -2.245) 5.642======================= Grid point 216 (91/196) =======================q-point: ( 0.40 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 352Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.188 ( 2.037 1.374 2.096) 3.230 1.389 ( -9.406 -5.685 -3.199) 11.447 1.677 ( -1.145 -3.141 -2.064) 3.928 1.892 ( 8.974 -1.394 10.442) 13.839 1.977 ( 13.448 3.560 2.443) 14.124 2.210 ( 5.539 3.709 0.529) 6.687 2.272 ( -2.420 2.031 1.228) 3.389 2.499 ( 1.437 -6.754 -3.524) 7.752 2.675 ( -1.542 7.311 -1.808) 7.687 2.804 ( 2.404 7.539 3.873) 8.810 2.968 ( -8.967 -3.731 -4.751) 10.812 3.224 ( -2.343 -1.977 11.189) 11.601 3.331 ( 4.319 -2.705 4.706) 6.936 3.400 ( 0.041 1.022 3.331) 3.485 3.431 ( 2.717 1.918 -0.470) 3.359 3.605 ( 1.860 0.636 -0.440) 2.015 3.833 ( -4.098 -2.744 -2.806) 5.674 3.841 ( 7.131 0.419 -5.404) 8.957 3.864 ( 3.014 1.321 -3.499) 4.803 3.985 ( -1.886 -3.205 4.997) 6.229 4.349 ( -7.886 -2.595 2.005) 8.541 4.420 ( 6.000 -0.510 7.631) 9.721 4.567 ( -1.436 3.862 0.273) 4.129 4.792 ( 5.591 -2.441 8.330) 10.325 4.836 ( 2.629 -0.800 0.388) 2.775 5.054 ( -5.205 2.632 -4.816) 7.564 5.091 ( 0.768 -1.563 4.340) 4.677 5.182 ( -3.001 -2.431 1.280) 4.069 5.397 ( 4.604 4.561 0.824) 6.533 5.602 ( -2.398 0.432 2.076) 3.201 5.734 ( -1.373 1.747 -3.410) 4.070 5.767 ( 4.297 -0.127 5.602) 7.061 6.000 ( 1.811 2.399 5.960) 6.675 6.099 ( 3.966 0.079 1.319) 4.180 6.759 ( -1.301 0.219 -3.242) 3.500 6.793 ( -4.124 0.263 -1.704) 4.469 6.882 ( 1.554 -1.930 -4.131) 4.817 7.129 ( -2.391 -1.641 -7.324) 7.877 7.350 ( -1.337 1.795 -2.859) 3.631 7.643 ( -3.682 -0.433 -1.687) 4.073 7.715 ( 0.087 0.563 0.516) 0.768 7.934 ( -1.288 -2.014 -2.513) 3.469======================= Grid point 217 (92/196) =======================q-point: (-0.50 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 350Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.152 ( -5.425 3.885 0.672) 6.707 1.312 ( -0.033 -2.420 0.433) 2.458 1.633 ( -5.397 1.903 2.149) 6.113 1.975 ( 0.690 -1.195 7.014) 7.149 2.154 ( 2.287 1.520 0.578) 2.806 2.252 ( 5.414 0.600 3.933) 6.719 2.361 ( 7.572 0.539 -3.820) 8.498 2.502 ( 0.626 1.148 -4.024) 4.231 2.586 ( -2.401 -0.721 -1.317) 2.832 2.778 ( -12.043 -4.661 -6.314) 14.374 2.915 ( 9.798 5.916 6.004) 12.925 3.184 ( -4.054 -0.942 9.166) 10.067 3.331 ( -5.208 -3.232 4.536) 7.626 3.377 ( -3.410 -0.374 6.836) 7.649 3.440 ( -0.479 3.836 1.090) 4.017 3.637 ( 2.619 -0.042 -3.083) 4.045 3.731 ( -8.254 -3.780 -7.616) 11.850 3.859 ( 1.251 4.776 -0.086) 4.938 4.013 ( 9.257 -1.328 -1.283) 9.439 4.072 ( 6.064 -2.953 4.448) 8.080 4.209 ( -8.880 -4.142 2.231) 10.049 4.490 ( -0.492 0.569 1.551) 1.724 4.535 ( 1.790 4.754 3.817) 6.354 4.819 ( -3.186 6.288 -4.713) 8.479 4.888 ( 1.439 -4.933 5.901) 7.825 5.023 ( 2.717 -1.270 1.095) 3.193 5.111 ( -0.107 -2.786 6.696) 7.253 5.196 ( 3.907 -1.038 -1.616) 4.354 5.490 ( 6.005 -0.388 4.186) 7.330 5.553 ( -2.669 1.041 3.823) 4.777 5.692 ( -0.970 2.500 -3.980) 4.799 5.827 ( 1.797 -0.336 0.416) 1.875 6.019 ( 1.527 3.317 5.312) 6.446 6.201 ( 5.959 0.437 5.948) 8.431 6.678 ( -7.605 0.807 -2.563) 8.066 6.717 ( -3.279 -0.852 -3.586) 4.934 6.917 ( 1.230 -1.691 -4.582) 5.037 7.112 ( 0.318 -3.482 -8.824) 9.492 7.344 ( 2.135 3.175 -0.391) 3.846 7.555 ( -5.508 -0.360 -2.853) 6.213 7.737 ( 2.345 0.792 1.423) 2.855 7.928 ( 0.112 -0.741 -3.141) 3.229======================= Grid point 218 (93/196) =======================q-point: (-0.40 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 352Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.001 ( -6.820 8.450 2.400) 11.121 1.336 ( -1.175 3.296 0.997) 3.638 1.511 ( -1.699 4.640 0.887) 5.020 1.993 ( -15.865 0.437 -0.229) 15.872 2.017 ( 1.143 -3.586 7.001) 7.949 2.307 ( 0.037 2.464 6.183) 6.656 2.479 ( 0.450 -2.199 -2.686) 3.500 2.502 ( -5.625 -8.094 -9.481) 13.676 2.620 ( 6.219 -1.471 2.402) 6.827 2.714 ( 8.652 0.060 -4.782) 9.885 2.991 ( -6.390 -2.207 10.105) 12.158 3.122 ( 0.219 4.846 7.234) 8.709 3.253 ( -5.009 -4.038 2.823) 7.026 3.264 ( -7.817 1.908 4.778) 9.358 3.426 ( 2.203 5.980 3.844) 7.442 3.587 ( -8.498 -4.393 -5.708) 11.139 3.661 ( -0.979 0.596 -2.768) 2.995 3.864 ( 2.050 4.428 0.605) 4.917 4.040 ( -6.569 -3.281 1.378) 7.471 4.184 ( 3.125 0.296 -0.571) 3.190 4.212 ( 6.486 -4.028 3.320) 8.325 4.470 ( 1.154 -0.267 -4.124) 4.290 4.551 ( 1.516 5.802 5.928) 8.433 4.706 ( -3.535 6.528 -2.833) 7.946 4.906 ( -2.054 -3.248 1.412) 4.094 5.094 ( 3.061 -2.192 6.580) 7.581 5.164 ( 3.119 -3.402 4.178) 6.226 5.311 ( 6.489 -4.518 -2.746) 8.370 5.503 ( -2.119 1.836 3.074) 4.161 5.600 ( 3.687 -1.899 3.336) 5.323 5.681 ( 2.061 2.722 -0.848) 3.518 5.840 ( -0.584 -1.578 -2.628) 3.121 6.041 ( 2.497 3.462 5.056) 6.617 6.302 ( 4.383 0.552 6.774) 8.087 6.510 ( -9.401 1.738 -2.416) 9.861 6.643 ( -4.904 -1.212 -4.132) 6.526 6.937 ( 0.174 -3.649 -4.785) 6.020 7.152 ( 3.448 0.350 -8.978) 9.624 7.391 ( 4.093 1.680 1.037) 4.544 7.454 ( -4.775 0.281 -2.566) 5.428 7.789 ( 3.386 0.754 1.672) 3.851 7.939 ( 1.239 0.222 -3.882) 4.081======================= Grid point 219 (94/196) =======================q-point: (-0.30 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 350Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.829 ( -5.412 14.594 5.646) 16.557 1.206 ( -6.895 6.846 4.666) 10.778 1.570 ( 5.883 0.101 -2.192) 6.279 1.644 ( -19.683 1.804 2.458) 19.918 2.052 ( -2.856 -6.400 5.413) 8.855 2.212 ( -6.851 3.147 0.599) 7.563 2.394 ( -1.978 -3.405 -3.359) 5.176 2.561 ( -0.604 -8.676 2.526) 9.057 2.712 ( -9.209 -0.494 10.818) 14.216 2.813 ( -1.587 -0.954 3.936) 4.350 2.823 ( -2.012 -0.918 -3.578) 4.206 3.084 ( 1.090 6.003 2.377) 6.548 3.190 ( -5.714 -5.914 3.025) 8.763 3.199 ( -0.120 2.948 5.205) 5.983 3.427 ( -0.985 3.562 4.105) 5.524 3.491 ( -2.159 -4.057 -5.468) 7.143 3.572 ( -5.945 3.587 -0.848) 6.995 3.881 ( 2.253 5.084 2.447) 6.075 4.003 ( 0.164 -5.924 -2.136) 6.299 4.175 ( -1.496 2.974 -5.658) 6.564 4.326 ( 4.151 -0.928 4.722) 6.356 4.533 ( 1.323 2.798 3.393) 4.592 4.564 ( 5.167 1.014 2.115) 5.674 4.648 ( 0.900 2.910 -2.634) 4.027 4.872 ( -2.490 -0.947 1.389) 3.005 5.156 ( 0.691 -3.398 6.194) 7.098 5.237 ( 1.761 -4.651 1.864) 5.312 5.409 ( -0.335 -2.034 -1.622) 2.623 5.501 ( 3.768 -2.205 -3.457) 5.568 5.630 ( -0.264 -0.703 -1.493) 1.671 5.730 ( 2.900 1.913 1.998) 4.008 5.842 ( 1.440 -0.492 0.279) 1.547 6.074 ( 1.197 1.370 3.424) 3.878 6.319 ( -6.481 2.219 -4.128) 7.998 6.376 ( 0.466 0.626 9.772) 9.803 6.555 ( -4.553 -1.552 -3.511) 5.955 6.962 ( 0.669 -5.250 -4.430) 6.902 7.198 ( 3.525 4.472 -8.908) 10.573 7.371 ( -2.829 0.271 -3.065) 4.180 7.486 ( 5.712 -0.116 3.579) 6.742 7.848 ( 3.183 0.798 1.546) 3.628 7.961 ( 2.223 2.035 -4.787) 5.657======================= Grid point 220 (95/196) =======================q-point: (-0.20 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 352Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.684 ( -1.502 15.979 10.268) 19.053 1.067 ( -5.876 4.500 12.122) 14.203 1.315 ( -13.208 0.555 8.913) 15.944 1.666 ( 3.234 -0.455 -0.665) 3.332 1.951 ( -8.521 -5.721 -0.328) 10.268 2.146 ( -0.898 2.805 -1.849) 3.478 2.284 ( -23.402 0.009 20.413) 31.054 2.401 ( -1.265 -0.469 -5.487) 5.651 2.643 ( -9.556 -2.191 1.136) 9.869 2.726 ( -1.653 -5.923 2.661) 6.700 2.813 ( -1.251 0.970 2.327) 2.814 3.015 ( -9.832 2.044 8.181) 12.953 3.177 ( 4.432 1.064 -1.922) 4.947 3.179 ( -2.590 -2.026 -0.943) 3.421 3.392 ( -1.907 0.758 -0.470) 2.105 3.439 ( -2.794 2.131 -0.747) 3.592 3.582 ( 7.402 -0.130 -0.894) 7.457 3.900 ( 2.058 2.178 3.957) 4.963 4.032 ( -0.037 0.136 -7.867) 7.868 4.150 ( 0.767 0.204 -3.539) 3.627 4.396 ( 3.090 0.187 6.287) 7.008 4.546 ( 0.414 -1.398 1.728) 2.261 4.604 ( 2.222 4.300 1.268) 5.004 4.743 ( 7.324 -0.749 0.120) 7.363 4.839 ( -1.807 -0.643 4.156) 4.577 5.148 ( -3.518 -1.697 4.402) 5.885 5.257 ( -4.429 -6.820 -1.264) 8.229 5.372 ( -1.254 3.134 -6.941) 7.718 5.559 ( -0.479 -6.852 -0.013) 6.869 5.632 ( -0.269 -2.444 -5.511) 6.035 5.747 ( 1.375 5.647 0.144) 5.814 5.904 ( 2.934 -0.414 3.647) 4.699 6.050 ( -2.986 0.593 -0.313) 3.060 6.229 ( 0.194 1.950 2.173) 2.926 6.393 ( -0.039 -0.226 7.028) 7.032 6.505 ( -1.264 -1.550 -1.358) 2.418 7.005 ( 0.704 -6.649 -3.544) 7.567 7.207 ( 1.450 6.105 -10.578) 12.299 7.352 ( 1.585 0.552 -0.413) 1.729 7.608 ( 6.256 -2.762 4.073) 7.960 7.894 ( 2.040 0.849 1.135) 2.484 7.984 ( 2.741 5.407 -5.625) 8.270======================= Grid point 221 (96/196) =======================q-point: (-0.10 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 350Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.665 ( 5.246 6.416 17.545) 19.404 0.998 ( 1.080 3.206 21.316) 21.583 1.238 ( 3.239 -0.590 13.536) 13.931 1.677 ( -1.457 -0.768 5.914) 6.139 1.851 ( -22.954 2.332 25.782) 34.598 1.894 ( -0.576 -3.749 -3.915) 5.451 2.079 ( -4.767 2.428 -7.581) 9.278 2.324 ( -8.158 0.053 -4.926) 9.530 2.465 ( -8.792 -0.278 -2.552) 9.159 2.684 ( -5.313 -2.980 7.339) 9.538 2.733 ( -4.422 0.521 2.443) 5.079 2.969 ( 0.415 0.192 0.646) 0.791 3.146 ( -0.196 -1.949 1.299) 2.350 3.195 ( -0.276 1.834 -3.793) 4.222 3.357 ( -0.871 -0.045 0.984) 1.315 3.414 ( 1.364 2.099 -3.828) 4.574 3.746 ( 8.964 -0.329 0.996) 9.025 3.947 ( 1.807 -0.638 5.229) 5.569 3.996 ( -1.165 2.435 -5.107) 5.777 4.160 ( 0.525 -0.378 -3.058) 3.125 4.438 ( -1.687 -1.087 4.915) 5.309 4.541 ( 1.270 -0.725 -2.096) 2.556 4.660 ( 2.783 1.911 1.775) 3.814 4.819 ( -1.231 -0.511 6.917) 7.045 4.853 ( 3.172 -0.780 -0.244) 3.275 5.077 ( -4.830 -0.054 1.078) 4.949 5.133 ( -7.351 -1.634 0.630) 7.557 5.358 ( -0.324 -2.545 -3.743) 4.538 5.577 ( -0.659 0.689 0.047) 0.955 5.632 ( -0.814 -8.159 -4.131) 9.182 5.716 ( -0.984 7.696 -1.881) 7.983 5.848 ( -7.335 0.816 -1.937) 7.630 6.049 ( 1.184 -0.980 4.507) 4.762 6.292 ( 4.218 0.539 1.899) 4.657 6.410 ( 2.882 -0.287 7.377) 7.925 6.521 ( 2.483 -0.648 -1.244) 2.852 7.028 ( -1.893 -4.514 -2.444) 5.471 7.185 ( 0.936 3.250 -14.236) 14.633 7.423 ( 5.998 0.640 3.250) 6.852 7.740 ( 4.589 -6.396 1.509) 8.015 7.913 ( 0.359 0.352 0.458) 0.680 7.985 ( 1.812 8.986 -5.426) 10.652======================= Grid point 223 (97/196) =======================q-point: ( 0.10 0.10 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 195Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.011 ( 4.004 0.000 8.032) 8.975 1.314 ( 14.823 0.000 15.970) 21.789 1.597 ( 2.963 0.000 5.093) 5.892 1.704 ( -9.000 -0.000 -4.801) 10.200 1.889 ( -1.329 -0.000 2.603) 2.923 2.054 ( 8.271 0.000 -1.945) 8.496 2.098 ( 0.087 0.000 -9.263) 9.263 2.324 ( 5.493 0.000 -1.706) 5.752 2.392 ( 23.327 0.000 21.955) 32.034 2.806 ( 12.545 0.000 3.128) 12.929 3.000 ( 2.419 0.000 1.597) 2.898 3.026 ( 15.043 0.000 3.243) 15.389 3.123 ( -9.111 -0.000 1.908) 9.308 3.416 ( 0.991 0.000 -2.821) 2.990 3.446 ( 3.319 0.000 4.887) 5.907 3.594 ( 2.766 0.000 -0.413) 2.797 3.756 ( -0.628 -0.000 -12.556) 12.572 3.769 ( -6.417 -0.000 -0.979) 6.491 3.991 ( -0.335 -0.000 5.555) 5.565 4.064 ( -6.993 -0.000 -2.541) 7.440 4.275 ( -2.463 -0.000 0.813) 2.594 4.445 ( 3.822 0.000 5.122) 6.391 4.598 ( -0.508 -0.000 9.041) 9.055 4.693 ( -2.717 -0.000 -2.934) 3.999 4.774 ( -2.018 -0.000 0.543) 2.090 5.061 ( -0.438 -0.000 6.879) 6.893 5.236 ( -2.877 -0.000 2.598) 3.877 5.344 ( -0.787 -0.000 3.835) 3.915 5.484 ( 2.850 0.000 2.524) 3.807 5.509 ( -0.288 -0.000 -1.697) 1.722 5.568 ( 0.468 0.000 -4.868) 4.890 5.810 ( -1.425 -0.000 -2.775) 3.120 5.929 ( 1.490 0.000 6.640) 6.805 6.143 ( -4.558 -0.000 -1.420) 4.774 6.763 ( 2.564 0.000 -2.954) 3.912 6.840 ( 2.943 0.000 -0.139) 2.946 6.852 ( -1.681 -0.000 -4.631) 4.927 7.216 ( 0.468 0.000 -10.465) 10.476 7.558 ( -9.391 -0.000 -1.371) 9.490 7.709 ( 1.180 0.000 1.145) 1.644 7.761 ( -2.761 -0.000 -0.304) 2.778 7.929 ( -0.805 -0.000 -1.388) 1.604======================= Grid point 224 (98/196) =======================q-point: ( 0.20 0.10 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 350Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.116 ( 5.691 -0.167 0.481) 5.713 1.506 ( -9.699 -1.729 -5.596) 11.330 1.615 ( 14.119 -0.541 13.966) 19.867 1.665 ( 1.513 -1.920 -1.985) 3.149 1.861 ( 2.988 3.324 4.481) 6.330 2.153 ( 5.895 2.262 -3.833) 7.387 2.213 ( 7.739 -3.936 -0.933) 8.732 2.408 ( 1.568 -0.246 0.912) 1.831 2.771 ( 12.683 2.322 11.317) 17.156 2.869 ( -4.406 0.019 5.422) 6.986 2.951 ( -0.353 0.513 0.597) 0.863 3.195 ( 9.666 2.185 -0.306) 9.915 3.237 ( 4.255 -3.054 2.803) 5.941 3.351 ( -5.398 -0.863 5.111) 7.484 3.482 ( 2.371 4.371 -0.922) 5.057 3.553 ( -1.279 -1.639 -3.717) 4.259 3.765 ( 2.609 1.260 -6.184) 6.829 3.787 ( 4.260 -0.404 -1.502) 4.535 3.936 ( -6.231 0.325 -1.603) 6.442 3.998 ( -1.852 -2.610 1.685) 3.616 4.283 ( 3.654 -0.909 5.944) 7.036 4.439 ( -4.580 -0.781 2.296) 5.182 4.644 ( -1.811 1.463 -1.547) 2.795 4.663 ( 5.798 0.129 9.042) 10.742 4.766 ( 1.220 -0.855 1.098) 1.850 5.061 ( -0.389 -0.563 6.882) 6.916 5.179 ( -3.363 0.257 2.809) 4.389 5.240 ( -7.286 -0.655 -5.450) 9.122 5.476 ( 0.651 8.987 -0.904) 9.055 5.575 ( 0.031 -6.207 -0.719) 6.249 5.638 ( 7.176 -0.837 8.484) 11.143 5.786 ( -0.761 0.925 -3.280) 3.492 5.977 ( 2.981 0.927 6.044) 6.803 6.079 ( -1.832 -0.210 -1.196) 2.198 6.783 ( 0.135 0.539 -2.802) 2.856 6.839 ( 0.686 0.695 -5.000) 5.095 6.849 ( -1.533 -1.215 -0.483) 2.014 7.190 ( -2.633 0.780 -7.361) 7.856 7.416 ( -5.098 -0.220 -3.502) 6.189 7.697 ( -1.813 1.069 -0.441) 2.150 7.727 ( -1.319 -0.840 0.169) 1.573 7.920 ( -0.788 -1.871 -1.533) 2.544======================= Grid point 225 (99/196) =======================q-point: ( 0.30 0.10 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 350Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.201 ( 3.681 1.003 0.453) 3.842 1.345 ( -7.917 -2.801 -2.678) 8.815 1.645 ( -1.929 -2.450 -2.651) 4.093 1.881 ( 10.830 -0.674 10.858) 15.350 2.009 ( 11.608 2.312 2.708) 12.141 2.251 ( 4.192 3.823 1.934) 5.994 2.287 ( -0.409 1.081 0.740) 1.373 2.427 ( 2.506 -6.426 -3.785) 7.868 2.762 ( -5.274 8.759 -2.415) 10.506 2.872 ( 4.396 4.955 3.040) 7.289 2.920 ( -8.659 -5.522 -3.652) 10.900 3.202 ( -2.096 -1.824 13.006) 13.300 3.308 ( 1.591 -1.524 2.425) 3.276 3.375 ( 0.674 -2.877 6.658) 7.285 3.487 ( 1.633 5.452 -4.084) 7.005 3.604 ( 2.826 -0.865 -1.982) 3.559 3.795 ( 1.341 -2.537 -0.820) 2.984 3.854 ( 0.964 0.397 -9.536) 9.593 3.890 ( 3.494 3.171 0.083) 4.720 3.952 ( -1.345 -2.919 5.951) 6.763 4.324 ( -8.274 -1.783 1.016) 8.525 4.409 ( 6.878 -1.306 7.564) 10.307 4.604 ( -1.204 2.858 -0.846) 3.215 4.768 ( 3.161 -1.761 8.486) 9.225 4.838 ( 6.202 0.557 1.138) 6.330 5.059 ( -3.147 -1.906 3.941) 5.391 5.090 ( -3.495 2.054 -3.196) 5.162 5.159 ( -1.540 -1.921 1.480) 2.873 5.455 ( 1.881 6.196 0.189) 6.478 5.580 ( -1.968 -4.229 -0.252) 4.671 5.755 ( -0.341 1.579 -1.191) 2.007 5.765 ( 3.511 0.212 5.501) 6.530 6.028 ( 2.624 2.450 5.739) 6.769 6.097 ( 3.840 -0.463 1.870) 4.296 6.760 ( -1.994 0.069 -2.612) 3.286 6.787 ( -4.750 -1.112 -0.373) 4.893 6.880 ( 3.661 1.166 -5.817) 6.971 7.105 ( -5.219 -2.382 -7.912) 9.773 7.369 ( -0.081 1.427 -2.576) 2.946 7.640 ( -4.098 -0.153 -2.033) 4.577 7.719 ( 0.459 0.219 0.764) 0.918 7.916 ( -0.319 -1.285 -2.256) 2.616======================= Grid point 226 (100/196) =======================q-point: ( 0.40 0.10 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 350Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.200 ( -3.199 4.962 1.704) 6.145 1.296 ( 2.803 -0.801 0.250) 2.926 1.626 ( -2.629 -2.758 1.805) 4.216 1.970 ( -1.741 0.145 6.551) 6.780 2.174 ( 3.974 1.902 -0.303) 4.417 2.253 ( 4.111 -0.308 3.666) 5.517 2.374 ( 3.496 1.813 -0.982) 4.059 2.506 ( 5.267 -0.717 -5.756) 7.835 2.588 ( -5.676 1.645 -1.857) 6.195 2.727 ( -12.660 -4.963 -5.903) 14.824 2.989 ( 7.998 7.551 5.967) 12.514 3.169 ( -3.239 -1.969 8.080) 8.924 3.285 ( -5.311 -4.753 5.341) 8.906 3.365 ( -3.696 -1.488 8.183) 9.102 3.487 ( 0.775 4.099 0.383) 4.190 3.636 ( 2.283 -0.178 -4.702) 5.230 3.705 ( -8.586 -0.770 -7.584) 11.481 3.912 ( 1.622 4.874 1.185) 5.271 3.985 ( 9.439 -4.320 -0.327) 10.386 4.043 ( 5.708 -1.897 4.830) 7.714 4.173 ( -8.618 -2.415 0.667) 8.975 4.503 ( 1.176 1.462 2.858) 3.419 4.581 ( 1.603 3.673 2.164) 4.555 4.825 ( 1.186 -3.572 4.873) 6.157 4.894 ( -2.813 4.592 -1.550) 5.603 5.008 ( 2.925 -1.637 0.839) 3.455 5.085 ( 0.040 -1.723 4.931) 5.223 5.178 ( 2.161 -2.187 -0.363) 3.096 5.492 ( 3.986 0.800 2.080) 4.566 5.556 ( -1.950 -0.539 3.070) 3.676 5.720 ( -0.755 2.576 -3.741) 4.604 5.815 ( 0.589 -1.523 2.450) 2.944 6.061 ( 2.327 4.118 5.234) 7.054 6.202 ( 6.087 -0.173 5.820) 8.424 6.682 ( -6.898 0.103 -1.706) 7.107 6.709 ( -3.665 -0.836 -3.497) 5.135 6.915 ( 0.474 1.569 -5.577) 5.812 7.067 ( 1.193 -4.908 -7.964) 9.431 7.375 ( 1.898 2.506 -0.919) 3.275 7.551 ( -5.288 -0.420 -3.091) 6.139 7.745 ( 2.365 0.656 1.355) 2.803 7.920 ( 0.604 -0.617 -3.122) 3.240======================= Grid point 227 (101/196) =======================q-point: (-0.50 0.10 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 350Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.107 ( -2.297 11.280 4.304) 12.290 1.367 ( 3.377 2.605 0.226) 4.271 1.555 ( -3.913 2.930 2.760) 5.614 1.938 ( -4.877 -6.040 6.092) 9.868 2.047 ( -11.113 4.802 -1.192) 12.165 2.328 ( 1.655 1.440 6.232) 6.607 2.392 ( -5.183 -9.805 -7.769) 13.540 2.477 ( -5.726 -0.654 -5.363) 7.872 2.604 ( 5.030 -1.541 2.790) 5.955 2.708 ( 9.595 -0.987 -5.932) 11.324 2.977 ( -8.374 -0.530 11.483) 14.222 3.149 ( -1.812 -1.252 1.899) 2.908 3.240 ( -1.110 3.037 5.621) 6.484 3.279 ( -5.410 0.942 8.182) 9.854 3.478 ( 0.785 2.932 1.603) 3.433 3.550 ( -7.821 -1.731 -4.584) 9.229 3.665 ( 0.237 0.239 -3.768) 3.783 3.908 ( 1.302 3.399 -0.216) 3.646 4.009 ( -7.436 -2.122 4.581) 8.988 4.169 ( 5.213 -2.677 -0.734) 5.906 4.185 ( 7.207 -1.395 2.627) 7.797 4.483 ( 0.378 2.439 -3.264) 4.092 4.607 ( 2.117 4.596 5.453) 7.440 4.769 ( -5.115 5.113 -1.712) 7.432 4.868 ( -0.295 -3.822 2.630) 4.649 5.075 ( 1.714 -1.371 5.827) 6.226 5.128 ( 2.875 -3.046 2.420) 4.837 5.257 ( 4.070 -5.459 -2.571) 7.278 5.522 ( -0.880 1.557 -0.194) 1.799 5.581 ( 3.547 -1.476 5.301) 6.547 5.708 ( 1.504 2.289 -0.937) 2.895 5.819 ( -0.911 -2.276 -1.067) 2.674 6.082 ( 1.836 3.918 4.143) 5.990 6.307 ( 4.376 0.358 6.296) 7.676 6.531 ( -8.429 2.234 -1.964) 8.938 6.629 ( -5.292 -1.469 -4.186) 6.905 6.900 ( -0.982 -3.028 -5.375) 6.247 7.153 ( 5.971 -0.189 -6.888) 9.118 7.409 ( 2.867 1.655 -0.382) 3.332 7.456 ( -4.371 0.009 -2.644) 5.108 7.797 ( 3.445 0.811 1.725) 3.937 7.941 ( 1.990 0.225 -4.203) 4.656======================= Grid point 228 (102/196) =======================q-point: (-0.40 0.10 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 350Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.005 ( -0.918 18.056 6.986) 19.382 1.293 ( -6.477 9.213 3.577) 11.816 1.569 ( 3.960 -0.567 -0.151) 4.004 1.669 ( -18.587 3.052 0.538) 18.843 1.978 ( -4.917 -7.459 7.344) 11.565 2.220 ( -8.030 -4.034 -1.861) 9.177 2.355 ( -0.359 -1.867 -0.374) 1.937 2.487 ( 1.063 -4.981 -3.728) 6.312 2.700 ( -7.743 -1.709 10.479) 13.141 2.787 ( -2.075 -2.947 0.268) 3.614 2.817 ( -2.893 -0.834 1.780) 3.498 3.115 ( -3.551 -5.307 1.371) 6.531 3.170 ( -0.562 6.669 2.806) 7.257 3.235 ( -0.898 4.019 7.399) 8.467 3.424 ( -5.882 -3.568 -5.173) 8.608 3.488 ( 0.656 3.074 3.989) 5.079 3.610 ( -4.444 3.207 -0.122) 5.481 3.938 ( 0.896 4.733 3.803) 6.137 3.950 ( 2.616 -3.264 -1.374) 4.403 4.192 ( -1.326 0.271 -5.194) 5.368 4.317 ( 5.138 -0.792 3.937) 6.521 4.531 ( 3.948 -0.646 -0.336) 4.014 4.617 ( 1.836 5.928 6.072) 8.682 4.677 ( -1.152 2.586 -2.250) 3.616 4.860 ( -1.882 -1.098 1.777) 2.811 5.115 ( 0.240 -4.011 6.068) 7.278 5.187 ( 0.525 -4.616 1.690) 4.944 5.356 ( 2.903 -7.139 -3.349) 8.403 5.500 ( -0.731 1.430 -5.480) 5.710 5.621 ( 0.028 -0.920 1.269) 1.567 5.749 ( 3.192 1.588 2.327) 4.257 5.832 ( 2.126 -1.277 0.502) 2.531 6.091 ( 0.277 1.882 2.248) 2.945 6.343 ( -3.600 2.192 -3.540) 5.504 6.387 ( -2.016 1.648 8.596) 8.982 6.535 ( -5.055 -2.190 -3.388) 6.467 6.908 ( 0.061 -4.746 -5.094) 6.963 7.243 ( 5.180 3.988 -6.219) 9.023 7.375 ( -2.767 0.341 -3.469) 4.451 7.483 ( 4.378 -0.463 2.414) 5.021 7.858 ( 3.363 1.053 1.807) 3.960 7.985 ( 4.104 2.352 -5.959) 7.608======================= Grid point 229 (103/196) =======================q-point: (-0.30 0.10 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 350Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.895 ( -0.547 22.640 6.136) 23.463 1.133 ( -5.504 7.905 11.509) 15.008 1.324 ( -14.280 1.105 10.012) 17.475 1.659 ( 2.965 -1.018 -0.686) 3.210 1.872 ( -8.966 -8.734 1.349) 12.589 2.175 ( -1.225 1.069 2.382) 2.884 2.281 ( -16.743 0.029 11.157) 20.120 2.399 ( -4.106 0.312 -1.315) 4.323 2.589 ( -3.227 -7.302 1.654) 8.153 2.684 ( -8.447 -2.077 -0.244) 8.702 2.812 ( -1.946 -0.764 1.978) 2.878 3.044 ( -5.911 2.327 7.240) 9.632 3.125 ( -4.998 -4.144 -1.254) 6.613 3.220 ( 2.761 4.269 -1.322) 5.253 3.404 ( 1.564 -0.145 -1.771) 2.367 3.452 ( -3.539 1.805 2.217) 4.549 3.589 ( 5.479 1.204 1.935) 5.934 3.930 ( 0.387 3.291 2.551) 4.182 4.035 ( 4.382 0.537 -3.628) 5.714 4.155 ( -1.485 0.594 -4.422) 4.702 4.397 ( 3.054 -0.011 4.120) 5.129 4.532 ( -2.088 -1.142 1.224) 2.677 4.654 ( 3.228 4.728 2.569) 6.276 4.733 ( 6.478 -1.030 0.110) 6.560 4.831 ( -1.861 -0.616 4.638) 5.035 5.118 ( -2.882 -4.135 4.024) 6.449 5.184 ( -4.500 -6.173 1.634) 7.812 5.402 ( -1.692 2.498 -10.389) 10.819 5.469 ( -0.883 -9.489 -4.208) 10.418 5.618 ( -0.840 -0.548 0.048) 1.004 5.799 ( 3.013 3.939 1.697) 5.241 5.897 ( 2.890 -0.952 2.989) 4.265 6.058 ( -3.552 0.737 -1.532) 3.938 6.256 ( -0.311 3.116 0.957) 3.275 6.390 ( -0.334 -0.303 6.784) 6.799 6.483 ( -1.448 -2.653 -0.804) 3.127 6.937 ( 0.328 -5.949 -5.144) 7.871 7.268 ( 0.575 5.045 -8.708) 10.081 7.361 ( 2.553 1.321 0.688) 2.956 7.576 ( 4.009 -3.209 3.626) 6.286 7.906 ( 2.261 1.404 1.524) 3.067 8.052 ( 6.231 6.780 -8.395) 12.461======================= Grid point 230 (104/196) =======================q-point: (-0.20 0.10 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 350Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.780 ( 0.703 13.975 10.946) 17.765 1.062 ( 1.428 8.586 20.611) 22.373 1.231 ( 2.741 -0.272 15.556) 15.798 1.664 ( -3.078 -1.519 7.568) 8.309 1.825 ( -1.682 -8.573 -2.781) 9.169 1.895 ( -18.689 5.383 23.154) 30.239 2.120 ( -3.870 4.867 -7.895) 10.049 2.326 ( -7.339 0.467 -4.998) 8.891 2.459 ( -9.560 -0.826 -2.422) 9.897 2.629 ( -2.661 -7.254 7.661) 10.881 2.741 ( -4.408 0.960 2.260) 5.046 2.973 ( -2.064 0.353 -0.519) 2.158 3.119 ( 3.195 -2.767 1.320) 4.428 3.221 ( -0.905 2.700 -3.572) 4.569 3.368 ( -2.054 2.093 2.487) 3.845 3.440 ( 1.330 2.108 -4.005) 4.718 3.737 ( 8.564 -1.573 2.330) 9.013 3.947 ( 1.846 1.029 4.121) 4.631 4.034 ( -2.099 4.412 -4.220) 6.456 4.153 ( 1.531 -0.840 -2.750) 3.257 4.421 ( -2.174 -1.888 4.919) 5.700 4.527 ( 1.214 -2.000 -2.022) 3.092 4.692 ( 1.695 3.586 0.815) 4.049 4.808 ( -1.816 -1.530 7.673) 8.032 4.838 ( 2.849 -1.794 0.057) 3.367 5.075 ( -4.866 -0.173 0.660) 4.914 5.094 ( -4.765 -5.694 3.620) 8.260 5.327 ( -2.791 -2.323 -5.596) 6.670 5.542 ( 1.498 -8.116 -3.789) 9.081 5.588 ( -1.606 0.569 0.688) 1.837 5.792 ( -1.352 6.635 -0.672) 6.804 5.861 ( -6.145 1.525 -3.993) 7.486 6.031 ( 0.420 -2.442 4.296) 4.960 6.302 ( 3.693 1.257 1.019) 4.032 6.404 ( 2.674 -0.726 7.114) 7.634 6.508 ( 2.865 -1.737 -0.063) 3.351 6.964 ( -0.819 -6.532 -5.204) 8.392 7.226 ( -0.854 3.706 -10.864) 11.511 7.436 ( 5.795 1.726 3.374) 6.924 7.662 ( 1.961 -7.047 3.518) 8.117 7.924 ( 0.295 1.510 0.710) 1.695 8.107 ( 5.570 12.360 -10.384) 17.077======================= Grid point 231 (105/196) =======================q-point: (-0.10 0.10 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 350Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.848 ( 9.401 5.650 18.622) 21.612 1.099 ( -1.066 2.765 20.473) 20.687 1.375 ( 7.972 -3.560 13.816) 16.343 1.614 ( 3.329 2.323 24.612) 24.944 1.743 ( 4.094 4.850 9.601) 11.509 1.854 ( -0.659 -4.951 -1.288) 5.158 2.001 ( -4.892 5.676 -6.562) 9.960 2.197 ( -2.277 -0.613 -1.008) 2.565 2.304 ( -7.602 -2.098 -8.440) 11.551 2.619 ( -0.390 1.065 9.064) 9.134 2.685 ( -2.399 0.035 -4.304) 4.928 2.916 ( -2.241 0.829 -1.702) 2.934 3.219 ( 3.500 -0.256 -0.021) 3.509 3.232 ( 6.518 0.025 3.917) 7.605 3.348 ( -0.646 -1.501 -0.666) 1.765 3.461 ( 2.747 2.568 -2.804) 4.691 3.868 ( 3.776 -0.178 1.097) 3.936 3.914 ( -5.573 -0.210 -1.516) 5.780 4.000 ( 1.139 0.520 1.274) 1.786 4.215 ( 5.107 0.781 4.408) 6.791 4.346 ( -6.029 -0.611 -1.535) 6.252 4.572 ( -3.761 -1.866 -0.408) 4.218 4.603 ( -4.620 0.786 0.327) 4.698 4.799 ( -1.236 -2.570 5.948) 6.596 4.832 ( -3.200 0.195 -0.812) 3.307 5.036 ( 1.785 -0.412 4.476) 4.837 5.120 ( 3.626 0.102 8.011) 8.794 5.312 ( -1.390 -4.863 -2.564) 5.671 5.502 ( -5.582 -6.267 -2.886) 8.875 5.629 ( 0.746 -0.495 -0.371) 0.969 5.674 ( -4.408 6.134 -6.307) 9.841 5.782 ( -0.693 2.377 -0.219) 2.485 6.022 ( -3.658 -2.135 4.944) 6.510 6.300 ( -2.426 0.650 0.501) 2.561 6.548 ( 9.619 -1.683 3.200) 10.276 6.598 ( 6.033 -0.155 -0.254) 6.040 6.954 ( -2.868 -4.032 -4.138) 6.450 7.197 ( 0.566 0.964 -13.444) 13.491 7.548 ( 6.156 0.144 4.394) 7.564 7.721 ( -0.866 -9.664 1.752) 9.859 7.899 ( -2.362 1.012 -0.410) 2.603 8.078 ( 0.119 15.586 -9.324) 18.162======================= Grid point 234 (106/196) =======================q-point: ( 0.20 0.20 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.207 ( 4.337 0.000 -0.515) 4.367 1.330 ( -7.176 -0.000 -2.032) 7.458 1.631 ( -2.483 -0.000 -2.938) 3.847 1.878 ( 11.463 0.000 11.030) 15.908 2.022 ( 10.763 0.000 2.625) 11.079 2.274 ( -3.311 -0.000 6.893) 7.647 2.298 ( 9.088 0.000 -3.151) 9.618 2.384 ( 1.268 0.000 -4.610) 4.781 2.846 ( -7.121 -0.000 -3.121) 7.775 2.855 ( -7.468 -0.000 -2.246) 7.799 2.900 ( 5.035 0.000 2.142) 5.472 3.191 ( -2.201 -0.000 13.975) 14.147 3.300 ( 0.225 0.000 1.129) 1.151 3.358 ( 1.041 0.000 7.078) 7.154 3.521 ( -0.108 -0.000 -4.748) 4.749 3.595 ( 4.746 0.000 -2.401) 5.319 3.782 ( 2.668 0.000 0.350) 2.691 3.855 ( -1.090 -0.000 -10.585) 10.641 3.918 ( 3.055 0.000 -1.955) 3.627 3.927 ( -0.277 -0.000 9.039) 9.043 4.314 ( -8.427 -0.000 0.753) 8.461 4.401 ( 7.340 0.000 7.531) 10.517 4.620 ( -1.033 -0.000 -1.519) 1.837 4.758 ( 2.435 0.000 8.527) 8.868 4.842 ( 7.252 0.000 1.481) 7.402 5.047 ( -2.876 -0.000 5.782) 6.458 5.105 ( -4.936 -0.000 -5.842) 7.648 5.146 ( -0.722 -0.000 2.950) 3.037 5.519 ( 0.602 0.000 3.618) 3.667 5.526 ( -1.344 -0.000 -4.797) 4.982 5.760 ( 4.063 0.000 9.367) 10.211 5.771 ( -1.089 -0.000 -4.087) 4.229 6.043 ( 3.222 0.000 5.216) 6.131 6.093 ( 3.605 0.000 2.374) 4.317 6.761 ( -2.362 -0.000 -2.450) 3.403 6.780 ( -4.651 -0.000 -0.030) 4.651 6.890 ( 4.675 0.000 -6.267) 7.819 7.090 ( -6.631 -0.000 -8.013) 10.401 7.377 ( 0.288 0.000 -2.519) 2.536 7.639 ( -4.344 -0.000 -2.250) 4.892 7.720 ( 0.673 0.000 0.928) 1.146 7.909 ( 0.064 0.000 -2.160) 2.161======================= Grid point 235 (107/196) =======================q-point: ( 0.30 0.20 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 350Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.245 ( -1.228 2.889 2.576) 4.061 1.290 ( 4.642 -0.334 0.440) 4.675 1.594 ( -2.271 -2.269 1.071) 3.385 1.974 ( -2.723 0.297 6.260) 6.834 2.189 ( 5.633 0.727 -1.440) 5.859 2.249 ( 3.359 -0.261 3.982) 5.216 2.394 ( -0.948 1.437 0.884) 1.935 2.492 ( 10.690 -1.234 -5.747) 12.199 2.621 ( -10.240 4.183 -4.403) 11.905 2.674 ( -11.900 -4.914 -4.154) 13.528 3.064 ( 8.803 5.860 4.272) 11.405 3.141 ( -4.089 -3.192 9.771) 11.063 3.244 ( -5.286 -2.375 4.525) 7.352 3.352 ( -3.047 -0.765 9.124) 9.650 3.515 ( -0.313 1.185 -1.971) 2.321 3.634 ( 2.071 -0.076 -5.540) 5.915 3.712 ( -9.016 1.174 -5.651) 10.706 3.935 ( 9.158 -2.435 5.492) 10.953 3.958 ( 1.442 1.866 -2.263) 3.268 4.028 ( 6.366 -0.932 3.755) 7.449 4.158 ( -7.690 -0.659 0.262) 7.723 4.514 ( 3.027 0.487 3.698) 4.804 4.609 ( 1.061 1.547 0.462) 1.932 4.796 ( 1.057 -1.529 6.166) 6.440 4.934 ( -5.295 2.515 -0.280) 5.868 4.989 ( 5.646 -1.563 1.310) 6.003 5.077 ( 0.029 -0.033 1.688) 1.688 5.156 ( 1.042 -1.426 1.111) 2.087 5.505 ( 1.245 1.289 -2.123) 2.778 5.544 ( 0.295 -1.243 5.641) 5.783 5.741 ( -1.103 1.154 -3.860) 4.177 5.802 ( 0.073 -0.822 4.140) 4.222 6.095 ( 2.438 2.021 4.354) 5.384 6.198 ( 6.292 -0.394 6.350) 8.948 6.685 ( -5.717 0.400 -1.415) 5.903 6.699 ( -4.247 -0.959 -3.353) 5.495 6.947 ( -2.604 3.811 -7.025) 8.406 7.013 ( 4.050 -4.784 -6.599) 9.101 7.394 ( 1.727 0.962 -1.062) 2.244 7.547 ( -5.205 -0.201 -3.374) 6.206 7.750 ( 2.399 0.253 1.330) 2.755 7.916 ( 0.918 -0.241 -3.116) 3.257======================= Grid point 236 (108/196) =======================q-point: (-0.60 0.20 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 352Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.226 ( 1.722 10.388 6.174) 12.206 1.389 ( 5.639 1.443 0.075) 5.821 1.559 ( -3.409 -2.206 4.775) 6.268 1.890 ( -5.902 -2.739 5.111) 8.274 2.104 ( -11.780 5.979 -4.130) 13.841 2.287 ( -8.704 -8.756 -9.515) 15.588 2.344 ( 0.525 0.632 8.637) 8.676 2.472 ( -4.168 -0.274 -5.988) 7.300 2.589 ( 3.971 -1.078 3.010) 5.099 2.698 ( 9.624 -0.743 -5.819) 11.271 2.975 ( -10.585 -0.026 12.185) 16.141 3.122 ( -4.670 -2.455 1.178) 5.406 3.276 ( -4.099 0.846 6.907) 8.076 3.296 ( 5.196 3.750 7.071) 9.542 3.479 ( -3.747 -1.470 -6.909) 7.996 3.558 ( -4.834 1.936 4.181) 6.678 3.666 ( 0.978 0.002 -4.398) 4.505 3.926 ( -2.976 0.092 -1.044) 3.155 4.003 ( -2.627 0.832 7.435) 7.929 4.144 ( 4.742 -1.977 -0.260) 5.145 4.172 ( 7.905 -0.869 0.998) 8.015 4.513 ( -0.063 2.702 -3.597) 4.499 4.644 ( 2.198 2.300 5.726) 6.551 4.809 ( -6.067 2.381 0.963) 6.588 4.832 ( 1.090 -2.580 3.058) 4.147 5.068 ( 0.989 0.376 4.317) 4.445 5.103 ( 2.572 -1.885 0.686) 3.262 5.203 ( 2.474 -4.244 -2.277) 5.414 5.533 ( 1.072 0.368 -3.983) 4.141 5.571 ( 2.167 -0.391 8.284) 8.572 5.727 ( 0.918 1.249 -1.199) 1.960 5.797 ( -0.929 -1.639 0.365) 1.919 6.118 ( 0.968 2.649 3.218) 4.279 6.309 ( 4.522 0.027 6.306) 7.760 6.556 ( -7.274 2.437 -1.789) 7.877 6.611 ( -5.756 -1.902 -4.214) 7.383 6.876 ( -2.281 -1.528 -6.001) 6.600 7.149 ( 8.162 -0.376 -5.282) 9.729 7.424 ( 2.068 1.189 -0.702) 2.486 7.454 ( -4.227 -0.272 -3.337) 5.393 7.804 ( 3.496 0.528 1.767) 3.952 7.943 ( 2.596 0.140 -4.465) 5.167======================= Grid point 237 (109/196) =======================q-point: (-0.50 0.20 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 350Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.194 ( 2.068 17.138 9.105) 19.516 1.390 ( -4.564 8.605 2.917) 10.168 1.554 ( 1.814 -2.343 2.479) 3.863 1.709 ( -16.100 4.591 -2.690) 16.956 1.902 ( -7.631 -6.404 8.878) 13.344 2.117 ( -9.498 -13.241 -5.027) 17.053 2.372 ( 1.710 3.429 1.672) 4.181 2.453 ( 0.679 -1.828 -7.259) 7.516 2.678 ( -5.033 -2.194 9.632) 11.087 2.759 ( -4.913 -2.128 1.669) 5.608 2.808 ( -2.329 -0.845 2.982) 3.877 3.058 ( -4.346 -4.576 0.676) 6.346 3.219 ( 0.512 1.451 1.399) 2.079 3.296 ( -2.292 7.316 6.833) 10.270 3.395 ( -5.071 -1.510 -5.540) 7.661 3.517 ( -0.869 2.107 7.072) 7.430 3.634 ( -3.690 1.153 0.680) 3.926 3.920 ( 2.605 -1.447 0.817) 3.089 3.994 ( 2.639 4.536 3.119) 6.105 4.182 ( -0.944 -1.881 -4.513) 4.980 4.309 ( 5.531 -0.679 2.753) 6.216 4.533 ( 3.236 0.910 -0.922) 3.486 4.665 ( 1.106 2.877 6.990) 7.639 4.702 ( -3.332 2.129 -0.419) 3.976 4.853 ( -0.261 -0.265 1.245) 1.299 5.080 ( -0.689 -2.303 5.561) 6.058 5.144 ( 0.035 -3.416 1.081) 3.583 5.278 ( 2.598 -7.153 -3.920) 8.560 5.519 ( -1.614 1.858 -8.428) 8.780 5.611 ( 0.562 -1.041 3.688) 3.873 5.763 ( 3.153 1.062 2.927) 4.431 5.817 ( 2.751 -1.511 0.843) 3.249 6.110 ( -0.821 1.589 1.286) 2.203 6.360 ( -0.133 1.017 0.147) 1.036 6.412 ( -5.147 2.983 4.185) 7.274 6.510 ( -5.649 -2.586 -3.197) 6.987 6.866 ( -0.054 -3.228 -5.232) 6.148 7.279 ( 6.583 2.771 -4.113) 8.242 7.378 ( -2.746 0.275 -3.880) 4.761 7.477 ( 3.121 -0.628 1.297) 3.438 7.869 ( 3.540 0.896 2.045) 4.185 8.008 ( 5.721 1.779 -7.019) 9.228======================= Grid point 238 (110/196) =======================q-point: (-0.40 0.20 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 352Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.138 ( -0.388 22.776 2.675) 22.936 1.227 ( -4.684 9.489 11.009) 15.270 1.338 ( -15.776 1.651 11.172) 19.402 1.643 ( 2.503 -2.266 -1.774) 3.814 1.779 ( -9.467 -8.060 4.096) 13.091 2.126 ( -1.228 -10.354 8.111) 13.210 2.309 ( -9.003 4.976 -0.628) 10.306 2.411 ( -6.911 1.986 3.985) 8.221 2.518 ( -2.649 -5.519 -0.412) 6.136 2.665 ( -9.855 -2.063 -0.682) 10.091 2.804 ( -0.934 -0.630 2.727) 2.950 3.027 ( -0.828 -4.536 1.219) 4.769 3.129 ( -10.735 3.895 2.958) 11.797 3.260 ( 2.197 2.895 -1.623) 3.980 3.384 ( 3.430 -2.337 -2.015) 4.613 3.487 ( -3.316 3.985 4.794) 7.061 3.596 ( 2.658 -0.155 4.918) 5.592 3.966 ( 1.128 3.404 1.029) 3.731 4.048 ( 5.467 2.232 -0.296) 5.912 4.158 ( -1.878 -0.343 -3.895) 4.337 4.394 ( 3.402 -0.715 1.470) 3.775 4.524 ( -3.956 -0.258 1.509) 4.242 4.688 ( 1.689 1.156 4.977) 5.381 4.723 ( 5.412 -0.866 0.337) 5.492 4.835 ( -1.123 1.766 3.617) 4.179 5.062 ( -4.178 -5.836 3.248) 7.878 5.138 ( -2.905 -2.652 3.158) 5.044 5.364 ( 1.889 -9.117 -3.938) 10.109 5.431 ( -4.388 2.102 -14.969) 15.740 5.616 ( -0.742 -0.003 3.272) 3.355 5.829 ( 4.130 1.963 3.022) 5.481 5.887 ( 2.813 -0.857 2.517) 3.871 6.064 ( -4.170 0.318 -2.531) 4.888 6.292 ( -0.962 3.582 -0.482) 3.740 6.387 ( -0.737 -0.261 6.210) 6.259 6.452 ( -1.663 -3.190 0.100) 3.599 6.884 ( 0.273 -4.040 -5.704) 6.995 7.309 ( -1.053 2.617 -8.384) 8.846 7.381 ( 4.046 2.377 2.356) 5.251 7.544 ( 2.686 -2.683 2.793) 4.713 7.921 ( 2.497 1.426 1.967) 3.484 8.117 ( 8.821 5.397 -10.850) 14.989======================= Grid point 239 (111/196) =======================q-point: (-0.30 0.20 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 350Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.932 ( -4.315 13.877 5.415) 15.509 1.152 ( -2.794 6.147 17.837) 19.072 1.258 ( 5.837 7.478 18.205) 20.529 1.648 ( -4.341 -1.411 9.015) 10.105 1.722 ( -1.524 -10.562 -1.734) 10.812 1.956 ( -13.429 5.775 20.246) 24.972 2.173 ( -4.087 4.747 -8.111) 10.248 2.334 ( -5.062 0.785 -4.799) 7.019 2.446 ( -9.795 -1.827 -2.217) 10.207 2.543 ( -1.584 -7.975 7.370) 10.974 2.756 ( -3.438 1.895 2.646) 4.734 2.969 ( -4.642 -1.309 -1.037) 4.933 3.098 ( 6.196 -0.904 0.506) 6.282 3.250 ( -1.463 2.669 -2.916) 4.215 3.395 ( -4.071 2.747 3.910) 6.277 3.451 ( 2.402 -0.123 -3.206) 4.008 3.714 ( 7.293 -2.607 4.130) 8.777 3.969 ( 0.996 2.853 3.324) 4.492 4.081 ( -2.953 4.101 -4.013) 6.454 4.147 ( 3.871 0.132 -1.613) 4.196 4.402 ( -3.856 -1.655 4.054) 5.835 4.501 ( 1.501 -2.748 -1.725) 3.575 4.717 ( 0.745 0.202 2.206) 2.337 4.792 ( -4.363 -0.600 5.474) 7.026 4.821 ( 3.313 -1.175 1.638) 3.878 5.021 ( -3.311 -7.258 5.644) 9.772 5.075 ( -3.501 -0.042 0.411) 3.525 5.315 ( -3.581 -0.294 -7.485) 8.303 5.464 ( 2.116 -6.180 -5.258) 8.385 5.591 ( -1.555 -0.059 3.471) 3.804 5.853 ( -1.716 4.960 -0.381) 5.262 5.876 ( -4.023 1.116 -5.014) 6.524 6.002 ( -1.009 -2.920 3.566) 4.718 6.317 ( 2.714 1.467 -0.135) 3.088 6.396 ( 2.499 -0.756 6.463) 6.971 6.485 ( 3.409 -2.493 1.821) 4.599 6.902 ( -0.346 -4.924 -6.655) 8.285 7.257 ( -2.018 2.163 -8.972) 9.447 7.457 ( 5.261 2.229 3.578) 6.742 7.601 ( 1.077 -4.543 3.792) 6.015 7.942 ( 0.428 1.885 1.297) 2.328 8.226 ( 7.687 9.728 -14.291) 18.920======================= Grid point 240 (112/196) =======================q-point: (-0.20 0.20 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 352Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.932 ( 8.370 9.794 15.602) 20.234 1.130 ( -3.212 2.505 18.581) 19.022 1.339 ( 3.277 -2.587 16.750) 17.263 1.641 ( 6.931 2.100 17.000) 18.478 1.748 ( 0.172 -5.862 2.479) 6.367 1.866 ( 5.659 9.349 12.472) 16.583 2.057 ( -4.616 4.559 -8.409) 10.621 2.201 ( -4.194 1.859 -0.775) 4.653 2.275 ( -8.330 -3.117 -7.498) 11.633 2.624 ( 3.662 -1.110 8.600) 9.413 2.689 ( -1.760 1.306 -1.131) 2.466 2.927 ( -1.454 0.934 -1.882) 2.555 3.217 ( 0.957 -0.187 -1.185) 1.535 3.229 ( 6.515 -0.566 0.915) 6.603 3.334 ( -2.104 -0.776 1.162) 2.526 3.486 ( 2.665 1.512 -2.538) 3.979 3.853 ( 4.797 -2.639 3.157) 6.320 3.911 ( -6.105 -0.384 -1.678) 6.344 4.023 ( -1.354 3.726 0.080) 3.965 4.225 ( 5.398 1.007 5.069) 7.473 4.337 ( -4.291 -1.024 -1.578) 4.685 4.547 ( -0.330 -2.710 0.710) 2.821 4.611 ( -8.653 0.707 -1.594) 8.827 4.761 ( -1.588 -4.402 6.589) 8.082 4.836 ( -2.257 0.682 1.353) 2.718 5.028 ( 2.265 -1.174 4.846) 5.476 5.101 ( 3.819 -4.037 2.870) 6.254 5.278 ( -0.525 -0.241 0.355) 0.678 5.441 ( -6.743 -5.169 -2.342) 8.813 5.617 ( 1.350 -1.927 0.534) 2.412 5.732 ( -3.036 4.773 -6.648) 8.728 5.813 ( -2.824 3.019 -1.656) 4.453 5.993 ( -3.296 -3.174 4.913) 6.714 6.308 ( -2.283 0.764 0.230) 2.418 6.527 ( 8.626 -2.046 2.477) 9.204 6.592 ( 6.599 -1.030 2.190) 7.029 6.907 ( -1.354 -4.499 -6.307) 7.865 7.206 ( -1.371 0.658 -10.275) 10.387 7.550 ( 4.855 0.297 3.887) 6.226 7.640 ( 0.033 -5.559 3.319) 6.474 7.916 ( -2.355 1.952 0.169) 3.063 8.235 ( 0.841 13.309 -14.459) 19.670======================= Grid point 241 (113/196) =======================q-point: (-0.10 0.20 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 350Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.018 ( -4.869 1.841 17.018) 17.796 1.100 ( 11.966 6.751 17.872) 22.543 1.474 ( 3.928 -7.016 10.250) 13.027 1.819 ( 3.737 -3.092 1.709) 5.142 1.844 ( 7.488 2.312 5.888) 9.802 1.943 ( 2.149 4.704 -2.820) 5.891 2.048 ( 15.756 10.333 19.874) 27.386 2.117 ( -5.697 -4.959 -8.839) 11.627 2.258 ( 4.170 -0.407 -3.940) 5.751 2.674 ( 3.946 4.314 -3.879) 7.016 2.743 ( 10.077 1.246 6.672) 12.149 2.933 ( 3.358 0.083 1.850) 3.835 3.245 ( -4.639 -5.530 -1.567) 7.386 3.330 ( 4.524 -1.519 6.416) 7.996 3.343 ( 4.062 -0.884 -1.997) 4.611 3.535 ( 3.665 1.774 -0.721) 4.135 3.801 ( -4.623 -1.110 -7.314) 8.723 3.889 ( -2.743 0.802 1.030) 3.038 3.993 ( -1.276 -2.172 4.605) 5.249 4.231 ( -6.464 3.565 -2.766) 7.883 4.327 ( 2.929 -0.491 5.017) 5.830 4.400 ( -5.003 2.269 -0.616) 5.528 4.605 ( -0.073 -1.243 6.098) 6.224 4.738 ( -3.556 -2.215 -1.117) 4.336 4.794 ( -1.431 -1.031 2.609) 3.149 5.074 ( 0.746 1.169 5.067) 5.254 5.221 ( 5.161 -4.002 3.028) 7.198 5.286 ( 1.228 1.563 4.782) 5.179 5.359 ( -3.807 -9.977 1.131) 10.738 5.560 ( -4.987 1.502 -5.922) 7.887 5.694 ( -1.076 6.477 -5.339) 8.463 5.799 ( 2.683 -1.165 1.006) 3.093 5.928 ( -5.012 -2.431 4.697) 7.286 6.240 ( -4.442 0.989 -0.742) 4.610 6.676 ( 5.605 -2.155 -2.083) 6.356 6.734 ( 7.573 -0.654 2.231) 7.922 6.885 ( -2.212 -2.103 -5.122) 5.962 7.189 ( 0.125 -2.049 -11.161) 11.349 7.613 ( -0.843 -4.543 3.698) 5.918 7.673 ( 1.576 -1.652 1.101) 2.535 7.839 ( -4.550 1.608 -0.863) 4.902 8.107 ( -4.219 13.812 -8.622) 16.821======================= Grid point 245 (114/196) =======================q-point: (-0.70 0.30 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 195Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.291 ( 4.162 0.000 7.294) 8.398 1.397 ( 6.258 0.000 0.085) 6.258 1.536 ( -3.619 -0.000 5.382) 6.485 1.878 ( -6.686 -0.000 4.363) 7.984 2.155 ( -9.252 -0.000 -5.845) 10.944 2.221 ( -14.162 -0.000 -8.855) 16.703 2.348 ( 1.598 0.000 8.977) 9.119 2.471 ( -3.482 -0.000 -6.479) 7.355 2.583 ( 3.503 0.000 3.178) 4.730 2.694 ( 9.544 0.000 -5.587) 11.059 2.975 ( -11.398 -0.000 12.338) 16.797 3.108 ( -5.126 -0.000 1.260) 5.279 3.277 ( -5.283 -0.000 8.455) 9.970 3.322 ( 9.187 0.000 5.096) 10.505 3.469 ( -4.729 -0.000 -9.023) 10.187 3.570 ( -5.188 -0.000 6.610) 8.403 3.666 ( 1.199 0.000 -4.611) 4.764 3.924 ( -4.373 -0.000 -0.427) 4.394 4.011 ( -0.515 -0.000 7.481) 7.498 4.132 ( 4.228 0.000 0.176) 4.231 4.168 ( 8.096 0.000 0.120) 8.097 4.529 ( -0.149 -0.000 -3.993) 3.995 4.656 ( 2.111 0.000 5.972) 6.334 4.818 ( 1.442 0.000 3.673) 3.946 4.822 ( -6.217 -0.000 2.158) 6.581 5.081 ( 2.492 0.000 1.263) 2.793 5.085 ( 0.650 0.000 1.985) 2.089 5.178 ( 2.027 0.000 -2.188) 2.983 5.534 ( 2.228 0.000 -5.269) 5.720 5.570 ( 1.180 0.000 9.300) 9.375 5.733 ( 0.678 0.000 -1.329) 1.492 5.788 ( -0.903 -0.000 0.915) 1.285 6.132 ( 0.544 0.000 2.808) 2.860 6.309 ( 4.644 0.000 6.446) 7.944 6.576 ( -6.557 -0.000 -0.726) 6.597 6.594 ( -6.111 -0.000 -5.273) 8.072 6.868 ( -2.946 -0.000 -6.280) 6.937 7.147 ( 9.073 0.000 -4.669) 10.204 7.431 ( 2.095 0.000 -0.240) 2.109 7.452 ( -4.503 -0.000 -4.149) 6.123 7.807 ( 3.516 0.000 1.783) 3.942 7.944 ( 2.827 0.000 -4.565) 5.370======================= Grid point 247 (115/196) =======================q-point: (-0.60 0.30 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 350Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.347 ( 2.558 10.516 10.618) 15.161 1.455 ( -2.440 2.362 5.666) 6.606 1.521 ( 2.195 -2.940 2.556) 4.471 1.758 ( -8.624 3.335 -1.941) 9.448 1.862 ( -15.755 0.074 3.958) 16.245 1.981 ( -11.255 -10.640 -5.299) 16.369 2.400 ( 3.711 1.261 2.482) 4.640 2.445 ( -0.284 0.146 -9.260) 9.265 2.659 ( -3.110 -1.189 8.880) 9.484 2.744 ( -7.266 -0.739 3.040) 7.911 2.802 ( -1.948 -0.313 3.772) 4.257 3.025 ( -4.380 -1.656 0.257) 4.690 3.219 ( 0.023 -0.440 0.228) 0.496 3.363 ( -3.511 4.495 2.799) 6.353 3.387 ( -3.980 -0.682 -2.632) 4.820 3.530 ( -0.851 0.407 10.007) 10.052 3.637 ( -3.784 -0.126 0.803) 3.870 3.914 ( 3.951 0.036 1.243) 4.142 4.029 ( 3.025 1.883 3.587) 5.056 4.162 ( -1.050 -1.364 -4.236) 4.572 4.304 ( 5.689 -0.272 2.028) 6.046 4.543 ( 2.275 0.700 -1.840) 3.009 4.681 ( 0.133 0.445 7.676) 7.690 4.719 ( -4.426 0.867 1.546) 4.768 4.852 ( 1.534 -0.032 1.223) 1.962 5.074 ( -1.930 0.993 3.182) 3.852 5.114 ( 0.548 -2.414 2.413) 3.457 5.219 ( 1.882 -3.247 -4.654) 5.979 5.535 ( -1.879 0.899 -11.540) 11.726 5.602 ( 1.100 -0.584 6.234) 6.357 5.771 ( 3.211 0.466 3.678) 4.904 5.804 ( 2.992 -0.759 0.787) 3.186 6.122 ( -1.599 0.612 0.781) 1.882 6.367 ( 1.029 0.263 2.499) 2.715 6.445 ( -5.985 3.140 1.703) 6.970 6.481 ( -6.174 -2.838 -3.423) 7.608 6.842 ( 0.006 -1.145 -5.225) 5.349 7.300 ( 7.505 1.014 -2.821) 8.082 7.380 ( -2.744 0.104 -4.171) 4.993 7.472 ( 2.292 -0.308 0.563) 2.380 7.876 ( 3.645 0.351 2.185) 4.265 8.021 ( 6.610 0.652 -7.624) 10.112======================= Grid point 248 (116/196) =======================q-point: (-0.50 0.30 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 350Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.315 ( -3.193 5.847 15.217) 16.611 1.354 ( -4.139 16.527 -1.697) 17.121 1.366 ( -15.542 4.795 9.202) 18.687 1.597 ( -1.270 -6.791 -3.751) 7.861 1.734 ( -5.433 1.123 7.167) 9.063 1.982 ( 1.432 -15.788 7.643) 17.599 2.363 ( -7.612 4.536 -3.470) 9.517 2.430 ( -10.316 0.495 8.369) 13.293 2.481 ( 0.871 -0.764 -2.914) 3.136 2.639 ( -10.031 -2.632 -0.990) 10.418 2.800 ( 0.409 -0.057 3.586) 3.610 2.982 ( -1.169 -3.320 -0.852) 3.621 3.173 ( -11.456 3.699 3.701) 12.594 3.273 ( 3.024 -0.285 -2.965) 4.245 3.371 ( 2.039 -0.120 -1.131) 2.334 3.526 ( -2.641 3.354 6.263) 7.579 3.585 ( 0.952 -1.831 7.259) 7.546 3.997 ( 3.560 2.414 0.336) 4.314 4.081 ( 3.522 3.559 0.944) 5.095 4.144 ( -0.742 -2.162 -2.320) 3.257 4.386 ( 3.497 -0.636 -0.363) 3.573 4.524 ( -5.260 0.099 0.790) 5.320 4.683 ( -0.480 -1.303 9.400) 9.502 4.716 ( 4.421 -0.432 -0.393) 4.460 4.861 ( -0.238 2.294 1.725) 2.880 5.012 ( -5.416 -3.194 3.063) 6.994 5.123 ( -1.189 -0.441 3.447) 3.673 5.279 ( 1.883 -6.515 -4.782) 8.298 5.450 ( -3.698 1.403 -16.681) 17.143 5.617 ( -0.520 0.067 4.759) 4.788 5.842 ( 4.036 0.526 4.464) 6.041 5.881 ( 3.505 -0.307 1.832) 3.967 6.065 ( -4.747 -0.036 -2.962) 5.596 6.330 ( -1.445 3.617 -1.681) 4.242 6.384 ( -1.185 -0.472 3.828) 4.035 6.418 ( -1.794 -3.044 2.728) 4.464 6.852 ( 0.406 -1.985 -5.902) 6.240 7.326 ( -1.786 0.880 -7.956) 8.201 7.406 ( 4.601 2.149 3.434) 6.130 7.520 ( 2.125 -1.785 1.768) 3.290 7.934 ( 2.671 0.892 2.320) 3.649 8.161 ( 10.230 2.866 -12.342) 16.285======================= Grid point 249 (117/196) =======================q-point: (-0.40 0.30 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 350Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.054 ( -7.594 8.244 6.411) 12.913 1.201 ( -4.377 5.680 15.302) 16.899 1.368 ( 4.494 9.964 15.251) 18.764 1.608 ( -3.312 -9.128 2.404) 10.003 1.642 ( -3.884 -0.603 7.056) 8.077 2.007 ( -4.425 3.423 15.915) 16.870 2.215 ( -4.794 3.212 -7.469) 9.439 2.330 ( -1.910 -2.425 -0.090) 3.088 2.416 ( -8.660 -3.086 -1.971) 9.402 2.489 ( -5.260 -1.757 3.481) 6.548 2.780 ( -2.093 2.651 3.359) 4.764 2.945 ( -4.261 -3.049 -0.913) 5.318 3.101 ( 5.601 1.149 -0.479) 5.738 3.274 ( -1.854 1.734 -2.591) 3.627 3.417 ( -2.766 0.786 2.478) 3.796 3.442 ( 0.032 -0.749 0.803) 1.098 3.688 ( 6.583 -2.006 5.610) 8.879 4.000 ( -1.391 2.690 2.065) 3.666 4.111 ( -1.308 1.404 -3.311) 3.827 4.163 ( 5.337 2.893 0.099) 6.072 4.385 ( -6.632 -1.608 2.555) 7.287 4.472 ( 2.233 -2.547 -1.552) 3.726 4.694 ( -0.486 -3.380 8.000) 8.698 4.795 ( -6.418 0.254 -0.661) 6.457 4.816 ( 3.922 0.065 2.938) 4.901 4.957 ( -1.748 -4.425 6.789) 8.290 5.075 ( -3.422 0.135 -1.091) 3.595 5.306 ( -0.790 -1.787 -6.995) 7.263 5.423 ( 1.830 -1.355 -7.213) 7.563 5.588 ( -2.680 -0.507 4.863) 5.576 5.883 ( -3.104 0.456 -5.817) 6.609 5.896 ( -0.406 3.067 1.121) 3.291 5.973 ( -2.795 -2.384 2.254) 4.310 6.332 ( 1.153 1.335 -0.826) 1.948 6.391 ( 2.980 -0.132 4.976) 5.802 6.457 ( 3.755 -2.877 3.932) 6.151 6.862 ( -0.047 -2.748 -7.525) 8.011 7.273 ( -2.646 0.981 -7.969) 8.454 7.480 ( 4.573 2.027 4.026) 6.422 7.564 ( 1.087 -2.613 3.054) 4.164 7.961 ( 0.553 1.516 1.873) 2.472 8.308 ( 8.670 5.823 -16.324) 19.379======================= Grid point 250 (118/196) =======================q-point: (-0.30 0.30 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 350Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.042 ( 8.361 9.964 13.985) 19.099 1.150 ( -2.617 2.393 16.632) 17.006 1.329 ( -4.779 0.543 18.270) 18.892 1.624 ( 4.312 -7.595 11.394) 14.356 1.695 ( 5.790 -1.305 2.449) 6.420 1.996 ( 7.426 13.636 12.517) 19.944 2.097 ( -4.090 3.573 -5.503) 7.732 2.228 ( -4.898 -0.335 -4.142) 6.424 2.250 ( -8.967 1.615 -4.592) 10.203 2.585 ( 8.176 -6.093 8.125) 13.038 2.718 ( -2.424 3.695 2.670) 5.163 2.932 ( 0.319 -0.134 -1.556) 1.594 3.210 ( 0.870 -0.807 -1.639) 2.023 3.229 ( 3.397 0.470 -2.966) 4.534 3.332 ( -3.702 0.140 3.755) 5.275 3.485 ( 2.098 -1.636 -1.455) 3.032 3.824 ( 5.617 -2.330 4.208) 7.395 3.907 ( -6.511 -0.266 -1.602) 6.711 4.067 ( -4.075 4.134 -0.102) 5.805 4.235 ( 4.645 0.965 5.154) 7.005 4.325 ( -0.724 -1.182 -1.364) 1.945 4.518 ( 0.402 -2.539 0.708) 2.666 4.616 ( -9.777 0.273 -2.123) 10.008 4.712 ( -1.218 -4.629 8.159) 9.459 4.848 ( -1.582 1.552 2.186) 3.113 5.002 ( 2.724 -4.335 5.880) 7.797 5.057 ( 2.070 -2.880 -2.328) 4.243 5.298 ( 0.867 2.515 -0.257) 2.673 5.401 ( -6.018 -1.538 -0.556) 6.236 5.589 ( 1.404 -3.391 1.527) 3.975 5.773 ( -3.328 2.926 -7.379) 8.607 5.841 ( -4.270 2.163 -2.163) 5.252 5.961 ( -2.463 -2.735 4.842) 6.082 6.315 ( -2.123 0.501 0.044) 2.181 6.510 ( 7.835 -1.090 2.390) 8.264 6.575 ( 6.740 -2.206 3.950) 8.117 6.867 ( -0.231 -2.902 -8.051) 8.561 7.210 ( -2.730 0.179 -8.085) 8.536 7.554 ( 3.032 0.356 3.075) 4.332 7.600 ( 1.698 -2.367 3.326) 4.421 7.937 ( -2.406 1.898 0.794) 3.166 8.351 ( 1.396 8.775 -16.937) 19.126======================= Grid point 251 (119/196) =======================q-point: (-0.20 0.30 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 350Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.045 ( -4.778 3.375 15.841) 16.886 1.190 ( 11.427 10.018 16.427) 22.378 1.394 ( 3.688 -7.965 11.921) 14.804 1.773 ( 5.451 -5.513 5.940) 9.766 1.874 ( 11.462 2.404 7.521) 13.918 1.968 ( -3.335 -0.352 -11.394) 11.877 2.086 ( -6.675 0.664 -7.440) 10.018 2.179 ( 13.914 11.334 15.432) 23.669 2.262 ( 7.359 3.312 1.453) 8.200 2.705 ( 4.542 1.209 0.436) 4.721 2.766 ( 8.530 2.494 3.819) 9.673 2.936 ( 2.659 0.785 0.773) 2.878 3.185 ( -5.326 -5.480 -1.821) 7.856 3.320 ( 3.065 -0.449 5.411) 6.235 3.322 ( 3.529 -3.135 -2.143) 5.184 3.536 ( 2.343 -1.607 0.792) 2.949 3.790 ( -4.840 -0.720 -5.515) 7.373 3.894 ( -3.502 -0.013 1.111) 3.675 3.976 ( -0.276 -0.887 3.796) 3.908 4.269 ( -5.964 3.424 -2.802) 7.426 4.331 ( 3.584 1.371 5.131) 6.407 4.422 ( -3.616 1.770 -0.119) 4.028 4.588 ( 0.963 -1.806 4.950) 5.356 4.706 ( -2.900 -3.702 2.586) 5.367 4.792 ( -2.075 0.820 0.223) 2.243 5.074 ( 1.748 -2.428 3.875) 4.896 5.156 ( 4.821 -6.098 -1.088) 7.849 5.270 ( -6.241 -5.322 0.510) 8.218 5.332 ( 2.985 4.976 9.380) 11.029 5.576 ( -3.995 1.286 -5.988) 7.312 5.740 ( -3.322 2.011 -6.511) 7.582 5.782 ( 3.180 -2.065 3.506) 5.164 5.906 ( -4.659 -1.200 3.157) 5.754 6.250 ( -4.388 0.921 -1.142) 4.626 6.653 ( 6.009 -2.076 -1.438) 6.519 6.720 ( 6.955 -2.106 3.926) 8.259 6.865 ( -0.475 -1.395 -6.667) 6.828 7.167 ( -1.380 -1.862 -8.731) 9.033 7.577 ( -1.096 -2.233 2.918) 3.834 7.663 ( 3.138 -0.689 1.186) 3.425 7.858 ( -4.834 1.793 -0.414) 5.172 8.241 ( -5.251 11.074 -12.010) 17.160======================= Grid point 252 (120/196) =======================q-point: (-0.10 0.30 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 350Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.036 ( 3.666 2.607 8.199) 9.351 1.390 ( 13.429 6.495 15.561) 21.555 1.507 ( 4.131 -5.883 6.933) 9.987 1.796 ( -3.060 -3.879 -4.787) 6.879 1.855 ( -7.785 9.483 -3.020) 12.635 2.034 ( 3.776 -5.483 -3.010) 7.306 2.120 ( 10.267 2.836 5.288) 11.892 2.314 ( 5.129 -0.478 -6.504) 8.297 2.493 ( 17.976 7.857 17.236) 26.114 2.853 ( 5.469 3.768 3.523) 7.518 2.910 ( 12.931 -5.110 0.157) 13.905 3.015 ( -6.119 -2.122 2.559) 6.964 3.114 ( 6.586 -0.757 1.278) 6.752 3.367 ( 1.793 -4.044 -0.489) 4.451 3.439 ( 4.264 -0.993 3.437) 5.566 3.551 ( -3.318 -3.136 1.643) 4.852 3.737 ( -0.449 -1.587 -3.805) 4.146 3.777 ( -5.044 0.084 -5.669) 7.589 4.028 ( 3.419 2.610 3.074) 5.287 4.108 ( -7.922 3.346 -2.043) 8.839 4.300 ( -2.408 2.304 1.222) 3.550 4.469 ( 4.310 2.408 5.170) 7.148 4.593 ( -0.896 -0.800 8.653) 8.736 4.656 ( -3.435 -2.877 -1.118) 4.618 4.779 ( 0.265 0.963 -0.494) 1.114 5.076 ( -1.196 0.770 4.998) 5.197 5.233 ( -1.503 -0.515 3.134) 3.513 5.265 ( 2.083 -13.044 -3.168) 13.584 5.372 ( -1.727 2.843 4.306) 5.441 5.506 ( 2.506 1.568 2.035) 3.589 5.675 ( -2.064 1.153 -4.907) 5.447 5.827 ( -3.062 1.604 -0.966) 3.589 5.877 ( 3.502 -3.664 6.235) 8.035 6.155 ( -4.863 0.753 -2.265) 5.417 6.741 ( 2.846 -1.618 -2.801) 4.308 6.818 ( 1.215 -2.158 -1.621) 2.960 6.867 ( 1.944 1.538 -2.056) 3.220 7.163 ( -0.030 -3.872 -8.261) 9.123 7.536 ( -4.969 -0.899 0.041) 5.050 7.701 ( 0.298 -0.121 -0.424) 0.532 7.768 ( -3.078 0.525 -0.355) 3.142 8.070 ( -5.455 9.374 -5.316) 12.078======================= Grid point 257 (121/196) =======================q-point: (-0.60 0.40 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.339 ( -9.954 -0.000 15.781) 18.658 1.412 ( -2.900 -0.000 14.791) 15.072 1.455 ( -15.736 -0.000 -8.830) 18.044 1.537 ( -0.456 -0.000 -3.705) 3.733 1.799 ( -6.064 -0.000 3.552) 7.028 1.835 ( 7.226 0.000 11.519) 13.598 2.394 ( -4.605 -0.000 -10.168) 11.162 2.421 ( -14.945 -0.000 14.597) 20.891 2.488 ( 3.748 0.000 -2.537) 4.526 2.621 ( -10.642 -0.000 -1.162) 10.706 2.801 ( 1.050 0.000 4.009) 4.144 2.964 ( -1.505 -0.000 -1.422) 2.071 3.195 ( -11.856 -0.000 3.930) 12.490 3.268 ( 3.754 0.000 -3.683) 5.259 3.372 ( 1.076 0.000 -1.033) 1.492 3.554 ( -5.584 -0.000 5.781) 8.038 3.565 ( 3.643 0.000 9.290) 9.979 4.012 ( 4.697 0.000 0.552) 4.729 4.115 ( -1.805 -0.000 -4.896) 5.218 4.117 ( 4.164 0.000 4.232) 5.938 4.382 ( 3.507 0.000 -1.031) 3.655 4.525 ( -5.826 -0.000 0.268) 5.832 4.675 ( -1.216 -0.000 11.099) 11.165 4.713 ( 4.037 0.000 -0.782) 4.112 4.873 ( -0.258 -0.000 1.360) 1.384 4.996 ( -5.771 -0.000 2.834) 6.430 5.123 ( -0.573 -0.000 3.858) 3.900 5.241 ( 2.253 0.000 -5.334) 5.790 5.458 ( -3.558 -0.000 -17.371) 17.732 5.617 ( -0.407 -0.000 5.197) 5.213 5.844 ( 3.590 0.000 5.070) 6.212 5.879 ( 4.151 0.000 1.527) 4.422 6.064 ( -5.000 -0.000 -3.048) 5.856 6.361 ( -1.063 -0.000 -0.437) 1.150 6.372 ( -2.273 -0.000 -4.819) 5.328 6.399 ( -1.502 -0.000 9.746) 9.861 6.842 ( 0.487 0.000 -5.943) 5.963 7.330 ( -1.878 -0.000 -7.739) 7.964 7.419 ( 4.647 0.000 3.995) 6.128 7.510 ( 1.952 0.000 1.115) 2.248 7.939 ( 2.735 0.000 2.455) 3.675 8.177 ( 10.664 0.000 -12.825) 16.679======================= Grid point 259 (122/196) =======================q-point: (-0.50 0.40 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 350Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.100 ( -9.241 1.476 12.863) 15.908 1.289 ( -3.278 9.785 8.263) 13.220 1.398 ( -1.112 -5.288 11.704) 12.891 1.551 ( 0.840 -0.858 0.821) 1.455 1.650 ( -9.438 1.304 11.916) 15.257 2.024 ( 8.626 0.245 9.673) 12.962 2.245 ( -5.929 2.954 -4.251) 7.871 2.287 ( -2.577 -4.438 6.398) 8.202 2.400 ( -11.888 -0.415 -4.490) 12.715 2.487 ( -4.625 0.438 0.631) 4.688 2.806 ( -0.857 1.730 4.314) 4.726 2.915 ( -3.613 -1.967 -1.235) 4.295 3.113 ( 4.128 0.845 -1.074) 4.348 3.285 ( -1.757 0.437 -2.193) 2.844 3.410 ( 2.329 -0.984 -1.970) 3.205 3.445 ( -6.251 0.496 6.791) 9.243 3.674 ( 6.607 -0.668 6.382) 9.210 4.021 ( -3.782 1.174 1.007) 4.086 4.117 ( 2.063 0.097 -2.026) 2.893 4.193 ( 5.367 1.964 1.123) 5.825 4.370 ( -9.908 -0.964 1.287) 10.038 4.452 ( 3.363 -1.121 -1.632) 3.903 4.666 ( -1.094 -1.568 10.421) 10.594 4.796 ( -7.505 0.053 -1.110) 7.587 4.814 ( 4.862 -0.458 1.614) 5.143 4.931 ( -1.639 -0.870 7.155) 7.392 5.077 ( -3.630 0.132 -2.570) 4.450 5.286 ( 2.280 -1.310 -5.528) 6.122 5.423 ( 1.354 0.439 -9.208) 9.318 5.583 ( -3.858 -0.328 5.635) 6.837 5.885 ( -1.282 0.039 -4.434) 4.616 5.919 ( -0.382 1.120 1.011) 1.556 5.954 ( -4.314 -0.962 0.923) 4.515 6.342 ( -0.689 0.553 -0.398) 0.969 6.395 ( 4.437 0.852 0.801) 4.588 6.429 ( 3.600 -2.100 7.505) 8.585 6.843 ( 0.143 -0.849 -7.904) 7.950 7.279 ( -2.923 0.269 -7.547) 8.098 7.497 ( 4.119 1.023 4.949) 6.520 7.544 ( 1.274 -1.073 1.849) 2.489 7.972 ( 0.620 0.577 2.217) 2.373 8.348 ( 9.024 1.907 -17.087) 19.417======================= Grid point 260 (123/196) =======================q-point: (-0.40 0.40 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 352Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.097 ( 5.766 0.946 18.503) 19.403 1.226 ( 1.775 11.574 10.698) 15.860 1.341 ( -10.735 1.198 17.803) 20.823 1.513 ( 2.142 -11.958 9.245) 15.266 1.696 ( 8.794 0.500 3.750) 9.573 2.100 ( -3.230 4.609 -6.766) 8.801 2.168 ( 4.588 8.907 6.921) 12.177 2.200 ( -4.351 -1.526 -4.833) 6.680 2.299 ( -5.023 5.756 0.447) 7.652 2.500 ( 9.142 -9.821 10.091) 16.789 2.758 ( -2.873 3.558 4.254) 6.246 2.923 ( 2.336 -1.395 -1.191) 2.970 3.208 ( 1.819 0.357 -2.907) 3.447 3.232 ( 0.014 -0.015 -4.494) 4.494 3.334 ( -5.005 0.199 6.265) 8.021 3.460 ( 1.814 -2.455 -0.736) 3.139 3.807 ( 6.378 -0.933 4.791) 8.031 3.906 ( -6.980 -0.086 -1.570) 7.155 4.102 ( -7.455 2.358 0.432) 7.831 4.244 ( 4.046 0.695 4.579) 6.150 4.313 ( 3.503 -1.004 -0.942) 3.764 4.497 ( 0.323 -1.418 0.509) 1.541 4.618 ( -9.541 0.073 -2.201) 9.792 4.671 ( -0.920 -2.948 9.287) 9.787 4.869 ( -0.787 2.508 2.025) 3.318 4.949 ( 1.327 -5.016 4.060) 6.588 5.041 ( 1.733 -0.606 -2.440) 3.053 5.307 ( -0.801 -0.538 -3.958) 4.074 5.421 ( -1.922 4.661 1.995) 5.422 5.545 ( 0.312 -4.785 2.866) 5.586 5.794 ( -3.799 1.083 -8.651) 9.510 5.857 ( -5.434 1.050 -1.463) 5.724 5.939 ( -1.280 -1.295 4.536) 4.888 6.319 ( -1.989 0.203 0.007) 1.999 6.506 ( 7.288 0.534 2.373) 7.683 6.548 ( 6.700 -2.704 4.780) 8.663 6.846 ( 0.499 -1.212 -8.976) 9.072 7.211 ( -3.436 -0.008 -6.987) 7.786 7.557 ( 1.222 0.241 2.143) 2.478 7.585 ( 3.430 -0.759 3.392) 4.883 7.953 ( -2.476 1.141 1.240) 2.996 8.419 ( 1.732 4.222 -17.738) 18.315======================= Grid point 261 (124/196) =======================q-point: (-0.30 0.40 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 350Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.089 ( -3.900 4.894 14.816) 16.084 1.290 ( 3.940 0.841 14.532) 15.080 1.327 ( 9.038 3.383 13.322) 16.450 1.696 ( 8.914 -9.190 10.089) 16.300 1.889 ( 9.300 0.699 4.388) 10.307 1.961 ( -4.887 0.095 -10.960) 12.001 2.097 ( -3.863 0.164 -8.864) 9.671 2.244 ( 4.053 3.951 0.564) 5.689 2.377 ( 15.789 15.135 14.366) 26.168 2.706 ( -0.063 -0.686 2.814) 2.897 2.765 ( 12.829 -3.501 6.182) 14.664 2.958 ( 2.211 3.085 -2.187) 4.380 3.140 ( -6.282 -2.262 -1.408) 6.824 3.276 ( 1.254 -5.399 -1.992) 5.890 3.319 ( 2.440 0.232 5.085) 5.645 3.508 ( 1.743 -3.052 1.681) 3.896 3.788 ( -4.637 0.253 -5.160) 6.942 3.887 ( -4.680 -1.158 2.672) 5.512 3.972 ( 0.956 -0.022 3.162) 3.304 4.300 ( -5.763 2.441 -2.478) 6.732 4.354 ( 4.874 2.745 5.098) 7.569 4.435 ( -2.417 0.506 0.221) 2.479 4.569 ( 1.540 -1.580 3.526) 4.160 4.667 ( -2.426 -3.323 4.842) 6.354 4.811 ( -2.168 2.858 -1.232) 3.793 5.007 ( 1.697 -8.653 -0.159) 8.819 5.130 ( 4.495 0.011 2.574) 5.180 5.223 ( -6.667 -3.570 0.679) 7.593 5.398 ( 3.081 7.185 7.209) 10.634 5.580 ( -1.282 -0.911 -4.441) 4.711 5.738 ( -5.722 -1.739 -1.617) 6.195 5.761 ( 0.545 -1.576 -0.518) 1.746 5.905 ( -2.676 0.600 1.369) 3.065 6.258 ( -4.327 0.581 -1.483) 4.611 6.637 ( 6.112 -0.818 -0.447) 6.182 6.692 ( 6.461 -2.954 4.421) 8.368 6.856 ( 1.065 -0.338 -7.420) 7.504 7.151 ( -2.436 -1.145 -7.372) 7.848 7.562 ( -0.791 -0.657 1.999) 2.248 7.657 ( 3.356 -0.343 1.112) 3.552 7.875 ( -5.129 1.342 -0.078) 5.303 8.335 ( -5.496 6.746 -13.593) 16.139======================= Grid point 262 (125/196) =======================q-point: (-0.20 0.40 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 352Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.073 ( 3.275 4.529 8.462) 10.141 1.415 ( 6.693 -6.393 10.735) 14.174 1.490 ( 10.787 7.328 11.750) 17.554 1.772 ( -3.560 -0.661 -5.333) 6.446 1.921 ( -3.730 -1.832 -0.068) 4.156 1.998 ( 3.745 3.078 -1.523) 5.081 2.141 ( 9.989 1.146 5.687) 11.551 2.312 ( 4.909 0.463 -7.736) 9.174 2.569 ( 9.318 5.127 10.552) 14.982 2.837 ( 8.391 -3.422 6.070) 10.907 2.932 ( 9.895 6.632 -1.268) 11.980 2.993 ( -7.691 -1.487 1.385) 7.955 3.101 ( 11.033 -1.919 2.968) 11.586 3.316 ( 0.078 -5.882 -1.253) 6.014 3.418 ( 5.603 -2.755 4.995) 7.996 3.525 ( -3.341 -1.655 3.384) 5.035 3.723 ( -1.178 -0.854 -2.248) 2.678 3.773 ( -4.300 -0.860 -5.651) 7.153 4.053 ( 4.369 1.941 3.492) 5.920 4.142 ( -7.771 2.837 -2.061) 8.526 4.329 ( -2.644 3.036 1.436) 4.274 4.499 ( 5.025 2.988 5.140) 7.784 4.576 ( -2.752 -2.514 5.822) 6.912 4.631 ( -1.977 -1.718 2.078) 3.343 4.797 ( 1.638 2.412 -1.223) 3.162 5.080 ( -1.921 -0.042 3.703) 4.172 5.126 ( 2.326 -12.542 -1.564) 12.851 5.232 ( 0.159 -0.317 1.921) 1.953 5.415 ( -2.452 5.116 2.637) 6.256 5.524 ( 2.053 1.743 1.654) 3.160 5.670 ( -3.244 -1.591 -3.047) 4.726 5.803 ( -1.149 -5.585 5.953) 8.244 5.875 ( 2.230 2.525 -0.889) 3.484 6.161 ( -5.173 0.507 -3.030) 6.016 6.726 ( 3.205 -1.017 -2.138) 3.985 6.793 ( 2.027 -2.515 -1.117) 3.418 6.884 ( 2.991 1.597 -1.767) 3.823 7.124 ( -0.893 -3.268 -7.693) 8.406 7.530 ( -3.561 -0.172 0.044) 3.565 7.701 ( 0.856 0.061 -0.766) 1.150 7.774 ( -4.241 0.540 -0.439) 4.298 8.160 ( -7.334 7.405 -7.258) 12.700======================= Grid point 263 (126/196) =======================q-point: (-0.10 0.40 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 350Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.134 ( 3.672 1.706 3.790) 5.545 1.565 ( 0.351 1.250 0.021) 1.298 1.669 ( 9.303 4.042 6.146) 11.860 1.745 ( 3.466 -2.561 1.056) 4.437 1.765 ( -2.016 5.843 1.356) 6.328 2.095 ( 4.669 -2.705 -2.088) 5.786 2.279 ( 3.195 -0.279 7.590) 8.240 2.437 ( 8.667 1.837 -5.514) 10.436 2.641 ( -2.563 -8.397 0.141) 8.780 2.828 ( -5.579 -2.526 3.507) 7.058 3.007 ( 7.022 5.841 7.936) 12.100 3.162 ( 12.462 -0.548 -0.896) 12.507 3.291 ( 1.488 0.278 3.794) 4.085 3.333 ( 1.485 -6.449 -0.179) 6.620 3.408 ( -2.587 3.261 3.359) 5.349 3.543 ( 3.800 -2.523 2.967) 5.442 3.747 ( 2.731 -0.378 -6.275) 6.854 3.776 ( 4.353 -1.433 -1.696) 4.886 3.969 ( -7.970 3.401 -1.233) 8.753 4.075 ( -2.666 3.535 0.045) 4.428 4.317 ( 3.622 1.529 5.974) 7.152 4.475 ( -5.020 1.595 3.536) 6.344 4.569 ( -1.205 -4.647 0.238) 4.807 4.676 ( 5.926 2.045 8.702) 10.725 4.814 ( 1.857 3.529 1.015) 4.115 5.069 ( 0.403 -1.351 4.182) 4.413 5.160 ( -6.576 -1.507 -3.215) 7.473 5.263 ( 3.275 -6.665 -2.034) 7.699 5.301 ( -3.755 2.597 0.289) 4.574 5.627 ( -1.671 -3.785 -1.166) 4.299 5.637 ( 6.673 1.087 10.766) 12.713 5.782 ( -1.978 0.349 -1.973) 2.815 5.939 ( 3.301 -1.293 5.095) 6.207 6.083 ( -2.182 -0.104 -2.900) 3.630 6.763 ( 0.805 -0.740 -3.537) 3.702 6.814 ( 0.228 -1.382 -3.386) 3.664 6.904 ( -0.016 3.590 -0.841) 3.687 7.138 ( 0.512 -3.957 -5.986) 7.194 7.430 ( -6.048 0.978 -3.612) 7.112 7.684 ( -1.412 0.257 -0.084) 1.437 7.733 ( -1.434 -0.460 -0.857) 1.733 8.007 ( -4.695 4.966 -3.256) 7.570======================= Grid point 269 (127/196) =======================q-point: ( 0.50 -0.50 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 195Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.099 ( 4.796 0.000 19.671) 20.247 1.337 ( 4.234 0.000 6.606) 7.847 1.340 ( -8.802 -0.000 16.905) 19.059 1.410 ( -2.879 -0.000 12.492) 12.819 1.699 ( 9.176 -0.000 3.595) 9.855 2.127 ( -3.741 -0.000 -6.959) 7.900 2.169 ( -11.924 0.000 -8.553) 14.675 2.242 ( 9.119 -0.000 -0.345) 9.126 2.386 ( -2.408 -0.000 8.559) 8.891 2.387 ( 11.284 0.000 12.775) 17.045 2.780 ( -3.422 0.000 4.917) 5.990 2.912 ( 3.432 -0.000 -1.282) 3.664 3.212 ( 4.219 -0.000 -3.744) 5.641 3.230 ( -3.266 0.000 -4.437) 5.509 3.335 ( -5.483 0.000 7.424) 9.229 3.445 ( 1.879 0.000 -0.809) 2.046 3.803 ( 6.682 0.000 5.079) 8.392 3.905 ( -7.235 0.000 -1.599) 7.410 4.115 ( -9.411 0.000 0.778) 9.443 4.249 ( 4.264 0.000 4.262) 6.029 4.307 ( 5.373 -0.000 -0.768) 5.428 4.489 ( 0.230 0.000 0.410) 0.471 4.618 ( -9.287 0.000 -2.557) 9.632 4.654 ( -0.833 0.000 10.004) 10.039 4.897 ( 1.830 0.000 -1.899) 2.638 4.907 ( -1.715 -0.000 7.184) 7.386 5.039 ( 1.757 0.000 -2.439) 3.006 5.303 ( -1.671 -0.000 -4.623) 4.916 5.467 ( 3.247 0.000 -0.773) 3.337 5.501 ( -3.614 -0.000 6.269) 7.236 5.799 ( -3.989 -0.000 -9.197) 10.025 5.863 ( -5.920 0.000 -0.949) 5.996 5.933 ( -0.703 0.000 4.241) 4.299 6.320 ( -1.932 0.000 0.017) 1.932 6.517 ( 7.223 -0.000 -0.432) 7.236 6.526 ( 6.537 0.000 7.750) 10.138 6.839 ( 0.756 0.000 -9.215) 9.246 7.211 ( -3.645 0.000 -6.671) 7.602 7.559 ( 0.410 -0.000 1.686) 1.735 7.581 ( 4.212 0.000 3.530) 5.495 7.959 ( -2.508 0.000 1.399) 2.872 8.441 ( 1.844 0.000 -17.883) 17.978======================= Grid point 271 (128/196) =======================q-point: (-0.40 0.50 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 350Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.147 ( -1.792 5.946 13.997) 15.312 1.224 ( -1.152 -6.945 14.216) 15.864 1.446 ( 10.271 12.496 12.762) 20.604 1.584 ( 11.177 -11.675 12.012) 20.138 1.894 ( 6.286 0.248 1.594) 6.490 1.967 ( -3.481 0.564 -7.269) 8.080 2.090 ( -1.405 -0.762 -10.155) 10.281 2.281 ( 3.147 2.315 -1.100) 4.059 2.531 ( 15.401 12.706 11.163) 22.875 2.681 ( 3.951 -6.428 5.104) 9.109 2.712 ( 6.981 -2.802 9.344) 11.996 2.983 ( 3.472 1.186 -4.112) 5.510 3.150 ( -5.274 4.102 -0.866) 6.738 3.211 ( -1.913 -6.635 -0.965) 6.972 3.322 ( 1.895 0.195 4.893) 5.251 3.483 ( 1.871 -1.369 1.516) 2.770 3.792 ( -4.221 0.430 -6.291) 7.588 3.874 ( -5.548 -0.864 4.939) 7.478 3.973 ( 1.702 0.082 2.931) 3.391 4.318 ( -6.013 0.875 -2.153) 6.446 4.383 ( 7.301 2.140 5.907) 9.632 4.432 ( -2.670 -0.808 -0.231) 2.799 4.558 ( 1.554 -0.495 2.205) 2.743 4.641 ( -2.350 -1.384 5.953) 6.548 4.853 ( -1.471 5.024 -2.345) 5.736 4.920 ( 0.172 -7.331 -0.668) 7.363 5.135 ( 6.145 0.519 3.992) 7.346 5.195 ( -7.831 -1.554 0.001) 7.984 5.476 ( 2.622 6.924 4.218) 8.521 5.550 ( 2.144 -4.677 0.330) 5.156 5.723 ( -8.124 -0.683 -0.879) 8.199 5.749 ( -1.572 -0.741 -3.110) 3.563 5.912 ( -1.488 0.419 0.480) 1.619 6.262 ( -4.280 0.194 -1.663) 4.596 6.636 ( 5.904 0.558 0.127) 5.931 6.664 ( 6.499 -2.037 4.346) 8.080 6.855 ( 1.823 -0.004 -7.523) 7.740 7.143 ( -2.937 -0.378 -6.875) 7.485 7.559 ( -0.655 -0.103 1.515) 1.654 7.655 ( 3.380 -0.103 1.067) 3.546 7.885 ( -5.314 0.493 0.093) 5.338 8.382 ( -5.485 2.234 -14.115) 15.307======================= Grid point 272 (129/196) =======================q-point: (-0.30 0.50 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 350Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.130 ( 2.295 6.056 8.926) 11.028 1.330 ( 6.998 -8.338 9.037) 14.148 1.586 ( 9.670 9.478 11.099) 17.509 1.775 ( -3.184 0.777 -4.040) 5.202 1.849 ( 4.844 -8.593 6.051) 11.572 2.056 ( 0.395 4.339 -5.068) 6.684 2.150 ( 9.779 0.963 5.433) 11.229 2.329 ( 3.221 2.679 -7.217) 8.345 2.576 ( -2.882 -3.114 2.243) 4.799 2.837 ( 13.440 2.846 7.245) 15.532 2.971 ( 3.292 1.359 1.566) 3.890 3.027 ( 1.180 6.021 2.050) 6.469 3.075 ( 10.952 -1.746 3.277) 11.565 3.239 ( -0.807 -8.572 -2.403) 8.939 3.391 ( 4.871 -1.955 7.565) 9.207 3.515 ( -0.636 -0.509 3.899) 3.983 3.723 ( -2.360 0.830 -2.519) 3.550 3.759 ( -3.785 -1.796 -4.796) 6.368 4.068 ( 5.068 1.040 4.351) 6.760 4.164 ( -7.905 1.420 -1.881) 8.249 4.361 ( -2.607 2.893 1.694) 4.247 4.515 ( 2.551 -0.952 4.235) 5.035 4.560 ( -2.635 0.862 3.663) 4.594 4.617 ( 0.886 -1.313 4.781) 5.036 4.833 ( 2.254 4.500 -1.889) 5.375 5.005 ( 2.524 -10.209 -1.349) 10.602 5.077 ( -2.078 -0.390 2.726) 3.449 5.229 ( 0.732 -0.230 2.141) 2.275 5.475 ( -3.184 5.909 -0.385) 6.724 5.538 ( 0.637 0.699 0.089) 0.950 5.651 ( -1.892 -1.703 2.027) 3.255 5.741 ( -0.745 -5.421 6.776) 8.710 5.899 ( 1.497 1.678 -2.674) 3.494 6.165 ( -5.439 0.243 -3.598) 6.526 6.721 ( 3.468 0.011 -0.967) 3.601 6.768 ( 2.944 -2.063 -1.151) 3.775 6.899 ( 3.818 1.032 -1.489) 4.226 7.097 ( -1.929 -1.846 -7.910) 8.349 7.530 ( -2.980 0.075 -0.059) 2.982 7.702 ( 1.437 0.058 -0.843) 1.667 7.779 ( -5.164 0.351 -0.518) 5.201 8.221 ( -8.289 3.949 -8.300) 12.377======================= Grid point 273 (130/196) =======================q-point: (-0.20 0.50 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 350Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.155 ( 1.608 2.099 5.931) 6.494 1.557 ( 10.003 -2.479 2.886) 10.703 1.687 ( 3.321 0.359 -2.003) 3.894 1.766 ( 4.854 5.501 6.571) 9.849 1.829 ( -4.892 5.123 0.001) 7.083 2.077 ( 3.798 -0.231 1.164) 3.979 2.260 ( 0.809 -3.009 6.661) 7.354 2.437 ( 8.665 -2.510 -5.152) 10.389 2.563 ( -1.112 -5.445 -2.433) 6.067 2.815 ( -7.230 0.067 2.232) 7.567 3.068 ( 4.726 5.093 3.671) 7.858 3.167 ( 12.236 1.410 0.270) 12.320 3.247 ( -2.115 -6.098 1.569) 6.642 3.305 ( 8.672 -0.869 3.692) 9.466 3.446 ( -2.723 3.473 4.841) 6.551 3.513 ( 4.479 -2.838 5.109) 7.363 3.742 ( 3.243 -0.577 -2.995) 4.452 3.760 ( 3.809 -1.547 -4.574) 6.150 4.006 ( -6.985 3.234 -1.375) 7.820 4.108 ( -2.326 2.620 0.387) 3.525 4.333 ( 2.103 1.686 5.808) 6.403 4.471 ( -5.353 -3.025 3.917) 7.290 4.535 ( -0.893 -0.944 0.671) 1.462 4.703 ( 6.302 2.737 8.984) 11.310 4.857 ( 2.540 4.643 1.051) 5.396 5.036 ( 0.465 -4.882 2.705) 5.600 5.144 ( -7.973 -1.391 -5.060) 9.545 5.194 ( 7.695 -4.917 -1.753) 9.298 5.354 ( -5.528 6.037 0.716) 8.217 5.572 ( -1.162 -5.824 0.469) 5.957 5.657 ( 4.000 2.265 9.833) 10.854 5.768 ( -0.567 -2.883 2.536) 3.882 5.938 ( 2.985 0.846 0.844) 3.216 6.080 ( -2.557 -0.387 -3.598) 4.431 6.760 ( 1.091 0.181 -2.965) 3.165 6.799 ( 0.327 -1.426 -3.122) 3.448 6.944 ( 1.252 3.971 -0.985) 4.278 7.092 ( 0.844 -4.587 -5.757) 7.410 7.440 ( -6.051 0.799 -3.549) 7.061 7.690 ( -1.540 0.923 -0.316) 1.823 7.726 ( -1.441 -0.935 -0.931) 1.953 8.054 ( -6.380 3.632 -4.082) 8.400======================= Grid point 274 (131/196) =======================q-point: (-0.10 0.50 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 350Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.175 ( 0.259 -1.094 3.378) 3.560 1.462 ( -10.512 7.943 -2.521) 13.414 1.703 ( -2.045 1.463 -1.524) 2.940 1.905 ( 7.107 0.174 9.175) 11.607 1.944 ( 14.716 -1.710 2.104) 14.964 2.175 ( 4.978 -2.878 2.050) 6.104 2.242 ( -1.060 -3.398 -1.208) 3.760 2.550 ( -1.907 1.648 -2.808) 3.773 2.627 ( 6.404 -0.735 -1.504) 6.619 2.724 ( -1.168 -6.922 4.572) 8.377 3.000 ( -8.652 2.448 -6.030) 10.826 3.234 ( -1.647 -0.689 8.966) 9.142 3.349 ( 4.236 -2.006 2.086) 5.130 3.369 ( 1.935 1.457 3.200) 4.013 3.451 ( 1.257 2.453 4.984) 5.695 3.592 ( 2.245 -1.657 1.180) 3.030 3.811 ( 1.647 -2.255 -4.640) 5.416 3.854 ( 5.007 -0.740 -3.381) 6.087 3.895 ( -1.087 6.102 -3.942) 7.345 4.016 ( -2.029 2.500 3.214) 4.549 4.369 ( -6.655 0.615 4.529) 8.074 4.420 ( 4.877 -0.305 7.115) 8.632 4.532 ( -1.154 -2.228 0.740) 2.615 4.805 ( 4.388 0.142 4.539) 6.314 4.866 ( 0.898 4.690 2.686) 5.478 5.025 ( -3.673 -2.585 -3.447) 5.662 5.093 ( 2.972 -1.416 1.267) 3.527 5.214 ( -5.365 3.588 1.899) 6.728 5.361 ( 7.240 -2.508 1.102) 7.741 5.575 ( -1.490 -3.896 3.671) 5.557 5.724 ( -1.427 -0.265 0.778) 1.647 5.762 ( 2.954 -1.263 2.134) 3.857 5.984 ( 1.460 -0.637 4.038) 4.341 6.095 ( 3.943 -0.568 1.439) 4.235 6.756 ( -1.209 -0.306 -4.192) 4.373 6.786 ( -2.946 -0.809 -2.017) 3.660 6.917 ( 0.027 4.229 -3.723) 5.635 7.133 ( 0.823 -0.968 -5.498) 5.642 7.336 ( -3.329 -0.874 -3.687) 5.044 7.649 ( -3.542 0.694 -1.637) 3.964 7.708 ( -0.076 -0.843 0.510) 0.988 7.956 ( -2.413 1.936 -2.823) 4.188======================= Grid point 281 (132/196) =======================q-point: ( 0.60 -0.40 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.178 ( -0.448 -0.000 9.694) 9.704 1.270 ( 9.736 0.000 8.131) 12.684 1.655 ( 7.508 0.000 8.495) 11.337 1.782 ( 9.624 0.000 12.893) 16.088 1.783 ( -4.823 -0.000 -6.466) 8.067 2.076 ( 1.341 0.000 -6.811) 6.942 2.158 ( 10.288 0.000 5.894) 11.856 2.351 ( 1.935 0.000 -6.976) 7.239 2.548 ( -6.765 -0.000 0.227) 6.769 2.858 ( 10.201 0.000 3.593) 10.815 3.003 ( 2.082 0.000 0.752) 2.213 3.010 ( 17.032 0.000 11.930) 20.794 3.128 ( 0.268 0.000 3.089) 3.101 3.154 ( 0.000 0.000 -6.831) 6.831 3.381 ( 4.211 0.000 8.425) 9.419 3.512 ( 0.646 0.000 4.019) 4.070 3.738 ( -1.128 -0.000 -10.562) 10.622 3.739 ( -5.384 -0.000 3.355) 6.344 4.074 ( 5.402 0.000 4.707) 7.165 4.172 ( -8.076 -0.000 -1.762) 8.266 4.380 ( -2.269 -0.000 1.974) 3.008 4.503 ( -1.178 -0.000 2.830) 3.065 4.573 ( -1.080 -0.000 3.616) 3.774 4.606 ( 3.066 0.000 5.834) 6.591 4.877 ( 1.964 0.000 -3.085) 3.658 4.930 ( 3.169 0.000 -0.345) 3.188 5.074 ( -2.323 -0.000 2.416) 3.351 5.227 ( 0.902 0.000 2.206) 2.383 5.522 ( -0.871 -0.000 -2.178) 2.346 5.532 ( -4.702 -0.000 -3.737) 6.006 5.640 ( 2.621 0.000 9.915) 10.256 5.708 ( -2.577 -0.000 4.753) 5.406 5.908 ( 1.463 0.000 -3.162) 3.484 6.167 ( -5.543 -0.000 -3.796) 6.718 6.722 ( 3.486 0.000 -0.013) 3.486 6.755 ( 3.401 0.000 -1.648) 3.780 6.904 ( 4.181 0.000 -1.334) 4.388 7.087 ( -2.422 -0.000 -8.134) 8.487 7.531 ( -2.829 -0.000 -0.098) 2.831 7.702 ( 1.657 0.000 -0.850) 1.862 7.781 ( -5.495 -0.000 -0.549) 5.522 8.241 ( -8.570 -0.000 -8.612) 12.150======================= Grid point 283 (133/196) =======================q-point: (-0.30 0.60 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 350Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.173 ( -0.412 1.044 7.446) 7.530 1.531 ( 15.169 -1.678 3.053) 15.564 1.693 ( 0.362 0.533 -4.582) 4.627 1.821 ( 5.672 3.995 8.475) 10.953 1.857 ( -3.214 0.148 0.404) 3.243 2.094 ( 1.048 2.537 4.195) 5.013 2.224 ( -2.729 -3.027 3.798) 5.571 2.400 ( 6.525 -2.860 -4.941) 8.670 2.530 ( 3.386 -1.293 -2.668) 4.501 2.822 ( -6.829 0.718 0.600) 6.892 3.109 ( 0.322 2.828 -1.134) 3.064 3.166 ( 1.285 -2.731 -1.591) 3.412 3.218 ( 11.398 1.290 4.367) 12.274 3.291 ( 9.811 -1.477 6.794) 12.025 3.475 ( -1.292 1.795 5.795) 6.203 3.489 ( 3.230 -1.627 6.367) 7.322 3.736 ( 4.113 -0.295 0.092) 4.124 3.747 ( 3.086 -0.734 -7.626) 8.260 4.031 ( -6.347 1.310 -1.640) 6.685 4.128 ( -1.284 0.949 1.382) 2.111 4.355 ( 0.162 2.260 5.457) 5.909 4.429 ( -3.986 -3.666 2.585) 6.001 4.537 ( -2.033 0.414 2.100) 2.952 4.726 ( 6.542 1.246 9.355) 11.483 4.911 ( 3.039 5.488 0.550) 6.297 4.975 ( 1.373 -6.046 2.477) 6.676 5.133 ( -9.109 -0.550 -6.282) 11.079 5.161 ( 8.716 -1.532 -1.440) 8.966 5.417 ( -6.792 5.134 -0.933) 8.565 5.513 ( -0.552 -4.890 2.950) 5.737 5.685 ( 2.027 2.783 7.134) 7.921 5.731 ( 1.699 -3.492 7.777) 8.692 5.948 ( 2.765 0.658 -2.275) 3.640 6.076 ( -2.922 -0.224 -3.834) 4.826 6.766 ( 1.389 0.735 -1.352) 2.073 6.785 ( 0.314 -1.110 -4.121) 4.280 6.985 ( 3.552 3.499 0.214) 4.991 7.046 ( -0.727 -3.795 -7.053) 8.042 7.446 ( -5.965 0.300 -3.479) 6.911 7.702 ( -1.684 1.174 -0.425) 2.096 7.715 ( -1.425 -1.153 -0.993) 2.085 8.080 ( -7.255 1.313 -4.513) 8.644======================= Grid point 284 (134/196) =======================q-point: (-0.20 0.60 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 352Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.166 ( -1.005 -0.559 4.196) 4.351 1.550 ( -9.879 8.317 -0.788) 12.938 1.701 ( -6.645 -2.086 -1.473) 7.118 1.887 ( 12.415 -2.249 3.533) 13.103 1.950 ( 9.544 1.597 5.802) 11.283 2.150 ( 3.791 -1.820 4.017) 5.816 2.208 ( 2.299 -2.701 -4.267) 5.548 2.549 ( -1.005 -0.128 -0.552) 1.154 2.616 ( 11.588 -3.854 2.077) 12.388 2.690 ( -6.402 1.178 0.127) 6.511 3.021 ( -7.694 1.529 -7.096) 10.578 3.208 ( 0.762 -3.284 6.010) 6.891 3.337 ( -1.378 0.184 3.204) 3.492 3.393 ( 4.750 1.786 5.085) 7.184 3.473 ( 0.875 1.794 4.955) 5.342 3.574 ( 3.094 -1.725 2.674) 4.438 3.793 ( 1.177 -1.172 -4.721) 5.005 3.848 ( 5.805 -0.454 -3.244) 6.666 3.957 ( -0.149 5.041 -3.168) 5.956 4.034 ( -3.703 0.861 1.034) 3.940 4.361 ( -3.686 -1.408 6.895) 7.944 4.414 ( 2.175 -0.842 7.033) 7.409 4.525 ( 0.396 0.570 0.649) 0.950 4.802 ( -0.928 -0.501 1.676) 1.980 4.921 ( 1.146 5.029 2.978) 5.956 5.002 ( -1.033 -1.940 0.353) 2.226 5.069 ( 4.908 -2.509 -1.417) 5.692 5.249 ( -7.576 2.636 0.900) 8.072 5.341 ( 8.895 -1.252 0.755) 9.015 5.536 ( -0.119 -2.954 5.671) 6.395 5.724 ( -1.481 0.184 3.759) 4.044 5.743 ( 1.805 -1.852 1.373) 2.928 5.984 ( 1.363 0.438 0.436) 1.497 6.089 ( 3.950 -0.572 2.270) 4.591 6.754 ( -2.153 -0.058 -4.654) 5.128 6.779 ( -1.607 -0.495 -1.702) 2.393 6.962 ( -0.712 3.943 -5.583) 6.872 7.112 ( 3.419 -2.538 -2.277) 4.828 7.332 ( -4.801 -0.062 -4.704) 6.722 7.656 ( -3.857 0.668 -2.035) 4.412 7.699 ( 0.165 -0.769 0.889) 1.187 7.972 ( -3.265 1.160 -3.061) 4.623======================= Grid point 285 (135/196) =======================q-point: (-0.10 -0.40 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 350Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.120 ( -6.513 -2.106 -0.057) 6.845 1.350 ( -3.749 5.059 0.870) 6.357 1.586 ( -8.333 -6.661 2.106) 10.874 1.990 ( 2.503 1.098 7.216) 7.717 2.150 ( 2.433 0.997 0.801) 2.749 2.240 ( 6.090 -1.720 4.019) 7.496 2.361 ( 11.032 0.310 -6.221) 12.669 2.490 ( -0.261 -0.991 -1.745) 2.024 2.589 ( -3.748 -0.523 -0.634) 3.837 2.819 ( -9.203 2.349 -2.426) 9.803 2.877 ( 10.627 -0.581 1.329) 10.725 3.187 ( -5.015 -0.523 11.117) 12.208 3.334 ( -0.982 -2.403 2.095) 3.336 3.383 ( -3.515 1.239 5.690) 6.802 3.421 ( -5.875 -0.310 0.958) 5.961 3.637 ( 2.973 -0.042 -0.963) 3.125 3.775 ( -8.180 4.086 -6.205) 11.051 3.817 ( 0.971 -2.989 -1.284) 3.394 4.026 ( 7.813 1.424 -0.576) 7.963 4.089 ( 5.885 0.136 2.041) 6.230 4.255 ( -6.640 4.240 4.374) 9.011 4.484 ( 1.993 -4.613 6.284) 8.046 4.502 ( -1.765 3.020 -1.303) 3.733 4.740 ( -4.604 -8.166 -6.055) 11.160 4.948 ( 1.353 5.771 5.515) 8.096 5.034 ( 2.832 0.710 2.688) 3.968 5.137 ( -0.094 2.090 6.335) 6.671 5.198 ( 5.841 -0.491 -2.432) 6.346 5.496 ( 7.186 0.549 4.647) 8.575 5.538 ( -1.888 -1.498 6.114) 6.572 5.672 ( -1.948 -1.070 -3.884) 4.475 5.819 ( 3.272 -1.783 -0.113) 3.729 5.997 ( 0.306 -0.981 3.256) 3.414 6.195 ( 5.888 -0.604 6.713) 8.949 6.667 ( -7.390 -1.054 -3.638) 8.304 6.727 ( -3.318 0.943 -3.284) 4.762 6.943 ( 0.989 2.843 -4.709) 5.589 7.139 ( 0.257 1.679 -8.874) 9.035 7.312 ( 2.165 -2.683 0.338) 3.464 7.558 ( -5.807 0.180 -2.821) 6.459 7.729 ( 2.373 -0.617 1.523) 2.886 7.935 ( -0.364 0.585 -3.166) 3.240======================= Grid point 293 (136/196) =======================q-point: ( 0.70 -0.30 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 195Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.163 ( -1.457 -0.000 4.487) 4.717 1.612 ( -5.596 -0.000 1.983) 5.937 1.673 ( -13.540 -0.000 -3.326) 13.942 1.874 ( 14.324 0.000 2.048) 14.469 1.960 ( 8.222 0.000 6.376) 10.404 2.139 ( 3.164 0.000 4.621) 5.600 2.193 ( 4.328 0.000 -5.392) 6.914 2.554 ( -2.269 -0.000 -1.864) 2.937 2.583 ( 11.757 0.000 6.181) 13.283 2.703 ( -5.110 -0.000 -2.204) 5.565 3.030 ( -7.031 -0.000 -7.699) 10.427 3.187 ( 1.383 0.000 5.542) 5.712 3.340 ( -2.558 -0.000 4.176) 4.897 3.402 ( 4.599 0.000 4.804) 6.650 3.484 ( 0.667 0.000 4.644) 4.692 3.563 ( 3.712 0.000 3.573) 5.152 3.787 ( 1.039 0.000 -4.765) 4.877 3.845 ( 6.087 0.000 -3.090) 6.827 3.987 ( 2.393 0.000 -2.433) 3.412 4.036 ( -6.565 -0.000 -0.378) 6.576 4.352 ( -2.480 -0.000 7.444) 7.846 4.408 ( 1.121 0.000 7.339) 7.424 4.531 ( 1.521 0.000 0.810) 1.723 4.799 ( -3.620 -0.000 0.581) 3.666 4.956 ( -1.143 -0.000 -0.450) 1.228 4.986 ( 2.654 0.000 6.562) 7.078 5.053 ( 5.660 0.000 -3.380) 6.592 5.263 ( -8.660 -0.000 -0.215) 8.663 5.334 ( 9.300 0.000 0.551) 9.316 5.520 ( 0.758 0.000 7.049) 7.089 5.727 ( -2.772 -0.000 3.760) 4.671 5.731 ( 2.676 0.000 2.277) 3.514 5.987 ( 1.304 0.000 -1.431) 1.936 6.086 ( 3.981 0.000 2.888) 4.918 6.754 ( -2.897 -0.000 -4.706) 5.527 6.776 ( -0.787 -0.000 -1.610) 1.792 6.987 ( -1.460 -0.000 -7.852) 7.987 7.094 ( 4.817 0.000 0.452) 4.839 7.332 ( -5.232 -0.000 -5.110) 7.314 7.660 ( -4.272 -0.000 -2.476) 4.938 7.694 ( 0.540 0.000 1.312) 1.419 7.979 ( -3.577 -0.000 -3.147) 4.764======================= Grid point 295 (137/196) =======================q-point: (-0.20 -0.30 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 350Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.106 ( -6.702 -0.634 -0.404) 6.744 1.418 ( -7.188 7.565 1.393) 10.528 1.504 ( -8.948 -8.464 1.816) 12.450 1.996 ( 2.542 0.165 7.042) 7.489 2.171 ( 4.895 2.299 0.153) 5.410 2.218 ( 4.730 -2.084 4.460) 6.827 2.364 ( 13.374 0.238 -7.398) 15.286 2.483 ( -0.368 -0.354 -0.375) 0.633 2.580 ( -4.933 -0.729 0.516) 5.013 2.825 ( -0.440 -0.171 3.970) 3.998 2.894 ( 4.096 1.900 -6.288) 7.742 3.177 ( -4.992 -0.919 12.261) 13.270 3.311 ( -0.241 -1.194 1.961) 2.309 3.393 ( -3.967 0.460 4.216) 5.808 3.420 ( -7.786 0.021 0.325) 7.793 3.637 ( 3.178 0.016 0.691) 3.252 3.797 ( 0.413 -0.906 -2.170) 2.387 3.807 ( -7.711 1.677 -5.143) 9.419 4.047 ( 6.596 2.542 0.257) 7.074 4.076 ( 5.154 -2.321 0.639) 5.689 4.290 ( -3.753 2.073 4.931) 6.534 4.444 ( 1.156 -2.378 7.005) 7.488 4.552 ( -0.315 5.665 -0.787) 5.728 4.655 ( -7.107 -7.209 -7.847) 12.808 5.001 ( 0.157 3.953 3.719) 5.430 5.033 ( 3.320 -1.025 5.611) 6.599 5.153 ( -0.714 0.791 5.462) 5.565 5.190 ( 8.073 -0.764 -3.048) 8.663 5.499 ( 7.818 -0.031 3.747) 8.669 5.527 ( -1.386 -0.443 8.496) 8.620 5.668 ( -2.482 -0.023 -3.378) 4.192 5.800 ( 4.052 -1.270 0.360) 4.261 5.993 ( -0.336 -0.020 0.834) 0.900 6.190 ( 5.865 -0.267 7.475) 9.505 6.659 ( -7.227 -0.417 -4.095) 8.317 6.735 ( -3.279 0.391 -3.175) 4.581 6.968 ( 0.536 1.413 -5.637) 5.836 7.149 ( 0.758 0.326 -7.977) 8.020 7.292 ( 1.892 -1.035 0.623) 2.245 7.559 ( -6.027 0.043 -2.890) 6.684 7.724 ( 2.412 -0.228 1.599) 2.903 7.939 ( -0.651 0.220 -3.183) 3.256======================= Grid point 296 (138/196) =======================q-point: (-0.10 -0.30 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 350Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.934 ( -10.834 -4.240 0.816) 11.663 1.302 ( -6.506 -2.677 2.296) 7.401 1.470 ( 2.569 -2.807 -0.592) 3.851 1.969 ( -12.881 -1.938 0.773) 13.049 2.076 ( -1.852 5.040 5.993) 8.047 2.278 ( -0.386 -2.724 6.103) 6.695 2.488 ( -4.196 0.535 -3.538) 5.515 2.588 ( 6.860 6.626 -6.199) 11.375 2.634 ( 7.165 1.361 0.685) 7.325 2.705 ( 4.585 -1.603 -2.942) 5.678 3.016 ( -9.968 1.394 12.037) 15.691 3.083 ( 3.801 -1.182 6.923) 7.985 3.239 ( -10.600 -2.742 1.081) 11.002 3.295 ( -3.479 3.541 1.864) 5.302 3.366 ( 1.802 -4.876 4.091) 6.615 3.630 ( -7.624 3.342 -3.619) 9.077 3.654 ( -2.849 -0.449 -2.165) 3.606 3.822 ( 1.262 -3.198 0.430) 3.465 4.073 ( -2.977 2.837 0.995) 4.231 4.171 ( 2.154 -1.767 -2.015) 3.438 4.258 ( 3.344 4.369 3.226) 6.378 4.483 ( 1.557 -0.482 -1.636) 2.309 4.495 ( 0.198 -1.998 2.420) 3.144 4.639 ( -1.206 -5.901 -1.971) 6.337 4.933 ( -3.581 1.693 -0.003) 3.961 5.117 ( 4.049 1.882 7.739) 8.935 5.194 ( 3.681 2.101 4.470) 6.160 5.347 ( 8.941 2.229 -2.806) 9.633 5.488 ( -3.256 -0.980 5.689) 6.628 5.618 ( 3.965 1.438 2.978) 5.163 5.655 ( 1.751 -1.986 -1.915) 3.268 5.851 ( 0.229 0.396 -3.199) 3.231 6.013 ( 2.546 -1.803 5.312) 6.160 6.297 ( 4.475 -0.382 7.435) 8.686 6.495 ( -9.978 -0.947 -2.948) 10.447 6.653 ( -4.728 0.762 -4.048) 6.271 6.971 ( 1.118 2.679 -4.375) 5.251 7.146 ( 1.308 -0.581 -10.926) 11.019 7.375 ( 5.148 -1.129 2.849) 5.991 7.451 ( -5.145 -0.281 -2.882) 5.904 7.782 ( 3.340 -0.435 1.629) 3.741 7.937 ( 0.632 -0.134 -3.624) 3.681======================= Grid point 305 (139/196) =======================q-point: (-0.20 -0.20 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.911 ( -12.511 -0.000 0.157) 12.512 1.287 ( -8.772 -0.000 2.961) 9.258 1.455 ( 4.579 0.000 -1.192) 4.732 1.959 ( -12.341 -0.000 1.233) 12.402 2.106 ( -2.865 -0.000 5.042) 5.799 2.260 ( -0.088 -0.000 6.427) 6.428 2.491 ( -4.698 -0.000 -3.689) 5.973 2.622 ( 12.783 0.000 -0.363) 12.788 2.651 ( 13.872 0.000 -5.996) 15.113 2.689 ( -5.618 -0.000 -1.118) 5.728 3.017 ( -13.506 -0.000 15.625) 20.653 3.089 ( 8.513 0.000 4.345) 9.558 3.219 ( -12.878 -0.000 -1.253) 12.939 3.325 ( -3.402 -0.000 2.805) 4.409 3.329 ( 2.112 0.000 3.457) 4.051 3.646 ( -3.017 -0.000 0.515) 3.061 3.655 ( -7.920 -0.000 -5.042) 9.389 3.804 ( 0.800 0.000 0.238) 0.835 4.091 ( -0.870 -0.000 2.450) 2.600 4.158 ( 1.342 0.000 -4.116) 4.329 4.286 ( 2.012 0.000 2.480) 3.194 4.458 ( 0.319 0.000 8.136) 8.142 4.510 ( -0.076 -0.000 -9.100) 9.100 4.600 ( 0.758 0.000 0.465) 0.889 4.942 ( -4.172 -0.000 -0.606) 4.215 5.128 ( 4.355 0.000 8.356) 9.423 5.205 ( 4.029 0.000 4.260) 5.863 5.358 ( 9.936 0.000 -2.771) 10.315 5.483 ( -3.754 -0.000 6.808) 7.774 5.626 ( 5.719 0.000 5.295) 7.794 5.643 ( -0.118 -0.000 -4.937) 4.938 5.852 ( 0.769 0.000 -3.037) 3.133 6.004 ( 2.384 0.000 5.141) 5.667 6.295 ( 4.525 0.000 7.735) 8.961 6.490 ( -10.167 -0.000 -3.171) 10.650 6.658 ( -4.690 -0.000 -4.016) 6.174 6.987 ( 1.584 0.000 -4.180) 4.470 7.143 ( 0.371 0.000 -11.813) 11.819 7.369 ( 5.566 0.000 3.719) 6.694 7.449 ( -5.292 -0.000 -3.088) 6.127 7.780 ( 3.322 0.000 1.613) 3.693 7.936 ( 0.401 0.000 -3.526) 3.549======================= Grid point 306 (140/196) =======================q-point: (-0.10 -0.20 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 350Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.716 ( -9.223 -5.893 5.143) 12.093 1.156 ( -6.809 -2.534 5.333) 9.013 1.569 ( 6.816 -0.101 -3.174) 7.520 1.631 ( -20.028 -0.613 3.187) 20.289 2.107 ( -0.097 3.626 3.654) 5.148 2.178 ( -8.560 -2.625 1.820) 9.137 2.416 ( -1.695 0.981 -4.494) 4.902 2.651 ( -5.024 7.442 8.700) 12.502 2.704 ( -7.980 -2.437 10.426) 13.353 2.801 ( 0.776 -1.676 4.540) 4.901 2.838 ( -2.614 0.850 -5.233) 5.911 3.043 ( 0.696 -1.656 0.049) 1.797 3.175 ( -0.697 -1.237 4.816) 5.021 3.242 ( -5.466 3.180 3.647) 7.300 3.389 ( 2.239 -2.579 3.747) 5.070 3.529 ( -5.234 1.853 -2.357) 6.032 3.544 ( -5.193 -1.125 -4.115) 6.721 3.840 ( 2.326 -2.337 2.198) 3.963 4.069 ( -0.474 6.316 -3.752) 7.362 4.131 ( -1.402 -5.153 -5.714) 7.821 4.336 ( 2.865 0.623 4.677) 5.520 4.492 ( 1.901 -2.729 7.561) 8.260 4.584 ( 4.988 2.879 -1.729) 6.013 4.616 ( 2.392 -3.042 -2.336) 4.520 4.879 ( -2.640 0.337 0.934) 2.821 5.182 ( 0.658 1.308 6.256) 6.425 5.277 ( 3.526 2.276 1.202) 4.366 5.410 ( -3.771 -0.695 0.599) 3.881 5.531 ( 7.935 2.131 -2.072) 8.474 5.636 ( -0.250 0.325 -4.157) 4.177 5.712 ( 2.062 -1.063 1.783) 2.925 5.844 ( 0.999 0.009 0.439) 1.092 6.064 ( 1.704 -0.462 4.262) 4.613 6.301 ( -7.650 -0.904 -3.829) 8.603 6.372 ( 1.289 -0.162 9.772) 9.858 6.566 ( -4.272 0.570 -3.570) 5.596 7.010 ( 1.844 3.124 -2.543) 4.430 7.156 ( 1.791 -2.781 -12.162) 12.604 7.369 ( -2.902 -0.100 -2.797) 4.031 7.486 ( 6.635 -0.025 4.381) 7.950 7.842 ( 3.080 -0.289 1.364) 3.381 7.946 ( 0.899 -0.811 -4.001) 4.180======================= Grid point 316 (141/196) =======================q-point: (-0.10 -0.10 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 195Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.593 ( -2.173 -0.000 12.722) 12.907 1.042 ( -5.975 -0.000 12.383) 13.750 1.312 ( -12.804 -0.000 8.485) 15.360 1.669 ( 3.349 0.000 -0.737) 3.429 1.983 ( -8.551 -0.000 -1.052) 8.616 2.130 ( -0.695 -0.000 -2.437) 2.534 2.283 ( -25.189 -0.000 22.429) 33.728 2.404 ( -0.595 -0.000 -6.469) 6.496 2.651 ( -11.622 -0.000 0.192) 11.624 2.781 ( -3.880 -0.000 4.965) 6.301 2.789 ( 4.037 0.000 2.942) 4.995 3.005 ( -12.035 -0.000 8.236) 14.584 3.156 ( 5.555 0.000 -4.414) 7.095 3.203 ( -2.154 -0.000 1.347) 2.541 3.402 ( -0.295 -0.000 -3.270) 3.283 3.410 ( -4.975 -0.000 0.987) 5.072 3.585 ( 7.328 0.000 -2.111) 7.626 3.888 ( 3.225 0.000 4.635) 5.647 4.031 ( -2.564 -0.000 -10.014) 10.337 4.150 ( 2.139 0.000 -2.838) 3.554 4.395 ( 3.346 0.000 7.074) 7.826 4.558 ( 5.154 0.000 6.339) 8.170 4.575 ( -2.214 -0.000 -3.412) 4.068 4.747 ( 7.664 0.000 0.137) 7.665 4.842 ( -1.775 -0.000 3.915) 4.299 5.156 ( -3.911 -0.000 4.400) 5.888 5.306 ( -7.435 -0.000 -5.919) 9.503 5.343 ( 2.510 0.000 -1.821) 3.101 5.595 ( -1.061 -0.000 0.729) 1.287 5.670 ( 3.030 0.000 -5.822) 6.564 5.693 ( -1.838 -0.000 -2.079) 2.775 5.906 ( 2.833 0.000 4.226) 5.088 6.047 ( -2.693 -0.000 0.222) 2.702 6.218 ( 0.373 0.000 2.671) 2.697 6.394 ( 0.067 0.000 7.107) 7.107 6.514 ( -1.188 -0.000 -1.563) 1.964 7.053 ( 1.067 0.000 -0.081) 1.070 7.163 ( 1.501 0.000 -14.360) 14.438 7.349 ( 1.322 0.000 -0.720) 1.505 7.625 ( 7.788 0.000 4.145) 8.822 7.889 ( 1.937 0.000 0.947) 2.157 7.953 ( 0.673 0.000 -4.246) 4.299======================= Grid point 317 (142/196) =======================q-point: ( 0.00 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.220 ( 9.851 0.000 16.499) 19.216 1.392 ( -5.402 -0.000 4.346) 6.933 1.669 ( 5.399 0.000 12.130) 13.278 1.741 ( -1.028 -0.000 -2.950) 3.124 1.756 ( 2.095 0.000 -4.020) 4.533 1.867 ( -0.437 -0.000 -1.950) 1.999 2.140 ( 3.547 0.000 -2.936) 4.604 2.149 ( -9.761 -0.000 -0.530) 9.776 2.214 ( 1.399 0.000 14.934) 14.999 2.511 ( -6.061 -0.000 -10.765) 12.354 2.773 ( 0.094 0.000 6.241) 6.242 2.874 ( 0.553 0.000 -2.931) 2.982 3.228 ( 1.917 0.000 0.866) 2.103 3.260 ( 4.886 0.000 -1.535) 5.122 3.364 ( -2.106 -0.000 1.394) 2.526 3.396 ( 2.920 0.000 -1.705) 3.381 3.859 ( 6.077 0.000 -0.143) 6.079 3.880 ( -9.900 -0.000 -1.915) 10.083 4.093 ( 6.253 0.000 5.842) 8.558 4.217 ( -4.473 -0.000 -5.003) 6.711 4.376 ( 6.404 0.000 6.117) 8.856 4.501 ( -10.635 -0.000 -4.769) 11.655 4.663 ( 3.670 0.000 2.917) 4.688 4.741 ( -4.050 -0.000 -4.456) 6.021 5.024 ( -1.991 -0.000 10.293) 10.484 5.122 ( 3.079 0.000 1.949) 3.644 5.252 ( 5.543 0.000 2.314) 6.006 5.282 ( -1.959 -0.000 -2.293) 3.016 5.468 ( -1.804 -0.000 -2.572) 3.142 5.508 ( -3.508 -0.000 -4.787) 5.935 5.657 ( -2.858 -0.000 3.607) 4.602 5.741 ( 1.515 0.000 -3.194) 3.535 6.204 ( -2.067 -0.000 9.190) 9.420 6.307 ( -2.589 -0.000 -0.510) 2.639 6.571 ( 3.211 0.000 0.827) 3.316 6.633 ( 4.819 0.000 0.562) 4.852 6.880 ( 3.450 0.000 -9.690) 10.286 6.886 ( -4.803 -0.000 -5.102) 7.007 7.657 ( 4.619 0.000 5.226) 6.975 7.751 ( -1.765 -0.000 -3.395) 3.827 7.882 ( -3.286 -0.000 -0.425) 3.314 7.895 ( 1.570 0.000 -1.774) 2.369======================= Grid point 318 (143/196) =======================q-point: ( 0.10 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 350Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.229 ( -9.675 -0.257 0.150) 9.679 1.415 ( 9.213 -1.818 13.695) 16.605 1.684 ( -2.359 1.910 4.436) 5.375 1.715 ( -0.906 -0.039 -4.665) 4.752 1.813 ( -3.517 0.437 -7.771) 8.541 1.862 ( 3.017 -3.641 -3.987) 6.184 2.028 ( -0.365 0.788 1.152) 1.443 2.257 ( 9.089 0.915 5.222) 10.522 2.440 ( 16.804 -1.687 17.469) 24.298 2.559 ( 11.326 -1.677 -4.465) 12.290 2.872 ( 9.369 0.217 4.904) 10.577 2.933 ( 5.273 -0.587 -2.425) 5.834 3.247 ( -0.404 4.638 -4.193) 6.265 3.291 ( -2.615 -1.507 -2.051) 3.649 3.366 ( 4.406 1.306 -4.561) 6.475 3.465 ( 4.657 -2.220 -2.377) 5.681 3.693 ( -9.948 -0.922 -0.019) 9.990 3.944 ( 0.679 -0.362 4.043) 4.116 4.080 ( -6.505 0.782 -5.266) 8.406 4.130 ( -4.395 -1.243 2.117) 5.034 4.348 ( -2.614 -0.362 0.852) 2.773 4.521 ( 5.984 -0.278 8.367) 10.290 4.662 ( -3.438 1.079 -4.236) 5.561 4.710 ( 1.158 0.275 3.292) 3.500 4.960 ( -4.844 0.793 8.223) 9.577 5.158 ( 0.700 -0.469 1.276) 1.529 5.245 ( -0.563 1.730 -2.500) 3.092 5.315 ( -0.819 1.314 -5.198) 5.424 5.466 ( -0.333 3.851 -0.742) 3.936 5.499 ( 5.524 -1.732 4.665) 7.435 5.618 ( -1.435 -2.089 5.320) 5.893 5.767 ( 0.616 -1.376 -2.918) 3.284 6.151 ( -3.253 1.733 11.725) 12.290 6.227 ( -5.609 -0.502 -0.151) 5.633 6.622 ( 1.872 0.990 -3.817) 4.365 6.707 ( 3.449 0.480 -6.449) 7.330 6.812 ( -2.074 0.020 -3.444) 4.020 6.961 ( 5.347 -0.048 -5.462) 7.644 7.658 ( -7.186 1.420 -4.541) 8.618 7.709 ( 1.185 1.104 2.043) 2.607 7.825 ( -2.869 -0.959 1.279) 3.284 7.928 ( 0.575 -3.553 -0.717) 3.670======================= Grid point 319 (144/196) =======================q-point: ( 0.20 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 352Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.107 ( -3.504 -2.285 -1.876) 4.585 1.531 ( -3.216 -3.487 -2.953) 5.587 1.606 ( -3.414 1.016 -2.331) 4.257 1.729 ( 4.057 -4.378 7.573) 9.642 1.796 ( 5.660 4.156 -3.113) 7.681 1.911 ( 3.340 -2.588 -5.726) 7.116 2.129 ( 7.651 -1.993 5.711) 9.753 2.445 ( 10.123 2.269 9.367) 13.978 2.743 ( 10.741 2.261 8.009) 13.588 2.824 ( 14.044 -0.802 -2.826) 14.348 2.991 ( 4.225 2.446 0.647) 4.924 3.106 ( -1.368 2.883 2.477) 4.039 3.129 ( 6.783 -1.083 0.242) 6.873 3.284 ( 1.079 0.771 -5.890) 6.038 3.440 ( 5.107 1.998 -11.380) 12.633 3.557 ( -3.964 -2.455 2.380) 5.235 3.577 ( 4.280 -2.748 -2.288) 5.577 3.805 ( -11.722 -0.261 4.173) 12.445 3.988 ( -4.502 -2.367 -5.331) 7.368 4.123 ( 2.083 -0.951 4.006) 4.614 4.355 ( 1.045 -0.984 5.318) 5.508 4.574 ( -1.786 -0.598 5.194) 5.525 4.607 ( -1.237 1.834 -2.954) 3.690 4.729 ( 1.105 -1.210 2.396) 2.902 4.903 ( -0.856 1.228 10.273) 10.382 5.147 ( -2.666 -0.130 -4.299) 5.060 5.217 ( -1.633 2.966 -0.916) 3.507 5.271 ( -1.659 -2.368 -1.957) 3.491 5.419 ( -0.282 10.377 2.109) 10.593 5.584 ( 1.303 -3.081 0.244) 3.354 5.708 ( 7.803 -0.702 10.671) 13.239 5.763 ( -1.603 -3.390 -1.800) 4.160 6.098 ( -2.964 2.969 4.696) 6.297 6.144 ( -2.483 -0.716 5.550) 6.122 6.623 ( 0.564 1.831 -7.436) 7.678 6.745 ( 1.458 -0.455 -8.370) 8.508 6.792 ( -0.457 0.174 -2.220) 2.273 7.045 ( 3.930 0.890 -2.666) 4.832 7.496 ( -9.010 -0.709 -4.095) 9.922 7.702 ( -1.100 1.355 -0.676) 1.872 7.788 ( -1.915 -0.310 2.651) 3.285 7.939 ( -1.521 -3.883 -1.012) 4.291======================= Grid point 320 (145/196) =======================q-point: ( 0.30 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 350Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.124 ( 2.663 -5.830 -2.517) 6.886 1.428 ( -7.693 -5.229 -5.625) 10.870 1.549 ( -0.904 -0.998 -5.774) 5.929 1.887 ( 8.926 1.102 5.092) 10.335 1.939 ( 10.109 0.891 10.207) 14.393 2.019 ( 7.860 0.899 -6.412) 10.183 2.295 ( 7.191 -5.674 3.839) 9.932 2.542 ( -2.870 2.265 7.873) 8.681 2.723 ( -2.736 12.284 -2.590) 12.848 2.944 ( -0.836 2.688 0.721) 2.906 2.973 ( -2.686 -0.184 -1.692) 3.180 3.171 ( 8.625 -2.604 -0.773) 9.043 3.293 ( 2.478 5.403 -6.153) 8.556 3.351 ( 9.571 -3.024 3.449) 10.613 3.528 ( 3.138 -3.344 4.912) 6.720 3.560 ( 5.980 4.003 -6.758) 9.872 3.613 ( -3.090 -4.540 4.223) 6.928 3.695 ( -0.024 -2.059 -5.477) 5.852 3.920 ( -3.728 -2.024 -1.299) 4.436 4.132 ( -1.948 -0.565 3.933) 4.425 4.427 ( 4.868 -1.494 5.243) 7.309 4.498 ( -5.755 -2.416 2.000) 6.554 4.585 ( -0.340 1.861 -0.773) 2.044 4.764 ( 0.984 -2.528 -1.323) 3.018 4.934 ( 2.977 0.901 12.171) 12.562 5.045 ( -5.810 0.787 -8.224) 10.100 5.197 ( -0.040 1.369 4.772) 4.965 5.252 ( -2.116 -0.534 0.465) 2.232 5.390 ( 3.543 8.609 3.289) 9.874 5.623 ( 1.223 -2.645 0.963) 3.069 5.701 ( -4.041 -1.198 -3.110) 5.238 5.861 ( 3.349 0.514 7.874) 8.572 6.062 ( 2.437 0.834 1.417) 2.939 6.145 ( 0.893 1.074 8.645) 8.757 6.630 ( 2.128 2.700 -7.155) 7.938 6.748 ( -0.594 -1.942 -8.460) 8.700 6.776 ( -1.025 0.380 -2.463) 2.695 7.065 ( -1.884 -0.286 -2.769) 3.361 7.366 ( -4.197 -0.649 -1.763) 4.598 7.657 ( -3.038 0.412 -2.804) 4.155 7.763 ( -0.997 0.272 3.326) 3.483 7.916 ( -2.570 -2.706 -1.664) 4.086======================= Grid point 321 (146/196) =======================q-point: ( 0.40 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 352Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.218 ( 3.298 -5.461 -0.968) 6.452 1.311 ( -6.625 -2.352 -2.490) 7.458 1.596 ( 4.265 -4.612 -4.353) 7.642 2.053 ( 8.524 1.454 5.469) 10.231 2.108 ( 6.821 2.148 8.383) 11.019 2.157 ( 8.481 3.133 -3.817) 9.814 2.342 ( -7.833 6.017 1.607) 10.007 2.446 ( 1.971 -6.499 -0.128) 6.793 2.627 ( -4.660 4.219 -2.078) 6.620 2.823 ( -11.242 -0.172 -6.276) 12.876 2.973 ( 6.516 4.724 9.081) 12.134 3.308 ( 5.992 1.761 -1.767) 6.491 3.338 ( 3.431 0.129 -3.045) 4.589 3.476 ( 1.353 -1.387 3.625) 4.110 3.533 ( -1.659 -1.805 5.302) 5.842 3.599 ( -2.704 -2.302 -0.530) 3.590 3.655 ( -1.526 -2.639 -5.490) 6.280 3.712 ( 5.106 2.032 -7.280) 9.121 3.921 ( 4.428 -1.236 5.091) 6.859 4.118 ( 0.834 0.463 4.254) 4.360 4.367 ( -7.758 -4.490 -0.456) 8.975 4.537 ( -3.373 0.100 0.284) 3.387 4.575 ( 5.104 0.322 2.734) 5.799 4.779 ( 0.737 1.176 -3.173) 3.463 4.961 ( -2.247 -0.968 -3.772) 4.496 5.000 ( 2.657 -0.257 8.841) 9.235 5.182 ( -0.664 3.589 3.648) 5.160 5.223 ( -0.870 -2.118 1.625) 2.808 5.470 ( 6.937 2.479 6.107) 9.569 5.626 ( -3.452 0.510 -5.044) 6.134 5.653 ( 0.404 -2.072 2.060) 2.949 5.845 ( -2.278 2.884 0.992) 3.806 6.163 ( 1.045 2.232 8.418) 8.772 6.176 ( 7.146 -0.362 3.635) 8.025 6.639 ( 0.702 2.425 -6.350) 6.833 6.728 ( -2.826 -0.380 -2.192) 3.596 6.767 ( 1.312 -1.925 -6.640) 7.037 6.986 ( -5.761 -2.569 -4.536) 7.769 7.348 ( 1.597 1.414 1.501) 2.608 7.584 ( -4.545 -0.536 -3.727) 5.902 7.758 ( 0.413 0.489 3.357) 3.417 7.879 ( -2.108 -1.371 -2.526) 3.565======================= Grid point 322 (147/196) =======================q-point: (-0.50 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 350Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.204 ( -3.997 4.655 3.550) 7.088 1.291 ( 1.826 -3.617 -2.279) 4.649 1.654 ( -2.216 1.153 -0.077) 2.499 2.092 ( -0.347 -1.258 3.031) 3.300 2.182 ( 2.127 0.610 1.066) 2.456 2.253 ( 0.047 0.259 1.703) 1.723 2.341 ( 6.954 1.950 -2.396) 7.610 2.478 ( 2.727 -2.472 0.922) 3.794 2.526 ( -5.746 0.940 -3.091) 6.592 2.646 ( -4.717 -1.376 -3.739) 6.174 3.125 ( 9.825 3.171 11.370) 15.358 3.296 ( -7.367 -2.057 -0.962) 7.709 3.378 ( -1.836 0.974 -0.817) 2.233 3.463 ( -0.601 0.079 1.767) 1.868 3.476 ( -3.341 1.979 0.850) 3.975 3.581 ( 1.465 -1.545 -1.566) 2.643 3.628 ( -3.487 -6.023 1.561) 7.133 3.762 ( 2.729 5.588 -7.103) 9.441 4.053 ( 5.727 -0.038 3.296) 6.608 4.153 ( 1.467 -0.058 1.471) 2.078 4.273 ( -3.311 -5.540 1.737) 6.683 4.437 ( -4.473 1.719 -1.268) 4.957 4.645 ( 2.036 2.351 1.413) 3.416 4.769 ( -0.429 5.011 1.996) 5.411 4.939 ( -1.718 -2.416 -2.289) 3.745 5.060 ( 2.947 -2.289 2.667) 4.587 5.182 ( 2.163 0.255 0.554) 2.248 5.232 ( 0.092 -1.576 3.069) 3.451 5.548 ( -1.720 -2.322 0.931) 3.036 5.606 ( 2.914 0.794 -0.590) 3.077 5.670 ( 1.867 0.568 2.952) 3.538 5.793 ( -1.289 1.620 -2.018) 2.891 6.170 ( 0.568 2.938 7.833) 8.385 6.284 ( 3.452 -0.486 -0.927) 3.607 6.627 ( -0.386 1.573 0.102) 1.623 6.653 ( -5.111 -0.934 -1.449) 5.393 6.795 ( 0.059 -1.826 -5.862) 6.140 6.930 ( 0.460 -1.018 -6.156) 6.256 7.386 ( 2.519 1.128 2.640) 3.819 7.499 ( -4.078 -0.421 -2.108) 4.610 7.781 ( 2.010 0.594 2.704) 3.421 7.854 ( -0.838 -0.611 -3.544) 3.693======================= Grid point 323 (148/196) =======================q-point: (-0.40 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 352Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.109 ( -3.025 10.198 6.737) 12.591 1.324 ( 0.936 1.094 -1.613) 2.162 1.533 ( -4.797 5.836 1.547) 7.711 2.044 ( -13.231 0.386 4.651) 14.029 2.130 ( -1.149 -2.334 1.425) 2.966 2.287 ( -8.005 -5.092 -9.264) 13.260 2.359 ( 6.890 -7.096 -0.775) 9.921 2.455 ( -1.910 2.560 0.255) 3.204 2.623 ( 7.946 -1.043 -2.264) 8.328 2.699 ( 8.961 -1.059 4.566) 10.113 3.144 ( -9.249 -2.547 -3.547) 10.228 3.225 ( -1.900 -1.494 6.997) 7.403 3.283 ( -5.913 1.363 1.934) 6.369 3.384 ( -1.393 1.873 4.123) 4.738 3.519 ( 0.108 -0.114 6.791) 6.793 3.572 ( -2.782 1.445 4.242) 5.275 3.602 ( -0.633 -0.527 -2.722) 2.844 3.765 ( 2.328 4.497 -7.998) 9.467 4.029 ( -5.801 -0.540 -3.513) 6.803 4.156 ( -1.759 -0.305 -0.916) 2.006 4.354 ( 8.280 -0.220 1.477) 8.414 4.427 ( 2.988 -1.273 6.937) 7.660 4.631 ( -1.308 3.514 -1.596) 4.075 4.720 ( -1.504 5.682 4.507) 7.407 4.911 ( -1.666 -0.529 -0.378) 1.789 5.131 ( 2.489 -3.386 -2.251) 4.767 5.241 ( 0.406 -1.169 1.347) 1.829 5.252 ( 3.181 -4.490 -3.336) 6.435 5.510 ( -3.802 -1.361 0.738) 4.105 5.615 ( 0.013 -1.021 -0.712) 1.244 5.697 ( 0.455 2.882 -3.375) 4.462 5.824 ( 4.286 -1.755 2.852) 5.438 6.164 ( -0.921 1.913 5.047) 5.475 6.298 ( -1.241 0.545 -4.650) 4.844 6.562 ( -4.727 -1.929 1.141) 5.232 6.612 ( -1.011 1.738 6.322) 6.634 6.789 ( -0.521 -3.810 -7.552) 8.475 6.988 ( 5.801 3.380 -4.694) 8.192 7.382 ( -3.034 -0.750 -1.610) 3.516 7.492 ( 3.519 0.587 4.547) 5.780 7.826 ( 2.740 0.698 1.197) 3.071 7.849 ( 0.629 0.013 -3.598) 3.653======================= Grid point 324 (149/196) =======================q-point: (-0.30 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 350Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.994 ( -3.056 12.443 8.532) 15.394 1.312 ( 0.847 4.975 5.316) 7.330 1.512 ( 3.733 0.954 -1.787) 4.247 1.776 ( -14.862 1.337 8.557) 17.202 2.064 ( -7.106 -3.825 -4.333) 9.160 2.135 ( -7.056 1.495 -7.042) 10.080 2.364 ( -5.302 1.518 -1.359) 5.680 2.591 ( 8.415 -14.328 2.604) 16.819 2.730 ( 0.840 -1.899 -3.911) 4.428 2.850 ( 3.636 -0.164 3.857) 5.303 2.980 ( -10.212 -2.125 5.483) 11.784 3.141 ( -3.313 5.877 1.457) 6.903 3.207 ( -3.229 -6.250 1.641) 7.223 3.335 ( -5.421 1.483 4.183) 7.006 3.408 ( -8.804 -1.762 2.866) 9.425 3.565 ( 1.580 5.389 5.098) 7.585 3.579 ( -2.175 3.199 1.517) 4.155 3.803 ( 5.166 3.327 -8.445) 10.444 3.932 ( -3.212 0.803 -3.664) 4.938 4.138 ( 0.458 -0.084 1.731) 1.793 4.474 ( -0.916 -0.893 4.488) 4.667 4.519 ( 7.876 -0.853 -0.701) 7.953 4.593 ( 0.303 2.583 -2.028) 3.298 4.690 ( 1.439 4.395 5.110) 6.892 4.905 ( 1.412 0.413 3.295) 3.609 5.158 ( -1.421 -3.119 -6.677) 7.506 5.256 ( 1.066 -1.127 -0.674) 1.691 5.302 ( -2.295 -3.991 -4.876) 6.706 5.452 ( -2.286 -6.753 -1.789) 7.350 5.626 ( -0.546 -0.336 0.928) 1.128 5.698 ( 3.133 4.444 -3.029) 6.224 5.916 ( 4.097 -0.766 2.598) 4.912 6.107 ( -4.764 0.599 -1.078) 4.921 6.253 ( -1.528 1.472 -1.931) 2.869 6.518 ( -2.074 -3.387 3.280) 5.151 6.586 ( -1.380 1.531 6.928) 7.229 6.809 ( 0.635 -4.719 -7.249) 8.673 7.064 ( 4.453 5.270 -2.848) 7.464 7.343 ( -0.180 0.267 0.183) 0.370 7.579 ( 4.899 -0.849 4.385) 6.629 7.853 ( 1.173 0.361 -4.589) 4.751 7.883 ( 2.863 1.550 1.238) 3.483======================= Grid point 325 (150/196) =======================q-point: (-0.20 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 352Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.934 ( 2.232 6.939 11.991) 14.033 1.353 ( 5.583 4.608 12.636) 14.563 1.522 ( -9.130 0.408 9.540) 13.211 1.626 ( 5.420 1.553 -0.632) 5.673 1.944 ( -6.843 -3.745 -1.872) 8.023 1.989 ( -6.983 2.605 -10.701) 13.041 2.257 ( -5.265 0.049 -6.432) 8.312 2.610 ( -11.746 -0.638 -5.072) 12.810 2.678 ( -16.153 -2.314 12.302) 20.435 2.793 ( 0.068 -8.034 1.333) 8.144 2.897 ( -2.715 -0.208 7.968) 8.421 3.126 ( -10.921 0.753 1.232) 11.016 3.142 ( -0.660 -0.775 -1.498) 1.811 3.183 ( -0.386 -0.169 3.487) 3.512 3.331 ( -1.655 2.179 -2.137) 3.472 3.491 ( -4.556 3.420 4.042) 6.985 3.616 ( 6.406 1.886 0.435) 6.692 3.905 ( 3.464 1.554 -0.184) 3.801 3.917 ( 7.153 1.907 -4.664) 8.750 4.136 ( -2.365 0.273 1.595) 2.866 4.461 ( 0.242 -0.608 -2.979) 3.049 4.551 ( -1.878 -1.077 2.275) 3.141 4.648 ( 3.543 1.958 -0.338) 4.062 4.747 ( 5.052 0.760 0.110) 5.110 4.959 ( 3.376 0.415 8.333) 9.001 5.105 ( -4.206 -1.802 -7.645) 8.910 5.227 ( -4.625 -2.099 -0.477) 5.101 5.284 ( 1.040 -1.197 -2.063) 2.602 5.489 ( -0.048 -9.596 -4.385) 10.551 5.602 ( -1.321 0.146 -0.164) 1.339 5.729 ( 2.500 7.144 -0.242) 7.572 5.903 ( -7.241 -0.151 -5.853) 9.312 6.080 ( 4.279 -0.036 3.163) 5.321 6.256 ( 2.438 -0.130 -0.079) 2.443 6.509 ( -1.243 -3.240 3.717) 5.085 6.566 ( -0.608 1.812 6.702) 6.969 6.835 ( -0.046 -5.055 -8.185) 9.620 7.064 ( -1.349 3.932 -3.417) 5.382 7.399 ( 6.340 1.452 4.232) 7.759 7.674 ( 3.981 -2.130 2.055) 4.960 7.868 ( 1.458 1.554 -4.693) 5.154 7.919 ( 1.854 2.054 0.930) 2.919======================= Grid point 326 (151/196) =======================q-point: (-0.10 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 350Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.032 ( 8.567 1.406 15.561) 17.819 1.414 ( -1.316 1.438 14.553) 14.683 1.500 ( 9.430 1.788 12.695) 15.915 1.719 ( 3.547 -0.108 -0.714) 3.620 1.836 ( -7.030 1.088 -11.153) 13.229 1.877 ( -1.682 -1.337 0.285) 2.168 2.159 ( -4.307 -0.409 -9.161) 10.131 2.354 ( -16.119 1.128 14.578) 21.763 2.377 ( -13.353 -0.389 -3.518) 13.814 2.699 ( -11.115 -0.627 -6.450) 12.867 2.827 ( -4.987 0.220 5.808) 7.658 2.945 ( -7.327 0.207 -1.997) 7.597 3.171 ( 2.761 -3.488 2.130) 4.932 3.200 ( 1.353 1.184 3.792) 4.197 3.344 ( 3.215 0.865 -1.951) 3.859 3.410 ( -3.044 1.498 2.854) 4.433 3.742 ( 7.307 1.278 -2.585) 7.856 3.966 ( 5.684 0.650 3.602) 6.760 4.040 ( -6.625 -0.154 -2.965) 7.260 4.108 ( 10.816 0.380 2.624) 11.137 4.417 ( -5.338 -0.001 -4.321) 6.868 4.580 ( 3.703 -1.689 3.331) 5.259 4.648 ( -3.273 1.208 -2.945) 4.566 4.796 ( -0.516 -0.411 -4.378) 4.427 5.015 ( 1.532 0.127 10.929) 11.036 5.064 ( 0.892 -1.003 -1.232) 1.822 5.192 ( 0.113 -1.186 2.271) 2.565 5.299 ( 0.058 -0.852 -2.127) 2.292 5.500 ( -2.100 -3.791 -3.954) 5.866 5.588 ( -1.748 -0.146 -3.502) 3.917 5.698 ( -2.116 3.154 1.893) 4.244 5.765 ( -4.306 1.097 -5.645) 7.184 6.178 ( 4.030 -0.398 5.334) 6.697 6.311 ( 1.982 -0.728 -1.342) 2.502 6.527 ( 0.819 -3.270 4.384) 5.530 6.563 ( 2.010 2.969 5.238) 6.348 6.847 ( 0.099 -3.913 -10.036) 10.772 6.987 ( -4.211 2.893 -4.638) 6.900 7.536 ( 7.563 0.305 6.359) 9.885 7.742 ( 1.712 -2.694 -0.961) 3.334 7.879 ( 1.373 2.411 -3.648) 4.583 7.924 ( -0.378 1.941 -0.072) 1.979======================= Grid point 328 (152/196) =======================q-point: ( 0.10 0.10 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 195Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.094 ( -4.136 -0.000 -2.546) 4.857 1.512 ( -3.440 -0.000 -3.160) 4.671 1.613 ( -4.816 -0.000 -2.346) 5.357 1.700 ( 4.875 0.000 7.483) 8.931 1.833 ( 8.083 0.000 -11.687) 14.210 1.886 ( 2.531 0.000 2.588) 3.620 2.119 ( 6.665 0.000 6.266) 9.148 2.457 ( 10.011 0.000 9.054) 13.498 2.755 ( 13.803 0.000 10.934) 17.609 2.817 ( 14.160 0.000 -2.398) 14.362 3.010 ( 3.021 0.000 -1.238) 3.264 3.100 ( 12.990 0.000 2.891) 13.308 3.144 ( -9.157 -0.000 0.664) 9.181 3.286 ( 2.139 0.000 -6.979) 7.300 3.453 ( 4.562 0.000 -13.368) 14.124 3.549 ( -3.647 -0.000 4.037) 5.441 3.555 ( 5.539 0.000 -3.265) 6.430 3.804 ( -12.618 -0.000 4.032) 13.247 3.975 ( -4.342 -0.000 -5.431) 6.954 4.118 ( 1.872 0.000 4.165) 4.566 4.350 ( 1.087 0.000 5.562) 5.667 4.570 ( -1.862 -0.000 5.647) 5.946 4.617 ( -1.306 -0.000 -3.402) 3.645 4.722 ( 0.464 0.000 2.097) 2.148 4.909 ( -0.945 -0.000 10.716) 10.758 5.147 ( -2.456 -0.000 -4.344) 4.990 5.245 ( 0.180 0.000 -0.985) 1.002 5.245 ( -4.152 -0.000 -1.572) 4.440 5.506 ( 1.599 0.000 1.103) 1.943 5.538 ( -0.686 -0.000 1.924) 2.043 5.706 ( 9.212 0.000 11.583) 14.800 5.743 ( -1.957 -0.000 -3.476) 3.988 6.120 ( -5.155 -0.000 -0.920) 5.236 6.134 ( -0.492 -0.000 10.890) 10.901 6.634 ( 0.554 0.000 -6.723) 6.745 6.741 ( 0.970 0.000 -9.308) 9.358 6.794 ( -0.103 -0.000 -1.355) 1.358 7.049 ( 3.869 0.000 -3.385) 5.141 7.492 ( -9.433 -0.000 -4.485) 10.445 7.710 ( -1.391 -0.000 -0.611) 1.519 7.786 ( -1.653 -0.000 2.510) 3.006 7.917 ( -0.885 -0.000 -0.231) 0.915======================= Grid point 329 (153/196) =======================q-point: ( 0.20 0.10 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 350Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.081 ( 2.146 -2.231 -4.900) 5.796 1.390 ( -6.526 -1.853 -5.279) 8.596 1.541 ( -2.048 -0.435 -5.701) 6.073 1.882 ( 10.608 -0.757 7.841) 13.213 1.968 ( 7.669 2.677 6.467) 10.383 2.023 ( 11.174 -0.195 -7.610) 13.521 2.247 ( 5.928 -2.675 6.296) 9.052 2.557 ( -2.718 0.646 8.419) 8.870 2.843 ( -2.720 9.745 -2.085) 10.330 2.927 ( -2.349 -4.825 -2.847) 6.074 2.989 ( -2.333 1.533 4.229) 5.068 3.141 ( 7.619 -2.009 -3.975) 8.825 3.326 ( 9.942 -1.214 2.721) 10.379 3.341 ( 4.881 2.717 -4.125) 6.944 3.502 ( 3.835 -1.374 0.287) 4.084 3.575 ( -6.016 -2.117 7.008) 9.476 3.605 ( 7.322 3.525 -6.838) 10.621 3.669 ( 0.269 -2.485 -6.116) 6.607 3.905 ( -3.051 -0.761 -1.510) 3.488 4.126 ( -1.491 -0.387 4.926) 5.161 4.416 ( 5.447 -0.542 5.911) 8.056 4.479 ( -7.510 -1.023 2.085) 7.861 4.599 ( -0.693 0.688 -1.596) 1.871 4.745 ( 1.790 -0.910 -1.844) 2.726 4.943 ( 2.755 0.567 13.124) 13.422 5.051 ( -5.849 0.235 -9.284) 10.975 5.202 ( -1.258 -0.065 4.220) 4.404 5.248 ( -0.490 -0.096 3.202) 3.241 5.484 ( 0.931 8.763 2.520) 9.166 5.569 ( 0.243 -6.922 1.605) 7.110 5.701 ( -2.087 0.354 -4.064) 4.583 5.864 ( 4.688 0.155 8.311) 9.543 6.070 ( 1.538 0.491 0.724) 1.770 6.150 ( 1.066 0.085 8.114) 8.184 6.656 ( 2.996 1.725 -5.565) 6.551 6.730 ( -1.348 -1.243 -9.258) 9.438 6.780 ( -1.452 0.281 -1.644) 2.212 7.060 ( -3.218 -0.452 -4.327) 5.411 7.362 ( -3.111 -0.123 -1.672) 3.534 7.661 ( -3.618 0.184 -2.744) 4.545 7.765 ( -0.844 0.141 3.257) 3.368 7.894 ( -1.729 -1.114 -1.093) 2.330======================= Grid point 330 (154/196) =======================q-point: ( 0.30 0.10 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 350Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.164 ( 4.717 -3.930 -4.673) 7.716 1.306 ( -2.880 0.574 -0.248) 2.947 1.551 ( 2.676 -3.617 -5.037) 6.754 2.062 ( 7.457 0.558 5.538) 9.305 2.121 ( 8.018 0.497 7.496) 10.987 2.201 ( 9.530 4.717 -4.702) 11.626 2.373 ( 3.143 -3.867 2.572) 5.608 2.388 ( -9.829 -0.022 2.875) 10.241 2.692 ( -7.491 7.287 -3.660) 11.073 2.809 ( -11.056 -2.639 -5.626) 12.683 3.016 ( 6.109 3.059 8.658) 11.029 3.280 ( 5.184 -2.934 -2.404) 6.423 3.384 ( 3.403 4.235 -3.046) 6.228 3.461 ( 0.530 -1.130 3.614) 3.823 3.509 ( -0.439 -2.267 7.164) 7.527 3.568 ( -2.049 -2.834 -1.892) 3.976 3.636 ( -2.621 -0.859 -7.089) 7.607 3.743 ( 7.864 2.790 -6.658) 10.675 3.914 ( 5.012 -0.210 4.979) 7.068 4.117 ( 0.497 -0.379 5.277) 5.313 4.329 ( -8.848 -2.503 -0.060) 9.196 4.527 ( 0.385 -1.482 2.281) 2.747 4.583 ( 2.707 0.940 -0.020) 2.866 4.786 ( 2.489 0.222 -4.494) 5.142 4.955 ( -3.168 -0.201 -5.004) 5.926 5.004 ( 2.530 0.795 10.718) 11.041 5.192 ( -0.761 -1.638 4.123) 4.501 5.220 ( -2.077 1.775 3.337) 4.313 5.495 ( 2.773 2.307 5.272) 6.388 5.604 ( 0.593 -2.916 -1.138) 3.185 5.660 ( -0.994 1.456 -2.181) 2.805 5.870 ( -2.153 1.700 1.279) 3.027 6.173 ( 7.089 -0.162 3.430) 7.877 6.180 ( 1.503 1.028 7.053) 7.285 6.665 ( -1.031 1.923 -6.605) 6.956 6.721 ( -2.258 -0.697 -0.744) 2.478 6.755 ( 2.510 -0.233 -6.519) 6.989 6.957 ( -6.639 -2.598 -4.789) 8.589 7.363 ( 2.229 1.223 1.196) 2.810 7.578 ( -4.968 -0.534 -3.737) 6.240 7.763 ( 0.468 0.367 3.272) 3.326 7.867 ( -1.545 -0.895 -2.296) 2.908======================= Grid point 331 (155/196) =======================q-point: (-0.60 0.10 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 350Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.252 ( 2.510 1.418 -1.870) 3.436 1.277 ( 2.162 3.572 2.546) 4.890 1.636 ( 2.307 -4.139 -1.039) 4.851 2.086 ( -4.381 -0.007 3.752) 5.768 2.191 ( -0.099 1.031 0.997) 1.438 2.252 ( -3.373 -0.757 0.877) 3.566 2.350 ( 3.577 0.102 -4.535) 5.777 2.456 ( 5.364 -1.571 0.856) 5.655 2.546 ( -4.591 2.595 -1.346) 5.443 2.639 ( -4.489 -0.227 -1.876) 4.871 3.159 ( 8.737 2.862 9.288) 13.069 3.282 ( -6.550 -0.206 0.091) 6.554 3.365 ( -6.409 -2.798 -0.770) 7.036 3.456 ( 1.625 -2.190 -0.511) 2.775 3.489 ( -4.092 0.341 2.204) 4.660 3.559 ( 1.483 -2.516 -1.186) 3.152 3.601 ( 0.248 1.282 0.316) 1.343 3.823 ( 3.286 5.354 -6.628) 9.132 4.059 ( 6.685 1.040 4.025) 7.872 4.146 ( -0.065 -1.013 1.633) 1.922 4.216 ( -2.212 -5.072 4.140) 6.910 4.456 ( -4.165 1.654 -1.937) 4.882 4.662 ( 3.087 0.976 0.165) 3.242 4.810 ( 0.738 2.636 -1.738) 3.242 4.919 ( -1.355 -1.133 -0.839) 1.955 5.050 ( 2.382 0.393 4.781) 5.356 5.182 ( -0.699 -0.254 0.942) 1.201 5.206 ( -0.086 -2.962 3.574) 4.642 5.523 ( -0.998 -2.292 3.341) 4.173 5.617 ( 0.467 1.114 -3.908) 4.091 5.680 ( 4.074 1.056 3.985) 5.795 5.807 ( -3.252 1.113 -2.417) 4.202 6.198 ( 0.623 2.288 6.511) 6.929 6.279 ( 3.547 -0.424 -1.561) 3.898 6.638 ( -1.210 0.149 -1.345) 1.815 6.643 ( -4.653 -0.582 -0.402) 4.706 6.789 ( -1.115 0.895 -4.716) 4.928 6.911 ( 2.780 -2.507 -5.146) 6.364 7.403 ( 2.156 1.960 2.080) 3.579 7.490 ( -3.994 -1.250 -2.245) 4.749 7.787 ( 2.124 0.576 2.662) 3.454 7.848 ( -0.585 -0.561 -3.494) 3.586======================= Grid point 332 (156/196) =======================q-point: (-0.50 0.10 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 350Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.235 ( 1.263 13.347 6.716) 14.995 1.339 ( 3.812 1.596 -2.521) 4.840 1.592 ( -5.311 5.035 1.173) 7.411 2.039 ( -13.355 -1.812 4.377) 14.170 2.108 ( 1.665 -2.382 3.969) 4.919 2.181 ( -5.726 -11.175 -8.396) 15.105 2.319 ( -2.479 -2.137 -5.919) 6.764 2.488 ( -2.508 3.381 2.883) 5.102 2.620 ( 7.846 0.290 -2.103) 8.128 2.686 ( 8.824 -1.278 5.092) 10.268 3.118 ( -9.896 -2.237 -4.837) 11.239 3.186 ( -6.696 -4.665 3.243) 8.781 3.327 ( 0.080 5.698 4.580) 7.311 3.382 ( -6.697 -2.584 3.262) 7.885 3.498 ( 1.202 -1.678 6.731) 7.041 3.595 ( 0.548 -0.697 -2.613) 2.760 3.619 ( 2.869 5.380 4.049) 7.319 3.818 ( 1.256 5.204 -7.086) 8.881 4.026 ( -5.231 -0.134 -2.132) 5.651 4.144 ( -1.691 -1.716 -1.708) 2.953 4.347 ( 9.001 -1.230 7.331) 11.674 4.425 ( 2.297 0.891 2.460) 3.481 4.666 ( -1.098 2.836 -2.481) 3.925 4.778 ( -1.373 5.017 1.621) 5.448 4.905 ( -0.670 -0.386 1.454) 1.646 5.103 ( 2.237 -1.833 -0.961) 3.048 5.199 ( 1.043 -4.844 -3.230) 5.914 5.221 ( -0.382 -2.759 2.998) 4.092 5.493 ( -4.334 -1.739 0.171) 4.673 5.610 ( 0.217 0.012 -1.677) 1.691 5.725 ( 0.070 2.251 -3.265) 3.967 5.805 ( 4.497 -1.574 2.852) 5.553 6.185 ( -1.691 1.940 3.916) 4.686 6.303 ( -0.282 0.303 -5.289) 5.305 6.540 ( -5.695 -2.009 0.058) 6.039 6.632 ( -0.884 1.912 6.970) 7.281 6.755 ( -1.031 -2.660 -6.034) 6.675 7.016 ( 7.349 1.898 -4.662) 8.908 7.379 ( -2.958 0.118 -1.954) 3.547 7.494 ( 2.993 -0.101 4.443) 5.358 7.833 ( 2.493 0.735 -0.150) 2.603 7.850 ( 1.480 0.033 -2.254) 2.697======================= Grid point 333 (157/196) =======================q-point: (-0.40 0.10 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 350Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.150 ( -2.716 16.544 5.298) 17.583 1.375 ( 2.782 6.765 5.090) 8.912 1.525 ( 1.412 1.307 -1.800) 2.635 1.791 ( -13.078 1.262 8.249) 15.513 2.013 ( -9.087 -5.671 -4.393) 11.578 2.152 ( -4.240 1.389 -5.661) 7.208 2.382 ( -5.612 0.385 2.373) 6.106 2.432 ( 6.599 -13.523 1.125) 15.089 2.711 ( 0.315 -1.872 -4.829) 5.188 2.845 ( 3.542 -0.569 4.107) 5.453 2.951 ( -8.971 -2.991 3.872) 10.219 3.119 ( -4.353 -7.260 0.381) 8.474 3.203 ( -5.072 2.168 0.629) 5.552 3.341 ( -0.882 0.773 4.749) 4.892 3.414 ( -10.144 2.571 3.654) 11.085 3.608 ( -0.222 3.426 4.248) 5.462 3.635 ( 1.264 6.033 2.552) 6.672 3.839 ( 4.716 3.370 -8.934) 10.650 3.946 ( -2.285 1.868 -1.856) 3.486 4.131 ( 0.767 -1.291 0.514) 1.587 4.465 ( -0.372 -0.885 6.020) 6.096 4.512 ( 6.914 -0.580 -0.445) 6.953 4.621 ( -0.716 2.514 -2.880) 3.889 4.745 ( 1.354 5.842 3.873) 7.139 4.910 ( 1.527 0.546 4.024) 4.338 5.123 ( -1.536 -3.308 -5.339) 6.465 5.232 ( -0.132 -4.349 -0.108) 4.353 5.251 ( 0.695 -4.451 -4.072) 6.073 5.386 ( -7.076 -5.407 -3.326) 9.506 5.623 ( 0.312 -0.067 -0.040) 0.321 5.740 ( 3.966 3.420 -2.144) 5.659 5.907 ( 4.555 -0.955 2.572) 5.317 6.114 ( -5.106 0.820 -1.428) 5.365 6.270 ( -1.557 1.643 -2.954) 3.722 6.478 ( -2.801 -3.962 1.978) 5.240 6.602 ( -1.627 1.511 7.670) 7.985 6.765 ( 0.271 -3.514 -5.012) 6.127 7.112 ( 4.143 3.734 -4.971) 7.471 7.350 ( 1.186 1.026 0.553) 1.663 7.568 ( 3.892 -1.239 4.544) 6.110 7.859 ( 1.821 0.625 -5.206) 5.551 7.900 ( 3.436 1.722 1.766) 4.230======================= Grid point 334 (158/196) =======================q-point: (-0.30 0.10 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 350Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.031 ( -0.860 10.933 7.476) 13.273 1.421 ( 6.093 8.111 12.276) 15.925 1.526 ( -5.677 0.139 5.263) 7.743 1.649 ( 2.137 2.909 4.798) 6.005 1.893 ( -6.606 -5.599 -0.720) 8.690 2.025 ( -6.521 4.005 -11.431) 13.756 2.258 ( -6.158 0.145 -5.054) 7.968 2.594 ( -10.794 -3.499 -4.963) 12.385 2.617 ( -3.038 -8.782 8.434) 12.549 2.726 ( -8.871 -3.533 5.017) 10.787 2.893 ( -2.789 -0.426 7.491) 8.005 3.084 ( -2.724 -6.084 -0.373) 6.677 3.158 ( -12.011 2.981 1.801) 12.506 3.203 ( 1.693 2.150 0.348) 2.758 3.350 ( -0.140 1.314 -1.528) 2.020 3.535 ( -4.560 4.619 4.101) 7.677 3.650 ( 5.153 4.268 0.607) 6.719 3.931 ( 3.023 3.127 1.077) 4.480 3.937 ( 7.251 1.860 -6.213) 9.728 4.143 ( -2.000 1.013 1.952) 2.973 4.451 ( 0.297 -1.254 -1.273) 1.811 4.538 ( -3.043 -1.241 0.748) 3.370 4.668 ( 4.564 1.274 -1.698) 5.034 4.765 ( 2.421 2.732 1.286) 3.870 4.965 ( 3.416 0.667 8.565) 9.245 5.078 ( -4.007 -3.106 -7.753) 9.263 5.197 ( -4.952 -3.436 0.006) 6.027 5.264 ( 0.507 -2.714 -1.359) 3.077 5.381 ( 0.739 -10.107 -3.955) 10.878 5.612 ( -0.755 1.402 -0.718) 1.747 5.796 ( 3.462 5.434 -0.811) 6.493 5.901 ( -7.270 -0.218 -5.129) 8.900 6.080 ( 3.868 -0.033 3.145) 4.986 6.255 ( 1.056 -0.107 -1.222) 1.619 6.468 ( -1.226 -4.405 2.301) 5.119 6.584 ( -0.129 1.700 7.931) 8.112 6.780 ( -0.657 -4.989 -5.532) 7.478 7.103 ( -1.835 3.134 -6.328) 7.296 7.421 ( 6.588 2.654 4.193) 8.248 7.647 ( 2.915 -2.809 2.656) 4.842 7.889 ( 2.797 2.287 -5.726) 6.771 7.946 ( 2.510 2.826 1.407) 4.033======================= Grid point 335 (159/196) =======================q-point: (-0.20 0.10 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 350Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.062 ( 7.265 4.187 13.611) 15.986 1.438 ( -1.948 2.800 11.883) 12.363 1.537 ( 8.618 5.054 13.418) 16.729 1.717 ( 2.780 -0.378 1.207) 3.054 1.838 ( -2.931 -2.747 -0.089) 4.018 1.871 ( -5.169 2.633 -10.152) 11.693 2.151 ( -4.825 -1.203 -8.721) 10.039 2.366 ( -12.684 -1.076 -5.361) 13.812 2.379 ( -14.721 2.872 14.835) 21.095 2.685 ( -7.510 -1.999 -3.702) 8.608 2.830 ( -4.317 0.423 6.039) 7.435 2.949 ( -6.780 0.607 -1.272) 6.925 3.124 ( 2.985 -4.801 0.319) 5.663 3.208 ( -0.220 0.354 2.714) 2.746 3.360 ( 3.021 2.018 -2.766) 4.566 3.436 ( -3.885 3.271 3.182) 5.994 3.763 ( 7.349 2.235 -1.761) 7.880 3.982 ( 4.729 2.430 3.181) 6.195 4.038 ( -5.986 -0.259 -2.786) 6.607 4.116 ( 9.922 1.171 2.412) 10.277 4.416 ( -5.517 -0.141 -3.706) 6.648 4.552 ( 3.332 -3.252 3.132) 5.612 4.666 ( -3.772 1.940 -3.370) 5.418 4.788 ( -0.653 -1.169 -4.313) 4.516 5.017 ( 1.239 0.185 11.113) 11.183 5.043 ( 0.669 -3.026 -2.265) 3.838 5.168 ( -0.303 -3.158 3.087) 4.427 5.283 ( 0.180 -2.127 -1.405) 2.556 5.438 ( 0.062 -6.656 -3.657) 7.594 5.598 ( 0.237 1.920 -2.313) 3.015 5.726 ( -7.512 1.357 -2.699) 8.097 5.796 ( -1.281 4.620 -2.538) 5.424 6.169 ( 3.256 -1.190 6.289) 7.181 6.298 ( 2.214 -1.668 -2.474) 3.716 6.489 ( 1.221 -3.752 3.147) 5.047 6.593 ( 1.841 2.777 5.632) 6.544 6.789 ( -0.540 -6.233 -6.143) 8.768 7.025 ( -3.674 3.589 -7.702) 9.257 7.542 ( 6.597 0.884 5.597) 8.696 7.702 ( 0.838 -4.157 0.457) 4.266 7.916 ( 2.066 4.085 -3.670) 5.867 7.960 ( 0.898 4.295 -1.225) 4.556======================= Grid point 336 (160/196) =======================q-point: (-0.10 0.10 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 350Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.232 ( 10.139 2.399 16.110) 19.186 1.397 ( -5.719 0.901 4.570) 7.376 1.663 ( 3.102 -0.911 10.730) 11.206 1.746 ( 2.818 -1.322 -1.725) 3.558 1.760 ( -1.420 2.918 -4.308) 5.394 1.867 ( 1.055 -0.293 -0.985) 1.472 2.126 ( -0.437 -1.426 -1.874) 2.395 2.148 ( -6.400 -1.110 -4.274) 7.776 2.240 ( 2.032 5.077 16.623) 17.499 2.529 ( -5.290 3.368 -10.135) 11.919 2.781 ( 0.270 1.504 6.154) 6.341 2.877 ( 0.294 0.650 -2.717) 2.809 3.216 ( 1.478 -2.216 0.326) 2.683 3.242 ( 4.963 -3.325 -1.634) 6.193 3.368 ( -2.688 0.880 1.828) 3.368 3.408 ( 3.407 2.168 -2.019) 4.515 3.868 ( 5.143 1.642 -0.396) 5.413 3.881 ( -8.927 0.104 -1.513) 9.054 4.093 ( 5.557 0.061 6.143) 8.283 4.222 ( -4.067 0.832 -5.263) 6.703 4.375 ( 6.435 -0.281 6.253) 8.977 4.500 ( -10.329 -0.170 -4.796) 11.389 4.654 ( 3.419 -1.639 3.000) 4.835 4.737 ( -4.020 -0.811 -4.712) 6.247 5.020 ( -2.432 -0.792 10.082) 10.401 5.117 ( 3.950 -1.103 1.706) 4.442 5.216 ( 2.440 -5.303 2.164) 6.225 5.287 ( 0.175 -0.064 -2.446) 2.453 5.448 ( -0.278 -2.403 -0.214) 2.428 5.525 ( -4.895 1.843 -6.433) 8.291 5.669 ( -1.303 2.048 3.763) 4.478 5.751 ( 0.471 1.836 -3.036) 3.579 6.192 ( -2.421 -2.145 9.424) 9.964 6.306 ( -2.171 -0.113 -0.899) 2.352 6.558 ( 3.800 -2.149 0.882) 4.454 6.639 ( 3.783 0.659 -1.204) 4.025 6.825 ( 0.976 -5.414 -3.164) 6.346 6.934 ( -1.958 4.284 -9.729) 10.809 7.650 ( 4.211 -1.188 4.559) 6.318 7.720 ( -1.611 -4.520 -1.744) 5.105 7.896 ( -2.606 2.725 0.502) 3.804 7.940 ( 1.158 6.736 -4.022) 7.931======================= Grid point 339 (161/196) =======================q-point: ( 0.20 0.20 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.142 ( 5.390 0.000 -5.508) 7.707 1.311 ( -1.148 -0.000 0.148) 1.158 1.530 ( 1.589 0.000 -5.369) 5.599 2.065 ( 7.697 0.000 5.542) 9.485 2.123 ( 7.967 0.000 7.096) 10.669 2.235 ( 9.954 0.000 -7.404) 12.406 2.336 ( 4.442 0.000 4.849) 6.576 2.395 ( -11.520 -0.000 4.270) 12.287 2.761 ( -11.033 -0.000 -3.827) 11.678 2.767 ( -8.577 -0.000 -5.394) 10.132 3.032 ( 5.916 0.000 8.374) 10.253 3.264 ( 6.118 0.000 -3.030) 6.827 3.407 ( 1.044 0.000 -1.492) 1.822 3.455 ( 0.498 0.000 2.295) 2.348 3.496 ( 0.042 0.000 7.454) 7.454 3.550 ( -1.053 -0.000 -2.439) 2.657 3.633 ( -2.162 -0.000 -7.385) 7.695 3.759 ( 8.159 0.000 -5.948) 10.097 3.914 ( 5.398 0.000 4.632) 7.113 4.114 ( 0.276 0.000 5.635) 5.641 4.316 ( -9.265 -0.000 0.097) 9.266 4.518 ( 1.650 0.000 2.677) 3.144 4.589 ( 1.969 0.000 -0.583) 2.053 4.786 ( 2.925 0.000 -4.906) 5.712 4.955 ( -3.406 -0.000 -5.901) 6.814 5.010 ( 2.726 0.000 11.862) 12.172 5.181 ( -1.178 -0.000 3.759) 3.940 5.231 ( -2.220 -0.000 4.463) 4.985 5.511 ( -0.836 -0.000 4.435) 4.513 5.585 ( 3.956 0.000 0.074) 3.957 5.668 ( -1.405 -0.000 -3.106) 3.409 5.879 ( -2.151 -0.000 1.484) 2.613 6.172 ( 7.010 0.000 3.242) 7.723 6.185 ( 1.829 0.000 6.523) 6.774 6.675 ( -2.669 -0.000 -7.351) 7.821 6.717 ( -1.755 -0.000 0.734) 1.902 6.756 ( 3.907 0.000 -6.654) 7.717 6.941 ( -7.247 -0.000 -4.929) 8.765 7.370 ( 2.496 0.000 1.121) 2.736 7.575 ( -5.193 -0.000 -3.787) 6.427 7.765 ( 0.485 0.000 3.258) 3.294 7.862 ( -1.324 -0.000 -2.215) 2.581======================= Grid point 340 (162/196) =======================q-point: ( 0.30 0.20 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 350Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.249 ( 6.206 -0.313 -4.090) 7.439 1.334 ( 3.644 4.241 5.171) 7.616 1.586 ( 3.478 -3.808 -2.240) 5.623 2.087 ( -7.162 0.187 4.084) 8.247 2.205 ( -1.467 1.499 2.314) 3.123 2.238 ( -2.646 -1.576 -1.204) 3.307 2.349 ( -1.263 -0.159 -6.334) 6.461 2.446 ( 8.059 -0.494 1.410) 8.197 2.571 ( -5.105 1.550 -0.402) 5.350 2.638 ( -3.400 -0.017 -0.384) 3.421 3.179 ( 6.943 0.869 7.090) 9.961 3.294 ( -3.785 2.210 1.386) 4.596 3.332 ( -7.662 -3.091 -0.813) 8.302 3.425 ( -2.137 -2.211 -0.218) 3.083 3.500 ( -1.814 1.406 3.767) 4.412 3.532 ( 1.572 -2.194 -2.671) 3.797 3.624 ( 2.355 1.767 -1.500) 3.305 3.864 ( 3.578 2.128 -5.731) 7.083 4.073 ( 7.689 1.235 4.627) 9.058 4.136 ( 0.103 -0.695 2.540) 2.635 4.173 ( -3.398 -2.572 4.037) 5.870 4.468 ( -3.560 0.591 -1.958) 4.106 4.668 ( 3.655 0.187 -0.572) 3.705 4.824 ( 1.386 0.349 -4.726) 4.937 4.915 ( -0.994 0.107 0.597) 1.164 5.061 ( 2.107 1.066 6.763) 7.163 5.173 ( -0.628 -1.496 3.623) 3.970 5.184 ( -2.323 -0.558 0.847) 2.534 5.505 ( -0.660 -0.916 4.067) 4.221 5.626 ( -0.439 0.495 -5.201) 5.243 5.689 ( 4.832 0.466 4.732) 6.779 5.815 ( -4.325 0.386 -2.402) 4.962 6.216 ( 0.752 0.905 5.599) 5.721 6.275 ( 3.563 -0.181 -2.196) 4.189 6.633 ( -5.565 -0.371 -1.334) 5.734 6.641 ( -0.391 -0.221 -0.618) 0.764 6.809 ( -4.297 2.055 -3.897) 6.154 6.882 ( 6.521 -2.325 -4.564) 8.292 7.423 ( 2.811 1.424 2.687) 4.142 7.476 ( -4.827 -1.124 -3.232) 5.917 7.792 ( 2.212 0.253 2.715) 3.511 7.843 ( -0.445 -0.242 -3.536) 3.572======================= Grid point 341 (163/196) =======================q-point: (-0.60 0.20 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 352Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.354 ( 4.973 1.289 -3.208) 6.056 1.377 ( 5.303 12.299 7.117) 15.167 1.632 ( -1.784 2.169 1.436) 3.154 1.976 ( -8.382 -9.741 2.425) 13.077 2.076 ( -7.296 -1.474 0.032) 7.443 2.122 ( -7.954 -1.554 -2.981) 8.635 2.300 ( -2.413 -1.504 -7.719) 8.227 2.519 ( -2.987 2.292 4.433) 5.816 2.625 ( 7.679 0.566 -1.275) 7.805 2.675 ( 7.964 -0.685 5.372) 9.631 3.101 ( -10.605 -0.621 -5.543) 11.983 3.140 ( -8.618 -3.724 0.542) 9.404 3.344 ( -7.637 -3.252 4.454) 9.420 3.391 ( 2.205 5.861 4.959) 7.988 3.482 ( 2.858 -2.008 6.149) 7.072 3.588 ( 2.440 -0.636 -2.714) 3.704 3.668 ( 3.072 3.576 3.116) 5.651 3.867 ( 0.252 3.758 -5.747) 6.871 4.025 ( -4.544 -0.139 -0.888) 4.632 4.126 ( -2.122 -1.443 -2.520) 3.596 4.332 ( 9.873 -1.281 10.111) 14.190 4.439 ( 1.671 1.228 0.408) 2.113 4.687 ( -0.767 1.264 -3.653) 3.941 4.819 ( -0.531 2.356 -2.102) 3.202 4.907 ( -0.029 0.835 4.810) 4.882 5.092 ( 1.159 -0.434 0.265) 1.265 5.156 ( -0.971 -3.060 -3.022) 4.408 5.190 ( -0.107 -2.756 3.989) 4.850 5.476 ( -4.647 -1.274 -0.403) 4.835 5.613 ( 0.097 0.390 -2.133) 2.171 5.740 ( -1.030 0.653 -3.609) 3.809 5.794 ( 5.270 -0.400 3.632) 6.413 6.203 ( -2.243 1.281 2.859) 3.853 6.304 ( 0.397 0.003 -6.443) 6.455 6.523 ( -6.274 -1.214 0.044) 6.391 6.649 ( -0.486 1.070 7.070) 7.167 6.735 ( -1.883 -1.180 -4.802) 5.291 7.029 ( 8.559 0.680 -4.740) 9.808 7.383 ( -3.227 0.490 -2.289) 3.987 7.491 ( 2.927 -0.385 4.535) 5.411 7.840 ( 1.650 0.455 -2.774) 3.260 7.850 ( 2.816 0.045 0.369) 2.840======================= Grid point 342 (164/196) =======================q-point: (-0.50 0.20 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 350Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.323 ( -3.203 14.855 0.120) 15.197 1.454 ( 5.993 8.560 6.624) 12.372 1.539 ( -2.509 1.638 -2.110) 3.665 1.797 ( -10.298 -0.496 8.176) 13.158 1.947 ( -9.422 -6.873 -4.547) 12.518 2.150 ( 0.204 -2.748 3.041) 4.104 2.279 ( 1.622 -9.506 -2.490) 9.960 2.421 ( -5.149 2.871 0.994) 5.979 2.691 ( -1.034 -1.747 -4.751) 5.166 2.839 ( 2.955 -0.529 3.749) 4.803 2.922 ( -7.020 -2.382 2.798) 7.924 3.047 ( -4.373 -5.913 -0.178) 7.356 3.198 ( -6.605 -2.262 0.729) 7.019 3.369 ( -0.407 3.973 4.877) 6.303 3.443 ( -9.280 2.317 2.628) 9.920 3.641 ( 1.510 2.602 3.374) 4.520 3.690 ( 1.180 4.266 3.639) 5.730 3.872 ( 3.709 2.829 -8.215) 9.447 3.973 ( -0.532 3.239 -0.872) 3.396 4.108 ( 0.931 -3.068 -0.683) 3.278 4.456 ( 0.472 -0.649 7.223) 7.267 4.507 ( 5.356 -0.251 -0.471) 5.383 4.643 ( -1.740 1.609 -3.475) 4.206 4.807 ( 2.018 5.524 2.270) 6.304 4.917 ( 1.462 0.747 5.550) 5.788 5.091 ( -2.278 -2.600 -3.600) 4.991 5.168 ( -0.128 -6.279 -3.813) 7.347 5.217 ( 1.485 -2.622 0.520) 3.058 5.340 ( -9.734 -3.405 -4.891) 11.414 5.624 ( 0.863 0.129 -0.706) 1.122 5.768 ( 4.519 1.933 -1.660) 5.188 5.898 ( 4.754 -0.590 3.055) 5.682 6.123 ( -5.455 0.773 -1.924) 5.836 6.286 ( -1.285 1.190 -5.317) 5.598 6.439 ( -3.831 -3.287 2.138) 5.482 6.616 ( -1.998 1.200 8.184) 8.510 6.736 ( 0.171 -2.050 -3.427) 3.997 7.141 ( 3.534 1.750 -6.774) 7.839 7.364 ( 2.747 1.503 0.987) 3.283 7.555 ( 3.007 -1.237 4.795) 5.794 7.865 ( 2.428 0.570 -5.859) 6.368 7.917 ( 3.933 1.319 2.335) 4.760======================= Grid point 343 (165/196) =======================q-point: (-0.40 0.20 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 352Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.152 ( -4.480 11.599 2.799) 12.746 1.512 ( 5.024 7.552 9.266) 12.966 1.521 ( -2.209 -0.325 1.720) 2.818 1.685 ( -0.886 3.741 11.443) 12.071 1.838 ( -4.980 -3.853 0.680) 6.333 2.066 ( -5.605 3.224 -11.247) 12.973 2.256 ( -7.417 -1.028 -2.077) 7.771 2.491 ( 4.516 -10.417 5.171) 12.476 2.571 ( -10.009 -3.668 -6.562) 12.518 2.704 ( -12.510 -1.274 7.487) 14.635 2.891 ( -2.455 0.211 6.436) 6.891 3.020 ( -1.847 -5.730 1.609) 6.232 3.188 ( -6.822 2.203 0.819) 7.216 3.221 ( -3.003 1.659 -1.480) 3.736 3.360 ( -0.037 0.608 -0.302) 0.680 3.584 ( -4.546 4.486 3.552) 7.308 3.697 ( 3.203 4.192 1.391) 5.456 3.953 ( 5.258 1.493 -4.927) 7.359 3.972 ( 4.432 4.238 -0.479) 6.150 4.154 ( -0.218 0.761 1.919) 2.076 4.436 ( -0.383 -1.384 0.738) 1.615 4.525 ( -3.920 -1.221 -0.816) 4.186 4.673 ( 4.961 -0.140 -1.925) 5.323 4.804 ( -0.551 4.481 1.269) 4.690 4.970 ( 2.738 -0.103 8.267) 8.709 5.045 ( -3.332 -2.743 -5.796) 7.227 5.159 ( -5.426 -3.514 -0.759) 6.509 5.219 ( -0.337 -6.171 -3.629) 7.167 5.296 ( 2.699 -5.280 -1.059) 6.024 5.627 ( 0.059 1.380 -1.516) 2.051 5.843 ( 4.125 3.524 -0.818) 5.486 5.898 ( -6.997 -0.235 -4.103) 8.114 6.080 ( 3.208 0.027 3.358) 4.644 6.256 ( -0.316 0.307 -3.434) 3.462 6.418 ( -1.219 -4.860 1.466) 5.220 6.601 ( 0.239 1.371 9.204) 9.309 6.735 ( -1.387 -3.308 -3.951) 5.337 7.128 ( -2.102 1.513 -8.249) 8.646 7.453 ( 6.553 3.084 3.862) 8.208 7.618 ( 2.191 -2.618 3.301) 4.748 7.914 ( 4.200 2.249 -6.954) 8.430 7.974 ( 2.979 2.383 2.154) 4.381======================= Grid point 344 (166/196) =======================q-point: (-0.30 0.20 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 350Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.119 ( 5.712 6.468 10.723) 13.764 1.467 ( -2.061 2.541 9.712) 10.248 1.593 ( 5.759 4.243 8.929) 11.441 1.709 ( 1.056 -1.480 6.738) 6.979 1.807 ( -0.394 -1.365 4.545) 4.762 1.916 ( -6.563 5.175 -13.012) 15.465 2.134 ( -5.235 -1.929 -7.879) 9.655 2.345 ( -13.021 -2.995 -5.907) 14.608 2.420 ( -10.257 4.518 12.855) 17.055 2.656 ( -1.860 -3.575 0.959) 4.142 2.837 ( -3.173 1.004 5.702) 6.602 2.956 ( -6.108 0.372 0.121) 6.120 3.080 ( 1.830 -3.019 -1.792) 3.959 3.209 ( -2.289 -0.203 0.225) 2.309 3.380 ( 3.149 1.378 -3.067) 4.607 3.475 ( -4.744 3.953 3.232) 6.970 3.782 ( 6.618 1.432 -0.203) 6.774 4.014 ( 4.742 3.029 2.188) 6.037 4.039 ( -5.674 1.098 -2.082) 6.142 4.132 ( 8.152 1.859 1.458) 8.487 4.413 ( -5.939 -0.582 -2.474) 6.461 4.516 ( 3.515 -3.520 3.053) 5.836 4.686 ( -5.147 1.761 -4.206) 6.876 4.773 ( -0.888 -1.697 -4.191) 4.608 4.996 ( -0.292 -4.735 0.443) 4.764 5.025 ( 0.941 0.282 7.465) 7.529 5.130 ( -0.621 -3.965 3.961) 5.639 5.253 ( 0.867 -3.456 -2.020) 4.096 5.381 ( 3.115 -3.821 -1.599) 5.183 5.621 ( 0.610 2.177 -3.545) 4.204 5.733 ( -8.359 0.197 -2.934) 8.861 5.848 ( -1.294 4.705 -1.543) 5.118 6.153 ( 1.872 -1.806 7.939) 8.354 6.280 ( 2.552 -1.470 -4.578) 5.443 6.448 ( 1.984 -3.974 1.717) 4.762 6.620 ( 1.603 2.252 5.332) 6.006 6.726 ( -0.952 -5.448 -2.615) 6.118 7.056 ( -3.430 2.265 -9.501) 10.352 7.554 ( 5.213 1.322 4.564) 7.053 7.661 ( 0.493 -3.405 1.574) 3.784 7.961 ( 2.363 4.387 -2.437) 5.547 8.005 ( 2.527 3.944 -3.261) 5.707======================= Grid point 345 (167/196) =======================q-point: (-0.20 0.20 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 352Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.271 ( 10.805 5.049 14.912) 19.095 1.410 ( -6.220 1.554 5.542) 8.474 1.653 ( -1.129 -0.929 8.863) 8.982 1.727 ( 3.099 -2.221 -1.714) 4.180 1.800 ( -2.094 4.169 -4.181) 6.265 1.853 ( 3.851 -2.358 1.823) 4.870 2.118 ( -3.008 -0.016 -3.347) 4.501 2.126 ( -3.989 -2.809 -5.098) 7.056 2.316 ( 2.753 8.925 16.108) 18.620 2.575 ( -3.232 4.877 -8.285) 10.142 2.802 ( 0.736 2.318 6.177) 6.639 2.887 ( -0.383 1.182 -2.103) 2.442 3.183 ( -0.115 -3.956 -1.189) 4.132 3.196 ( 5.465 -4.915 -2.213) 7.677 3.383 ( -3.796 1.827 2.594) 4.947 3.435 ( 4.012 2.582 -2.310) 5.301 3.883 ( -6.889 0.365 -0.381) 6.909 3.888 ( 3.396 1.972 -0.492) 3.958 4.098 ( 3.832 0.946 6.187) 7.339 4.232 ( -3.130 0.908 -5.677) 6.546 4.371 ( 6.583 -0.384 6.503) 9.262 4.497 ( -9.478 -0.408 -4.775) 10.621 4.631 ( 2.789 -2.524 3.094) 4.871 4.725 ( -4.050 -1.385 -5.345) 6.848 5.004 ( -3.150 -2.278 9.211) 9.998 5.095 ( 5.282 -3.495 0.469) 6.351 5.160 ( 0.642 -4.441 4.580) 6.412 5.276 ( 0.277 -1.955 -4.045) 4.501 5.432 ( 2.159 -0.313 2.285) 3.159 5.538 ( -6.396 0.641 -7.629) 9.976 5.695 ( 1.258 2.631 4.110) 5.040 5.776 ( -1.674 2.743 -2.721) 4.211 6.162 ( -3.110 -3.411 9.948) 10.967 6.304 ( -1.303 -0.344 -1.903) 2.332 6.533 ( 4.516 -2.433 0.625) 5.167 6.639 ( 1.690 -0.962 -6.338) 6.629 6.775 ( 2.823 -3.751 4.014) 6.177 6.972 ( -2.628 2.838 -11.093) 11.748 7.636 ( 3.242 -1.276 3.407) 4.873 7.675 ( -1.161 -3.612 -0.107) 3.796 7.932 ( -2.783 3.835 1.806) 5.071 8.016 ( 1.896 7.108 -6.582) 9.871======================= Grid point 346 (168/196) =======================q-point: (-0.10 0.20 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 350Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.236 ( -9.163 1.164 0.815) 9.273 1.451 ( 9.294 4.932 12.751) 16.532 1.656 ( 0.130 -3.813 6.013) 7.121 1.702 ( -4.473 -1.290 -6.836) 8.271 1.834 ( 0.054 3.619 -1.045) 3.767 1.906 ( 1.888 4.162 -8.717) 9.842 2.013 ( 0.985 -1.861 1.964) 2.879 2.239 ( 8.238 -2.344 5.146) 9.992 2.475 ( 15.174 4.813 13.874) 21.116 2.591 ( 9.982 4.104 -3.805) 11.444 2.870 ( 6.465 0.099 4.077) 7.644 2.942 ( 7.067 1.019 -1.139) 7.230 3.182 ( -2.830 -7.169 -4.410) 8.880 3.296 ( -0.654 -0.578 -2.117) 2.290 3.348 ( 3.543 -1.599 -3.171) 5.016 3.498 ( 4.999 3.412 -2.767) 6.654 3.709 ( -9.022 2.029 0.932) 9.295 3.951 ( -0.564 0.907 3.836) 3.982 4.070 ( -4.151 -0.783 -1.368) 4.440 4.150 ( -5.299 2.349 -1.402) 5.964 4.356 ( -1.917 1.106 0.894) 2.386 4.526 ( 6.271 0.619 7.963) 10.154 4.643 ( -3.519 -2.362 -3.900) 5.760 4.703 ( 1.585 -1.203 2.927) 3.540 4.945 ( -4.742 -2.063 7.569) 9.167 5.167 ( 0.347 1.045 1.524) 1.880 5.204 ( 1.099 -6.223 -1.511) 6.497 5.291 ( 0.440 -2.933 -3.454) 4.553 5.432 ( -4.834 -2.119 -3.621) 6.401 5.511 ( 6.298 0.787 6.005) 8.737 5.647 ( -1.683 2.912 2.712) 4.321 5.793 ( 1.733 3.225 -1.227) 3.861 6.120 ( -3.728 -3.930 11.445) 12.662 6.234 ( -5.339 0.577 0.005) 5.370 6.604 ( 1.740 -2.307 -5.117) 5.877 6.696 ( 3.757 -1.690 -7.170) 8.269 6.813 ( -0.776 0.425 -0.330) 0.944 6.960 ( 3.889 -0.197 -6.224) 7.342 7.636 ( -5.223 -2.305 -2.442) 6.209 7.691 ( 1.190 -1.965 1.205) 2.595 7.845 ( -4.000 2.608 1.776) 5.095 7.987 ( -0.234 6.835 -3.054) 7.490======================= Grid point 350 (169/196) =======================q-point: (-0.70 0.30 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 195Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.361 ( 5.783 0.000 -3.351) 6.684 1.456 ( 6.090 0.000 7.401) 9.584 1.639 ( 3.766 0.000 2.531) 4.537 1.910 ( -12.489 -0.000 -1.036) 12.532 2.072 ( -10.844 -0.000 -0.152) 10.845 2.115 ( -7.125 -0.000 -0.919) 7.184 2.291 ( -1.614 -0.000 -8.185) 8.342 2.532 ( -3.277 -0.000 5.004) 5.981 2.628 ( 7.948 0.000 -0.899) 7.999 2.671 ( 7.235 0.000 5.462) 9.065 3.104 ( -12.337 -0.000 -7.035) 14.202 3.114 ( -7.698 -0.000 0.655) 7.726 3.326 ( -8.121 -0.000 4.886) 9.477 3.440 ( 9.373 0.000 5.265) 10.751 3.454 ( -3.096 -0.000 5.818) 6.590 3.584 ( 3.432 0.000 -2.751) 4.399 3.688 ( 2.944 0.000 2.614) 3.938 3.889 ( -0.063 -0.000 -5.015) 5.016 4.024 ( -4.121 -0.000 -0.256) 4.129 4.118 ( -2.622 -0.000 -3.132) 4.085 4.325 ( 10.332 0.000 10.829) 14.967 4.446 ( 1.447 0.000 -0.026) 1.448 4.694 ( -0.601 -0.000 -4.156) 4.199 4.830 ( 0.063 0.000 -3.876) 3.876 4.914 ( 0.228 0.000 6.653) 6.657 5.089 ( 0.049 0.000 0.083) 0.096 5.140 ( -1.717 -0.000 -2.194) 2.786 5.172 ( 0.432 0.000 4.096) 4.118 5.469 ( -4.741 -0.000 -0.639) 4.784 5.615 ( 0.002 0.000 -2.195) 2.195 5.742 ( -1.474 -0.000 -3.799) 4.075 5.793 ( 5.553 0.000 4.043) 6.869 6.210 ( -2.453 -0.000 2.451) 3.467 6.304 ( 0.626 0.000 -7.127) 7.155 6.516 ( -6.454 -0.000 0.277) 6.460 6.654 ( -0.080 -0.000 6.903) 6.904 6.729 ( -2.497 -0.000 -4.198) 4.884 7.032 ( 9.033 0.000 -4.800) 10.229 7.386 ( -3.419 -0.000 -2.448) 4.205 7.488 ( 3.001 0.000 4.629) 5.516 7.842 ( 0.910 0.000 -4.776) 4.862 7.850 ( 3.745 0.000 2.371) 4.433======================= Grid point 352 (170/196) =======================q-point: (-0.60 0.30 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 350Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.425 ( 1.226 4.143 -3.775) 5.737 1.532 ( 0.571 2.273 3.404) 4.133 1.594 ( -6.827 11.128 0.015) 13.055 1.760 ( -1.719 -7.227 8.356) 11.180 1.884 ( -8.897 -3.380 -1.287) 9.604 2.100 ( 2.212 -3.949 11.134) 12.018 2.234 ( -3.394 -0.910 -9.926) 10.529 2.446 ( -4.616 1.461 1.817) 5.172 2.677 ( -2.677 -0.812 -4.628) 5.408 2.835 ( 1.840 -0.186 2.930) 3.465 2.904 ( -4.578 -0.849 2.746) 5.406 3.002 ( -4.930 -2.353 -0.921) 5.539 3.176 ( -6.128 -1.240 1.858) 6.522 3.405 ( -2.083 2.058 4.243) 5.155 3.458 ( -7.934 0.643 1.839) 8.170 3.660 ( 2.680 0.906 2.337) 3.670 3.721 ( 0.784 1.463 4.674) 4.960 3.895 ( 2.819 1.332 -7.614) 8.227 4.011 ( 2.584 3.647 0.833) 4.547 4.070 ( -0.615 -3.732 -2.416) 4.488 4.451 ( 1.205 -0.238 7.669) 7.767 4.506 ( 4.080 -0.065 -0.420) 4.102 4.654 ( -2.226 0.517 -3.881) 4.504 4.851 ( 3.384 2.263 0.090) 4.072 4.927 ( 0.637 0.950 8.770) 8.845 5.069 ( -2.785 -1.462 -3.002) 4.348 5.118 ( -0.483 -2.680 -5.062) 5.748 5.196 ( 1.660 -1.117 1.989) 2.821 5.315 ( -10.643 -1.205 -6.078) 12.315 5.625 ( 1.072 0.082 -0.948) 1.433 5.781 ( 5.027 0.548 -1.532) 5.284 5.895 ( 4.622 -0.125 3.701) 5.922 6.129 ( -5.668 0.339 -2.245) 6.106 6.294 ( -0.746 0.414 -8.387) 8.430 6.414 ( -4.864 -1.286 3.816) 6.315 6.625 ( -2.267 0.464 8.428) 8.740 6.722 ( 0.226 -0.671 -2.632) 2.726 7.152 ( 3.104 0.446 -7.805) 8.411 7.377 ( 3.793 0.755 1.155) 4.037 7.544 ( 2.445 -0.561 5.030) 5.621 7.869 ( 2.797 0.228 -6.259) 6.860 7.927 ( 4.201 0.492 2.687) 5.011======================= Grid point 353 (171/196) =======================q-point: (-0.50 0.30 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 350Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.266 ( -7.658 9.526 -0.405) 12.229 1.491 ( -0.690 -3.935 -2.861) 4.914 1.587 ( 1.587 4.754 8.203) 9.613 1.714 ( -4.275 0.888 12.568) 13.305 1.837 ( 1.527 4.151 5.069) 6.727 2.085 ( -4.513 0.024 -7.040) 8.362 2.219 ( -4.777 -5.849 2.431) 7.934 2.429 ( 3.712 -0.582 -0.864) 3.855 2.525 ( -10.182 -4.804 -8.239) 13.951 2.694 ( -12.221 -0.658 7.850) 14.540 2.900 ( -1.819 1.529 5.339) 5.844 2.966 ( -1.217 -4.611 3.368) 5.839 3.199 ( 3.215 0.175 -2.058) 3.821 3.242 ( -11.373 1.986 0.160) 11.546 3.364 ( -1.663 0.193 0.034) 1.674 3.623 ( -4.419 2.745 2.745) 5.883 3.731 ( 1.899 2.170 2.745) 3.981 3.969 ( 5.539 1.382 -5.648) 8.030 4.016 ( 2.781 3.762 -0.319) 4.689 4.154 ( 3.025 -0.629 1.869) 3.611 4.425 ( -1.643 -0.672 2.099) 2.749 4.513 ( -4.335 -1.032 -1.575) 4.726 4.669 ( 4.456 -0.385 -1.596) 4.749 4.852 ( -3.067 4.165 0.028) 5.172 4.957 ( -0.123 -2.256 6.581) 6.958 5.030 ( -0.299 -0.138 -0.705) 0.779 5.127 ( -6.428 -2.391 -3.032) 7.499 5.153 ( 0.749 -5.231 -5.460) 7.598 5.261 ( 3.837 -1.886 1.134) 4.423 5.639 ( 0.660 0.811 -1.934) 2.199 5.871 ( 4.103 1.884 -0.785) 4.582 5.895 ( -6.280 -0.306 -3.093) 7.008 6.080 ( 2.465 0.064 3.868) 4.587 6.262 ( -0.905 0.918 -7.202) 7.316 6.371 ( -1.500 -3.830 2.576) 4.853 6.612 ( 0.362 0.739 10.264) 10.296 6.710 ( -1.874 -1.514 -3.305) 4.090 7.138 ( -2.128 0.489 -9.353) 9.604 7.482 ( 6.441 2.362 3.302) 7.613 7.594 ( 1.745 -1.899 3.933) 4.703 7.934 ( 5.331 1.405 -8.144) 9.835 7.994 ( 3.118 1.304 3.053) 4.555======================= Grid point 354 (172/196) =======================q-point: (-0.40 0.30 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 350Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.193 ( 4.692 7.208 8.065) 11.791 1.488 ( -1.151 1.150 6.614) 6.811 1.603 ( 1.266 -2.219 3.850) 4.620 1.690 ( 0.331 -1.411 11.159) 11.252 1.828 ( -1.935 4.743 8.355) 9.801 1.973 ( -5.597 5.283 -12.977) 15.088 2.114 ( -4.780 -1.633 -6.200) 7.998 2.302 ( -12.024 -5.140 -6.460) 14.586 2.470 ( -5.792 4.783 10.693) 13.068 2.614 ( 2.499 -4.173 5.143) 7.079 2.854 ( -2.161 2.178 4.051) 5.082 2.951 ( -3.951 -1.361 2.535) 4.888 3.064 ( -1.368 -0.159 -3.378) 3.648 3.205 ( -4.089 -0.379 -2.448) 4.781 3.386 ( 3.640 -0.130 -2.198) 4.255 3.515 ( -5.357 3.371 2.694) 6.879 3.794 ( 5.386 0.790 1.329) 5.604 4.029 ( -0.430 0.536 -0.617) 0.923 4.071 ( 1.024 3.849 1.022) 4.112 4.153 ( 5.337 1.929 -0.563) 5.703 4.404 ( -6.536 -1.100 -0.701) 6.664 4.481 ( 4.111 -2.789 2.914) 5.759 4.703 ( -6.633 1.367 -4.910) 8.365 4.754 ( -1.101 -1.813 -4.041) 4.563 4.944 ( -1.201 -4.530 -0.561) 4.720 5.030 ( 0.360 0.568 7.578) 7.608 5.088 ( -0.560 -3.774 3.659) 5.286 5.218 ( 2.471 -2.853 -1.673) 4.128 5.356 ( 5.084 -1.111 -0.396) 5.219 5.641 ( 0.232 1.429 -5.180) 5.378 5.734 ( -8.000 0.134 -1.085) 8.075 5.890 ( -1.560 3.174 -1.484) 3.835 6.134 ( 0.442 -1.727 9.510) 9.676 6.269 ( 2.549 -0.548 -7.089) 7.553 6.408 ( 3.288 -3.505 0.715) 4.859 6.639 ( 0.607 1.279 2.874) 3.204 6.679 ( -0.771 -3.360 2.162) 4.069 7.073 ( -3.237 1.061 -10.500) 11.038 7.569 ( 3.936 1.515 3.658) 5.583 7.631 ( 0.608 -2.426 2.321) 3.412 8.004 ( 2.154 3.603 -0.679) 4.252 8.038 ( 4.094 2.309 -5.452) 7.198======================= Grid point 355 (173/196) =======================q-point: (-0.30 0.30 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 350Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.337 ( 11.736 7.324 13.033) 19.006 1.429 ( -6.336 1.971 7.350) 9.902 1.642 ( -5.762 -1.255 6.581) 8.836 1.697 ( 4.577 -3.675 0.446) 5.886 1.813 ( 3.207 -3.356 0.522) 4.671 1.853 ( -1.983 4.424 -2.350) 5.388 2.090 ( -7.400 -3.751 -4.505) 9.440 2.127 ( 1.290 1.351 -5.314) 5.633 2.420 ( 3.734 10.371 13.995) 17.815 2.623 ( -0.264 3.725 -4.922) 6.179 2.827 ( 0.973 2.412 6.482) 6.984 2.900 ( -0.967 1.217 -1.108) 1.909 3.136 ( -3.793 -4.812 -3.325) 6.971 3.147 ( 7.158 -4.124 -3.771) 9.081 3.405 ( -4.641 2.186 3.069) 5.978 3.457 ( 4.022 1.435 -1.751) 4.616 3.889 ( -3.806 0.803 1.073) 4.035 3.906 ( 0.953 1.210 0.219) 1.555 4.113 ( 1.103 1.863 5.091) 5.533 4.239 ( -1.335 0.448 -5.665) 5.838 4.367 ( 6.772 -0.300 6.520) 9.405 4.492 ( -8.290 -0.642 -4.471) 9.441 4.605 ( 1.920 -2.328 2.881) 4.172 4.710 ( -4.199 -1.481 -6.054) 7.515 4.971 ( -1.954 -3.950 7.567) 8.757 5.047 ( 1.172 -4.756 0.096) 4.899 5.131 ( 3.136 -1.497 6.475) 7.349 5.253 ( 0.280 -1.988 -3.924) 4.407 5.439 ( 3.901 1.205 2.158) 4.618 5.540 ( -7.126 -0.085 -7.842) 10.596 5.720 ( 2.903 1.900 4.932) 6.030 5.805 ( -3.666 2.606 -2.423) 5.109 6.125 ( -3.699 -3.454 10.383) 11.551 6.299 ( -0.473 -0.444 -3.159) 3.225 6.510 ( 5.256 -1.687 0.062) 5.521 6.616 ( -0.353 -3.063 -10.806) 11.237 6.749 ( 4.401 -1.180 10.109) 11.088 6.995 ( -3.125 1.539 -11.704) 12.211 7.624 ( 1.796 -0.915 2.625) 3.310 7.646 ( -0.067 -1.870 0.668) 1.987 7.971 ( -3.193 3.337 2.846) 5.425 8.083 ( 2.708 5.469 -8.380) 10.367======================= Grid point 356 (174/196) =======================q-point: (-0.20 0.30 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 350Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.256 ( -8.429 2.763 1.762) 9.044 1.510 ( 7.689 5.009 8.944) 12.814 1.606 ( 1.625 -4.168 8.146) 9.294 1.705 ( -5.702 1.617 -4.187) 7.257 1.869 ( 3.458 2.397 -2.422) 4.854 1.933 ( 2.764 -0.332 -3.893) 4.785 2.003 ( 3.405 1.095 0.430) 3.603 2.212 ( 6.189 -2.319 3.894) 7.671 2.537 ( 12.393 6.668 8.512) 16.447 2.637 ( 6.536 4.208 -3.551) 8.546 2.878 ( 4.433 1.454 3.815) 6.027 2.952 ( 8.029 0.626 0.401) 8.063 3.103 ( -3.551 -7.417 -4.858) 9.551 3.279 ( 2.026 -2.549 -3.063) 4.470 3.338 ( 0.913 -0.194 -0.782) 1.218 3.528 ( 4.868 2.099 -1.816) 5.603 3.731 ( -8.087 2.028 1.921) 8.555 3.961 ( -2.865 0.919 3.649) 4.729 4.066 ( -0.650 0.100 1.855) 1.968 4.177 ( -5.761 2.664 -3.950) 7.476 4.371 ( -0.753 1.772 0.757) 2.069 4.532 ( 6.642 0.402 6.948) 9.620 4.617 ( -3.695 -2.240 -3.499) 5.560 4.685 ( 2.377 -2.199 2.869) 4.326 4.920 ( -4.415 -2.353 6.429) 8.147 5.117 ( 1.352 -9.221 1.154) 9.391 5.180 ( 0.372 1.176 0.420) 1.303 5.261 ( 0.494 -2.527 -1.907) 3.204 5.421 ( -5.659 -0.255 -5.928) 8.200 5.518 ( 5.171 0.597 4.705) 7.016 5.678 ( -1.865 2.998 2.325) 4.227 5.826 ( 3.045 2.816 0.601) 4.191 6.073 ( -4.345 -4.669 11.563) 13.205 6.238 ( -5.330 0.220 -0.364) 5.347 6.579 ( 1.683 -2.270 -7.361) 7.885 6.672 ( 4.338 -2.726 -6.728) 8.457 6.822 ( 1.048 1.160 3.118) 3.488 6.955 ( 1.722 -0.782 -7.511) 7.746 7.616 ( -3.469 -1.462 -0.509) 3.799 7.672 ( 1.122 -1.511 0.131) 1.886 7.874 ( -5.115 2.756 2.406) 6.289 8.060 ( -0.814 6.531 -5.344) 8.478======================= Grid point 357 (175/196) =======================q-point: (-0.10 0.30 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 350Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.142 ( -1.937 4.415 -0.252) 4.827 1.573 ( -1.126 2.754 -1.406) 3.290 1.592 ( -3.864 -1.243 -5.026) 6.460 1.743 ( 9.039 -0.250 11.730) 14.811 1.811 ( -1.595 6.264 0.173) 6.466 1.930 ( 2.464 1.419 -9.946) 10.344 2.159 ( 9.852 3.291 3.888) 11.091 2.410 ( 10.361 -4.328 10.030) 15.056 2.704 ( 2.592 -5.398 2.175) 6.371 2.825 ( 13.496 -0.611 -4.764) 14.325 2.976 ( 3.650 -0.457 2.076) 4.224 3.062 ( -1.133 -3.301 2.795) 4.472 3.152 ( 12.664 1.975 1.181) 12.871 3.265 ( -0.812 -2.616 -4.367) 5.155 3.422 ( 5.241 -1.298 -8.828) 10.348 3.590 ( -4.855 2.884 4.249) 7.067 3.607 ( 4.328 3.175 -2.712) 6.014 3.809 ( -10.136 0.438 4.497) 11.098 4.021 ( -4.937 3.685 -5.139) 8.023 4.138 ( 2.485 1.725 3.609) 4.709 4.370 ( 0.904 1.830 4.662) 5.090 4.570 ( -1.094 -2.554 -1.484) 3.150 4.594 ( -1.597 0.636 3.507) 3.905 4.744 ( 2.870 1.519 3.480) 4.760 4.887 ( -0.420 -1.474 8.987) 9.116 5.148 ( -3.160 -0.053 -3.983) 5.084 5.178 ( 0.046 -4.709 -0.635) 4.752 5.276 ( -0.730 -4.652 -0.580) 4.744 5.329 ( -2.799 -2.589 -0.633) 3.865 5.595 ( 2.192 -0.545 0.114) 2.261 5.724 ( 6.844 2.317 9.791) 12.169 5.804 ( -2.576 3.887 -0.617) 4.704 6.063 ( -1.381 -3.643 7.574) 8.517 6.144 ( -3.595 -0.637 3.350) 4.955 6.601 ( 0.781 -2.025 -8.949) 9.209 6.743 ( 2.446 -1.049 -5.486) 6.097 6.798 ( -1.108 1.512 -5.089) 5.424 7.029 ( 3.980 -2.026 -0.982) 4.573 7.506 ( -7.994 1.191 -3.106) 8.658 7.686 ( -0.586 -1.472 -1.100) 1.929 7.793 ( -2.732 0.692 2.959) 4.086 7.989 ( -2.681 5.216 -2.601) 6.416======================= Grid point 362 (176/196) =======================q-point: (-0.60 0.40 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.328 ( -10.331 -0.000 -1.496) 10.439 1.458 ( 0.986 0.000 -3.800) 3.926 1.612 ( -0.491 -0.000 7.693) 7.708 1.715 ( -5.366 -0.000 10.320) 11.632 1.878 ( 5.429 0.000 7.366) 9.151 2.074 ( -3.853 -0.000 1.446) 4.115 2.180 ( -2.698 -0.000 -1.196) 2.951 2.445 ( 4.906 0.000 -1.455) 5.117 2.486 ( -13.787 -0.000 -10.768) 17.494 2.690 ( -11.919 -0.000 7.849) 14.271 2.923 ( -2.824 -0.000 -1.014) 3.000 2.926 ( 0.327 0.000 9.980) 9.986 3.199 ( 5.582 0.000 -2.849) 6.267 3.254 ( -12.918 -0.000 0.744) 12.939 3.365 ( -2.597 -0.000 -0.096) 2.599 3.638 ( -4.334 -0.000 2.350) 4.930 3.742 ( 1.497 0.000 3.460) 3.770 3.977 ( 5.591 0.000 -6.021) 8.217 4.039 ( 1.314 0.000 -0.345) 1.358 4.148 ( 5.350 0.000 1.966) 5.700 4.422 ( -2.273 -0.000 2.530) 3.401 4.507 ( -4.477 -0.000 -1.720) 4.796 4.667 ( 4.142 0.000 -1.461) 4.392 4.879 ( -4.901 -0.000 -2.323) 5.423 4.939 ( -0.768 -0.000 8.236) 8.272 5.032 ( 1.231 0.000 1.234) 1.743 5.114 ( -8.350 -0.000 -5.335) 9.909 5.123 ( 2.906 0.000 -4.805) 5.616 5.252 ( 4.215 0.000 1.528) 4.484 5.644 ( 0.876 0.000 -2.046) 2.226 5.882 ( 4.756 0.000 -0.716) 4.810 5.893 ( -6.673 -0.000 -2.722) 7.207 6.081 ( 2.109 0.000 4.186) 4.687 6.269 ( -0.808 -0.000 -10.626) 10.657 6.348 ( -1.862 -0.000 4.890) 5.232 6.616 ( 0.346 0.000 10.685) 10.691 6.702 ( -2.006 -0.000 -3.170) 3.752 7.140 ( -2.109 -0.000 -9.721) 9.947 7.496 ( 6.515 0.000 2.910) 7.135 7.583 ( 1.468 0.000 4.326) 4.568 7.941 ( 5.781 0.000 -8.680) 10.428 8.001 ( 3.114 0.000 3.494) 4.680======================= Grid point 364 (177/196) =======================q-point: (-0.50 0.40 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 350Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.257 ( 4.286 4.004 6.609) 8.836 1.487 ( 1.887 -0.898 0.125) 2.094 1.575 ( -3.726 -1.699 10.728) 11.483 1.682 ( 0.777 -0.310 9.370) 9.407 1.877 ( -6.911 3.231 8.447) 11.382 2.011 ( -3.464 1.374 -12.734) 13.268 2.113 ( -2.496 1.496 -2.647) 3.934 2.245 ( -11.577 -4.380 -8.055) 14.768 2.516 ( -2.907 3.602 9.580) 10.640 2.573 ( 4.088 -3.287 6.721) 8.526 2.879 ( -1.453 2.118 1.435) 2.942 2.931 ( -1.850 -1.925 5.397) 6.021 3.069 ( -4.195 0.500 -3.683) 5.605 3.202 ( -5.150 -0.178 -4.195) 6.645 3.382 ( 4.220 -0.396 -1.273) 4.426 3.541 ( -5.724 1.313 2.303) 6.308 3.800 ( 4.645 0.289 2.206) 5.151 4.033 ( -1.913 0.280 -0.947) 2.153 4.103 ( 4.809 1.734 2.326) 5.616 4.169 ( 1.972 0.852 -3.049) 3.730 4.393 ( -6.872 -0.702 0.942) 6.972 4.460 ( 4.654 -1.070 2.806) 5.539 4.715 ( -8.744 0.964 -5.498) 10.374 4.736 ( -0.043 -1.268 -3.735) 3.944 4.909 ( -1.689 -1.813 -0.222) 2.488 5.037 ( -0.334 0.907 4.493) 4.596 5.055 ( -0.070 -2.246 5.117) 5.589 5.198 ( 3.628 -0.947 -0.610) 3.799 5.351 ( 6.008 -0.191 -0.363) 6.022 5.650 ( -0.326 0.457 -6.377) 6.402 5.735 ( -7.553 0.088 0.583) 7.576 5.913 ( -1.584 1.128 -1.514) 2.465 6.120 ( -0.421 -0.715 10.384) 10.417 6.268 ( 2.048 0.030 -9.199) 9.425 6.380 ( 4.594 -1.550 0.697) 4.899 6.643 ( -3.104 -0.399 -5.516) 6.342 6.660 ( 2.355 -0.306 11.804) 12.041 7.080 ( -3.113 0.290 -10.962) 11.399 7.584 ( 3.197 1.242 2.913) 4.499 7.610 ( 0.797 -1.466 2.938) 3.378 8.033 ( 0.850 1.623 2.543) 3.134 8.053 ( 6.070 0.498 -8.856) 10.748======================= Grid point 365 (178/196) =======================q-point: (-0.40 0.40 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 352Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.414 ( 11.124 5.720 11.367) 16.902 1.457 ( -4.135 4.564 8.725) 10.680 1.617 ( -2.389 -4.724 2.330) 5.784 1.653 ( -1.720 -3.314 6.625) 7.605 1.782 ( 4.295 -1.944 1.809) 5.049 1.902 ( -4.121 4.383 -6.743) 9.036 2.050 ( -8.193 -3.722 -2.653) 9.382 2.142 ( 3.172 1.125 -6.549) 7.364 2.525 ( 4.432 9.277 10.901) 14.984 2.642 ( 3.092 -0.599 0.631) 3.212 2.855 ( 0.062 2.975 5.716) 6.444 2.906 ( -0.633 -0.388 0.651) 0.988 3.091 ( -5.926 -3.275 -5.880) 8.968 3.113 ( 6.858 -2.281 -5.750) 9.236 3.426 ( -5.140 1.803 3.029) 6.232 3.464 ( 3.774 -0.041 -0.394) 3.794 3.899 ( -1.173 1.066 2.038) 2.582 3.913 ( -0.998 0.160 1.218) 1.582 4.133 ( -2.771 1.593 3.677) 4.872 4.242 ( 2.031 0.044 -5.193) 5.576 4.365 ( 6.705 -0.194 6.267) 9.180 4.485 ( -7.222 -0.546 -3.903) 8.228 4.585 ( 1.078 -1.296 2.326) 2.873 4.696 ( -4.351 -0.978 -6.561) 7.933 4.930 ( 0.270 -3.181 6.349) 7.106 5.006 ( -3.026 -2.780 0.015) 4.109 5.121 ( 5.136 -0.492 7.219) 8.873 5.237 ( 0.277 -1.017 -2.876) 3.063 5.452 ( 4.928 1.179 0.615) 5.105 5.538 ( -7.500 -0.227 -7.646) 10.713 5.734 ( 3.756 0.823 6.191) 7.288 5.828 ( -5.161 1.606 -2.218) 5.842 6.094 ( -4.006 -2.190 10.510) 11.459 6.295 ( 0.090 -0.304 -4.242) 4.254 6.498 ( 6.397 -0.614 -0.577) 6.452 6.584 ( -1.699 -2.645 -10.976) 11.418 6.744 ( 4.768 -0.123 11.518) 12.467 7.006 ( -3.412 0.628 -11.928) 12.422 7.617 ( 0.398 -0.491 2.330) 2.414 7.634 ( 1.161 -0.627 0.857) 1.573 7.999 ( -3.559 1.893 3.474) 5.321 8.128 ( 3.276 2.924 -9.396) 10.371======================= Grid point 366 (179/196) =======================q-point: (-0.30 0.40 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 350Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.295 ( -7.547 4.681 2.630) 9.262 1.499 ( -2.194 -6.121 2.458) 6.951 1.628 ( 9.775 7.218 14.009) 18.545 1.729 ( -5.534 2.708 -3.880) 7.281 1.881 ( 2.147 0.072 -6.838) 7.167 1.900 ( 8.863 -4.965 5.983) 11.790 2.026 ( 6.765 1.849 0.712) 7.049 2.199 ( 3.016 0.029 -0.417) 3.045 2.607 ( 9.320 6.148 2.941) 11.546 2.671 ( 0.366 2.079 -3.612) 4.184 2.902 ( 5.484 2.934 4.345) 7.588 2.954 ( 7.706 -0.082 2.084) 7.983 3.032 ( -2.668 -5.728 -5.251) 8.216 3.249 ( 3.854 -2.845 -3.613) 6.001 3.341 ( -1.289 0.458 0.624) 1.504 3.541 ( 4.557 0.499 0.250) 4.591 3.750 ( -7.514 1.449 2.573) 8.073 3.969 ( -5.173 0.510 3.693) 6.376 4.071 ( 2.956 0.669 4.155) 5.143 4.204 ( -5.964 2.280 -5.540) 8.453 4.392 ( 0.493 2.004 0.211) 2.074 4.532 ( 6.004 -0.475 4.683) 7.629 4.601 ( -2.747 -0.702 -2.004) 3.472 4.658 ( 2.913 -2.696 3.093) 5.032 4.901 ( -3.702 -1.055 4.855) 6.196 5.022 ( 0.818 -8.462 2.460) 8.850 5.192 ( -0.995 0.846 0.035) 1.306 5.239 ( 1.150 -1.741 -0.425) 2.129 5.422 ( -4.569 0.215 -7.313) 8.626 5.523 ( 3.306 0.379 2.665) 4.263 5.712 ( -1.555 3.525 2.832) 4.782 5.845 ( 4.247 0.559 2.908) 5.177 6.028 ( -5.277 -3.715 11.227) 12.949 6.239 ( -5.489 0.011 -0.776) 5.543 6.560 ( 1.701 -1.275 -10.396) 10.611 6.642 ( 5.070 -2.677 -4.580) 7.339 6.836 ( 3.127 1.373 6.144) 7.029 6.945 ( -0.743 -1.101 -9.492) 9.584 7.606 ( -2.366 -0.542 0.664) 2.517 7.660 ( 1.022 -0.866 -0.680) 1.502 7.900 ( -5.908 1.967 2.942) 6.887 8.119 ( -1.093 4.478 -6.894) 8.293======================= Grid point 367 (180/196) =======================q-point: (-0.20 0.40 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 352Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.198 ( -0.165 6.244 1.493) 6.422 1.533 ( 1.147 -6.929 -2.198) 7.360 1.617 ( -3.881 2.780 -0.263) 4.781 1.776 ( 7.410 5.935 10.735) 14.331 1.861 ( -0.128 1.825 -0.510) 1.899 1.967 ( -0.245 6.655 -9.727) 11.788 2.193 ( 11.931 2.914 2.341) 12.503 2.356 ( 10.517 -5.666 10.240) 15.734 2.627 ( -5.426 -8.811 -3.305) 10.863 2.819 ( 11.813 -0.446 -4.730) 12.733 2.971 ( -0.346 -0.600 -1.610) 1.753 3.052 ( 6.254 0.900 4.451) 7.729 3.167 ( 12.179 0.910 2.307) 12.429 3.234 ( -1.811 -3.088 -2.846) 4.573 3.412 ( 5.578 -0.565 -6.683) 8.724 3.612 ( 0.349 1.588 3.336) 3.711 3.643 ( 0.309 3.233 1.722) 3.676 3.814 ( -9.186 0.530 4.946) 10.446 4.061 ( -5.371 3.697 -4.894) 8.153 4.157 ( 2.560 1.840 3.054) 4.390 4.393 ( 0.612 2.370 3.759) 4.486 4.533 ( -0.954 -3.948 -2.607) 4.826 4.609 ( -1.555 1.719 4.079) 4.692 4.756 ( 5.255 0.711 5.445) 7.601 4.878 ( 0.735 0.091 6.941) 6.980 5.108 ( 2.998 -8.552 0.580) 9.081 5.145 ( -2.944 -0.780 -1.658) 3.468 5.209 ( -5.618 -4.797 -1.607) 7.560 5.345 ( -1.783 2.703 -4.979) 5.939 5.582 ( 2.277 -1.625 1.598) 3.222 5.754 ( 6.398 3.273 8.544) 11.164 5.839 ( -3.846 2.694 0.007) 4.696 6.022 ( 0.713 -4.096 10.396) 11.196 6.132 ( -5.136 -1.348 1.351) 5.479 6.585 ( 1.368 -1.054 -10.668) 10.807 6.726 ( 2.917 -1.876 -3.529) 4.947 6.822 ( -1.264 2.702 -7.166) 7.762 7.003 ( 3.977 -2.923 1.107) 5.058 7.519 ( -6.914 1.261 -1.924) 7.287 7.673 ( -0.201 -1.056 -1.848) 2.138 7.801 ( -3.720 0.764 3.317) 5.043 8.042 ( -3.671 4.516 -4.094) 7.115======================= Grid point 368 (181/196) =======================q-point: (-0.10 0.40 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 350Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.196 ( 2.843 7.334 1.163) 7.952 1.496 ( -8.205 7.269 -5.581) 12.301 1.560 ( 1.474 0.873 -5.585) 5.842 1.853 ( 7.413 -4.008 5.180) 9.892 1.958 ( 8.493 2.917 10.319) 13.679 2.011 ( 6.637 0.186 -5.988) 8.941 2.354 ( 6.930 4.778 2.258) 8.715 2.502 ( -5.177 -5.920 3.538) 8.624 2.602 ( 2.330 -9.565 0.233) 9.848 2.899 ( -1.983 -4.709 2.688) 5.774 2.980 ( -1.980 0.550 -5.282) 5.668 3.167 ( 4.933 -4.152 -2.625) 6.962 3.254 ( 6.373 -0.835 -3.119) 7.144 3.385 ( 8.938 3.215 3.576) 10.150 3.523 ( 6.583 -2.409 -8.129) 10.734 3.573 ( -0.115 4.575 9.281) 10.348 3.661 ( -1.688 4.097 3.998) 5.968 3.712 ( 0.544 1.281 -4.898) 5.092 3.946 ( -4.513 3.007 -1.155) 5.544 4.135 ( -2.941 -0.038 2.063) 3.592 4.445 ( 4.611 1.811 4.796) 6.895 4.524 ( -3.798 2.006 0.778) 4.365 4.562 ( -0.220 -2.103 1.541) 2.617 4.797 ( -0.125 3.655 -0.356) 3.675 4.930 ( 3.618 0.247 10.340) 10.957 5.034 ( -5.848 -1.365 -6.557) 8.891 5.168 ( -0.651 -4.193 3.885) 5.753 5.241 ( 1.341 -3.736 -0.732) 4.037 5.327 ( 3.197 -1.929 2.373) 4.424 5.625 ( 1.403 -1.452 0.451) 2.069 5.729 ( -4.727 3.344 -1.639) 6.018 5.855 ( 1.318 -0.331 7.414) 7.537 6.055 ( 3.583 -0.470 2.211) 4.236 6.123 ( 0.884 -3.003 9.434) 9.940 6.607 ( 1.690 -1.403 -8.700) 8.973 6.757 ( -0.025 -0.633 -4.315) 4.361 6.784 ( -0.637 2.082 -7.140) 7.464 7.062 ( -0.099 -1.008 -0.611) 1.183 7.377 ( -5.606 1.321 -1.750) 6.019 7.653 ( -2.364 -0.448 -3.116) 3.937 7.760 ( -1.254 -0.217 3.553) 3.774 7.947 ( -3.700 3.069 -2.488) 5.413======================= Grid point 374 (182/196) =======================q-point: ( 0.50 -0.50 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 195Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.438 ( 3.682 -0.000 11.447) 12.025 1.524 ( 7.002 0.000 10.210) 12.380 1.551 ( 1.592 -0.000 1.231) 2.012 1.639 ( -10.041 0.000 7.177) 12.342 1.772 ( 4.518 -0.000 1.471) 4.751 1.931 ( -4.009 -0.000 -10.064) 10.833 2.025 ( -9.294 0.000 0.079) 9.294 2.148 ( 4.176 0.000 -6.977) 8.131 2.603 ( 0.511 -0.000 7.168) 7.187 2.610 ( 8.812 0.000 5.996) 10.659 2.884 ( -3.014 0.000 5.611) 6.369 2.892 ( 2.144 -0.000 1.066) 2.395 3.073 ( -6.916 -0.000 -7.459) 10.171 3.100 ( 6.676 0.000 -6.554) 9.356 3.438 ( -5.985 -0.000 2.762) 6.591 3.462 ( 4.329 0.000 0.507) 4.359 3.909 ( 6.756 0.000 2.756) 7.297 3.911 ( -8.645 -0.000 1.209) 8.729 4.142 ( -5.165 0.000 3.082) 6.015 4.242 ( 4.380 -0.000 -4.907) 6.577 4.364 ( 6.546 0.000 6.134) 8.971 4.482 ( -6.811 0.000 -3.605) 7.707 4.578 ( 0.735 0.000 2.005) 2.135 4.691 ( -4.408 -0.000 -6.736) 8.050 4.912 ( 0.999 0.000 6.034) 6.116 4.991 ( -4.227 0.000 -0.229) 4.234 5.119 ( 5.669 0.000 7.489) 9.392 5.232 ( 0.249 -0.000 -2.387) 2.400 5.459 ( 5.332 0.000 -0.251) 5.338 5.537 ( -7.660 0.000 -7.495) 10.717 5.738 ( 4.039 -0.000 6.872) 7.972 5.837 ( -5.782 0.000 -2.147) 6.167 6.082 ( -4.066 0.000 10.490) 11.250 6.294 ( 0.289 0.000 -4.684) 4.693 6.496 ( 7.265 -0.000 -0.877) 7.317 6.569 ( -2.514 0.000 -10.523) 10.819 6.743 ( 4.778 0.000 11.574) 12.522 7.009 ( -3.504 0.000 -11.979) 12.481 7.614 ( -0.034 -0.000 2.276) 2.276 7.631 ( 1.544 0.000 0.860) 1.768 8.010 ( -3.700 0.000 3.682) 5.220 8.143 ( 3.477 0.000 -9.717) 10.320======================= Grid point 376 (183/196) =======================q-point: (-0.40 0.50 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 350Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.354 ( -6.468 6.316 3.021) 9.531 1.426 ( -4.658 -7.168 3.452) 9.219 1.706 ( 9.203 6.047 10.987) 15.556 1.754 ( -5.779 1.669 -3.813) 7.121 1.841 ( 11.422 -5.020 8.919) 15.337 1.878 ( 3.277 -0.548 -6.746) 7.520 2.034 ( 9.682 0.106 4.498) 10.676 2.207 ( 1.627 0.888 -4.804) 5.149 2.656 ( 7.047 2.675 -1.447) 7.675 2.682 ( -5.270 0.306 -3.175) 6.160 2.929 ( 10.193 1.512 7.823) 12.938 2.954 ( 4.812 0.662 1.682) 5.140 2.986 ( -1.341 -2.947 -6.488) 7.251 3.226 ( 4.366 -1.222 -3.686) 5.843 3.345 ( -2.460 0.202 0.898) 2.627 3.543 ( 4.469 -0.058 2.081) 4.930 3.761 ( -7.251 0.530 2.908) 7.830 3.972 ( -6.292 0.143 3.941) 7.426 4.077 ( 4.951 0.364 5.249) 7.225 4.221 ( -6.036 0.921 -6.215) 8.713 4.409 ( 1.341 1.039 -0.597) 1.798 4.525 ( 4.247 -0.587 2.640) 5.035 4.603 ( -0.271 0.805 -0.842) 1.196 4.632 ( 2.545 -1.990 3.895) 5.060 4.903 ( -2.853 1.599 2.274) 3.983 4.947 ( -0.038 -5.239 4.733) 7.060 5.198 ( -3.110 0.294 -0.890) 3.248 5.226 ( 2.855 -0.627 1.078) 3.116 5.424 ( -3.566 0.117 -8.036) 8.793 5.526 ( 1.892 0.123 1.339) 2.321 5.747 ( -1.338 2.393 1.996) 3.391 5.839 ( 5.090 -1.085 6.568) 8.380 6.001 ( -5.916 -1.245 10.041) 11.720 6.239 ( -5.629 -0.019 -1.011) 5.719 6.552 ( 1.613 -0.291 -13.487) 13.587 6.620 ( 5.707 -1.187 -1.852) 6.117 6.847 ( 5.101 0.677 8.868) 10.253 6.935 ( -2.956 -0.588 -11.843) 12.221 7.603 ( -1.836 -0.096 1.223) 2.208 7.654 ( 0.938 -0.282 -1.122) 1.490 7.914 ( -6.320 0.706 3.239) 7.137 8.151 ( -1.193 1.578 -7.640) 7.892======================= Grid point 377 (184/196) =======================q-point: (-0.30 0.50 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 350Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.272 ( 1.121 7.659 2.663) 8.186 1.449 ( 2.173 -8.545 0.575) 8.836 1.640 ( -3.952 1.658 1.075) 4.419 1.839 ( 2.951 3.700 2.287) 5.256 1.868 ( 5.252 1.689 3.289) 6.423 2.050 ( -0.660 7.488 -6.886) 10.195 2.217 ( 12.519 1.851 3.003) 13.007 2.297 ( 10.722 -5.048 7.899) 14.242 2.534 ( -10.285 -7.938 -5.322) 14.040 2.814 ( 8.292 -0.406 -4.689) 9.534 2.970 ( 0.745 0.488 -4.733) 4.816 3.064 ( 7.780 0.872 2.042) 8.091 3.172 ( 2.562 -0.068 2.359) 3.483 3.208 ( 6.138 -1.338 1.261) 6.407 3.407 ( 5.910 -0.457 -5.551) 8.121 3.626 ( 3.625 0.999 3.809) 5.352 3.670 ( -1.213 1.696 4.632) 5.079 3.819 ( -8.873 0.453 5.487) 10.442 4.094 ( -5.437 2.424 -4.487) 7.455 4.173 ( 2.190 1.137 2.388) 3.434 4.420 ( 0.257 2.716 2.689) 3.831 4.491 ( -1.081 -3.887 -1.822) 4.427 4.626 ( -1.905 1.340 2.770) 3.619 4.759 ( 7.704 -0.147 7.218) 10.559 4.893 ( 2.507 2.839 5.002) 6.274 5.015 ( 3.604 -8.409 2.886) 9.593 5.132 ( -3.126 -1.336 0.333) 3.416 5.180 ( -7.736 -1.255 -5.213) 9.413 5.371 ( -1.248 1.909 -7.757) 8.086 5.566 ( 2.149 -1.274 3.638) 4.413 5.790 ( 6.080 3.201 6.915) 9.748 5.859 ( -4.962 1.200 0.609) 5.141 5.979 ( 2.637 -3.650 13.107) 13.859 6.120 ( -6.508 -0.942 -0.280) 6.582 6.579 ( 2.069 -0.187 -12.290) 12.465 6.708 ( 3.228 -1.380 -2.288) 4.190 6.851 ( -1.741 2.589 -9.328) 9.836 6.971 ( 4.279 -2.775 3.899) 6.420 7.531 ( -6.175 0.830 -0.962) 6.304 7.664 ( 0.009 -0.561 -2.560) 2.620 7.808 ( -4.455 0.491 3.596) 5.746 8.080 ( -4.287 2.560 -5.074) 7.118======================= Grid point 378 (185/196) =======================q-point: (-0.20 0.50 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 350Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.270 ( 1.320 6.366 4.414) 7.858 1.562 ( 4.615 1.337 -4.625) 6.669 1.574 ( -3.591 4.953 -3.235) 6.921 1.818 ( 2.180 -2.253 3.485) 4.688 1.982 ( 6.339 2.148 3.223) 7.429 2.033 ( 5.403 3.210 -0.765) 6.331 2.353 ( -6.678 -7.288 -0.362) 9.892 2.452 ( 5.525 0.032 -1.485) 5.721 2.532 ( 8.610 -4.466 7.034) 11.982 2.855 ( -2.823 -3.329 1.869) 4.748 2.986 ( -2.799 0.884 -5.866) 6.560 3.106 ( 1.153 -6.239 -5.300) 8.267 3.257 ( 10.678 0.470 -1.231) 10.759 3.416 ( 8.826 2.419 3.952) 9.968 3.508 ( 5.240 -0.669 -6.680) 8.516 3.622 ( -2.209 4.373 9.936) 11.079 3.692 ( -1.542 1.618 4.172) 4.733 3.725 ( 2.695 1.026 -2.801) 4.020 3.982 ( -4.650 3.555 -1.026) 5.943 4.131 ( -4.279 -0.864 -0.545) 4.399 4.463 ( 4.367 1.530 4.762) 6.640 4.522 ( 1.026 -2.201 0.405) 2.462 4.558 ( -3.667 1.191 3.290) 5.069 4.838 ( -0.934 3.846 0.675) 4.015 4.941 ( 4.009 1.873 7.880) 9.037 5.019 ( -5.619 -1.368 -4.560) 7.365 5.111 ( -1.081 -6.188 2.454) 6.744 5.191 ( 7.690 -4.611 1.446) 9.083 5.333 ( -0.511 1.628 -2.168) 2.758 5.607 ( 1.033 -1.564 1.614) 2.473 5.757 ( -4.397 1.579 -0.821) 4.744 5.860 ( -0.693 1.511 6.536) 6.744 6.052 ( 4.496 -0.173 3.007) 5.412 6.084 ( 1.117 -4.183 9.826) 10.738 6.601 ( 1.623 0.128 -9.855) 9.989 6.746 ( 0.351 -1.168 -3.175) 3.402 6.808 ( -0.538 2.113 -8.812) 9.078 7.047 ( 1.342 -1.674 1.388) 2.555 7.391 ( -6.569 1.348 -1.505) 6.873 7.648 ( -1.899 -0.371 -3.624) 4.108 7.759 ( -1.508 -0.104 3.862) 4.147 7.976 ( -4.655 2.330 -3.213) 6.117======================= Grid point 379 (186/196) =======================q-point: (-0.10 0.50 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 350Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.255 ( -1.071 1.622 3.883) 4.343 1.377 ( -7.481 9.924 -5.129) 13.444 1.640 ( 4.197 3.298 -3.443) 6.352 2.018 ( 11.950 -5.728 5.493) 14.345 2.090 ( 3.702 -0.419 6.071) 7.123 2.136 ( 5.876 -1.200 -2.292) 6.420 2.262 ( -3.796 -8.392 -0.583) 9.229 2.508 ( 0.781 4.975 -0.360) 5.049 2.609 ( -2.283 0.497 -0.537) 2.397 2.817 ( -9.699 -1.207 -5.178) 11.061 2.924 ( 6.348 -4.214 8.285) 11.256 3.248 ( 7.951 -6.431 -3.351) 10.761 3.380 ( 1.774 4.831 -0.235) 5.152 3.484 ( 1.793 0.045 2.105) 2.765 3.545 ( -3.109 0.624 2.853) 4.266 3.600 ( -0.155 -1.799 -1.542) 2.375 3.678 ( 0.478 1.732 -3.662) 4.079 3.729 ( -0.525 4.449 -3.633) 5.767 3.941 ( 3.695 2.645 4.520) 6.409 4.106 ( 1.027 -1.841 2.887) 3.575 4.419 ( -6.298 5.160 -1.092) 8.215 4.527 ( -4.071 -1.368 -0.902) 4.388 4.571 ( 4.253 -0.752 5.194) 6.755 4.761 ( -2.480 -2.254 -1.248) 3.576 4.976 ( -0.589 1.871 -2.987) 3.573 5.014 ( 3.464 2.447 7.193) 8.350 5.137 ( 0.617 -4.534 2.268) 5.107 5.241 ( -0.779 0.973 0.181) 1.259 5.444 ( 9.351 -2.243 6.041) 11.356 5.610 ( -1.917 -1.374 -2.165) 3.202 5.688 ( -1.601 3.525 0.164) 3.875 5.813 ( -2.944 -2.940 1.294) 4.357 6.134 ( 0.847 -3.166 9.528) 10.076 6.180 ( 7.323 0.421 3.909) 8.311 6.620 ( 0.891 -1.067 -6.644) 6.788 6.727 ( -2.480 -0.402 -2.683) 3.676 6.791 ( 0.936 2.465 -7.095) 7.570 7.007 ( -4.936 1.288 -4.290) 6.665 7.336 ( 0.817 -0.744 2.017) 2.300 7.588 ( -4.236 0.213 -3.890) 5.755 7.753 ( 0.333 -0.392 3.518) 3.555 7.894 ( -2.782 1.313 -2.823) 4.175======================= Grid point 386 (187/196) =======================q-point: ( 0.60 -0.40 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.353 ( -1.635 -0.000 6.500) 6.703 1.364 ( 5.692 0.000 -1.848) 5.985 1.650 ( -4.209 -0.000 1.253) 4.391 1.847 ( 0.198 0.000 -4.872) 4.876 1.892 ( 8.237 0.000 9.106) 12.278 2.094 ( 1.770 0.000 -4.597) 4.926 2.232 ( 9.118 0.000 6.670) 11.297 2.264 ( 12.994 0.000 1.810) 13.119 2.486 ( -12.505 -0.000 -5.230) 13.555 2.812 ( 6.629 0.000 -4.638) 8.090 2.975 ( 2.053 0.000 -6.587) 6.900 3.068 ( 7.768 0.000 1.221) 7.863 3.169 ( -7.161 -0.000 -0.192) 7.164 3.204 ( 14.904 0.000 5.710) 15.961 3.404 ( 6.036 0.000 -5.283) 8.022 3.632 ( 4.835 0.000 4.078) 6.325 3.679 ( -1.659 -0.000 5.696) 5.932 3.822 ( -8.825 -0.000 5.768) 10.543 4.107 ( -5.344 -0.000 -4.203) 6.799 4.180 ( 1.922 0.000 2.015) 2.785 4.446 ( 1.519 0.000 3.705) 4.004 4.458 ( -2.606 -0.000 -2.883) 3.886 4.633 ( -2.342 -0.000 2.030) 3.099 4.757 ( 9.037 0.000 7.814) 11.947 4.933 ( 6.145 0.000 1.406) 6.304 4.944 ( 0.667 0.000 6.614) 6.648 5.124 ( -3.456 -0.000 0.646) 3.516 5.175 ( -8.081 -0.000 -5.965) 10.044 5.382 ( -1.067 -0.000 -9.176) 9.238 5.558 ( 2.088 0.000 4.767) 5.205 5.810 ( 6.003 0.000 5.429) 8.094 5.865 ( -5.534 -0.000 1.145) 5.651 5.957 ( 3.421 0.000 14.668) 15.061 6.114 ( -6.988 -0.000 -0.876) 7.043 6.578 ( 2.388 0.000 -13.070) 13.286 6.700 ( 3.341 0.000 -1.676) 3.738 6.867 ( -2.477 -0.000 -11.771) 12.029 6.954 ( 4.923 0.000 6.615) 8.246 7.535 ( -5.923 -0.000 -0.581) 5.952 7.661 ( 0.075 0.000 -2.861) 2.862 7.811 ( -4.720 -0.000 3.699) 5.997 8.094 ( -4.492 -0.000 -5.407) 7.030======================= Grid point 388 (188/196) =======================q-point: (-0.30 0.60 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 350Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.320 ( -1.615 2.703 6.050) 6.820 1.561 ( 11.641 -0.282 -3.191) 12.073 1.616 ( 1.401 2.013 1.161) 2.713 1.806 ( -5.043 -0.283 -0.982) 5.146 2.016 ( 5.003 3.955 3.583) 7.315 2.055 ( 2.804 0.101 -3.948) 4.843 2.265 ( -11.171 -6.061 -2.849) 13.025 2.471 ( 10.331 2.130 1.681) 10.681 2.495 ( 11.194 -2.675 7.940) 13.983 2.832 ( -3.097 -1.073 0.889) 3.396 3.001 ( -6.062 1.841 -6.270) 8.913 3.049 ( 2.608 -4.053 -5.623) 7.406 3.259 ( 11.547 0.055 -1.786) 11.685 3.434 ( 8.678 0.935 4.033) 9.615 3.505 ( 5.096 -0.022 -5.246) 7.313 3.658 ( -6.192 2.043 9.516) 11.536 3.701 ( 1.119 0.370 4.213) 4.374 3.730 ( 3.647 0.039 -0.425) 3.672 4.014 ( -3.857 2.052 -0.225) 4.375 4.120 ( -5.720 -0.875 -3.283) 6.653 4.478 ( 3.517 1.474 4.490) 5.891 4.498 ( 2.681 -2.094 3.074) 4.585 4.569 ( -3.951 0.611 2.065) 4.500 4.870 ( -1.557 1.857 1.140) 2.678 4.963 ( 2.758 1.745 5.449) 6.352 5.011 ( -3.972 0.269 -1.614) 4.296 5.051 ( 0.319 -4.334 1.344) 4.548 5.154 ( 8.691 -2.010 1.609) 9.064 5.347 ( -1.504 0.785 -4.730) 5.025 5.595 ( 1.093 -0.584 2.825) 3.085 5.764 ( -4.369 0.106 0.369) 4.386 5.881 ( -2.178 1.733 4.707) 5.468 6.042 ( 3.353 -2.127 11.022) 11.716 6.054 ( 3.309 -0.404 2.868) 4.398 6.605 ( 1.741 0.353 -10.603) 10.751 6.736 ( 0.488 -0.585 -2.744) 2.848 6.824 ( -0.675 0.883 -9.551) 9.616 7.032 ( 2.183 -0.834 2.739) 3.600 7.402 ( -6.985 0.561 -1.242) 7.117 7.645 ( -1.680 -0.153 -4.017) 4.356 7.758 ( -1.663 -0.024 4.074) 4.401 7.994 ( -5.184 0.861 -3.620) 6.381======================= Grid point 389 (189/196) =======================q-point: (-0.20 0.60 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 352Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.265 ( -4.265 0.527 4.797) 6.440 1.496 ( -7.514 11.550 -3.888) 14.317 1.659 ( -0.093 0.050 -1.999) 2.002 1.942 ( 13.574 -7.601 2.935) 15.832 2.098 ( 4.291 1.766 4.247) 6.290 2.127 ( 2.560 -0.464 -1.168) 2.852 2.182 ( 2.060 -6.345 -0.763) 6.714 2.547 ( -0.173 2.389 0.647) 2.481 2.626 ( -1.360 1.971 -0.814) 2.529 2.801 ( -5.409 -1.428 -1.197) 5.721 2.890 ( 4.310 -2.050 5.057) 6.954 3.190 ( 8.421 -4.161 -3.545) 10.040 3.425 ( 3.415 3.270 0.030) 4.728 3.478 ( -0.520 -0.865 1.260) 1.615 3.549 ( -3.950 0.271 1.775) 4.339 3.580 ( 0.903 -1.627 -3.030) 3.556 3.695 ( -1.667 1.310 -1.538) 2.619 3.772 ( 0.694 3.116 -0.551) 3.240 3.978 ( 2.803 4.359 3.428) 6.213 4.078 ( 0.942 -3.437 1.589) 3.902 4.469 ( -4.634 3.939 -1.532) 6.272 4.515 ( -3.767 -0.804 -1.343) 4.079 4.559 ( 2.892 -1.317 6.239) 7.002 4.735 ( -5.841 -2.373 0.588) 6.332 5.001 ( 0.535 2.968 -1.995) 3.615 5.045 ( 4.605 2.879 5.701) 7.874 5.090 ( 2.153 -4.378 1.701) 5.167 5.242 ( -1.322 -0.681 -1.541) 2.141 5.425 ( 10.176 -1.402 5.643) 11.720 5.603 ( -0.803 -0.094 -0.490) 0.945 5.717 ( -0.915 1.496 -1.486) 2.299 5.790 ( -4.913 -1.093 2.710) 5.717 6.101 ( 1.154 -2.631 10.173) 10.571 6.184 ( 7.414 0.272 4.042) 8.449 6.616 ( 0.505 0.095 -6.813) 6.833 6.721 ( -2.067 -0.668 -2.969) 3.679 6.814 ( 0.966 1.619 -7.350) 7.588 7.015 ( -4.210 0.282 -4.103) 5.885 7.332 ( 0.151 -0.129 2.505) 2.512 7.589 ( -4.107 -0.014 -4.135) 5.827 7.750 ( 0.263 -0.201 3.672) 3.687 7.905 ( -3.312 0.792 -3.059) 4.578======================= Grid point 390 (190/196) =======================q-point: (-0.10 -0.40 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 350Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.167 ( -6.696 -2.494 3.988) 8.183 1.344 ( -2.237 6.456 -1.796) 7.065 1.612 ( -6.413 -6.387 0.730) 9.080 2.108 ( 1.991 1.479 2.687) 3.657 2.179 ( 4.724 0.040 1.155) 4.863 2.251 ( 5.090 -0.095 1.428) 5.287 2.312 ( 7.950 -3.226 -1.384) 8.691 2.505 ( 1.455 2.537 2.086) 3.592 2.522 ( -7.317 -0.140 -4.308) 8.492 2.668 ( -4.312 2.441 -5.248) 7.218 3.098 ( 11.008 -1.701 12.713) 16.902 3.316 ( -6.762 1.034 -1.989) 7.124 3.348 ( 2.232 -3.304 -0.099) 3.989 3.451 ( -5.783 -1.152 1.966) 6.215 3.470 ( -3.571 -0.256 2.263) 4.235 3.593 ( 2.028 0.764 -2.485) 3.297 3.693 ( -1.479 3.690 -1.773) 4.353 3.720 ( -1.079 -0.558 -3.536) 3.739 4.060 ( 4.924 1.394 2.731) 5.800 4.145 ( 2.766 -1.662 1.732) 3.662 4.326 ( -5.573 4.018 -4.043) 7.972 4.427 ( -3.491 -0.001 1.550) 3.819 4.616 ( 1.222 -2.759 2.289) 3.788 4.712 ( -1.327 -5.325 5.321) 7.644 4.964 ( -2.515 2.170 -2.984) 4.465 5.095 ( 3.274 4.189 1.312) 5.476 5.177 ( 5.059 -0.591 0.673) 5.137 5.235 ( 0.202 -1.063 1.588) 1.922 5.567 ( -2.259 1.301 -2.429) 3.563 5.600 ( 5.916 -0.593 2.580) 6.481 5.674 ( -1.628 1.272 3.202) 3.811 5.775 ( 1.212 -1.703 -1.109) 2.366 6.140 ( 0.738 -2.698 8.889) 9.318 6.288 ( 3.303 0.370 -0.552) 3.369 6.611 ( -0.805 -1.100 0.803) 1.583 6.660 ( -4.297 0.405 -2.030) 4.769 6.821 ( 0.920 2.721 -6.214) 6.846 6.932 ( -1.614 -0.437 -7.537) 7.720 7.380 ( 3.317 -0.135 3.814) 5.057 7.500 ( -4.617 -0.278 -2.487) 5.252 7.775 ( 1.907 -0.409 2.809) 3.420 7.860 ( -1.101 0.457 -3.652) 3.841======================= Grid point 398 (191/196) =======================q-point: ( 0.70 -0.30 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 195Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.267 ( -5.156 -0.000 5.018) 7.194 1.581 ( -3.920 -0.000 -4.139) 5.701 1.644 ( -9.442 -0.000 0.357) 9.449 1.893 ( 17.383 0.000 0.443) 17.389 2.119 ( 2.722 0.000 7.619) 8.091 2.127 ( 0.729 0.000 -1.296) 1.487 2.135 ( 7.209 0.000 -3.765) 8.133 2.559 ( -0.265 -0.000 1.241) 1.269 2.638 ( -1.717 -0.000 -1.296) 2.151 2.793 ( -2.531 -0.000 1.349) 2.868 2.880 ( 2.847 0.000 3.008) 4.142 3.167 ( 8.528 0.000 -3.630) 9.269 3.442 ( 7.500 0.000 -2.209) 7.818 3.474 ( -5.134 -0.000 3.824) 6.401 3.551 ( -5.049 -0.000 1.576) 5.289 3.570 ( 1.938 0.000 -4.088) 4.524 3.702 ( -2.290 -0.000 -0.832) 2.436 3.789 ( 1.573 0.000 0.633) 1.695 4.019 ( 3.622 0.000 4.369) 5.675 4.043 ( -0.405 -0.000 -0.524) 0.663 4.492 ( -3.410 -0.000 -0.554) 3.455 4.510 ( -3.945 -0.000 -2.806) 4.841 4.551 ( 2.470 0.000 6.486) 6.941 4.720 ( -7.411 -0.000 1.531) 7.567 5.029 ( -1.092 -0.000 -2.687) 2.900 5.055 ( 4.636 0.000 2.690) 5.360 5.063 ( 5.405 0.000 5.214) 7.510 5.236 ( -1.776 -0.000 -2.262) 2.876 5.417 ( 10.236 0.000 5.434) 11.589 5.604 ( -0.235 -0.000 0.027) 0.237 5.722 ( -0.117 -0.000 -2.274) 2.277 5.787 ( -6.262 -0.000 3.505) 7.176 6.086 ( 1.410 0.000 10.400) 10.495 6.186 ( 7.445 0.000 4.076) 8.487 6.618 ( 0.277 0.000 -6.861) 6.867 6.717 ( -1.894 -0.000 -3.071) 3.608 6.822 ( 1.023 0.000 -7.403) 7.473 7.016 ( -3.916 -0.000 -4.037) 5.624 7.332 ( -0.105 -0.000 2.704) 2.706 7.588 ( -4.082 -0.000 -4.252) 5.894 7.749 ( 0.234 0.000 3.733) 3.740 7.910 ( -3.511 -0.000 -3.148) 4.716======================= Grid point 400 (192/196) =======================q-point: (-0.20 -0.30 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 350Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.150 ( -7.950 -0.738 4.190) 9.017 1.422 ( -6.428 7.746 -1.941) 10.252 1.532 ( -6.938 -8.014 1.723) 10.739 2.118 ( 2.526 0.380 3.074) 3.997 2.183 ( 6.084 0.521 1.179) 6.219 2.254 ( 8.718 0.847 0.008) 8.759 2.279 ( 7.602 -2.491 -0.777) 8.038 2.521 ( -7.723 -0.073 -4.454) 8.915 2.526 ( 0.946 1.110 3.053) 3.384 2.689 ( -4.121 1.251 -6.125) 7.487 3.089 ( 12.259 -0.286 13.470) 18.215 3.298 ( 1.788 -2.098 -1.605) 3.190 3.344 ( -6.233 0.738 -0.730) 6.319 3.445 ( -5.403 -0.133 2.914) 6.140 3.463 ( -4.970 -0.760 1.663) 5.295 3.597 ( 2.480 0.162 -3.299) 4.131 3.690 ( 1.424 -0.632 -6.483) 6.667 3.753 ( -5.122 2.488 2.227) 6.114 4.082 ( 4.061 2.569 1.906) 5.170 4.120 ( 3.647 -2.799 2.475) 5.221 4.352 ( -7.760 1.064 -10.186) 12.849 4.436 ( -1.905 1.106 4.789) 5.271 4.594 ( 0.934 -1.235 2.329) 2.796 4.667 ( -1.792 -2.638 8.325) 8.915 4.981 ( -3.382 0.863 -3.324) 4.820 5.139 ( 3.630 3.293 1.009) 5.004 5.172 ( 6.944 -0.261 0.987) 7.019 5.214 ( 0.093 -2.244 0.107) 2.248 5.579 ( -1.678 0.884 -2.362) 3.030 5.592 ( 5.875 -0.795 1.375) 6.086 5.690 ( -3.732 1.236 4.541) 6.006 5.759 ( 3.607 -0.950 -0.458) 3.758 6.118 ( 0.992 -1.160 9.432) 9.555 6.291 ( 3.192 0.136 -0.405) 3.220 6.604 ( -1.205 -0.295 1.320) 1.812 6.662 ( -3.707 0.039 -2.635) 4.548 6.845 ( 2.278 1.509 -5.444) 6.091 6.925 ( -3.688 -0.684 -9.162) 9.900 7.381 ( 4.071 0.147 4.868) 6.348 7.496 ( -5.227 -0.264 -3.011) 6.037 7.772 ( 1.847 -0.141 2.886) 3.429 7.863 ( -1.265 0.168 -3.729) 3.942======================= Grid point 401 (193/196) =======================q-point: (-0.10 -0.30 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 350Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.026 ( -6.711 -5.374 6.810) 10.968 1.317 ( -2.915 -0.202 -0.490) 2.963 1.478 ( -1.974 -4.186 1.633) 4.907 2.037 ( -12.366 -0.627 5.265) 13.455 2.157 ( -2.995 2.469 0.683) 3.941 2.298 ( -7.755 -0.983 -7.164) 10.603 2.416 ( 0.531 0.457 -0.069) 0.703 2.462 ( 10.349 4.862 -4.353) 12.235 2.644 ( 6.700 2.975 -0.400) 7.341 2.702 ( 8.724 -0.679 3.778) 9.531 3.164 ( -8.971 0.793 -2.556) 9.362 3.221 ( -4.529 0.017 5.109) 6.827 3.290 ( -2.218 -0.051 5.731) 6.145 3.364 ( -0.980 -0.531 3.459) 3.634 3.483 ( 3.122 -4.400 6.836) 8.708 3.597 ( -9.559 3.365 3.956) 10.878 3.607 ( -1.187 0.380 -2.820) 3.083 3.727 ( 2.475 -2.583 -8.060) 8.818 4.038 ( -6.555 1.055 -5.211) 8.440 4.149 ( -1.312 -1.274 0.561) 1.913 4.356 ( 8.154 0.262 -2.973) 8.683 4.447 ( 2.828 2.019 9.413) 10.034 4.598 ( -1.352 -2.424 -1.485) 3.148 4.666 ( -1.197 -4.286 6.898) 8.209 4.915 ( -2.480 0.210 -1.179) 2.754 5.170 ( 2.117 3.714 -2.936) 5.186 5.240 ( 0.952 -1.185 -0.517) 1.605 5.293 ( 5.768 2.907 -3.052) 7.144 5.520 ( -3.384 0.681 1.108) 3.625 5.630 ( -0.400 1.612 -0.247) 1.679 5.668 ( 0.220 -2.412 -3.101) 3.934 5.839 ( 4.363 1.038 3.274) 5.553 6.147 ( -0.146 -1.212 5.787) 5.914 6.293 ( -2.097 -0.432 -4.497) 4.981 6.578 ( -3.308 1.137 3.782) 5.151 6.598 ( -1.635 -0.974 4.242) 4.650 6.834 ( -0.102 4.416 -9.092) 10.108 6.947 ( 4.413 -4.305 -4.485) 7.624 7.393 ( -3.759 1.092 -1.521) 4.199 7.483 ( 4.610 -0.911 4.931) 6.812 7.820 ( 2.727 -0.406 1.777) 3.280 7.849 ( 0.161 -0.001 -4.177) 4.180======================= Grid point 410 (194/196) =======================q-point: (-0.20 -0.20 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.998 ( -8.208 -0.000 6.838) 10.683 1.317 ( -5.309 -0.000 0.126) 5.311 1.454 ( 0.134 0.000 1.500) 1.506 2.034 ( -12.107 -0.000 5.484) 13.291 2.172 ( -3.794 -0.000 0.760) 3.870 2.289 ( -6.515 -0.000 -6.417) 9.144 2.414 ( -2.222 -0.000 -1.473) 2.666 2.492 ( 14.941 0.000 -5.446) 15.903 2.675 ( 2.990 0.000 1.594) 3.388 2.686 ( 11.392 0.000 3.038) 11.790 3.165 ( -9.249 -0.000 -1.430) 9.359 3.230 ( -9.228 -0.000 0.090) 9.229 3.279 ( 4.439 0.000 11.488) 12.315 3.370 ( -2.532 -0.000 1.886) 3.157 3.454 ( 2.848 0.000 7.233) 7.774 3.609 ( -1.293 -0.000 -2.881) 3.158 3.617 ( -10.197 -0.000 3.738) 10.861 3.713 ( 2.172 0.000 -7.845) 8.140 4.046 ( -7.258 -0.000 -6.461) 9.717 4.140 ( -0.597 -0.000 1.756) 1.855 4.358 ( 8.199 0.000 -4.399) 9.305 4.459 ( 2.498 0.000 9.779) 10.093 4.585 ( -1.333 -0.000 -1.727) 2.182 4.641 ( -0.985 -0.000 8.177) 8.237 4.916 ( -2.777 -0.000 -1.407) 3.113 5.197 ( 1.376 0.000 -3.329) 3.602 5.226 ( 1.858 0.000 -1.112) 2.166 5.309 ( 6.773 0.000 -2.836) 7.342 5.524 ( -3.303 -0.000 1.237) 3.527 5.646 ( -1.635 -0.000 2.480) 2.971 5.647 ( 1.075 0.000 -5.578) 5.680 5.845 ( 4.408 0.000 3.513) 5.637 6.140 ( 0.207 0.000 6.027) 6.030 6.290 ( -2.445 -0.000 -4.493) 5.115 6.585 ( -1.371 -0.000 8.944) 9.048 6.592 ( -3.267 -0.000 -0.721) 3.346 6.869 ( -0.579 -0.000 -12.116) 12.130 6.912 ( 4.513 0.000 -1.948) 4.916 7.400 ( -4.507 -0.000 -1.683) 4.811 7.477 ( 5.493 0.000 5.297) 7.631 7.817 ( 2.697 0.000 1.940) 3.323 7.849 ( 0.008 0.000 -4.340) 4.340======================= Grid point 411 (195/196) =======================q-point: (-0.10 -0.20 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 350Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.901 ( -3.732 -4.710 10.472) 12.074 1.275 ( 0.065 -1.856 5.677) 5.973 1.505 ( 4.899 -0.351 -1.818) 5.237 1.766 ( -15.812 -0.550 8.754) 18.082 2.090 ( -5.322 1.108 -4.986) 7.377 2.125 ( -9.004 -0.312 -6.360) 11.028 2.353 ( -4.670 -0.488 -2.926) 5.532 2.699 ( 6.971 4.487 -3.939) 9.178 2.761 ( 3.987 4.159 3.317) 6.648 2.848 ( 4.163 -0.331 3.043) 5.167 2.987 ( -10.997 -0.770 7.225) 13.181 3.083 ( -3.793 -3.262 1.580) 5.246 3.259 ( -3.126 2.484 2.605) 4.768 3.324 ( -7.216 0.191 3.889) 8.200 3.425 ( -9.086 0.352 1.066) 9.155 3.521 ( 3.053 -2.008 5.208) 6.362 3.557 ( -3.997 -1.121 1.971) 4.596 3.775 ( 5.392 -1.538 -7.733) 9.552 3.927 ( -3.894 -0.259 -5.147) 6.459 4.137 ( 0.556 -0.122 2.477) 2.542 4.482 ( -1.424 0.452 3.706) 3.995 4.527 ( 8.725 0.525 -2.053) 8.978 4.572 ( 0.322 -1.221 -0.632) 1.412 4.657 ( 2.012 -1.708 5.956) 6.515 4.902 ( 1.382 -0.157 2.931) 3.244 5.183 ( -1.908 1.438 -7.313) 7.694 5.262 ( 1.854 0.057 -1.938) 2.683 5.329 ( -3.874 1.307 -4.598) 6.153 5.516 ( 2.301 4.413 0.207) 4.982 5.630 ( -0.848 0.554 1.216) 1.582 5.652 ( 0.917 -3.680 -4.323) 5.751 5.922 ( 3.769 0.267 2.822) 4.716 6.102 ( -4.575 -0.217 -0.978) 4.683 6.242 ( -1.429 -0.600 -1.595) 2.224 6.548 ( -1.542 2.349 4.661) 5.442 6.569 ( -1.434 -1.680 6.109) 6.496 6.856 ( 0.930 3.362 -10.185) 10.766 7.012 ( 4.522 -3.625 -0.137) 5.798 7.342 ( -0.930 0.007 0.066) 0.932 7.585 ( 5.633 0.297 4.321) 7.106 7.851 ( 0.657 -0.028 -4.422) 4.471 7.870 ( 2.549 -0.707 1.127) 2.875======================= Grid point 421 (196/196) =======================q-point: (-0.10 -0.10 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 195Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.896 ( 3.464 0.000 13.931) 14.355 1.328 ( 5.308 0.000 12.636) 13.705 1.519 ( -10.634 -0.000 11.260) 15.488 1.617 ( 6.863 0.000 -2.728) 7.386 1.965 ( -7.130 -0.000 -2.244) 7.475 1.974 ( -6.852 -0.000 -10.463) 12.507 2.257 ( -4.997 -0.000 -6.881) 8.504 2.613 ( -11.781 -0.000 -4.562) 12.633 2.688 ( -18.416 -0.000 12.068) 22.018 2.846 ( -0.756 -0.000 1.177) 1.399 2.897 ( -2.425 -0.000 7.250) 7.645 3.118 ( -12.011 -0.000 1.903) 12.161 3.133 ( 5.870 0.000 1.793) 6.137 3.201 ( -4.470 -0.000 0.542) 4.503 3.315 ( -1.962 -0.000 -2.026) 2.820 3.471 ( -4.605 -0.000 4.080) 6.153 3.607 ( 6.476 0.000 0.283) 6.483 3.898 ( 1.142 0.000 -0.866) 1.433 3.904 ( 9.694 0.000 -3.789) 10.408 4.135 ( -2.331 -0.000 1.331) 2.684 4.464 ( 0.117 0.000 -3.598) 3.600 4.558 ( -1.305 -0.000 2.857) 3.141 4.636 ( 3.213 0.000 0.351) 3.232 4.744 ( 5.892 0.000 -0.482) 5.911 4.957 ( 3.334 0.000 8.221) 8.871 5.114 ( -4.329 -0.000 -7.344) 8.525 5.238 ( -4.520 -0.000 -0.829) 4.595 5.290 ( 1.292 0.000 -2.714) 3.006 5.548 ( -1.132 -0.000 -3.112) 3.312 5.617 ( -0.837 -0.000 -4.447) 4.525 5.668 ( 2.266 0.000 3.322) 4.022 5.903 ( -7.200 -0.000 -6.110) 9.443 6.081 ( 4.419 0.000 3.196) 5.453 6.257 ( 3.008 0.000 0.287) 3.021 6.531 ( -1.129 -0.000 4.595) 4.731 6.551 ( -0.929 -0.000 5.939) 6.011 6.867 ( 0.201 0.000 -10.527) 10.529 7.038 ( -1.110 -0.000 -0.949) 1.461 7.392 ( 6.163 0.000 4.192) 7.453 7.687 ( 4.639 0.000 1.767) 4.964 7.859 ( 0.770 0.000 -4.175) 4.245 7.908 ( 1.535 0.000 0.697) 1.686=================== 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 3/29400 10.0 58.519 178.131 59.935 -0.000 19.579 -0.000 3/29400 20.0 17.402 30.661 18.935 -0.000 6.443 -0.000 3/29400 30.0 8.793 11.980 9.263 -0.000 2.933 -0.000 3/29400 40.0 5.711 6.723 5.866 -0.000 1.731 -0.000 3/29400 50.0 4.206 4.524 4.262 -0.000 1.188 -0.000 3/29400 60.0 3.333 3.378 3.358 -0.000 0.897 -0.000 3/29400 70.0 2.768 2.692 2.786 -0.000 0.721 -0.000 3/29400 80.0 2.373 2.242 2.392 -0.000 0.604 -0.000 3/29400 90.0 2.082 1.925 2.103 -0.000 0.521 -0.000 3/29400 100.0 1.858 1.689 1.882 -0.000 0.460 -0.000 3/29400 110.0 1.679 1.508 1.706 -0.000 0.412 -0.000 3/29400 120.0 1.533 1.363 1.562 -0.000 0.374 -0.000 3/29400 130.0 1.412 1.245 1.441 -0.000 0.342 -0.000 3/29400 140.0 1.309 1.147 1.339 -0.000 0.316 -0.000 3/29400 150.0 1.220 1.064 1.251 -0.000 0.294 -0.000 3/29400 160.0 1.143 0.992 1.174 -0.000 0.275 -0.000 3/29400 170.0 1.075 0.930 1.106 -0.000 0.258 -0.000 3/29400 180.0 1.015 0.875 1.046 -0.000 0.243 -0.000 3/29400 190.0 0.962 0.827 0.992 -0.000 0.230 -0.000 3/29400 200.0 0.914 0.784 0.943 -0.000 0.218 -0.000 3/29400 210.0 0.870 0.745 0.899 -0.000 0.207 -0.000 3/29400 220.0 0.831 0.710 0.859 -0.000 0.198 -0.000 3/29400 230.0 0.795 0.678 0.822 -0.000 0.189 -0.000 3/29400 240.0 0.762 0.649 0.789 -0.000 0.181 -0.000 3/29400 250.0 0.732 0.623 0.758 -0.000 0.174 -0.000 3/29400 260.0 0.703 0.598 0.729 -0.000 0.167 -0.000 3/29400 270.0 0.678 0.576 0.703 -0.000 0.161 -0.000 3/29400 280.0 0.653 0.555 0.678 -0.000 0.155 -0.000 3/29400 290.0 0.631 0.535 0.655 -0.000 0.150 -0.000 3/29400 300.0 0.610 0.517 0.633 -0.000 0.145 -0.000 3/29400 310.0 0.591 0.500 0.613 -0.000 0.140 -0.000 3/29400 320.0 0.572 0.484 0.594 -0.000 0.135 -0.000 3/29400 330.0 0.555 0.469 0.577 -0.000 0.131 -0.000 3/29400 340.0 0.539 0.456 0.560 -0.000 0.127 -0.000 3/29400 350.0 0.523 0.442 0.544 -0.000 0.124 -0.000 3/29400 360.0 0.509 0.430 0.529 -0.000 0.120 -0.000 3/29400 370.0 0.495 0.418 0.515 -0.000 0.117 -0.000 3/29400 380.0 0.482 0.407 0.502 -0.000 0.114 -0.000 3/29400 390.0 0.470 0.397 0.489 -0.000 0.111 -0.000 3/29400 400.0 0.458 0.387 0.477 -0.000 0.108 -0.000 3/29400 410.0 0.447 0.377 0.465 -0.000 0.106 -0.000 3/29400 420.0 0.437 0.368 0.455 -0.000 0.103 -0.000 3/29400 430.0 0.426 0.359 0.444 -0.000 0.101 -0.000 3/29400 440.0 0.417 0.351 0.434 -0.000 0.098 -0.000 3/29400 450.0 0.408 0.343 0.425 -0.000 0.096 -0.000 3/29400 460.0 0.399 0.336 0.415 -0.000 0.094 -0.000 3/29400 470.0 0.390 0.329 0.407 -0.000 0.092 -0.000 3/29400 480.0 0.382 0.322 0.398 -0.000 0.090 -0.000 3/29400 490.0 0.374 0.315 0.390 -0.000 0.088 -0.000 3/29400 500.0 0.367 0.309 0.382 -0.000 0.087 -0.000 3/29400 510.0 0.360 0.303 0.375 -0.000 0.085 -0.000 3/29400 520.0 0.353 0.297 0.368 -0.000 0.083 -0.000 3/29400 530.0 0.346 0.291 0.361 -0.000 0.082 -0.000 3/29400 540.0 0.340 0.286 0.354 -0.000 0.080 -0.000 3/29400 550.0 0.334 0.281 0.348 -0.000 0.079 -0.000 3/29400 560.0 0.328 0.276 0.342 -0.000 0.077 -0.000 3/29400 570.0 0.322 0.271 0.336 -0.000 0.076 -0.000 3/29400 580.0 0.317 0.266 0.330 -0.000 0.075 -0.000 3/29400 590.0 0.311 0.262 0.325 -0.000 0.073 -0.000 3/29400 600.0 0.306 0.257 0.319 -0.000 0.072 -0.000 3/29400 610.0 0.301 0.253 0.314 -0.000 0.071 -0.000 3/29400 620.0 0.296 0.249 0.309 -0.000 0.070 -0.000 3/29400 630.0 0.291 0.245 0.304 -0.000 0.069 -0.000 3/29400 640.0 0.287 0.241 0.299 -0.000 0.068 -0.000 3/29400 650.0 0.283 0.237 0.295 -0.000 0.067 -0.000 3/29400 660.0 0.278 0.234 0.290 -0.000 0.066 -0.000 3/29400 670.0 0.274 0.230 0.286 -0.000 0.065 -0.000 3/29400 680.0 0.270 0.227 0.282 -0.000 0.064 -0.000 3/29400 690.0 0.266 0.224 0.278 -0.000 0.063 -0.000 3/29400 700.0 0.262 0.220 0.274 -0.000 0.062 -0.000 3/29400 710.0 0.259 0.217 0.270 -0.000 0.061 -0.000 3/29400 720.0 0.255 0.214 0.266 -0.000 0.060 -0.000 3/29400 730.0 0.252 0.211 0.263 -0.000 0.059 -0.000 3/29400 740.0 0.248 0.209 0.259 -0.000 0.059 -0.000 3/29400 750.0 0.245 0.206 0.256 -0.000 0.058 -0.000 3/29400 760.0 0.242 0.203 0.252 -0.000 0.057 -0.000 3/29400 770.0 0.239 0.200 0.249 -0.000 0.056 -0.000 3/29400 780.0 0.236 0.198 0.246 -0.000 0.056 -0.000 3/29400 790.0 0.233 0.195 0.243 -0.000 0.055 -0.000 3/29400 800.0 0.230 0.193 0.240 -0.000 0.054 -0.000 3/29400 810.0 0.227 0.191 0.237 -0.000 0.053 -0.000 3/29400 820.0 0.224 0.188 0.234 -0.000 0.053 -0.000 3/29400 830.0 0.221 0.186 0.231 -0.000 0.052 -0.000 3/29400 840.0 0.219 0.184 0.228 -0.000 0.052 -0.000 3/29400 850.0 0.216 0.182 0.226 -0.000 0.051 -0.000 3/29400 860.0 0.214 0.179 0.223 -0.000 0.050 -0.000 3/29400 870.0 0.211 0.177 0.221 -0.000 0.050 -0.000 3/29400 880.0 0.209 0.175 0.218 -0.000 0.049 -0.000 3/29400 890.0 0.207 0.173 0.216 -0.000 0.049 -0.000 3/29400 900.0 0.204 0.171 0.213 -0.000 0.048 -0.000 3/29400 910.0 0.202 0.170 0.211 -0.000 0.048 -0.000 3/29400 920.0 0.200 0.168 0.209 -0.000 0.047 -0.000 3/29400 930.0 0.198 0.166 0.206 -0.000 0.047 -0.000 3/29400 940.0 0.196 0.164 0.204 -0.000 0.046 -0.000 3/29400 950.0 0.193 0.162 0.202 -0.000 0.046 -0.000 3/29400 960.0 0.191 0.161 0.200 -0.000 0.045 -0.000 3/29400 970.0 0.190 0.159 0.198 -0.000 0.045 -0.000 3/29400 980.0 0.188 0.157 0.196 -0.000 0.044 -0.000 3/29400 990.0 0.186 0.156 0.194 -0.000 0.044 -0.000 3/29400 1000.0 0.184 0.154 0.192 -0.000 0.043 -0.000 3/29400Thermal conductivity related properties were written into "kappa-m10107.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-09 00:00:54]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|