# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/501ee368-048b-4966-8098-737a52c7b8e2/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 BaLu2O4 / Cmcm (63) / materials id 780535](https://mdr.nims.go.jp/datasets/f94eb911-6d83-4171-a2f3-c0c66c93baff) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-09 03:51:34]-------------------------Compiled with OpenMP support (max 128 threads).Running in phonopy.load mode.Python version 3.14.2Spglib version 2.6.1Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".Unit of length: angstromSettings: Supercell: [4 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.]Spacegroup: Cmcm (63)Number of symmetry operations in supercell: 64------------------------------ primitive cell ------------------------------Lattice vectors: a 1.665967515000000 -5.475272754999999 0.000000000000000 b 1.665967515000000 5.475272754999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.199611910000000Atomic positions (fractional): *1 Ba 0.88708779529425 0.11291220470575 0.25000000000000 137.327 2 Ba 0.11291220470575 0.88708779529425 0.75000000000000 137.327 *3 Lu 0.63477004467044 0.36522995532956 0.43025121498778 174.967 4 Lu 0.63477004467044 0.36522995532956 0.06974878501222 174.967 5 Lu 0.36522995532956 0.63477004467044 0.56974878501222 174.967 6 Lu 0.36522995532956 0.63477004467044 0.93025121498778 174.967 *7 O 0.00000000000000 0.00000000000000 0.00000000000000 15.999 8 O 0.00000000000000 0.00000000000000 0.50000000000000 15.999 *9 O 0.56933907251165 0.43066092748835 0.25000000000000 15.999 *10 O 0.74026035543942 0.25973964456058 0.59991768485258 15.999 11 O 0.74026035543942 0.25973964456058 0.90008231514742 15.999 12 O 0.43066092748835 0.56933907251165 0.75000000000000 15.999 13 O 0.25973964456058 0.74026035543942 0.40008231514742 15.999 14 O 0.25973964456058 0.74026035543942 0.09991768485258 15.999-------------------------------- unit cell ---------------------------------Lattice vectors: a 3.331935030000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.950545509999998 0.000000000000000 c 0.000000000000000 0.000000000000000 11.199611910000000Atomic positions (fractional): *1 Ba 0.00000000000000 0.11291220470575 0.25000000000000 137.327 > 1 2 Ba 0.50000000000000 0.38708779529425 0.75000000000000 137.327 > 2 3 Ba 0.50000000000000 0.61291220470575 0.25000000000000 137.327 > 1 4 Ba 0.00000000000000 0.88708779529425 0.75000000000000 137.327 > 2 *5 Lu 0.00000000000000 0.36522995532956 0.43025121498778 174.967 > 3 6 Lu 0.00000000000000 0.36522995532956 0.06974878501222 174.967 > 4 7 Lu 0.50000000000000 0.13477004467044 0.56974878501222 174.967 > 5 8 Lu 0.50000000000000 0.13477004467044 0.93025121498778 174.967 > 6 9 Lu 0.50000000000000 0.86522995532956 0.43025121498778 174.967 > 3 10 Lu 0.50000000000000 0.86522995532956 0.06974878501222 174.967 > 4 11 Lu 0.00000000000000 0.63477004467044 0.56974878501222 174.967 > 5 12 Lu 0.00000000000000 0.63477004467044 0.93025121498778 174.967 > 6 *13 O 0.00000000000000 0.00000000000000 0.00000000000000 15.999 > 7 14 O 0.00000000000000 0.00000000000000 0.50000000000000 15.999 > 8 *15 O 0.00000000000000 0.43066092748835 0.25000000000000 15.999 > 9 *16 O 0.00000000000000 0.25973964456058 0.59991768485258 15.999 > 10 17 O 0.00000000000000 0.25973964456058 0.90008231514742 15.999 > 11 18 O 0.50000000000000 0.06933907251165 0.75000000000000 15.999 > 12 19 O 0.50000000000000 0.24026035543942 0.40008231514742 15.999 > 13 20 O 0.50000000000000 0.24026035543942 0.09991768485258 15.999 > 14 21 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 > 7 22 O 0.50000000000000 0.50000000000000 0.50000000000000 15.999 > 8 23 O 0.50000000000000 0.93066092748835 0.25000000000000 15.999 > 9 24 O 0.50000000000000 0.75973964456058 0.59991768485258 15.999 > 10 25 O 0.50000000000000 0.75973964456058 0.90008231514742 15.999 > 11 26 O 0.00000000000000 0.56933907251165 0.75000000000000 15.999 > 12 27 O 0.00000000000000 0.74026035543942 0.40008231514742 15.999 > 13 28 O 0.00000000000000 0.74026035543942 0.09991768485258 15.999 > 14-------------------------------- super cell --------------------------------Lattice vectors: a 13.327740120000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.950545509999998 0.000000000000000 c 0.000000000000000 0.000000000000000 11.199611910000000Atomic positions (fractional): *1 Ba 0.00000000000000 0.11291220470575 0.25000000000000 137.327 > 1 2 Ba 0.25000000000000 0.11291220470575 0.25000000000000 137.327 > 1 3 Ba 0.50000000000000 0.11291220470575 0.25000000000000 137.327 > 1 4 Ba 0.75000000000000 0.11291220470575 0.25000000000000 137.327 > 1 5 Ba 0.12500000000000 0.38708779529425 0.75000000000000 137.327 > 2 6 Ba 0.37500000000000 0.38708779529425 0.75000000000000 137.327 > 2 7 Ba 0.62500000000000 0.38708779529425 0.75000000000000 137.327 > 2 8 Ba 0.87500000000000 0.38708779529425 0.75000000000000 137.327 > 2 9 Ba 0.12500000000000 0.61291220470575 0.25000000000000 137.327 > 1 10 Ba 0.37500000000000 0.61291220470575 0.25000000000000 137.327 > 1 11 Ba 0.62500000000000 0.61291220470575 0.25000000000000 137.327 > 1 12 Ba 0.87500000000000 0.61291220470575 0.25000000000000 137.327 > 1 13 Ba 0.00000000000000 0.88708779529425 0.75000000000000 137.327 > 2 14 Ba 0.25000000000000 0.88708779529425 0.75000000000000 137.327 > 2 15 Ba 0.50000000000000 0.88708779529425 0.75000000000000 137.327 > 2 16 Ba 0.75000000000000 0.88708779529425 0.75000000000000 137.327 > 2 *17 Lu 0.00000000000000 0.36522995532956 0.43025121498778 174.967 > 3 18 Lu 0.25000000000000 0.36522995532956 0.43025121498778 174.967 > 3 19 Lu 0.50000000000000 0.36522995532956 0.43025121498778 174.967 > 3 20 Lu 0.75000000000000 0.36522995532956 0.43025121498778 174.967 > 3 21 Lu 0.00000000000000 0.36522995532956 0.06974878501222 174.967 > 4 22 Lu 0.25000000000000 0.36522995532956 0.06974878501222 174.967 > 4 23 Lu 0.50000000000000 0.36522995532956 0.06974878501222 174.967 > 4 24 Lu 0.75000000000000 0.36522995532956 0.06974878501222 174.967 > 4 25 Lu 0.12500000000000 0.13477004467044 0.56974878501222 174.967 > 5 26 Lu 0.37500000000000 0.13477004467044 0.56974878501222 174.967 > 5 27 Lu 0.62500000000000 0.13477004467044 0.56974878501222 174.967 > 5 28 Lu 0.87500000000000 0.13477004467044 0.56974878501222 174.967 > 5 29 Lu 0.12500000000000 0.13477004467044 0.93025121498778 174.967 > 6 30 Lu 0.37500000000000 0.13477004467044 0.93025121498778 174.967 > 6 31 Lu 0.62500000000000 0.13477004467044 0.93025121498778 174.967 > 6 32 Lu 0.87500000000000 0.13477004467044 0.93025121498778 174.967 > 6 33 Lu 0.12500000000000 0.86522995532956 0.43025121498778 174.967 > 3 34 Lu 0.37500000000000 0.86522995532956 0.43025121498778 174.967 > 3 35 Lu 0.62500000000000 0.86522995532956 0.43025121498778 174.967 > 3 36 Lu 0.87500000000000 0.86522995532956 0.43025121498778 174.967 > 3 37 Lu 0.12500000000000 0.86522995532956 0.06974878501222 174.967 > 4 38 Lu 0.37500000000000 0.86522995532956 0.06974878501222 174.967 > 4 39 Lu 0.62500000000000 0.86522995532956 0.06974878501222 174.967 > 4 40 Lu 0.87500000000000 0.86522995532956 0.06974878501222 174.967 > 4 41 Lu 0.00000000000000 0.63477004467044 0.56974878501222 174.967 > 5 42 Lu 0.25000000000000 0.63477004467044 0.56974878501222 174.967 > 5 43 Lu 0.50000000000000 0.63477004467044 0.56974878501222 174.967 > 5 44 Lu 0.75000000000000 0.63477004467044 0.56974878501222 174.967 > 5 45 Lu 0.00000000000000 0.63477004467044 0.93025121498778 174.967 > 6 46 Lu 0.25000000000000 0.63477004467044 0.93025121498778 174.967 > 6 47 Lu 0.50000000000000 0.63477004467044 0.93025121498778 174.967 > 6 48 Lu 0.75000000000000 0.63477004467044 0.93025121498778 174.967 > 6 *49 O 0.00000000000000 0.00000000000000 0.00000000000000 15.999 > 7 50 O 0.25000000000000 0.00000000000000 0.00000000000000 15.999 > 7 51 O 0.50000000000000 0.00000000000000 0.00000000000000 15.999 > 7 52 O 0.75000000000000 0.00000000000000 0.00000000000000 15.999 > 7 53 O 0.00000000000000 0.00000000000000 0.50000000000000 15.999 > 8 54 O 0.25000000000000 0.00000000000000 0.50000000000000 15.999 > 8 55 O 0.50000000000000 0.00000000000000 0.50000000000000 15.999 > 8 56 O 0.75000000000000 0.00000000000000 0.50000000000000 15.999 > 8 *57 O 0.00000000000000 0.43066092748835 0.25000000000000 15.999 > 9 58 O 0.25000000000000 0.43066092748835 0.25000000000000 15.999 > 9 59 O 0.50000000000000 0.43066092748835 0.25000000000000 15.999 > 9 60 O 0.75000000000000 0.43066092748835 0.25000000000000 15.999 > 9 *61 O 0.00000000000000 0.25973964456058 0.59991768485258 15.999 > 10 62 O 0.25000000000000 0.25973964456058 0.59991768485258 15.999 > 10 63 O 0.50000000000000 0.25973964456058 0.59991768485258 15.999 > 10 64 O 0.75000000000000 0.25973964456058 0.59991768485258 15.999 > 10 65 O 0.00000000000000 0.25973964456058 0.90008231514742 15.999 > 11 66 O 0.25000000000000 0.25973964456058 0.90008231514742 15.999 > 11 67 O 0.50000000000000 0.25973964456058 0.90008231514742 15.999 > 11 68 O 0.75000000000000 0.25973964456058 0.90008231514742 15.999 > 11 69 O 0.12500000000000 0.06933907251165 0.75000000000000 15.999 > 12 70 O 0.37500000000000 0.06933907251165 0.75000000000000 15.999 > 12 71 O 0.62500000000000 0.06933907251165 0.75000000000000 15.999 > 12 72 O 0.87500000000000 0.06933907251165 0.75000000000000 15.999 > 12 73 O 0.12500000000000 0.24026035543942 0.40008231514742 15.999 > 13 74 O 0.37500000000000 0.24026035543942 0.40008231514742 15.999 > 13 75 O 0.62500000000000 0.24026035543942 0.40008231514742 15.999 > 13 76 O 0.87500000000000 0.24026035543942 0.40008231514742 15.999 > 13 77 O 0.12500000000000 0.24026035543942 0.09991768485258 15.999 > 14 78 O 0.37500000000000 0.24026035543942 0.09991768485258 15.999 > 14 79 O 0.62500000000000 0.24026035543942 0.09991768485258 15.999 > 14 80 O 0.87500000000000 0.24026035543942 0.09991768485258 15.999 > 14 81 O 0.12500000000000 0.50000000000000 0.00000000000000 15.999 > 7 82 O 0.37500000000000 0.50000000000000 0.00000000000000 15.999 > 7 83 O 0.62500000000000 0.50000000000000 0.00000000000000 15.999 > 7 84 O 0.87500000000000 0.50000000000000 0.00000000000000 15.999 > 7 85 O 0.12500000000000 0.50000000000000 0.50000000000000 15.999 > 8 86 O 0.37500000000000 0.50000000000000 0.50000000000000 15.999 > 8 87 O 0.62500000000000 0.50000000000000 0.50000000000000 15.999 > 8 88 O 0.87500000000000 0.50000000000000 0.50000000000000 15.999 > 8 89 O 0.12500000000000 0.93066092748835 0.25000000000000 15.999 > 9 90 O 0.37500000000000 0.93066092748835 0.25000000000000 15.999 > 9 91 O 0.62500000000000 0.93066092748835 0.25000000000000 15.999 > 9 92 O 0.87500000000000 0.93066092748835 0.25000000000000 15.999 > 9 93 O 0.12500000000000 0.75973964456058 0.59991768485258 15.999 > 10 94 O 0.37500000000000 0.75973964456058 0.59991768485258 15.999 > 10 95 O 0.62500000000000 0.75973964456058 0.59991768485258 15.999 > 10 96 O 0.87500000000000 0.75973964456058 0.59991768485258 15.999 > 10 97 O 0.12500000000000 0.75973964456058 0.90008231514742 15.999 > 11 98 O 0.37500000000000 0.75973964456058 0.90008231514742 15.999 > 11 99 O 0.62500000000000 0.75973964456058 0.90008231514742 15.999 > 11 100 O 0.87500000000000 0.75973964456058 0.90008231514742 15.999 > 11 101 O 0.00000000000000 0.56933907251165 0.75000000000000 15.999 > 12 102 O 0.25000000000000 0.56933907251165 0.75000000000000 15.999 > 12 103 O 0.50000000000000 0.56933907251165 0.75000000000000 15.999 > 12 104 O 0.75000000000000 0.56933907251165 0.75000000000000 15.999 > 12 105 O 0.00000000000000 0.74026035543942 0.40008231514742 15.999 > 13 106 O 0.25000000000000 0.74026035543942 0.40008231514742 15.999 > 13 107 O 0.50000000000000 0.74026035543942 0.40008231514742 15.999 > 13 108 O 0.75000000000000 0.74026035543942 0.40008231514742 15.999 > 13 109 O 0.00000000000000 0.74026035543942 0.09991768485258 15.999 > 14 110 O 0.25000000000000 0.74026035543942 0.09991768485258 15.999 > 14 111 O 0.50000000000000 0.74026035543942 0.09991768485258 15.999 > 14 112 O 0.75000000000000 0.74026035543942 0.09991768485258 15.999 > 14----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 4.4734240 0.0000000 0.0000000 0.0000000 4.3408974 0.0000000 0.0000000 0.0000000 4.1638422-------------------------- Born effective charges -------------------------- 1 Ba 2.7018515 0.0000000 0.0000000 0.0000000 2.9348375 0.0000000 0.0000000 0.0000000 2.4905501 2 Ba 2.7018515 0.0000000 0.0000000 0.0000000 2.9348375 0.0000000 0.0000000 0.0000000 2.4905501 3 Lu 3.9611885 0.0000000 0.0000000 0.0000000 3.5978587 -0.3819643 0.0000000 -0.3570128 3.6224775 4 Lu 3.9611885 0.0000000 0.0000000 0.0000000 3.5978587 0.3819643 0.0000000 0.3570128 3.6224775 5 Lu 3.9611885 0.0000000 0.0000000 0.0000000 3.5978587 -0.3819643 0.0000000 -0.3570128 3.6224775 6 Lu 3.9611885 0.0000000 0.0000000 0.0000000 3.5978587 0.3819643 0.0000000 0.3570128 3.6224775 7 O -2.9789987 0.0000000 0.0000000 0.0000000 -2.5816399 0.4238486 0.0000000 0.4027659 -1.9709631 8 O -2.9789987 0.0000000 0.0000000 0.0000000 -2.5816399 -0.4238486 0.0000000 -0.4027659 -1.9709631 9 O -1.9254214 0.0000000 0.0000000 0.0000000 -2.5455944 0.0000000 0.0000000 0.0000000 -3.2572569 10 O -2.8599042 0.0000000 0.0000000 0.0000000 -2.5016603 -0.1146637 0.0000000 -0.0174943 -2.2536426 11 O -2.8599042 0.0000000 0.0000000 0.0000000 -2.5016603 0.1146637 0.0000000 0.0174943 -2.2536426 12 O -1.9254214 0.0000000 0.0000000 0.0000000 -2.5455944 0.0000000 0.0000000 0.0000000 -3.2572569 13 O -2.8599042 0.0000000 0.0000000 0.0000000 -2.5016603 -0.1146637 0.0000000 -0.0174943 -2.2536426 14 O -2.8599042 0.0000000 0.0000000 0.0000000 -2.5016603 0.1146637 0.0000000 0.0174943 -2.2536426----------------------------------------------------------------------------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: 8736/8736Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 1028Number of blocks in projector: 1028Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 230Use standard eigh solver.--- Eigsh_solver_block: 2 / 6 ---Block_size: 170Use standard eigh solver.--- Eigsh_solver_block: 3 / 6 ---Block_size: 170Use standard eigh solver.--- Eigsh_solver_block: 4 / 6 ---Block_size: 170Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 156Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 132Use standard eigh solver.Tree of FC basis block matrices:- (1028, 1007), data: False|-- (132, 132), data: True|-- (156, 156), data: True|-- (170, 165), data: True|-- (170, 165), data: True|-- (170, 165), data: True|-- (230, 224), data: True-----Solver_atoms: 1 -- 112 / 112Time (Solver_compr_matrix_reshape): 0.003Solver_block: 100 / 240 - Time: 1.052Solver_block: 200 / 240 - Time: 1.058Solver_block: 240 / 240 - Time: 0.487Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.623--------------------------------- Symfc end --------------------------------Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 336/336Permutation basis: 8736/8736Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 1028Number of blocks in projector: 1028Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 230Use standard eigh solver.--- Eigsh_solver_block: 2 / 6 ---Block_size: 170Use standard eigh solver.--- Eigsh_solver_block: 3 / 6 ---Block_size: 170Use standard eigh solver.--- Eigsh_solver_block: 4 / 6 ---Block_size: 170Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 156Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 132Use standard eigh solver.Tree of FC basis block matrices:- (1028, 1007), data: False|-- (132, 132), data: True|-- (156, 156), data: True|-- (170, 165), data: True|-- (170, 165), data: True|-- (170, 165), data: True|-- (230, 224), data: TrueMax drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-09 03:51:47]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-09 03:51:47]-------------------------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): [4 1 1]Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.]Spacegroup: Cmcm (63)------------------------------ primitive cell ------------------------------Lattice vectors: a 1.665967515000000 -5.475272754999999 0.000000000000000 b 1.665967515000000 5.475272754999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.199611910000000Atomic positions (fractional): 1 Ba 0.88708779529425 0.11291220470575 0.25000000000000 137.327 2 Ba 0.11291220470575 0.88708779529425 0.75000000000000 137.327 3 Lu 0.63477004467044 0.36522995532956 0.43025121498778 174.967 4 Lu 0.63477004467044 0.36522995532956 0.06974878501222 174.967 5 Lu 0.36522995532956 0.63477004467044 0.56974878501222 174.967 6 Lu 0.36522995532956 0.63477004467044 0.93025121498778 174.967 7 O 0.00000000000000 0.00000000000000 0.00000000000000 15.999 8 O 0.00000000000000 0.00000000000000 0.50000000000000 15.999 9 O 0.56933907251165 0.43066092748835 0.25000000000000 15.999 10 O 0.74026035543942 0.25973964456058 0.59991768485258 15.999 11 O 0.74026035543942 0.25973964456058 0.90008231514742 15.999 12 O 0.43066092748835 0.56933907251165 0.75000000000000 15.999 13 O 0.25973964456058 0.74026035543942 0.40008231514742 15.999 14 O 0.25973964456058 0.74026035543942 0.09991768485258 15.999-------------------------------- supercell ---------------------------------Lattice vectors: a 13.327740120000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.950545509999998 0.000000000000000 c 0.000000000000000 0.000000000000000 11.199611910000000Atomic positions (fractional): 1 Ba 0.00000000000000 0.11291220470575 0.25000000000000 137.327 > 1 2 Ba 0.25000000000000 0.11291220470575 0.25000000000000 137.327 > 1 3 Ba 0.50000000000000 0.11291220470575 0.25000000000000 137.327 > 1 4 Ba 0.75000000000000 0.11291220470575 0.25000000000000 137.327 > 1 5 Ba 0.12500000000000 0.38708779529425 0.75000000000000 137.327 > 5 6 Ba 0.37500000000000 0.38708779529425 0.75000000000000 137.327 > 5 7 Ba 0.62500000000000 0.38708779529425 0.75000000000000 137.327 > 5 8 Ba 0.87500000000000 0.38708779529425 0.75000000000000 137.327 > 5 9 Ba 0.12500000000000 0.61291220470575 0.25000000000000 137.327 > 1 10 Ba 0.37500000000000 0.61291220470575 0.25000000000000 137.327 > 1 11 Ba 0.62500000000000 0.61291220470575 0.25000000000000 137.327 > 1 12 Ba 0.87500000000000 0.61291220470575 0.25000000000000 137.327 > 1 13 Ba 0.00000000000000 0.88708779529425 0.75000000000000 137.327 > 5 14 Ba 0.25000000000000 0.88708779529425 0.75000000000000 137.327 > 5 15 Ba 0.50000000000000 0.88708779529425 0.75000000000000 137.327 > 5 16 Ba 0.75000000000000 0.88708779529425 0.75000000000000 137.327 > 5 17 Lu 0.00000000000000 0.36522995532956 0.43025121498778 174.967 > 17 18 Lu 0.25000000000000 0.36522995532956 0.43025121498778 174.967 > 17 19 Lu 0.50000000000000 0.36522995532956 0.43025121498778 174.967 > 17 20 Lu 0.75000000000000 0.36522995532956 0.43025121498778 174.967 > 17 21 Lu 0.00000000000000 0.36522995532956 0.06974878501222 174.967 > 21 22 Lu 0.25000000000000 0.36522995532956 0.06974878501222 174.967 > 21 23 Lu 0.50000000000000 0.36522995532956 0.06974878501222 174.967 > 21 24 Lu 0.75000000000000 0.36522995532956 0.06974878501222 174.967 > 21 25 Lu 0.12500000000000 0.13477004467044 0.56974878501222 174.967 > 25 26 Lu 0.37500000000000 0.13477004467044 0.56974878501222 174.967 > 25 27 Lu 0.62500000000000 0.13477004467044 0.56974878501222 174.967 > 25 28 Lu 0.87500000000000 0.13477004467044 0.56974878501222 174.967 > 25 29 Lu 0.12500000000000 0.13477004467044 0.93025121498778 174.967 > 29 30 Lu 0.37500000000000 0.13477004467044 0.93025121498778 174.967 > 29 31 Lu 0.62500000000000 0.13477004467044 0.93025121498778 174.967 > 29 32 Lu 0.87500000000000 0.13477004467044 0.93025121498778 174.967 > 29 33 Lu 0.12500000000000 0.86522995532956 0.43025121498778 174.967 > 17 34 Lu 0.37500000000000 0.86522995532956 0.43025121498778 174.967 > 17 35 Lu 0.62500000000000 0.86522995532956 0.43025121498778 174.967 > 17 36 Lu 0.87500000000000 0.86522995532956 0.43025121498778 174.967 > 17 37 Lu 0.12500000000000 0.86522995532956 0.06974878501222 174.967 > 21 38 Lu 0.37500000000000 0.86522995532956 0.06974878501222 174.967 > 21 39 Lu 0.62500000000000 0.86522995532956 0.06974878501222 174.967 > 21 40 Lu 0.87500000000000 0.86522995532956 0.06974878501222 174.967 > 21 41 Lu 0.00000000000000 0.63477004467044 0.56974878501222 174.967 > 25 42 Lu 0.25000000000000 0.63477004467044 0.56974878501222 174.967 > 25 43 Lu 0.50000000000000 0.63477004467044 0.56974878501222 174.967 > 25 44 Lu 0.75000000000000 0.63477004467044 0.56974878501222 174.967 > 25 45 Lu 0.00000000000000 0.63477004467044 0.93025121498778 174.967 > 29 46 Lu 0.25000000000000 0.63477004467044 0.93025121498778 174.967 > 29 47 Lu 0.50000000000000 0.63477004467044 0.93025121498778 174.967 > 29 48 Lu 0.75000000000000 0.63477004467044 0.93025121498778 174.967 > 29 49 O 0.00000000000000 0.00000000000000 0.00000000000000 15.999 > 49 50 O 0.25000000000000 0.00000000000000 0.00000000000000 15.999 > 49 51 O 0.50000000000000 0.00000000000000 0.00000000000000 15.999 > 49 52 O 0.75000000000000 0.00000000000000 0.00000000000000 15.999 > 49 53 O 0.00000000000000 0.00000000000000 0.50000000000000 15.999 > 53 54 O 0.25000000000000 0.00000000000000 0.50000000000000 15.999 > 53 55 O 0.50000000000000 0.00000000000000 0.50000000000000 15.999 > 53 56 O 0.75000000000000 0.00000000000000 0.50000000000000 15.999 > 53 57 O 0.00000000000000 0.43066092748835 0.25000000000000 15.999 > 57 58 O 0.25000000000000 0.43066092748835 0.25000000000000 15.999 > 57 59 O 0.50000000000000 0.43066092748835 0.25000000000000 15.999 > 57 60 O 0.75000000000000 0.43066092748835 0.25000000000000 15.999 > 57 61 O 0.00000000000000 0.25973964456058 0.59991768485258 15.999 > 61 62 O 0.25000000000000 0.25973964456058 0.59991768485258 15.999 > 61 63 O 0.50000000000000 0.25973964456058 0.59991768485258 15.999 > 61 64 O 0.75000000000000 0.25973964456058 0.59991768485258 15.999 > 61 65 O 0.00000000000000 0.25973964456058 0.90008231514742 15.999 > 65 66 O 0.25000000000000 0.25973964456058 0.90008231514742 15.999 > 65 67 O 0.50000000000000 0.25973964456058 0.90008231514742 15.999 > 65 68 O 0.75000000000000 0.25973964456058 0.90008231514742 15.999 > 65 69 O 0.12500000000000 0.06933907251165 0.75000000000000 15.999 > 69 70 O 0.37500000000000 0.06933907251165 0.75000000000000 15.999 > 69 71 O 0.62500000000000 0.06933907251165 0.75000000000000 15.999 > 69 72 O 0.87500000000000 0.06933907251165 0.75000000000000 15.999 > 69 73 O 0.12500000000000 0.24026035543942 0.40008231514742 15.999 > 73 74 O 0.37500000000000 0.24026035543942 0.40008231514742 15.999 > 73 75 O 0.62500000000000 0.24026035543942 0.40008231514742 15.999 > 73 76 O 0.87500000000000 0.24026035543942 0.40008231514742 15.999 > 73 77 O 0.12500000000000 0.24026035543942 0.09991768485258 15.999 > 77 78 O 0.37500000000000 0.24026035543942 0.09991768485258 15.999 > 77 79 O 0.62500000000000 0.24026035543942 0.09991768485258 15.999 > 77 80 O 0.87500000000000 0.24026035543942 0.09991768485258 15.999 > 77 81 O 0.12500000000000 0.50000000000000 0.00000000000000 15.999 > 49 82 O 0.37500000000000 0.50000000000000 0.00000000000000 15.999 > 49 83 O 0.62500000000000 0.50000000000000 0.00000000000000 15.999 > 49 84 O 0.87500000000000 0.50000000000000 0.00000000000000 15.999 > 49 85 O 0.12500000000000 0.50000000000000 0.50000000000000 15.999 > 53 86 O 0.37500000000000 0.50000000000000 0.50000000000000 15.999 > 53 87 O 0.62500000000000 0.50000000000000 0.50000000000000 15.999 > 53 88 O 0.87500000000000 0.50000000000000 0.50000000000000 15.999 > 53 89 O 0.12500000000000 0.93066092748835 0.25000000000000 15.999 > 57 90 O 0.37500000000000 0.93066092748835 0.25000000000000 15.999 > 57 91 O 0.62500000000000 0.93066092748835 0.25000000000000 15.999 > 57 92 O 0.87500000000000 0.93066092748835 0.25000000000000 15.999 > 57 93 O 0.12500000000000 0.75973964456058 0.59991768485258 15.999 > 61 94 O 0.37500000000000 0.75973964456058 0.59991768485258 15.999 > 61 95 O 0.62500000000000 0.75973964456058 0.59991768485258 15.999 > 61 96 O 0.87500000000000 0.75973964456058 0.59991768485258 15.999 > 61 97 O 0.12500000000000 0.75973964456058 0.90008231514742 15.999 > 65 98 O 0.37500000000000 0.75973964456058 0.90008231514742 15.999 > 65 99 O 0.62500000000000 0.75973964456058 0.90008231514742 15.999 > 65 100 O 0.87500000000000 0.75973964456058 0.90008231514742 15.999 > 65 101 O 0.00000000000000 0.56933907251165 0.75000000000000 15.999 > 69 102 O 0.25000000000000 0.56933907251165 0.75000000000000 15.999 > 69 103 O 0.50000000000000 0.56933907251165 0.75000000000000 15.999 > 69 104 O 0.75000000000000 0.56933907251165 0.75000000000000 15.999 > 69 105 O 0.00000000000000 0.74026035543942 0.40008231514742 15.999 > 73 106 O 0.25000000000000 0.74026035543942 0.40008231514742 15.999 > 73 107 O 0.50000000000000 0.74026035543942 0.40008231514742 15.999 > 73 108 O 0.75000000000000 0.74026035543942 0.40008231514742 15.999 > 73 109 O 0.00000000000000 0.74026035543942 0.09991768485258 15.999 > 77 110 O 0.25000000000000 0.74026035543942 0.09991768485258 15.999 > 77 111 O 0.50000000000000 0.74026035543942 0.09991768485258 15.999 > 77 112 O 0.75000000000000 0.74026035543942 0.09991768485258 15.999 > 77----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 4.4734240 0.0000000 0.0000000 0.0000000 4.3408974 0.0000000 0.0000000 0.0000000 4.1638422-------------------------- Born effective charges -------------------------- 1 Ba 2.7018515 0.0000000 0.0000000 0.0000000 2.9348375 0.0000000 0.0000000 0.0000000 2.4905501 2 Ba 2.7018515 0.0000000 0.0000000 0.0000000 2.9348375 0.0000000 0.0000000 0.0000000 2.4905501 3 Lu 3.9611885 0.0000000 0.0000000 0.0000000 3.5978587 -0.3819643 0.0000000 -0.3570128 3.6224775 4 Lu 3.9611885 0.0000000 0.0000000 0.0000000 3.5978587 0.3819643 0.0000000 0.3570128 3.6224775 5 Lu 3.9611885 0.0000000 0.0000000 0.0000000 3.5978587 -0.3819643 0.0000000 -0.3570128 3.6224775 6 Lu 3.9611885 0.0000000 0.0000000 0.0000000 3.5978587 0.3819643 0.0000000 0.3570128 3.6224775 7 O -2.9789987 0.0000000 0.0000000 0.0000000 -2.5816399 0.4238486 0.0000000 0.4027659 -1.9709631 8 O -2.9789987 0.0000000 0.0000000 0.0000000 -2.5816399 -0.4238486 0.0000000 -0.4027659 -1.9709631 9 O -1.9254214 0.0000000 0.0000000 0.0000000 -2.5455944 0.0000000 0.0000000 0.0000000 -3.2572569 10 O -2.8599042 0.0000000 0.0000000 0.0000000 -2.5016603 -0.1146637 0.0000000 -0.0174943 -2.2536426 11 O -2.8599042 0.0000000 0.0000000 0.0000000 -2.5016603 0.1146637 0.0000000 0.0174943 -2.2536426 12 O -1.9254214 0.0000000 0.0000000 0.0000000 -2.5455944 0.0000000 0.0000000 0.0000000 -3.2572569 13 O -2.8599042 0.0000000 0.0000000 0.0000000 -2.5016603 -0.1146637 0.0000000 -0.0174943 -2.2536426 14 O -2.8599042 0.0000000 0.0000000 0.0000000 -2.5016603 0.1146637 0.0000000 0.0174943 -2.2536426----------------------------------------------------------------------------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] [ 0.0000 0.0000 0.0100] [ 0.0000 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 49, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 57, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 61, 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Expanding fc3.Symmetrizing fc3 by traditional approach (N=3).Symmetrizing fc2 by traditional approach (N=3).Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy)fc3 was written into "fc3.hdf5".Max drift of fc2: -0.00000000 (zy) -0.00000000 (zy) 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 2026-01-09 03:52:01]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-09 03:52:01]-------------------------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): [4 1 1]Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.]Spacegroup: Cmcm (63)------------------------------ primitive cell ------------------------------Lattice vectors: a 1.665967515000000 -5.475272754999999 0.000000000000000 b 1.665967515000000 5.475272754999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.199611910000000Atomic positions (fractional): 1 Ba 0.88708779529425 0.11291220470575 0.25000000000000 137.327 2 Ba 0.11291220470575 0.88708779529425 0.75000000000000 137.327 3 Lu 0.63477004467044 0.36522995532956 0.43025121498778 174.967 4 Lu 0.63477004467044 0.36522995532956 0.06974878501222 174.967 5 Lu 0.36522995532956 0.63477004467044 0.56974878501222 174.967 6 Lu 0.36522995532956 0.63477004467044 0.93025121498778 174.967 7 O 0.00000000000000 0.00000000000000 0.00000000000000 15.999 8 O 0.00000000000000 0.00000000000000 0.50000000000000 15.999 9 O 0.56933907251165 0.43066092748835 0.25000000000000 15.999 10 O 0.74026035543942 0.25973964456058 0.59991768485258 15.999 11 O 0.74026035543942 0.25973964456058 0.90008231514742 15.999 12 O 0.43066092748835 0.56933907251165 0.75000000000000 15.999 13 O 0.25973964456058 0.74026035543942 0.40008231514742 15.999 14 O 0.25973964456058 0.74026035543942 0.09991768485258 15.999-------------------------------- supercell ---------------------------------Lattice vectors: a 13.327740120000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.950545509999998 0.000000000000000 c 0.000000000000000 0.000000000000000 11.199611910000000Atomic positions (fractional): 1 Ba 0.00000000000000 0.11291220470575 0.25000000000000 137.327 > 1 2 Ba 0.25000000000000 0.11291220470575 0.25000000000000 137.327 > 1 3 Ba 0.50000000000000 0.11291220470575 0.25000000000000 137.327 > 1 4 Ba 0.75000000000000 0.11291220470575 0.25000000000000 137.327 > 1 5 Ba 0.12500000000000 0.38708779529425 0.75000000000000 137.327 > 5 6 Ba 0.37500000000000 0.38708779529425 0.75000000000000 137.327 > 5 7 Ba 0.62500000000000 0.38708779529425 0.75000000000000 137.327 > 5 8 Ba 0.87500000000000 0.38708779529425 0.75000000000000 137.327 > 5 9 Ba 0.12500000000000 0.61291220470575 0.25000000000000 137.327 > 1 10 Ba 0.37500000000000 0.61291220470575 0.25000000000000 137.327 > 1 11 Ba 0.62500000000000 0.61291220470575 0.25000000000000 137.327 > 1 12 Ba 0.87500000000000 0.61291220470575 0.25000000000000 137.327 > 1 13 Ba 0.00000000000000 0.88708779529425 0.75000000000000 137.327 > 5 14 Ba 0.25000000000000 0.88708779529425 0.75000000000000 137.327 > 5 15 Ba 0.50000000000000 0.88708779529425 0.75000000000000 137.327 > 5 16 Ba 0.75000000000000 0.88708779529425 0.75000000000000 137.327 > 5 17 Lu 0.00000000000000 0.36522995532956 0.43025121498778 174.967 > 17 18 Lu 0.25000000000000 0.36522995532956 0.43025121498778 174.967 > 17 19 Lu 0.50000000000000 0.36522995532956 0.43025121498778 174.967 > 17 20 Lu 0.75000000000000 0.36522995532956 0.43025121498778 174.967 > 17 21 Lu 0.00000000000000 0.36522995532956 0.06974878501222 174.967 > 21 22 Lu 0.25000000000000 0.36522995532956 0.06974878501222 174.967 > 21 23 Lu 0.50000000000000 0.36522995532956 0.06974878501222 174.967 > 21 24 Lu 0.75000000000000 0.36522995532956 0.06974878501222 174.967 > 21 25 Lu 0.12500000000000 0.13477004467044 0.56974878501222 174.967 > 25 26 Lu 0.37500000000000 0.13477004467044 0.56974878501222 174.967 > 25 27 Lu 0.62500000000000 0.13477004467044 0.56974878501222 174.967 > 25 28 Lu 0.87500000000000 0.13477004467044 0.56974878501222 174.967 > 25 29 Lu 0.12500000000000 0.13477004467044 0.93025121498778 174.967 > 29 30 Lu 0.37500000000000 0.13477004467044 0.93025121498778 174.967 > 29 31 Lu 0.62500000000000 0.13477004467044 0.93025121498778 174.967 > 29 32 Lu 0.87500000000000 0.13477004467044 0.93025121498778 174.967 > 29 33 Lu 0.12500000000000 0.86522995532956 0.43025121498778 174.967 > 17 34 Lu 0.37500000000000 0.86522995532956 0.43025121498778 174.967 > 17 35 Lu 0.62500000000000 0.86522995532956 0.43025121498778 174.967 > 17 36 Lu 0.87500000000000 0.86522995532956 0.43025121498778 174.967 > 17 37 Lu 0.12500000000000 0.86522995532956 0.06974878501222 174.967 > 21 38 Lu 0.37500000000000 0.86522995532956 0.06974878501222 174.967 > 21 39 Lu 0.62500000000000 0.86522995532956 0.06974878501222 174.967 > 21 40 Lu 0.87500000000000 0.86522995532956 0.06974878501222 174.967 > 21 41 Lu 0.00000000000000 0.63477004467044 0.56974878501222 174.967 > 25 42 Lu 0.25000000000000 0.63477004467044 0.56974878501222 174.967 > 25 43 Lu 0.50000000000000 0.63477004467044 0.56974878501222 174.967 > 25 44 Lu 0.75000000000000 0.63477004467044 0.56974878501222 174.967 > 25 45 Lu 0.00000000000000 0.63477004467044 0.93025121498778 174.967 > 29 46 Lu 0.25000000000000 0.63477004467044 0.93025121498778 174.967 > 29 47 Lu 0.50000000000000 0.63477004467044 0.93025121498778 174.967 > 29 48 Lu 0.75000000000000 0.63477004467044 0.93025121498778 174.967 > 29 49 O 0.00000000000000 0.00000000000000 0.00000000000000 15.999 > 49 50 O 0.25000000000000 0.00000000000000 0.00000000000000 15.999 > 49 51 O 0.50000000000000 0.00000000000000 0.00000000000000 15.999 > 49 52 O 0.75000000000000 0.00000000000000 0.00000000000000 15.999 > 49 53 O 0.00000000000000 0.00000000000000 0.50000000000000 15.999 > 53 54 O 0.25000000000000 0.00000000000000 0.50000000000000 15.999 > 53 55 O 0.50000000000000 0.00000000000000 0.50000000000000 15.999 > 53 56 O 0.75000000000000 0.00000000000000 0.50000000000000 15.999 > 53 57 O 0.00000000000000 0.43066092748835 0.25000000000000 15.999 > 57 58 O 0.25000000000000 0.43066092748835 0.25000000000000 15.999 > 57 59 O 0.50000000000000 0.43066092748835 0.25000000000000 15.999 > 57 60 O 0.75000000000000 0.43066092748835 0.25000000000000 15.999 > 57 61 O 0.00000000000000 0.25973964456058 0.59991768485258 15.999 > 61 62 O 0.25000000000000 0.25973964456058 0.59991768485258 15.999 > 61 63 O 0.50000000000000 0.25973964456058 0.59991768485258 15.999 > 61 64 O 0.75000000000000 0.25973964456058 0.59991768485258 15.999 > 61 65 O 0.00000000000000 0.25973964456058 0.90008231514742 15.999 > 65 66 O 0.25000000000000 0.25973964456058 0.90008231514742 15.999 > 65 67 O 0.50000000000000 0.25973964456058 0.90008231514742 15.999 > 65 68 O 0.75000000000000 0.25973964456058 0.90008231514742 15.999 > 65 69 O 0.12500000000000 0.06933907251165 0.75000000000000 15.999 > 69 70 O 0.37500000000000 0.06933907251165 0.75000000000000 15.999 > 69 71 O 0.62500000000000 0.06933907251165 0.75000000000000 15.999 > 69 72 O 0.87500000000000 0.06933907251165 0.75000000000000 15.999 > 69 73 O 0.12500000000000 0.24026035543942 0.40008231514742 15.999 > 73 74 O 0.37500000000000 0.24026035543942 0.40008231514742 15.999 > 73 75 O 0.62500000000000 0.24026035543942 0.40008231514742 15.999 > 73 76 O 0.87500000000000 0.24026035543942 0.40008231514742 15.999 > 73 77 O 0.12500000000000 0.24026035543942 0.09991768485258 15.999 > 77 78 O 0.37500000000000 0.24026035543942 0.09991768485258 15.999 > 77 79 O 0.62500000000000 0.24026035543942 0.09991768485258 15.999 > 77 80 O 0.87500000000000 0.24026035543942 0.09991768485258 15.999 > 77 81 O 0.12500000000000 0.50000000000000 0.00000000000000 15.999 > 49 82 O 0.37500000000000 0.50000000000000 0.00000000000000 15.999 > 49 83 O 0.62500000000000 0.50000000000000 0.00000000000000 15.999 > 49 84 O 0.87500000000000 0.50000000000000 0.00000000000000 15.999 > 49 85 O 0.12500000000000 0.50000000000000 0.50000000000000 15.999 > 53 86 O 0.37500000000000 0.50000000000000 0.50000000000000 15.999 > 53 87 O 0.62500000000000 0.50000000000000 0.50000000000000 15.999 > 53 88 O 0.87500000000000 0.50000000000000 0.50000000000000 15.999 > 53 89 O 0.12500000000000 0.93066092748835 0.25000000000000 15.999 > 57 90 O 0.37500000000000 0.93066092748835 0.25000000000000 15.999 > 57 91 O 0.62500000000000 0.93066092748835 0.25000000000000 15.999 > 57 92 O 0.87500000000000 0.93066092748835 0.25000000000000 15.999 > 57 93 O 0.12500000000000 0.75973964456058 0.59991768485258 15.999 > 61 94 O 0.37500000000000 0.75973964456058 0.59991768485258 15.999 > 61 95 O 0.62500000000000 0.75973964456058 0.59991768485258 15.999 > 61 96 O 0.87500000000000 0.75973964456058 0.59991768485258 15.999 > 61 97 O 0.12500000000000 0.75973964456058 0.90008231514742 15.999 > 65 98 O 0.37500000000000 0.75973964456058 0.90008231514742 15.999 > 65 99 O 0.62500000000000 0.75973964456058 0.90008231514742 15.999 > 65 100 O 0.87500000000000 0.75973964456058 0.90008231514742 15.999 > 65 101 O 0.00000000000000 0.56933907251165 0.75000000000000 15.999 > 69 102 O 0.25000000000000 0.56933907251165 0.75000000000000 15.999 > 69 103 O 0.50000000000000 0.56933907251165 0.75000000000000 15.999 > 69 104 O 0.75000000000000 0.56933907251165 0.75000000000000 15.999 > 69 105 O 0.00000000000000 0.74026035543942 0.40008231514742 15.999 > 73 106 O 0.25000000000000 0.74026035543942 0.40008231514742 15.999 > 73 107 O 0.50000000000000 0.74026035543942 0.40008231514742 15.999 > 73 108 O 0.75000000000000 0.74026035543942 0.40008231514742 15.999 > 73 109 O 0.00000000000000 0.74026035543942 0.09991768485258 15.999 > 77 110 O 0.25000000000000 0.74026035543942 0.09991768485258 15.999 > 77 111 O 0.50000000000000 0.74026035543942 0.09991768485258 15.999 > 77 112 O 0.75000000000000 0.74026035543942 0.09991768485258 15.999 > 77----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 4.4734240 0.0000000 0.0000000 0.0000000 4.3408974 0.0000000 0.0000000 0.0000000 4.1638422-------------------------- Born effective charges -------------------------- 1 Ba 2.7018515 0.0000000 0.0000000 0.0000000 2.9348375 0.0000000 0.0000000 0.0000000 2.4905501 2 Ba 2.7018515 0.0000000 0.0000000 0.0000000 2.9348375 0.0000000 0.0000000 0.0000000 2.4905501 3 Lu 3.9611885 0.0000000 0.0000000 0.0000000 3.5978587 -0.3819643 0.0000000 -0.3570128 3.6224775 4 Lu 3.9611885 0.0000000 0.0000000 0.0000000 3.5978587 0.3819643 0.0000000 0.3570128 3.6224775 5 Lu 3.9611885 0.0000000 0.0000000 0.0000000 3.5978587 -0.3819643 0.0000000 -0.3570128 3.6224775 6 Lu 3.9611885 0.0000000 0.0000000 0.0000000 3.5978587 0.3819643 0.0000000 0.3570128 3.6224775 7 O -2.9789987 0.0000000 0.0000000 0.0000000 -2.5816399 0.4238486 0.0000000 0.4027659 -1.9709631 8 O -2.9789987 0.0000000 0.0000000 0.0000000 -2.5816399 -0.4238486 0.0000000 -0.4027659 -1.9709631 9 O -1.9254214 0.0000000 0.0000000 0.0000000 -2.5455944 0.0000000 0.0000000 0.0000000 -3.2572569 10 O -2.8599042 0.0000000 0.0000000 0.0000000 -2.5016603 -0.1146637 0.0000000 -0.0174943 -2.2536426 11 O -2.8599042 0.0000000 0.0000000 0.0000000 -2.5016603 0.1146637 0.0000000 0.0174943 -2.2536426 12 O -1.9254214 0.0000000 0.0000000 0.0000000 -2.5455944 0.0000000 0.0000000 0.0000000 -3.2572569 13 O -2.8599042 0.0000000 0.0000000 0.0000000 -2.5016603 -0.1146637 0.0000000 -0.0174943 -2.2536426 14 O -2.8599042 0.0000000 0.0000000 0.0000000 -2.5016603 0.1146637 0.0000000 0.0174943 -2.2536426----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy)Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- 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 ... [ 16 16 4 ]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: 0.71, Number of G-points: 287, Lambda: 0.15Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/219) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 219Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.451 ( 0.000 0.000 0.000) 0.000 2.143 ( 0.000 0.000 0.000) 0.000 2.212 ( 0.000 0.000 0.000) 0.000 2.428 ( 0.000 0.000 0.000) 0.000 2.534 ( 0.000 0.000 0.000) 0.000 2.577 ( 0.000 0.000 0.000) 0.000 3.007 ( 0.000 0.000 0.000) 0.000 3.701 ( 0.000 0.000 0.000) 0.000 3.732 ( 0.000 0.000 0.000) 0.000 3.994 ( 0.000 0.000 0.000) 0.000 4.171 ( 0.000 0.000 0.000) 0.000 4.458 ( 0.000 0.000 0.000) 0.000 4.874 ( 0.000 0.000 0.000) 0.000 5.677 ( 0.000 0.000 0.000) 0.000 6.107 ( 0.000 0.000 0.000) 0.000 6.259 ( 0.000 0.000 0.000) 0.000 6.306 ( 0.000 0.000 0.000) 0.000 7.580 ( 0.000 0.000 0.000) 0.000 7.687 ( 0.000 0.000 0.000) 0.000 7.763 ( 0.000 0.000 0.000) 0.000 7.874 ( 0.000 0.000 0.000) 0.000 8.278 ( 0.000 0.000 0.000) 0.000 9.099 ( 0.000 0.000 0.000) 0.000 9.889 ( 0.000 0.000 0.000) 0.000 9.970 ( 0.000 0.000 0.000) 0.000 10.934 ( 0.000 0.000 0.000) 0.000 11.310 ( 0.000 0.000 0.000) 0.000 11.363 ( 0.000 0.000 0.000) 0.000 11.502 ( 0.000 0.000 0.000) 0.000 12.370 ( 0.000 0.000 0.000) 0.000 12.658 ( 0.000 0.000 0.000) 0.000 12.690 ( 0.000 0.000 0.000) 0.000 12.811 ( 0.000 0.000 0.000) 0.000 12.868 ( 0.000 0.000 0.000) 0.000 14.343 ( 0.000 0.000 0.000) 0.000 14.481 ( 0.000 0.000 0.000) 0.000 15.970 ( 0.000 0.000 0.000) 0.000 17.115 ( 0.000 0.000 0.000) 0.000 17.970 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/219) =======================q-point: ( 0.06 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.494 ( 22.536 -11.826 0.000) 25.450 0.513 ( 22.861 -17.372 0.000) 28.712 1.068 ( 53.708 -6.357 0.000) 54.083 1.705 ( 24.082 0.251 0.000) 24.084 2.153 ( 2.333 -1.419 0.000) 2.731 2.349 ( 13.109 -0.252 0.000) 13.111 2.597 ( 15.590 -0.134 0.000) 15.590 2.680 ( 12.719 3.162 0.000) 13.106 2.720 ( 13.207 -2.859 0.000) 13.513 2.984 ( 1.699 10.062 0.000) 10.204 3.684 ( -1.197 1.539 0.000) 1.950 3.823 ( 6.439 -9.434 0.000) 11.422 3.922 ( -2.755 9.186 0.000) 9.590 4.179 ( -2.207 -8.204 0.000) 8.496 4.401 ( -3.316 9.216 0.000) 9.794 4.868 ( -2.961 -7.020 0.000) 7.619 5.636 ( -3.878 1.119 0.000) 4.037 6.204 ( -4.688 3.337 0.000) 5.754 6.819 ( 48.267 0.520 0.000) 48.270 7.577 ( 0.026 0.727 0.000) 0.727 7.745 ( 3.856 -8.047 0.000) 8.923 7.804 ( 21.640 40.950 0.000) 46.316 7.894 ( 12.987 1.833 0.000) 13.116 8.254 ( 7.341 12.549 0.000) 14.538 9.070 ( -2.438 0.773 0.000) 2.557 9.880 ( -0.122 2.800 0.000) 2.803 9.969 ( 0.452 1.037 0.000) 1.132 10.202 ( -15.027 -36.439 0.000) 39.416 10.907 ( -1.384 5.488 0.000) 5.660 11.265 ( -3.802 1.619 0.000) 4.132 11.484 ( -1.572 1.183 0.000) 1.968 12.341 ( -4.391 -3.677 0.000) 5.727 12.474 ( -20.371 -0.707 0.000) 20.383 12.704 ( 3.387 -0.542 0.000) 3.430 12.790 ( -0.956 0.644 0.000) 1.153 12.891 ( 1.589 -2.183 0.000) 2.700 14.367 ( 2.413 3.468 0.000) 4.224 14.376 ( -10.360 -0.728 0.000) 10.386 15.887 ( 5.986 15.789 0.000) 16.886 16.252 ( -3.395 -8.868 0.000) 9.496 17.076 ( -4.291 -0.707 0.000) 4.349 17.920 ( -4.687 1.297 0.000) 4.863======================= Grid point 2 (3/219) =======================q-point: ( 0.12 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 390Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.976 ( 21.922 -10.529 0.000) 24.320 1.048 ( 24.014 -14.293 0.000) 27.945 2.051 ( 46.162 -3.295 0.000) 46.279 2.180 ( 19.535 4.263 0.000) 19.995 2.306 ( 16.792 -5.656 0.000) 17.719 2.632 ( 15.791 1.213 0.000) 15.837 2.922 ( 9.299 8.821 0.000) 12.817 2.946 ( 20.479 0.889 0.000) 20.498 2.983 ( 17.120 0.113 0.000) 17.120 3.135 ( 20.959 -1.320 0.000) 21.001 3.636 ( -2.522 3.843 0.000) 4.597 3.852 ( 2.193 9.252 0.000) 9.508 4.064 ( 12.603 -9.601 0.000) 15.843 4.182 ( -2.839 -10.826 0.000) 11.192 4.255 ( -4.132 13.284 0.000) 13.912 4.840 ( -5.001 -9.180 0.000) 10.454 5.524 ( -6.995 2.052 0.000) 7.289 6.052 ( -8.613 5.449 0.000) 10.192 7.569 ( -0.817 -0.149 0.000) 0.830 7.676 ( 27.589 11.912 0.000) 30.051 8.023 ( 18.665 15.820 0.000) 24.467 8.053 ( 33.020 -16.893 0.000) 37.090 8.231 ( 22.214 -0.465 0.000) 22.219 8.351 ( 9.095 7.601 0.000) 11.853 9.029 ( -0.692 -1.122 0.000) 1.318 9.847 ( -1.311 4.219 0.000) 4.418 9.985 ( 2.461 2.193 0.000) 3.296 10.126 ( -6.066 -9.205 0.000) 11.024 10.816 ( -3.633 9.968 0.000) 10.610 11.158 ( -6.547 2.575 0.000) 7.035 11.453 ( 0.139 0.541 0.000) 0.558 12.057 ( -21.573 -0.899 0.000) 21.592 12.241 ( -9.949 -6.689 0.000) 11.988 12.663 ( -6.528 1.119 0.000) 6.623 12.869 ( 7.311 0.688 0.000) 7.343 12.954 ( 3.731 -3.982 0.000) 5.457 14.104 ( -17.996 -1.522 0.000) 18.060 14.333 ( -6.911 -0.783 0.000) 6.955 15.862 ( -3.886 1.047 0.000) 4.024 16.262 ( 2.987 4.165 0.000) 5.125 16.968 ( -7.696 -1.445 0.000) 7.830 17.794 ( -7.256 2.175 0.000) 7.575======================= Grid point 3 (4/219) =======================q-point: ( 0.19 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.430 ( 20.162 -8.976 0.000) 22.070 1.551 ( 21.247 -11.203 0.000) 24.019 2.397 ( 10.937 3.346 0.000) 11.437 2.585 ( 11.127 11.892 0.000) 16.286 2.731 ( 17.962 -5.503 0.000) 18.786 3.068 ( 23.868 -12.064 0.000) 26.744 3.112 ( 20.958 9.146 0.000) 22.867 3.292 ( 17.049 6.654 0.000) 18.301 3.348 ( 21.655 -0.833 0.000) 21.671 3.550 ( -3.260 5.542 0.000) 6.429 3.575 ( 21.713 -2.326 0.000) 21.838 3.926 ( 9.133 4.100 0.000) 10.011 4.082 ( -1.306 12.986 0.000) 13.052 4.234 ( 3.450 -12.234 0.000) 12.711 4.446 ( 19.164 -8.797 0.000) 21.086 4.786 ( -5.775 -7.681 0.000) 9.609 5.360 ( -8.577 2.646 0.000) 8.976 5.831 ( -11.144 5.871 0.000) 12.596 7.544 ( -2.308 -1.207 0.000) 2.605 7.861 ( 4.232 1.405 0.000) 4.459 8.307 ( 17.136 4.529 0.000) 17.724 8.496 ( 12.173 9.485 0.000) 15.432 8.696 ( 25.097 -1.037 0.000) 25.118 8.775 ( 27.043 7.970 0.000) 28.193 9.153 ( 14.252 -10.206 0.000) 17.529 9.798 ( -1.033 3.425 0.000) 3.577 10.043 ( 5.632 3.607 0.000) 6.688 10.090 ( -0.841 0.208 0.000) 0.867 10.670 ( -4.508 11.518 0.000) 12.369 10.980 ( -10.465 2.749 0.000) 10.821 11.524 ( 7.102 -1.651 0.000) 7.291 11.731 ( -12.829 1.188 0.000) 12.884 12.042 ( -15.866 -9.502 0.000) 18.494 12.487 ( -10.615 3.580 0.000) 11.202 12.974 ( 4.808 0.713 0.000) 4.860 13.093 ( 7.523 -4.175 0.000) 8.604 13.739 ( -21.057 -0.392 0.000) 21.061 14.105 ( -18.773 -4.414 0.000) 19.285 15.755 ( -5.756 1.761 0.000) 6.019 16.289 ( 2.331 6.355 0.000) 6.769 16.815 ( -9.379 -2.490 0.000) 9.704 17.636 ( -7.839 2.742 0.000) 8.305======================= Grid point 4 (5/219) =======================q-point: ( 0.25 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 390Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.822 ( 16.407 -7.154 0.000) 17.899 1.952 ( 15.052 -8.157 0.000) 17.120 2.575 ( 10.251 4.361 0.000) 11.140 2.645 ( 5.546 11.192 0.000) 12.491 2.983 ( 5.723 -7.133 0.000) 9.145 3.268 ( 4.928 2.334 0.000) 5.453 3.443 ( -0.009 7.985 0.000) 7.985 3.505 ( 11.843 1.053 0.000) 11.890 3.509 ( 6.999 8.507 0.000) 11.016 3.846 ( 9.959 8.053 0.000) 12.807 3.906 ( 32.978 -2.475 0.000) 33.071 4.077 ( 7.272 -1.907 0.000) 7.518 4.188 ( 14.822 -5.911 0.000) 15.957 4.499 ( 15.125 -10.867 0.000) 18.624 4.710 ( -4.459 -4.580 0.000) 6.392 4.888 ( 21.043 -5.795 0.000) 21.826 5.203 ( -4.729 3.137 0.000) 5.675 5.590 ( -10.437 4.232 0.000) 11.262 7.501 ( -3.402 -2.926 0.000) 4.488 7.884 ( -0.778 -0.201 0.000) 0.803 8.575 ( 11.053 -3.404 0.000) 11.565 8.719 ( 19.547 14.636 0.000) 24.419 9.047 ( 13.868 9.806 0.000) 16.985 9.134 ( 19.192 -1.223 0.000) 19.231 9.527 ( 14.796 -4.454 0.000) 15.452 9.770 ( -0.616 3.350 0.000) 3.407 10.086 ( 2.282 4.944 0.000) 5.445 10.155 ( 9.005 5.354 0.000) 10.477 10.561 ( 0.687 10.229 0.000) 10.252 10.771 ( -9.292 0.878 0.000) 9.333 11.539 ( -6.871 4.675 0.000) 8.310 11.688 ( 6.715 -3.296 0.000) 7.481 11.785 ( -17.174 -13.658 0.000) 21.943 12.231 ( -13.539 5.771 0.000) 14.718 13.071 ( 6.422 1.028 0.000) 6.504 13.237 ( 4.937 -2.671 0.000) 5.613 13.320 ( -23.050 3.393 0.000) 23.299 13.711 ( -25.394 -7.022 0.000) 26.347 15.647 ( -4.628 1.552 0.000) 4.882 16.268 ( 0.070 7.978 0.000) 7.978 16.657 ( -9.148 -3.756 0.000) 9.889 17.474 ( -7.628 3.090 0.000) 8.230======================= Grid point 5 (6/219) =======================q-point: ( 0.31 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.116 ( 11.087 -5.316 0.000) 12.296 2.196 ( 7.256 -4.372 0.000) 8.472 2.697 ( 5.089 6.785 0.000) 8.481 2.722 ( 7.512 4.052 0.000) 8.535 3.078 ( 2.320 -3.709 0.000) 4.375 3.251 ( 0.165 11.374 0.000) 11.375 3.385 ( -0.885 5.045 0.000) 5.122 3.553 ( 1.263 4.188 0.000) 4.375 3.670 ( 5.806 -6.344 0.000) 8.599 3.983 ( 8.748 9.840 0.000) 13.166 4.218 ( 6.302 2.059 0.000) 6.630 4.409 ( 9.982 -5.950 0.000) 11.620 4.529 ( 19.610 -7.147 0.000) 20.872 4.705 ( 5.804 -0.208 0.000) 5.808 4.740 ( 1.828 -10.296 0.000) 10.457 5.191 ( 2.723 0.829 0.000) 2.846 5.267 ( 14.627 1.447 0.000) 14.699 5.521 ( 10.082 -3.746 0.000) 10.755 7.454 ( -3.947 -4.918 0.000) 6.306 7.853 ( -2.498 -0.892 0.000) 2.653 8.778 ( 9.725 0.892 0.000) 9.766 9.032 ( 20.857 11.685 0.000) 23.907 9.225 ( 10.565 12.578 0.000) 16.426 9.367 ( 4.040 -1.548 0.000) 4.326 9.721 ( -0.250 8.198 0.000) 8.202 9.731 ( 7.006 -2.205 0.000) 7.345 10.124 ( 3.522 2.909 0.000) 4.568 10.317 ( 11.623 6.568 0.000) 13.351 10.615 ( 10.884 7.804 0.000) 13.393 10.676 ( -0.378 -2.029 0.000) 2.064 11.408 ( -3.759 3.773 0.000) 5.326 11.592 ( -12.255 -14.724 0.000) 19.157 11.737 ( -5.409 -2.316 0.000) 5.884 11.939 ( -12.506 5.293 0.000) 13.580 12.825 ( -26.468 6.339 0.000) 27.216 13.202 ( 7.855 1.336 0.000) 7.968 13.278 ( -24.345 -6.850 0.000) 25.290 13.295 ( 0.292 -0.267 0.000) 0.396 15.556 ( -4.629 1.140 0.000) 4.768 16.219 ( 0.112 7.652 0.000) 7.653 16.521 ( -7.716 -4.393 0.000) 8.879 17.319 ( -6.877 2.830 0.000) 7.436======================= Grid point 6 (7/219) =======================q-point: ( 0.38 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 390Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.298 ( 2.504 -2.039 0.000) 3.229 2.306 ( 6.585 -4.024 0.000) 7.717 2.712 ( -0.121 7.041 0.000) 7.042 2.797 ( 2.343 2.118 0.000) 3.159 3.127 ( 2.236 2.600 0.000) 3.429 3.250 ( 5.970 4.923 0.000) 7.738 3.363 ( 1.008 3.983 0.000) 4.109 3.552 ( 0.492 -2.966 0.000) 3.007 3.797 ( 3.668 -5.807 0.000) 6.868 4.007 ( 0.237 12.001 0.000) 12.003 4.229 ( -3.258 3.816 0.000) 5.018 4.447 ( -3.745 -7.344 0.000) 8.243 4.813 ( 3.128 -6.298 0.000) 7.032 4.900 ( 8.894 -7.959 0.000) 11.936 4.910 ( 16.499 1.802 0.000) 16.598 5.130 ( -2.220 4.421 0.000) 4.948 5.601 ( 17.471 -1.398 0.000) 17.527 5.855 ( 16.788 -5.757 0.000) 17.748 7.409 ( -3.959 -5.650 0.000) 6.900 7.810 ( -2.539 -1.054 0.000) 2.749 8.860 ( 0.444 11.321 0.000) 11.330 9.257 ( 1.367 13.548 0.000) 13.617 9.319 ( 8.999 -0.978 0.000) 9.052 9.430 ( 12.327 5.984 0.000) 13.702 9.698 ( 1.148 2.509 0.000) 2.759 9.914 ( 11.960 -3.804 0.000) 12.550 10.175 ( 3.461 1.577 0.000) 3.803 10.504 ( 11.693 6.054 0.000) 13.167 10.769 ( 8.079 -1.965 0.000) 8.314 10.826 ( 13.678 8.610 0.000) 16.162 11.395 ( 4.549 -0.195 0.000) 4.553 11.456 ( -12.170 -13.730 0.000) 18.347 11.485 ( -17.593 3.269 0.000) 17.894 11.740 ( -9.948 -0.524 0.000) 9.961 12.299 ( -23.940 6.292 0.000) 24.753 12.876 ( -21.992 -3.512 0.000) 22.271 13.256 ( -2.950 1.917 0.000) 3.518 13.335 ( 6.026 0.829 0.000) 6.082 15.451 ( -5.395 2.305 0.000) 5.867 16.203 ( 1.833 4.352 0.000) 4.723 16.417 ( -5.821 -3.622 0.000) 6.856 17.192 ( -5.131 1.743 0.000) 5.419======================= Grid point 7 (8/219) =======================q-point: ( 0.44 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.338 ( 0.987 -1.630 0.000) 1.906 2.418 ( 3.447 -2.749 0.000) 4.409 2.641 ( -2.088 6.235 0.000) 6.575 2.800 ( -0.362 1.270 0.000) 1.321 3.133 ( 0.711 3.408 0.000) 3.482 3.355 ( -0.149 1.929 0.000) 1.935 3.400 ( 9.550 -3.034 0.000) 10.021 3.626 ( 4.470 -3.678 0.000) 5.789 3.814 ( -4.886 6.740 0.000) 8.325 3.931 ( 0.042 1.445 0.000) 1.446 4.106 ( -6.481 2.296 0.000) 6.876 4.419 ( -2.531 -4.342 0.000) 5.026 4.911 ( 3.591 -2.514 0.000) 4.384 5.050 ( -0.837 -5.978 0.000) 6.036 5.079 ( 5.042 -1.419 0.000) 5.238 5.155 ( 8.047 6.362 0.000) 10.258 5.875 ( 10.053 -1.310 0.000) 10.138 6.141 ( 10.043 -3.449 0.000) 10.619 7.372 ( -2.809 -3.841 0.000) 4.759 7.775 ( -1.601 -0.649 0.000) 1.727 8.723 ( -5.237 9.034 0.000) 10.442 9.182 ( -1.459 7.642 0.000) 7.780 9.433 ( 3.714 -2.226 0.000) 4.330 9.653 ( 7.380 4.483 0.000) 8.635 9.778 ( 9.973 0.588 0.000) 9.990 10.209 ( 16.234 -3.242 0.000) 16.554 10.246 ( 5.178 0.637 0.000) 5.217 10.658 ( 6.557 3.480 0.000) 7.423 10.944 ( 3.700 7.411 0.000) 8.283 10.961 ( 10.814 1.885 0.000) 10.977 11.130 ( -16.571 1.404 0.000) 16.631 11.254 ( -15.928 -9.227 0.000) 18.407 11.529 ( -12.693 -1.270 0.000) 12.756 11.599 ( 14.754 -2.917 0.000) 15.040 11.934 ( -10.668 3.706 0.000) 11.293 12.490 ( -19.889 -0.303 0.000) 19.891 13.181 ( -3.092 1.795 0.000) 3.575 13.417 ( 3.036 0.496 0.000) 3.076 15.345 ( -3.866 2.257 0.000) 4.476 16.226 ( 1.899 1.346 0.000) 2.328 16.346 ( -3.301 -1.867 0.000) 3.792 17.112 ( -2.624 0.576 0.000) 2.687======================= Grid point 8 (9/219) =======================q-point: (-0.50 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 198Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.353 ( 0.000 -0.000 0.000) 0.000 2.461 ( 0.000 -0.000 0.000) 0.000 2.598 ( 0.000 -0.000 0.000) 0.000 2.789 ( 0.000 0.000 0.000) 0.000 3.128 ( 0.000 -0.000 0.000) 0.000 3.346 ( -0.000 -0.000 0.000) 0.000 3.596 ( -0.000 0.000 0.000) 0.000 3.636 ( 0.000 -0.000 0.000) 0.000 3.697 ( 0.000 0.000 0.000) 0.000 3.942 ( 0.000 -0.000 0.000) 0.000 4.021 ( 0.000 -0.000 0.000) 0.000 4.407 ( 0.000 0.000 0.000) 0.000 4.954 ( 0.000 -0.000 0.000) 0.000 5.047 ( 0.000 0.000 0.000) 0.000 5.140 ( -0.000 -0.000 0.000) 0.000 5.217 ( 0.000 0.000 0.000) 0.000 5.975 ( 0.000 -0.000 0.000) 0.000 6.248 ( 0.000 -0.000 0.000) 0.000 7.355 ( 0.000 -0.000 0.000) 0.000 7.761 ( 0.000 -0.000 0.000) 0.000 8.641 ( 0.000 -0.000 0.000) 0.000 9.144 ( 0.000 -0.000 0.000) 0.000 9.473 ( 0.000 -0.000 0.000) 0.000 9.699 ( 0.000 -0.000 0.000) 0.000 9.897 ( 0.000 -0.000 0.000) 0.000 10.325 ( 0.000 -0.000 0.000) 0.000 10.454 ( 0.000 -0.000 0.000) 0.000 10.669 ( 0.000 -0.000 0.000) 0.000 10.905 ( 0.000 -0.000 0.000) 0.000 10.932 ( 0.000 -0.000 0.000) 0.000 11.095 ( 0.000 -0.000 0.000) 0.000 11.144 ( 0.000 -0.000 0.000) 0.000 11.352 ( -0.000 -0.000 0.000) 0.000 11.825 ( -0.000 -0.000 0.000) 0.000 11.837 ( 0.000 -0.000 0.000) 0.000 12.229 ( 0.000 -0.000 0.000) 0.000 13.143 ( 0.000 -0.000 0.000) 0.000 13.443 ( 0.000 -0.000 0.000) 0.000 15.300 ( 0.000 -0.000 0.000) 0.000 16.242 ( 0.000 -0.000 0.000) 0.000 16.320 ( 0.000 -0.000 0.000) 0.000 17.086 ( 0.000 -0.000 0.000) 0.000======================= Grid point 18 (10/219) =======================q-point: ( 0.06 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.914 ( 23.903 0.000 0.000) 23.903 0.961 ( 27.109 0.000 0.000) 27.109 2.032 ( 48.669 0.000 0.000) 48.669 2.227 ( 28.224 0.000 0.000) 28.224 2.250 ( 8.250 0.000 0.000) 8.250 2.639 ( 16.170 0.000 0.000) 16.170 2.952 ( 21.197 0.000 0.000) 21.197 2.970 ( 7.581 0.000 0.000) 7.581 2.988 ( 18.480 0.000 0.000) 18.480 3.131 ( 17.464 0.000 0.000) 17.464 3.656 ( -2.337 -0.000 0.000) 2.337 3.925 ( 1.596 0.000 0.000) 1.596 4.001 ( 15.196 0.000 0.000) 15.196 4.100 ( -3.436 -0.000 0.000) 3.436 4.344 ( -5.607 -0.000 0.000) 5.607 4.776 ( -4.300 -0.000 0.000) 4.300 5.536 ( -7.056 -0.000 0.000) 7.056 6.084 ( -8.994 -0.000 0.000) 8.994 7.568 ( -1.063 -0.000 0.000) 1.063 7.804 ( 4.748 0.000 0.000) 4.748 7.895 ( 58.978 0.000 0.000) 58.978 8.108 ( 10.934 0.000 0.000) 10.934 8.229 ( 22.442 0.000 0.000) 22.442 8.421 ( 8.037 0.000 0.000) 8.037 9.024 ( -1.806 -0.000 0.000) 1.806 9.863 ( -2.069 -0.000 0.000) 2.069 9.998 ( 2.564 0.000 0.000) 2.564 10.067 ( 0.128 0.000 0.000) 0.128 10.876 ( -4.029 -0.000 0.000) 4.029 11.173 ( -6.667 -0.000 0.000) 6.667 11.456 ( -0.501 -0.000 0.000) 0.501 12.053 ( -21.240 -0.000 0.000) 21.240 12.200 ( -9.864 -0.000 0.000) 9.864 12.669 ( -5.952 -0.000 0.000) 5.952 12.877 ( 8.354 0.000 0.000) 8.354 12.926 ( 2.776 0.000 0.000) 2.776 14.095 ( -17.805 -0.000 0.000) 17.805 14.329 ( -8.131 -0.000 0.000) 8.131 15.868 ( -4.681 -0.000 0.000) 4.681 16.288 ( 3.699 0.000 0.000) 3.699 16.959 ( -7.748 -0.000 0.000) 7.748 17.807 ( -7.366 -0.000 0.000) 7.366======================= Grid point 19 (11/219) =======================q-point: ( 0.12 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.359 ( 22.000 -3.236 0.000) 22.237 1.462 ( 23.916 -4.132 0.000) 24.271 2.432 ( 11.348 2.136 0.000) 11.547 2.678 ( 17.170 -2.983 0.000) 17.427 2.706 ( 16.002 8.017 0.000) 17.898 2.943 ( 15.177 -8.256 0.000) 17.278 3.189 ( 26.464 3.393 0.000) 26.680 3.348 ( 20.340 2.698 0.000) 20.518 3.351 ( 20.130 0.922 0.000) 20.151 3.547 ( 22.488 -1.846 0.000) 22.564 3.593 ( -3.739 1.877 0.000) 4.183 3.993 ( 4.814 7.604 0.000) 9.000 4.101 ( 4.974 -10.695 0.000) 11.795 4.199 ( -5.763 6.217 0.000) 8.477 4.373 ( 21.203 -3.497 0.000) 21.490 4.711 ( -3.903 -4.218 0.000) 5.747 5.381 ( -8.709 0.936 0.000) 8.759 5.877 ( -12.047 2.097 0.000) 12.228 7.534 ( -2.734 -0.452 0.000) 2.771 7.874 ( 2.576 0.664 0.000) 2.661 8.326 ( 12.122 0.258 0.000) 12.125 8.601 ( 13.429 6.018 0.000) 14.716 8.687 ( 25.109 -0.436 0.000) 25.113 8.851 ( 38.157 4.712 0.000) 38.447 9.055 ( 7.301 -5.821 0.000) 9.338 9.817 ( -2.174 0.384 0.000) 2.208 10.073 ( 5.995 1.409 0.000) 6.159 10.089 ( 1.616 -0.163 0.000) 1.624 10.765 ( -5.407 4.527 0.000) 7.052 11.002 ( -11.088 0.981 0.000) 11.132 11.511 ( 6.300 -0.637 0.000) 6.332 11.743 ( -11.442 0.606 0.000) 11.458 11.963 ( -16.543 -3.849 0.000) 16.985 12.517 ( -9.821 1.448 0.000) 9.927 12.987 ( 4.614 1.250 0.000) 4.780 13.052 ( 8.410 -2.605 0.000) 8.805 13.738 ( -19.671 0.022 0.000) 19.671 14.067 ( -19.814 -1.800 0.000) 19.896 15.769 ( -5.582 0.629 0.000) 5.617 16.338 ( 2.186 2.247 0.000) 3.135 16.796 ( -9.600 -0.884 0.000) 9.641 17.658 ( -7.980 0.959 0.000) 8.038======================= Grid point 20 (12/219) =======================q-point: ( 0.19 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.759 ( 18.074 -3.829 0.000) 18.475 1.879 ( 17.512 -4.412 0.000) 18.059 2.630 ( 11.416 4.856 0.000) 12.406 2.768 ( 2.691 9.798 0.000) 10.161 2.902 ( 5.247 -6.429 0.000) 8.299 3.202 ( 7.851 -9.191 0.000) 12.088 3.505 ( -3.611 3.215 0.000) 4.835 3.606 ( 8.124 7.340 0.000) 10.949 3.608 ( 14.119 12.379 0.000) 18.777 3.865 ( 26.972 -2.780 0.000) 27.114 3.921 ( 20.580 2.553 0.000) 20.737 4.061 ( 7.889 -0.864 0.000) 7.936 4.122 ( 2.800 -4.949 0.000) 5.687 4.390 ( 15.472 -7.631 0.000) 17.252 4.672 ( -0.641 -1.746 0.000) 1.860 4.829 ( 22.505 -4.248 0.000) 22.903 5.231 ( -4.819 1.673 0.000) 5.101 5.628 ( -12.223 2.416 0.000) 12.460 7.474 ( -4.115 -1.636 0.000) 4.428 7.883 ( -1.188 -0.033 0.000) 1.188 8.545 ( 10.803 -1.873 0.000) 10.964 8.859 ( 18.401 9.076 0.000) 20.517 9.123 ( 19.111 -0.696 0.000) 19.123 9.142 ( 12.629 6.486 0.000) 14.197 9.476 ( 18.435 -4.081 0.000) 18.882 9.798 ( 0.951 1.510 0.000) 1.784 10.122 ( 2.313 1.617 0.000) 2.822 10.206 ( 9.537 3.312 0.000) 10.096 10.668 ( -0.263 7.662 0.000) 7.667 10.780 ( -10.710 0.563 0.000) 10.725 11.583 ( -6.510 2.738 0.000) 7.062 11.650 ( -18.643 -9.228 0.000) 20.802 11.656 ( 6.422 -2.082 0.000) 6.751 12.285 ( -13.232 3.518 0.000) 13.692 13.086 ( 6.786 1.414 0.000) 6.932 13.206 ( 5.957 -2.470 0.000) 6.449 13.362 ( -19.923 3.513 0.000) 20.230 13.637 ( -26.877 -5.446 0.000) 27.423 15.661 ( -5.238 0.822 0.000) 5.303 16.339 ( -0.180 4.231 0.000) 4.235 16.623 ( -9.366 -2.074 0.000) 9.593 17.501 ( -7.861 1.655 0.000) 8.034======================= Grid point 21 (13/219) =======================q-point: ( 0.25 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.067 ( 12.449 -3.295 0.000) 12.878 2.157 ( 9.848 -2.541 0.000) 10.170 2.765 ( 1.824 5.025 0.000) 5.346 2.778 ( 6.661 5.706 0.000) 8.771 3.018 ( 4.799 -6.437 0.000) 8.029 3.332 ( 2.745 1.487 0.000) 3.122 3.429 ( -2.297 2.798 0.000) 3.620 3.604 ( -2.383 4.411 0.000) 5.014 3.671 ( 3.881 7.822 0.000) 8.731 4.077 ( 9.883 6.558 0.000) 11.861 4.257 ( 10.249 4.593 0.000) 11.231 4.278 ( 3.119 -15.076 0.000) 15.395 4.485 ( 24.711 -1.934 0.000) 24.786 4.619 ( 2.444 -10.533 0.000) 10.813 4.708 ( 5.746 0.707 0.000) 5.790 5.210 ( 10.932 1.961 0.000) 11.107 5.282 ( 12.517 1.160 0.000) 12.571 5.479 ( 2.817 -3.348 0.000) 4.376 7.406 ( -4.458 -3.317 0.000) 5.557 7.844 ( -2.697 -0.578 0.000) 2.758 8.768 ( 12.125 -1.587 0.000) 12.228 9.163 ( 18.970 10.141 0.000) 21.510 9.350 ( 4.322 -1.448 0.000) 4.558 9.352 ( 12.802 9.542 0.000) 15.966 9.700 ( 5.290 -3.158 0.000) 6.161 9.806 ( 0.369 6.227 0.000) 6.238 10.161 ( 3.651 3.602 0.000) 5.129 10.385 ( 11.729 5.099 0.000) 12.790 10.656 ( -1.311 -1.357 0.000) 1.887 10.699 ( 8.836 6.729 0.000) 11.107 11.381 ( -11.731 -10.872 0.000) 15.995 11.489 ( -6.172 -0.307 0.000) 6.180 11.711 ( -2.997 -1.965 0.000) 3.584 11.992 ( -15.065 3.851 0.000) 15.549 12.906 ( -25.609 7.739 0.000) 26.753 13.194 ( -23.254 -7.817 0.000) 24.533 13.218 ( 7.725 1.399 0.000) 7.851 13.288 ( 1.627 -0.759 0.000) 1.795 15.567 ( -4.342 0.772 0.000) 4.410 16.292 ( -1.546 4.984 0.000) 5.218 16.479 ( -7.416 -3.000 0.000) 8.000 17.346 ( -7.458 1.858 0.000) 7.686======================= Grid point 22 (14/219) =======================q-point: ( 0.31 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.268 ( 7.506 -2.596 0.000) 7.942 2.286 ( 3.844 -0.046 0.000) 3.845 2.765 ( -0.522 2.304 0.000) 2.363 2.818 ( 0.705 1.649 0.000) 1.793 3.149 ( 5.777 1.280 0.000) 5.917 3.324 ( 1.884 7.325 0.000) 7.564 3.398 ( 0.317 1.801 0.000) 1.829 3.530 ( -2.698 -0.609 0.000) 2.766 3.752 ( 5.590 -1.277 0.000) 5.734 4.138 ( 0.638 10.253 0.000) 10.273 4.279 ( -4.419 4.664 0.000) 6.425 4.347 ( -2.082 -9.620 0.000) 9.842 4.737 ( 6.375 -6.775 0.000) 9.302 4.749 ( 3.074 -13.757 0.000) 14.096 4.944 ( 14.161 1.865 0.000) 14.284 5.237 ( 5.236 12.022 0.000) 13.113 5.587 ( 16.816 -0.989 0.000) 16.845 5.776 ( 16.601 -8.038 0.000) 18.445 7.352 ( -3.442 -4.298 0.000) 5.507 7.799 ( -2.421 -0.830 0.000) 2.559 8.963 ( 5.526 6.620 0.000) 8.623 9.298 ( -0.409 -2.121 0.000) 2.160 9.402 ( -1.534 11.681 0.000) 11.781 9.509 ( 17.398 6.930 0.000) 18.727 9.734 ( -2.877 3.544 0.000) 4.565 9.864 ( 12.318 -4.794 0.000) 13.218 10.211 ( 4.023 5.017 0.000) 6.430 10.572 ( 10.850 5.556 0.000) 12.189 10.747 ( 8.844 -1.856 0.000) 9.037 10.908 ( 14.336 4.895 0.000) 15.149 11.295 ( -9.114 -12.600 0.000) 15.551 11.389 ( -1.017 -1.557 0.000) 1.860 11.526 ( -15.711 3.725 0.000) 16.147 11.727 ( -12.275 -1.661 0.000) 12.387 12.374 ( -24.487 6.653 0.000) 25.374 12.832 ( -19.848 -4.047 0.000) 20.256 13.277 ( -2.162 1.733 0.000) 2.771 13.342 ( 5.550 0.384 0.000) 5.563 15.480 ( -4.115 2.575 0.000) 4.854 16.243 ( -0.962 2.704 0.000) 2.870 16.381 ( -4.736 -2.677 0.000) 5.440 17.208 ( -6.068 1.166 0.000) 6.179======================= Grid point 23 (15/219) =======================q-point: ( 0.38 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.330 ( 1.491 0.283 0.000) 1.518 2.391 ( 4.456 -2.013 0.000) 4.889 2.704 ( -3.428 4.331 0.000) 5.524 2.807 ( -1.102 -0.018 0.000) 1.102 3.182 ( 0.295 4.983 0.000) 4.991 3.377 ( 5.683 -0.830 0.000) 5.743 3.377 ( -1.398 1.953 0.000) 2.402 3.577 ( 5.041 -4.731 0.000) 6.913 3.842 ( 1.855 0.667 0.000) 1.971 4.006 ( -5.988 9.159 0.000) 10.943 4.131 ( -7.539 1.989 0.000) 7.797 4.361 ( -0.473 -5.655 0.000) 5.675 4.866 ( -0.457 -17.881 0.000) 17.887 4.886 ( 5.826 -1.783 0.000) 6.093 5.080 ( 2.622 0.521 0.000) 2.673 5.330 ( 10.911 16.840 0.000) 20.066 5.858 ( 10.317 -1.565 0.000) 10.435 6.083 ( 10.784 -6.551 0.000) 12.618 7.331 ( -0.920 -3.175 0.000) 3.306 7.768 ( -1.250 -0.570 0.000) 1.374 8.828 ( -9.355 9.077 0.000) 13.034 9.259 ( -6.423 5.622 0.000) 8.536 9.404 ( 6.215 -2.894 0.000) 6.856 9.676 ( 0.278 0.220 0.000) 0.354 9.808 ( 13.282 4.082 0.000) 13.895 10.176 ( 17.281 -2.446 0.000) 17.453 10.264 ( 4.685 2.748 0.000) 5.431 10.702 ( 5.070 4.063 0.000) 6.498 10.963 ( 12.020 -1.359 0.000) 12.097 11.027 ( -2.137 6.733 0.000) 7.064 11.133 ( -9.779 -11.300 0.000) 14.944 11.170 ( -17.430 5.256 0.000) 18.205 11.504 ( -13.026 -2.998 0.000) 13.367 11.559 ( 14.761 -3.932 0.000) 15.276 11.983 ( -12.548 4.745 0.000) 13.415 12.483 ( -18.517 -0.824 0.000) 18.535 13.207 ( -3.138 2.791 0.000) 4.200 13.416 ( 2.279 -0.632 0.000) 2.365 15.387 ( -3.251 4.692 0.000) 5.708 16.228 ( -0.330 -0.897 0.000) 0.956 16.330 ( -1.831 -1.013 0.000) 2.093 17.114 ( -3.465 -0.090 0.000) 3.466======================= Grid point 24 (16/219) =======================q-point: ( 0.44 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.352 ( 0.958 -0.145 0.000) 0.969 2.458 ( 1.791 -0.373 0.000) 1.829 2.616 ( -3.024 2.918 0.000) 4.202 2.785 ( -1.167 -0.686 0.000) 1.354 3.141 ( -1.723 2.202 0.000) 2.796 3.350 ( -0.779 0.532 0.000) 0.943 3.523 ( 6.623 -7.758 0.000) 10.201 3.682 ( 1.910 -2.543 0.000) 3.180 3.700 ( -11.261 6.468 0.000) 12.986 3.960 ( 1.928 2.955 0.000) 3.528 4.025 ( -1.491 0.582 0.000) 1.601 4.399 ( 2.372 -1.321 0.000) 2.715 4.926 ( -3.559 -16.416 0.000) 16.798 4.959 ( 1.628 0.892 0.000) 1.856 5.095 ( -0.739 -1.038 0.000) 1.274 5.384 ( 4.962 17.926 0.000) 18.601 5.970 ( 0.650 -0.747 0.000) 0.991 6.228 ( 1.131 -3.487 0.000) 3.666 7.356 ( 2.569 0.160 0.000) 2.574 7.761 ( 0.401 0.002 0.000) 0.401 8.648 ( -5.283 1.319 0.000) 5.445 9.135 ( -5.073 -1.451 0.000) 5.276 9.477 ( 1.013 0.582 0.000) 1.169 9.677 ( -2.127 -3.348 0.000) 3.967 9.911 ( -1.351 2.176 0.000) 2.562 10.326 ( -0.672 0.201 0.000) 0.702 10.460 ( 5.545 0.956 0.000) 5.627 10.673 ( -3.940 0.646 0.000) 3.992 10.906 ( -4.997 0.127 0.000) 4.998 10.910 ( -3.089 -3.581 0.000) 4.730 11.102 ( 3.650 1.025 0.000) 3.791 11.144 ( 0.465 -0.019 0.000) 0.465 11.348 ( 1.657 -0.697 0.000) 1.798 11.822 ( 3.324 -0.670 0.000) 3.391 11.845 ( -1.260 1.432 0.000) 1.907 12.227 ( -1.735 -0.337 0.000) 1.767 13.153 ( -0.751 1.709 0.000) 1.867 13.436 ( -0.709 -1.323 0.000) 1.501 15.324 ( -0.278 4.090 0.000) 4.100 16.225 ( -1.529 -2.933 0.000) 3.307 16.326 ( 1.413 0.968 0.000) 1.713 17.080 ( -0.559 -0.946 0.000) 1.098======================= Grid point 25 (17/219) =======================q-point: (-0.50 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.361 ( 0.217 1.855 0.000) 1.868 2.452 ( -1.868 2.925 0.000) 3.470 2.578 ( -1.018 -3.886 0.000) 4.017 2.779 ( -0.512 -2.292 0.000) 2.348 3.106 ( -1.675 -1.334 0.000) 2.141 3.334 ( -1.554 -1.838 0.000) 2.407 3.442 ( -12.092 4.043 0.000) 12.750 3.659 ( -3.084 1.992 0.000) 3.672 3.698 ( 5.108 -11.952 0.000) 12.998 3.962 ( 0.445 5.153 0.000) 5.172 4.082 ( 5.645 -1.765 0.000) 5.914 4.458 ( 4.036 2.525 0.000) 4.761 4.923 ( -7.022 -16.342 0.000) 17.787 4.942 ( -1.974 2.860 0.000) 3.476 5.062 ( -3.422 -0.866 0.000) 3.530 5.313 ( -1.015 18.475 0.000) 18.503 5.886 ( -9.491 0.739 0.000) 9.520 6.162 ( -9.005 0.181 0.000) 9.007 7.417 ( 4.817 3.969 0.000) 6.242 7.782 ( 1.958 0.621 0.000) 2.054 8.626 ( 0.520 -7.797 0.000) 7.814 9.088 ( -3.136 -8.581 0.000) 9.136 9.457 ( -2.091 1.843 0.000) 2.788 9.583 ( -12.284 -6.683 0.000) 13.984 9.787 ( -7.799 1.342 0.000) 7.914 10.246 ( -4.833 0.496 0.000) 4.858 10.248 ( -16.195 3.403 0.000) 16.549 10.626 ( -8.166 -2.179 0.000) 8.451 10.862 ( -6.814 -6.853 0.000) 9.665 10.923 ( -5.083 -4.413 0.000) 6.732 11.135 ( 11.945 1.835 0.000) 12.085 11.338 ( 19.355 5.518 0.000) 20.126 11.534 ( 12.077 -0.280 0.000) 12.080 11.626 ( -15.255 1.802 0.000) 15.361 11.903 ( 8.696 -1.621 0.000) 8.846 12.490 ( 21.121 -0.378 0.000) 21.124 13.168 ( 2.510 -0.485 0.000) 2.556 13.405 ( -3.473 -1.537 0.000) 3.798 15.339 ( 3.580 1.329 0.000) 3.819 16.196 ( -3.643 -3.912 0.000) 5.346 16.372 ( 4.598 2.651 0.000) 5.308 17.101 ( 1.962 -1.374 0.000) 2.396======================= Grid point 26 (18/219) =======================q-point: (-0.44 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.334 ( -1.306 4.131 0.000) 4.332 2.359 ( -5.379 5.276 0.000) 7.534 2.612 ( -0.644 -9.792 0.000) 9.813 2.770 ( -2.838 -2.617 0.000) 3.860 3.093 ( -1.073 -3.096 0.000) 3.276 3.218 ( -9.970 -0.794 0.000) 10.002 3.313 ( -2.219 -4.605 0.000) 5.112 3.589 ( -2.455 3.181 0.000) 4.018 3.821 ( 0.259 -8.676 0.000) 8.680 3.920 ( -1.883 3.429 0.000) 3.913 4.194 ( 3.756 -2.237 0.000) 4.372 4.511 ( 3.131 3.831 0.000) 4.947 4.817 ( -12.791 -10.096 0.000) 16.295 4.877 ( -1.529 4.943 0.000) 5.174 4.960 ( -9.602 0.328 0.000) 9.608 5.192 ( 0.716 13.122 0.000) 13.141 5.618 ( -17.729 1.641 0.000) 17.804 5.906 ( -16.506 3.189 0.000) 16.811 7.478 ( 4.544 6.193 0.000) 7.681 7.822 ( 2.704 1.117 0.000) 2.926 8.712 ( -0.099 -14.023 0.000) 14.023 9.098 ( -3.562 -14.025 0.000) 14.470 9.296 ( -19.931 -5.292 0.000) 20.622 9.403 ( -1.577 1.489 0.000) 2.169 9.677 ( -4.478 -1.231 0.000) 4.644 9.949 ( -12.967 2.279 0.000) 13.166 10.169 ( -3.347 0.358 0.000) 3.366 10.439 ( -12.546 -5.122 0.000) 13.551 10.723 ( -13.091 -9.226 0.000) 16.015 10.790 ( -6.699 1.654 0.000) 6.900 11.387 ( -8.105 -1.461 0.000) 8.236 11.455 ( 18.091 -1.898 0.000) 18.190 11.603 ( 13.288 11.689 0.000) 17.698 11.738 ( 8.614 -0.916 0.000) 8.663 12.235 ( 23.838 -4.823 0.000) 24.321 12.910 ( 23.799 2.489 0.000) 23.928 13.234 ( 3.002 -1.841 0.000) 3.521 13.323 ( -5.827 -1.111 0.000) 5.932 15.432 ( 5.810 -0.911 0.000) 5.881 16.144 ( -4.405 -5.923 0.000) 7.381 16.462 ( 6.839 4.137 0.000) 7.993 17.169 ( 4.219 -2.217 0.000) 4.766======================= Grid point 27 (19/219) =======================q-point: (-0.38 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.187 ( -9.403 7.063 0.000) 11.760 2.256 ( -4.537 6.058 0.000) 7.568 2.608 ( -6.251 -8.912 0.000) 10.886 2.685 ( -7.449 -2.360 0.000) 7.814 3.096 ( -0.167 -0.733 0.000) 0.752 3.120 ( -3.116 -10.062 0.000) 10.533 3.318 ( -0.524 -6.328 0.000) 6.350 3.516 ( -5.766 -2.216 0.000) 6.177 3.767 ( -4.753 8.207 0.000) 9.484 3.860 ( -8.173 -10.247 0.000) 13.107 4.210 ( -2.740 0.597 0.000) 2.804 4.427 ( -17.286 -1.004 0.000) 17.316 4.629 ( -9.659 8.340 0.000) 12.761 4.710 ( -7.327 0.368 0.000) 7.337 4.846 ( 0.300 8.058 0.000) 8.063 5.200 ( 0.625 2.736 0.000) 2.806 5.253 ( -17.811 -0.869 0.000) 17.832 5.561 ( -14.607 3.153 0.000) 14.944 7.515 ( 3.210 5.765 0.000) 6.598 7.865 ( 2.331 1.144 0.000) 2.596 8.709 ( -8.514 -11.962 0.000) 14.682 8.941 ( -19.967 -3.311 0.000) 20.239 9.071 ( -8.932 -14.136 0.000) 16.721 9.385 ( -3.358 1.713 0.000) 3.769 9.629 ( -0.971 -7.532 0.000) 7.594 9.747 ( -8.392 0.358 0.000) 8.400 10.095 ( -5.775 -2.071 0.000) 6.135 10.242 ( -11.472 -6.244 0.000) 13.062 10.522 ( -11.230 -8.312 0.000) 13.972 10.702 ( -0.481 2.549 0.000) 2.594 11.351 ( 1.502 -5.773 0.000) 5.966 11.761 ( 9.433 1.850 0.000) 9.613 11.762 ( 12.894 14.366 0.000) 19.304 11.876 ( 8.422 -5.427 0.000) 10.019 12.763 ( 27.836 -4.433 0.000) 28.187 13.188 ( -7.390 -0.995 0.000) 7.457 13.294 ( 0.690 -0.434 0.000) 0.815 13.349 ( 25.443 5.593 0.000) 26.051 15.542 ( 4.755 -1.253 0.000) 4.917 16.121 ( -2.256 -9.385 0.000) 9.653 16.576 ( 8.047 5.066 0.000) 9.509 17.283 ( 6.144 -3.429 0.000) 7.036======================= Grid point 28 (20/219) =======================q-point: (-0.31 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.919 ( -14.097 9.665 0.000) 17.092 2.061 ( -11.700 10.692 0.000) 15.849 2.519 ( -7.717 -10.680 0.000) 13.176 2.537 ( -9.338 -2.209 0.000) 9.596 3.056 ( -4.871 5.200 0.000) 7.125 3.150 ( -4.633 -14.066 0.000) 14.809 3.329 ( -6.793 -11.016 0.000) 12.942 3.420 ( -3.572 -7.673 0.000) 8.464 3.581 ( -9.869 9.943 0.000) 14.009 3.726 ( -11.434 -12.028 0.000) 16.596 3.948 ( -29.334 4.803 0.000) 29.724 4.105 ( -7.153 3.203 0.000) 7.837 4.251 ( -20.919 5.043 0.000) 21.518 4.626 ( -15.005 11.091 0.000) 18.659 4.762 ( 6.907 3.715 0.000) 7.843 4.961 ( -19.160 7.203 0.000) 20.469 5.161 ( 4.727 -4.238 0.000) 6.349 5.536 ( 7.598 -5.028 0.000) 9.111 7.539 ( 2.290 3.656 0.000) 4.314 7.888 ( 0.359 0.578 0.000) 0.680 8.539 ( -20.040 -16.346 0.000) 25.861 8.620 ( -11.082 4.272 0.000) 11.877 8.924 ( -13.980 -11.648 0.000) 18.197 9.150 ( -19.171 1.571 0.000) 19.236 9.569 ( -11.397 2.733 0.000) 11.720 9.721 ( 2.388 -5.155 0.000) 5.681 10.008 ( -3.696 -8.417 0.000) 9.193 10.090 ( -8.230 -5.758 0.000) 10.045 10.446 ( -2.790 -9.901 0.000) 10.286 10.762 ( 7.200 -0.606 0.000) 7.226 11.481 ( 8.378 -5.293 0.000) 9.910 11.726 ( -7.151 3.135 0.000) 7.808 11.948 ( 15.722 14.397 0.000) 21.318 12.161 ( 14.359 -5.993 0.000) 15.559 13.064 ( -5.756 -0.136 0.000) 5.758 13.263 ( -3.790 1.774 0.000) 4.184 13.289 ( 25.835 -1.908 0.000) 25.905 13.791 ( 24.804 6.850 0.000) 25.733 15.626 ( 3.760 -2.087 0.000) 4.300 16.160 ( -0.453 -10.793 0.000) 10.803 16.706 ( 8.847 4.786 0.000) 10.058 17.432 ( 7.271 -4.111 0.000) 8.353======================= Grid point 29 (21/219) =======================q-point: (-0.25 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.557 ( -17.231 13.014 0.000) 21.594 1.707 ( -17.387 15.484 0.000) 23.282 2.366 ( -10.131 -1.735 0.000) 10.279 2.445 ( -8.664 -12.428 0.000) 15.149 2.788 ( -20.019 3.940 0.000) 20.403 2.985 ( -22.412 -11.457 0.000) 25.170 3.208 ( -11.577 -7.655 0.000) 13.879 3.221 ( -23.412 13.386 0.000) 26.968 3.366 ( -22.298 1.889 0.000) 22.378 3.470 ( 1.846 -8.225 0.000) 8.429 3.584 ( -17.081 -1.665 0.000) 17.162 3.895 ( -12.959 -1.718 0.000) 13.073 3.935 ( -7.511 -11.180 0.000) 13.469 4.375 ( -3.185 12.260 0.000) 12.667 4.561 ( -16.541 10.794 0.000) 19.751 4.870 ( 7.287 6.625 0.000) 9.848 5.322 ( 8.353 -3.940 0.000) 9.235 5.747 ( 9.522 -8.491 0.000) 12.758 7.560 ( 1.475 1.588 0.000) 2.167 7.846 ( -6.172 -0.956 0.000) 6.245 8.191 ( -24.564 -14.449 0.000) 28.499 8.443 ( -8.343 -0.093 0.000) 8.344 8.674 ( -20.802 -9.605 0.000) 22.913 8.711 ( -25.194 1.545 0.000) 25.242 9.274 ( -13.956 10.531 0.000) 17.484 9.735 ( -2.177 -7.299 0.000) 7.617 9.996 ( -5.015 -4.422 0.000) 6.686 10.074 ( 4.942 -3.053 0.000) 5.809 10.516 ( 2.307 -14.911 0.000) 15.088 10.941 ( 9.271 -3.884 0.000) 10.051 11.546 ( -8.258 2.173 0.000) 8.539 11.719 ( 15.417 -0.845 0.000) 15.440 12.167 ( 14.780 11.922 0.000) 18.989 12.441 ( 11.963 -4.190 0.000) 12.676 12.972 ( -4.408 0.431 0.000) 4.429 13.141 ( -6.785 3.919 0.000) 7.835 13.749 ( 23.015 1.410 0.000) 23.058 14.161 ( 17.193 5.309 0.000) 17.994 15.730 ( 6.033 -2.614 0.000) 6.575 16.197 ( -2.240 -9.484 0.000) 9.745 16.851 ( 8.979 3.662 0.000) 9.698 17.596 ( 7.597 -4.143 0.000) 8.654======================= Grid point 30 (22/219) =======================q-point: (-0.19 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.139 ( -17.691 17.253 0.000) 24.711 1.258 ( -18.610 21.118 0.000) 28.148 2.099 ( -37.641 4.477 0.000) 37.906 2.141 ( -18.520 -2.470 0.000) 18.684 2.364 ( -17.323 4.309 0.000) 17.851 2.598 ( -14.253 -6.016 0.000) 15.471 2.816 ( -16.023 -6.629 0.000) 17.340 2.936 ( -18.672 -0.623 0.000) 18.683 2.984 ( -18.996 0.338 0.000) 18.999 3.162 ( -22.678 3.105 0.000) 22.889 3.562 ( 2.274 -9.244 0.000) 9.520 3.754 ( -4.201 -7.360 0.000) 8.475 4.029 ( 2.905 -18.908 0.000) 19.130 4.241 ( -9.601 14.027 0.000) 16.998 4.313 ( 2.352 11.794 0.000) 12.026 4.950 ( 5.908 9.212 0.000) 10.944 5.490 ( 6.837 -3.725 0.000) 7.786 5.964 ( 7.639 -9.669 0.000) 12.322 7.568 ( -0.951 -0.842 0.000) 1.270 7.569 ( -30.373 -6.792 0.000) 31.123 7.788 ( -29.602 -21.434 0.000) 36.547 8.223 ( -21.491 11.486 0.000) 24.368 8.239 ( -22.317 0.941 0.000) 22.336 8.302 ( -7.728 -1.636 0.000) 7.899 9.063 ( -2.496 5.552 0.000) 6.087 9.760 ( -0.985 -10.472 0.000) 10.518 9.951 ( -2.213 -3.475 0.000) 4.120 10.223 ( 13.148 5.566 0.000) 14.277 10.666 ( 3.519 -15.350 0.000) 15.748 11.116 ( 6.163 -4.759 0.000) 7.787 11.446 ( -1.701 -0.564 0.000) 1.792 12.075 ( 22.519 2.181 0.000) 22.624 12.339 ( 9.819 10.015 0.000) 14.025 12.647 ( 7.912 -1.606 0.000) 8.073 12.868 ( -6.731 0.507 0.000) 6.750 13.006 ( -4.000 4.833 0.000) 6.274 14.129 ( 18.461 2.916 0.000) 18.689 14.346 ( 4.240 1.291 0.000) 4.433 15.842 ( 1.375 -2.682 0.000) 3.014 16.203 ( 0.216 -5.785 0.000) 5.789 16.991 ( 7.531 2.606 0.000) 7.969 17.758 ( 6.971 -3.981 0.000) 8.028======================= Grid point 31 (23/219) =======================q-point: (-0.12 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.712 ( -14.740 23.852 0.000) 28.039 0.790 ( -16.793 26.196 0.000) 31.117 1.218 ( -43.306 20.220 0.000) 47.793 1.700 ( -23.246 -0.529 0.000) 23.252 2.182 ( -2.719 3.483 0.000) 4.419 2.353 ( -12.860 0.512 0.000) 12.871 2.600 ( -15.230 0.542 0.000) 15.240 2.643 ( -12.124 -3.797 0.000) 12.705 2.729 ( -10.108 -5.265 0.000) 11.397 2.822 ( -9.438 -11.478 0.000) 14.860 3.643 ( 1.314 -6.273 0.000) 6.409 3.788 ( 1.054 -12.006 0.000) 12.052 3.992 ( -4.204 17.787 0.000) 18.277 4.230 ( 3.205 -18.927 0.000) 19.197 4.297 ( 2.428 11.128 0.000) 11.390 4.982 ( 3.620 11.083 0.000) 11.659 5.612 ( 3.858 -3.112 0.000) 4.957 6.132 ( 4.269 -9.009 0.000) 9.969 6.818 ( -42.184 0.919 0.000) 42.194 7.207 ( -53.677 -42.886 0.000) 68.706 7.582 ( -0.806 -0.352 0.000) 0.880 7.890 ( -13.440 -0.050 0.000) 13.440 7.904 ( -5.223 17.981 0.000) 18.724 8.194 ( -4.780 -1.289 0.000) 4.951 9.058 ( 1.658 -0.694 0.000) 1.798 9.802 ( -0.990 -10.356 0.000) 10.403 9.947 ( -0.354 -2.681 0.000) 2.704 10.554 ( 28.299 12.448 0.000) 30.916 10.820 ( 8.627 -4.905 0.000) 9.924 11.229 ( 3.297 -4.599 0.000) 5.659 11.460 ( 0.951 -2.804 0.000) 2.961 12.414 ( 4.646 8.327 0.000) 9.536 12.490 ( 19.826 2.149 0.000) 19.942 12.716 ( -2.991 1.478 0.000) 3.337 12.782 ( 1.212 -0.588 0.000) 1.347 12.932 ( -1.415 4.559 0.000) 4.773 14.317 ( -7.331 -3.935 0.000) 8.320 14.393 ( 10.490 2.196 0.000) 10.717 15.712 ( -19.945 -12.031 0.000) 23.293 16.333 ( 12.229 4.421 0.000) 13.004 17.092 ( 4.286 1.943 0.000) 4.706 17.891 ( 4.502 -3.625 0.000) 5.780======================= Grid point 32 (24/219) =======================q-point: (-0.06 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.307 ( -0.000 26.364 0.000) 26.364 0.374 ( -0.000 32.506 0.000) 32.506 0.539 ( -0.000 47.083 0.000) 47.083 1.453 ( -0.000 0.241 0.000) 0.241 2.157 ( -0.000 2.295 0.000) 2.295 2.212 ( -0.000 0.052 0.000) 0.052 2.432 ( -0.000 0.682 0.000) 0.682 2.522 ( 0.000 -1.664 0.000) 1.664 2.590 ( -0.000 1.777 0.000) 1.777 2.880 ( 0.000 -19.387 0.000) 19.387 3.682 ( 0.000 -3.386 0.000) 3.386 3.851 ( -0.000 16.926 0.000) 16.926 3.886 ( 0.000 -13.943 0.000) 13.943 4.260 ( -0.000 10.967 0.000) 10.967 4.398 ( 0.000 -18.745 0.000) 18.745 4.961 ( -0.000 11.435 0.000) 11.435 5.665 ( 0.000 -2.163 0.000) 2.163 6.136 ( -0.000 4.872 0.000) 4.872 6.228 ( 0.000 -5.442 0.000) 5.442 6.336 ( -0.000 5.120 0.000) 5.120 7.578 ( 0.000 -0.307 0.000) 0.307 7.761 ( 0.000 -0.214 0.000) 0.214 7.769 ( -0.000 13.526 0.000) 13.526 8.146 ( -0.000 0.294 0.000) 0.294 9.087 ( 0.000 -1.773 0.000) 1.773 9.844 ( 0.000 -7.706 0.000) 7.706 9.959 ( 0.000 -1.871 0.000) 1.871 10.837 ( 0.000 -13.312 0.000) 13.312 11.288 ( 0.000 -3.759 0.000) 3.759 11.341 ( 0.000 -3.717 0.000) 3.717 11.486 ( 0.000 -2.638 0.000) 2.638 12.406 ( -0.000 5.883 0.000) 5.883 12.665 ( -0.000 1.188 0.000) 1.188 12.697 ( -0.000 1.197 0.000) 1.197 12.806 ( 0.000 -0.427 0.000) 0.427 12.895 ( -0.000 3.945 0.000) 3.945 14.130 ( -0.000 1.214 0.000) 1.214 14.486 ( -0.000 0.933 0.000) 0.933 15.329 ( -0.000 1.423 0.000) 1.423 16.521 ( -0.000 0.025 0.000) 0.025 17.123 ( -0.000 1.375 0.000) 1.375 17.954 ( 0.000 -2.697 0.000) 2.697======================= Grid point 35 (25/219) =======================q-point: ( 0.12 0.12 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 219Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.737 ( 18.686 0.000 0.000) 18.686 1.854 ( 18.423 0.000 0.000) 18.423 2.665 ( 12.627 0.000 0.000) 12.627 2.836 ( 0.100 0.000 0.000) 0.100 2.859 ( 4.227 0.000 0.000) 4.227 3.134 ( 10.464 0.000 0.000) 10.464 3.523 ( -4.075 -0.000 0.000) 4.075 3.652 ( 7.397 0.000 0.000) 7.397 3.704 ( 16.203 0.000 0.000) 16.203 3.834 ( 28.329 0.000 0.000) 28.329 3.931 ( 22.892 0.000 0.000) 22.892 4.056 ( 8.403 0.000 0.000) 8.403 4.092 ( -5.364 -0.000 0.000) 5.364 4.343 ( 15.684 0.000 0.000) 15.684 4.665 ( 0.426 0.000 0.000) 0.426 4.802 ( 23.882 0.000 0.000) 23.882 5.240 ( -4.864 -0.000 0.000) 4.864 5.643 ( -12.829 -0.000 0.000) 12.829 7.465 ( -4.359 -0.000 0.000) 4.359 7.883 ( -1.357 -0.000 0.000) 1.357 8.534 ( 10.697 0.000 0.000) 10.697 8.913 ( 17.753 0.000 0.000) 17.753 9.119 ( 19.036 0.000 0.000) 19.036 9.183 ( 11.334 0.000 0.000) 11.334 9.449 ( 20.610 0.000 0.000) 20.610 9.806 ( 1.699 0.000 0.000) 1.699 10.130 ( 2.455 0.000 0.000) 2.455 10.226 ( 9.731 0.000 0.000) 9.731 10.716 ( -0.265 -0.000 0.000) 0.265 10.783 ( -11.212 -0.000 0.000) 11.212 11.591 ( -20.756 -0.000 0.000) 20.756 11.602 ( -5.239 -0.000 0.000) 5.239 11.644 ( 6.324 0.000 0.000) 6.324 12.306 ( -13.187 -0.000 0.000) 13.187 13.096 ( 6.826 0.000 0.000) 6.826 13.189 ( 6.445 0.000 0.000) 6.445 13.386 ( -17.841 -0.000 0.000) 17.841 13.602 ( -28.341 -0.000 0.000) 28.341 15.665 ( -5.460 -0.000 0.000) 5.460 16.363 ( -0.268 -0.000 0.000) 0.268 16.611 ( -9.445 -0.000 0.000) 9.445 17.511 ( -7.943 -0.000 0.000) 7.943======================= Grid point 36 (26/219) =======================q-point: ( 0.19 0.12 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.042 ( 13.220 -1.116 0.000) 13.267 2.138 ( 11.436 -0.821 0.000) 11.465 2.807 ( -1.449 2.080 0.000) 2.535 2.849 ( 3.948 6.499 0.000) 7.605 2.939 ( 8.207 -6.898 0.000) 10.721 3.318 ( 7.566 -1.731 0.000) 7.762 3.450 ( -3.168 0.867 0.000) 3.284 3.642 ( -4.345 1.840 0.000) 4.719 3.806 ( -0.203 11.949 0.000) 11.950 4.105 ( 4.229 -12.844 0.000) 13.522 4.130 ( 10.477 2.326 0.000) 10.732 4.314 ( 15.311 4.341 0.000) 15.915 4.470 ( 22.595 -0.823 0.000) 22.610 4.514 ( -0.022 -6.508 0.000) 6.508 4.717 ( 6.099 0.551 0.000) 6.124 5.228 ( 19.779 0.980 0.000) 19.803 5.292 ( 11.502 0.432 0.000) 11.510 5.450 ( -4.852 -1.444 0.000) 5.063 7.380 ( -4.715 -1.172 0.000) 4.858 7.840 ( -2.825 -0.202 0.000) 2.832 8.754 ( 13.031 -0.735 0.000) 13.051 9.248 ( 18.403 4.200 0.000) 18.876 9.334 ( 3.696 -1.038 0.000) 3.839 9.434 ( 15.566 4.121 0.000) 16.102 9.667 ( 2.928 -1.977 0.000) 3.533 9.855 ( 0.968 2.177 0.000) 2.383 10.197 ( 6.011 1.984 0.000) 6.330 10.427 ( 11.815 1.974 0.000) 11.978 10.645 ( -1.948 -0.514 0.000) 2.015 10.760 ( 5.945 3.387 0.000) 6.842 11.265 ( -13.191 -6.523 0.000) 14.716 11.502 ( -5.930 0.895 0.000) 5.997 11.695 ( -1.831 -0.782 0.000) 1.991 12.023 ( -16.356 1.411 0.000) 16.417 12.998 ( -26.561 7.988 0.000) 27.736 13.102 ( -21.213 -7.964 0.000) 22.659 13.231 ( 7.300 0.765 0.000) 7.340 13.280 ( 2.743 -0.554 0.000) 2.798 15.573 ( -4.129 0.270 0.000) 4.138 16.331 ( -2.444 1.728 0.000) 2.993 16.455 ( -7.236 -1.067 0.000) 7.314 17.361 ( -7.780 0.647 0.000) 7.806======================= Grid point 37 (27/219) =======================q-point: ( 0.25 0.12 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 390Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.246 ( 8.116 -1.242 0.000) 8.210 2.292 ( 5.145 0.671 0.000) 5.189 2.774 ( -1.624 -0.176 0.000) 1.633 2.833 ( -1.386 0.978 0.000) 1.696 3.157 ( 10.263 0.282 0.000) 10.267 3.394 ( 1.148 4.188 0.000) 4.342 3.405 ( -1.021 -0.175 0.000) 1.036 3.536 ( -5.050 1.118 0.000) 5.172 3.777 ( 4.263 5.192 0.000) 6.718 4.176 ( -0.775 -7.165 0.000) 7.207 4.298 ( 4.891 5.382 0.000) 7.273 4.330 ( -7.726 3.944 0.000) 8.675 4.606 ( -2.778 -10.891 0.000) 11.240 4.666 ( 11.221 -5.219 0.000) 12.375 4.959 ( 12.752 0.797 0.000) 12.777 5.379 ( 9.259 12.088 0.000) 15.227 5.579 ( 16.169 -0.505 0.000) 16.177 5.674 ( 16.137 -9.507 0.000) 18.730 7.314 ( -3.082 -2.322 0.000) 3.859 7.791 ( -2.347 -0.459 0.000) 2.392 9.015 ( 12.709 2.881 0.000) 13.031 9.276 ( -6.861 -1.681 0.000) 7.064 9.518 ( -5.934 8.123 0.000) 10.060 9.574 ( 17.390 4.067 0.000) 17.859 9.771 ( -5.926 2.533 0.000) 6.444 9.809 ( 15.065 -4.579 0.000) 15.745 10.285 ( 4.627 7.103 0.000) 8.477 10.625 ( 10.397 3.625 0.000) 11.010 10.728 ( 9.001 -1.396 0.000) 9.109 10.914 ( 9.341 -3.882 0.000) 10.116 11.199 ( -0.320 -3.445 0.000) 3.460 11.367 ( -6.325 -2.065 0.000) 6.654 11.566 ( -12.191 2.953 0.000) 12.544 11.705 ( -15.948 -1.890 0.000) 16.060 12.443 ( -25.756 4.882 0.000) 26.214 12.788 ( -17.464 -3.290 0.000) 17.771 13.294 ( -1.001 1.147 0.000) 1.522 13.344 ( 4.650 0.006 0.000) 4.650 15.505 ( -2.741 1.669 0.000) 3.209 16.265 ( -3.195 1.245 0.000) 3.429 16.357 ( -3.900 -1.421 0.000) 4.151 17.218 ( -6.774 0.576 0.000) 6.798======================= Grid point 38 (28/219) =======================q-point: ( 0.31 0.12 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.342 ( 1.538 1.543 0.000) 2.178 2.373 ( 5.020 -1.127 0.000) 5.145 2.734 ( -2.839 0.916 0.000) 2.983 2.803 ( -1.737 -0.618 0.000) 1.843 3.244 ( 0.579 5.732 0.000) 5.761 3.382 ( 1.072 1.399 0.000) 1.762 3.394 ( -2.040 0.524 0.000) 2.106 3.524 ( 4.653 -4.264 0.000) 6.312 3.861 ( 4.933 2.882 0.000) 5.713 4.098 ( -8.769 5.493 0.000) 10.347 4.149 ( -8.577 1.187 0.000) 8.659 4.303 ( 1.118 -3.215 0.000) 3.404 4.675 ( 0.461 -15.231 0.000) 15.238 4.870 ( 8.068 -0.958 0.000) 8.125 5.085 ( 2.375 0.356 0.000) 2.401 5.517 ( 11.662 15.717 0.000) 19.571 5.841 ( 10.337 -1.289 0.000) 10.417 5.993 ( 11.163 -9.219 0.000) 14.477 7.301 ( 0.550 -2.087 0.000) 2.158 7.762 ( -0.967 -0.391 0.000) 1.043 8.925 ( -12.879 7.556 0.000) 14.932 9.310 ( -10.714 3.265 0.000) 11.200 9.365 ( 9.306 -3.792 0.000) 10.048 9.675 ( -2.900 -0.004 0.000) 2.900 9.854 ( 12.988 3.364 0.000) 13.417 10.154 ( 18.680 -1.427 0.000) 18.734 10.308 ( 2.680 4.739 0.000) 5.444 10.748 ( 3.989 3.800 0.000) 5.509 10.939 ( 10.302 -2.470 0.000) 10.594 10.985 ( -11.567 -11.378 0.000) 16.225 11.116 ( -0.257 5.962 0.000) 5.968 11.241 ( -15.891 6.769 0.000) 17.272 11.460 ( -13.092 -4.631 0.000) 13.887 11.512 ( 16.063 -4.138 0.000) 16.587 12.035 ( -14.114 4.055 0.000) 14.685 12.473 ( -17.216 -0.974 0.000) 17.243 13.241 ( -2.760 2.989 0.000) 4.068 13.404 ( 1.375 -1.434 0.000) 1.986 15.443 ( -1.946 4.782 0.000) 5.162 16.210 ( -2.694 -1.895 0.000) 3.294 16.322 ( -0.503 -0.389 0.000) 0.636 17.111 ( -4.284 -0.352 0.000) 4.299======================= Grid point 39 (29/219) =======================q-point: ( 0.38 0.12 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 390Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.352 ( 0.446 0.193 0.000) 0.486 2.453 ( 3.032 -0.453 0.000) 3.066 2.657 ( -3.543 3.811 0.000) 5.203 2.775 ( -1.778 -1.102 0.000) 2.092 3.178 ( -3.233 4.100 0.000) 5.221 3.354 ( -1.972 -0.067 0.000) 1.973 3.439 ( 3.175 -6.679 0.000) 7.395 3.645 ( 3.670 -3.523 0.000) 5.088 3.772 ( -12.113 6.149 0.000) 13.585 4.001 ( 2.806 3.608 0.000) 4.571 4.032 ( -2.346 0.645 0.000) 2.433 4.377 ( 4.428 -2.349 0.000) 5.013 4.744 ( -2.589 -14.602 0.000) 14.830 4.972 ( 2.933 1.280 0.000) 3.200 5.089 ( -1.191 -0.285 0.000) 1.224 5.586 ( 5.263 17.129 0.000) 17.919 5.959 ( 1.204 -1.081 0.000) 1.618 6.169 ( 2.196 -6.831 0.000) 7.175 7.358 ( 4.765 0.225 0.000) 4.771 7.761 ( 0.740 0.004 0.000) 0.740 8.668 ( -9.947 1.996 0.000) 10.145 9.115 ( -9.243 -1.998 0.000) 9.457 9.482 ( 1.736 -0.038 0.000) 1.736 9.638 ( -3.291 -2.945 0.000) 4.417 9.938 ( -3.038 2.151 0.000) 3.722 10.329 ( -1.549 0.212 0.000) 1.563 10.473 ( 10.346 1.250 0.000) 10.421 10.682 ( -7.628 0.992 0.000) 7.692 10.861 ( -2.605 -4.627 0.000) 5.310 10.908 ( -8.761 0.146 0.000) 8.762 11.114 ( 4.106 1.052 0.000) 4.239 11.144 ( -0.045 0.045 0.000) 0.064 11.337 ( 3.616 -1.056 0.000) 3.767 11.811 ( 6.552 -1.082 0.000) 6.641 11.867 ( -2.649 2.177 0.000) 3.429 12.222 ( -3.276 -0.575 0.000) 3.326 13.180 ( -1.432 2.842 0.000) 3.182 13.415 ( -1.269 -2.298 0.000) 2.625 15.386 ( -0.310 6.389 0.000) 6.396 16.180 ( -2.999 -4.772 0.000) 5.636 16.340 ( 2.665 1.424 0.000) 3.021 17.066 ( -1.087 -1.392 0.000) 1.766======================= Grid point 40 (30/219) =======================q-point: (-0.56 0.12 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.364 ( 0.481 -1.552 0.000) 1.625 2.482 ( 0.154 2.288 0.000) 2.293 2.571 ( -3.205 2.948 0.000) 4.354 2.752 ( -1.484 -2.254 0.000) 2.699 3.103 ( -2.895 0.911 0.000) 3.035 3.310 ( -3.551 -2.450 0.000) 4.314 3.488 ( -13.597 3.547 0.000) 14.052 3.560 ( 3.211 -11.352 0.000) 11.798 3.672 ( -1.170 0.468 0.000) 1.260 4.029 ( 2.274 6.087 0.000) 6.497 4.067 ( 5.093 -0.754 0.000) 5.149 4.476 ( 5.086 0.701 0.000) 5.134 4.744 ( -5.965 -14.519 0.000) 15.697 4.974 ( -1.139 2.662 0.000) 2.895 5.052 ( -3.227 -0.771 0.000) 3.318 5.520 ( -1.471 17.449 0.000) 17.511 5.891 ( -8.721 0.169 0.000) 8.723 6.145 ( -7.741 -3.148 0.000) 8.357 7.460 ( 6.644 3.494 0.000) 7.506 7.788 ( 2.266 0.504 0.000) 2.321 8.548 ( -4.133 -5.757 0.000) 7.087 8.993 ( -6.763 -7.902 0.000) 10.401 9.454 ( -6.746 -3.679 0.000) 7.684 9.533 ( -8.068 -0.530 0.000) 8.085 9.800 ( -7.981 0.789 0.000) 8.020 10.254 ( -4.237 0.863 0.000) 4.324 10.283 ( -17.250 2.698 0.000) 17.459 10.611 ( -9.733 -0.320 0.000) 9.738 10.789 ( -8.958 -5.778 0.000) 10.660 10.869 ( -0.823 -4.841 0.000) 4.910 11.163 ( 9.732 2.824 0.000) 10.134 11.383 ( 21.661 2.525 0.000) 21.808 11.524 ( 11.176 -1.365 0.000) 11.259 11.641 ( -15.851 0.852 0.000) 15.874 11.896 ( 7.080 0.310 0.000) 7.086 12.482 ( 22.080 -1.004 0.000) 22.103 13.169 ( 1.442 0.717 0.000) 1.611 13.383 ( -3.485 -2.225 0.000) 4.135 15.374 ( 2.610 4.545 0.000) 5.241 16.139 ( -4.783 -5.897 0.000) 7.593 16.405 ( 5.556 2.965 0.000) 6.298 17.081 ( 1.552 -1.896 0.000) 2.450======================= Grid point 41 (31/219) =======================q-point: (-0.50 0.12 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 390Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.376 ( -0.004 1.372 0.000) 1.372 2.424 ( -3.808 5.922 0.000) 7.040 2.516 ( -2.812 -4.579 0.000) 5.374 2.737 ( -2.471 -3.014 0.000) 3.897 3.062 ( -1.820 -2.158 0.000) 2.823 3.226 ( -12.138 1.940 0.000) 12.292 3.259 ( -3.623 -4.941 0.000) 6.127 3.620 ( -3.572 2.103 0.000) 4.145 3.675 ( 0.211 -14.128 0.000) 14.130 4.004 ( -0.850 8.236 0.000) 8.280 4.179 ( 5.199 -0.448 0.000) 5.218 4.531 ( -0.499 -0.588 0.000) 0.771 4.703 ( -4.815 -8.875 0.000) 10.097 4.925 ( -1.311 3.338 0.000) 3.586 4.957 ( -8.115 -0.302 0.000) 8.121 5.361 ( -4.024 15.298 0.000) 15.818 5.637 ( -17.405 1.619 0.000) 17.481 5.927 ( -15.748 0.432 0.000) 15.754 7.547 ( 5.118 5.832 0.000) 7.759 7.835 ( 2.928 1.031 0.000) 3.105 8.553 ( -2.395 -13.219 0.000) 13.434 8.943 ( -5.294 -12.834 0.000) 13.882 9.223 ( -17.868 -6.812 0.000) 19.123 9.439 ( -1.869 4.167 0.000) 4.567 9.667 ( -6.624 -0.730 0.000) 6.664 9.965 ( -14.805 0.508 0.000) 14.814 10.178 ( -3.491 1.128 0.000) 3.668 10.391 ( -13.134 -3.168 0.000) 13.511 10.621 ( -13.129 -8.489 0.000) 15.635 10.806 ( -4.792 0.989 0.000) 4.893 11.365 ( -11.242 -2.148 0.000) 11.445 11.444 ( 17.650 0.024 0.000) 17.650 11.719 ( 9.539 0.261 0.000) 9.543 11.719 ( 13.350 6.042 0.000) 14.653 12.190 ( 23.708 -2.997 0.000) 23.897 12.932 ( 25.295 1.274 0.000) 25.327 13.214 ( 2.323 -1.568 0.000) 2.803 13.310 ( -5.025 -1.144 0.000) 5.154 15.433 ( 5.061 1.114 0.000) 5.182 16.069 ( -6.229 -7.003 0.000) 9.373 16.510 ( 7.561 4.111 0.000) 8.607 17.142 ( 3.538 -2.438 0.000) 4.296======================= Grid point 42 (32/219) =======================q-point: (-0.44 0.12 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.276 ( -7.624 8.373 0.000) 11.324 2.330 ( -2.488 6.490 0.000) 6.951 2.496 ( -5.605 -10.222 0.000) 11.658 2.666 ( -6.436 -1.106 0.000) 6.530 3.039 ( -7.253 -3.907 0.000) 8.238 3.065 ( 0.058 -4.295 0.000) 4.295 3.245 ( -1.367 -6.481 0.000) 6.624 3.499 ( -9.486 -0.934 0.000) 9.532 3.694 ( -7.251 -13.526 0.000) 15.347 3.896 ( -5.483 8.689 0.000) 10.275 4.230 ( 0.440 2.873 0.000) 2.907 4.407 ( -14.301 -1.970 0.000) 14.436 4.700 ( 2.210 2.619 0.000) 3.427 4.713 ( -16.882 1.690 0.000) 16.966 4.917 ( 2.420 4.207 0.000) 4.853 5.251 ( -21.032 0.829 0.000) 21.048 5.255 ( -1.132 6.654 0.000) 6.750 5.590 ( -16.858 1.987 0.000) 16.975 7.582 ( 2.332 5.800 0.000) 6.251 7.879 ( 2.310 1.343 0.000) 2.672 8.541 ( -9.546 -15.869 0.000) 18.519 8.908 ( -7.750 -14.046 0.000) 16.042 8.926 ( -15.384 -0.697 0.000) 15.400 9.407 ( -2.720 2.156 0.000) 3.471 9.554 ( -4.180 -5.397 0.000) 6.826 9.738 ( -9.911 -1.950 0.000) 10.101 10.076 ( -8.689 -1.193 0.000) 8.770 10.180 ( -11.239 -4.345 0.000) 12.050 10.427 ( -10.820 -8.320 0.000) 13.649 10.732 ( -0.971 2.717 0.000) 2.886 11.282 ( 0.123 -6.089 0.000) 6.091 11.774 ( 16.034 0.000 0.000) 16.034 11.822 ( 1.872 -3.511 0.000) 3.979 11.914 ( 13.456 12.020 0.000) 18.042 12.724 ( 29.340 -2.532 0.000) 29.449 13.180 ( -6.309 -0.500 0.000) 6.329 13.285 ( 1.032 -1.107 0.000) 1.513 13.405 ( 26.590 4.162 0.000) 26.914 15.529 ( 4.463 -0.991 0.000) 4.572 16.009 ( -4.487 -9.925 0.000) 10.892 16.634 ( 8.324 4.991 0.000) 9.705 17.243 ( 5.394 -3.557 0.000) 6.461======================= Grid point 43 (33/219) =======================q-point: (-0.38 0.12 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 390Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.039 ( -11.597 11.283 0.000) 16.180 2.189 ( -8.221 11.348 0.000) 14.013 2.402 ( -9.050 -9.905 0.000) 13.417 2.526 ( -8.233 0.301 0.000) 8.239 2.997 ( -4.485 -11.733 0.000) 12.560 3.088 ( -1.157 -0.659 0.000) 1.332 3.215 ( -12.250 -7.562 0.000) 14.396 3.328 ( -4.289 -8.508 0.000) 9.528 3.565 ( -13.281 -13.545 0.000) 18.969 3.696 ( -11.307 6.975 0.000) 13.285 4.021 ( -24.192 8.140 0.000) 25.524 4.150 ( -7.502 4.669 0.000) 8.837 4.303 ( -22.844 4.206 0.000) 23.228 4.747 ( -15.216 9.766 0.000) 18.081 4.783 ( 5.589 -0.004 0.000) 5.589 5.051 ( -15.706 8.316 0.000) 17.772 5.108 ( 5.001 -4.869 0.000) 6.980 5.479 ( 4.049 -4.759 0.000) 6.248 7.582 ( 0.908 3.807 0.000) 3.914 7.898 ( 0.146 1.133 0.000) 1.142 8.356 ( -19.105 -15.367 0.000) 24.518 8.669 ( -10.828 4.231 0.000) 11.625 8.786 ( -13.388 -12.313 0.000) 18.189 9.169 ( -19.017 1.759 0.000) 19.098 9.585 ( -8.554 -0.239 0.000) 8.557 9.653 ( 4.399 -6.755 0.000) 8.061 9.906 ( -7.620 -8.732 0.000) 11.589 10.030 ( -7.442 -4.659 0.000) 8.780 10.334 ( -5.308 -9.787 0.000) 11.134 10.760 ( 4.883 0.230 0.000) 4.889 11.422 ( 10.702 -4.837 0.000) 11.744 11.754 ( -7.264 1.463 0.000) 7.410 12.102 ( 15.360 -4.065 0.000) 15.888 12.107 ( 14.815 13.216 0.000) 19.853 13.068 ( -4.974 0.807 0.000) 5.039 13.276 ( -2.721 0.421 0.000) 2.754 13.277 ( 28.223 -0.258 0.000) 28.224 13.865 ( 24.729 5.981 0.000) 25.442 15.600 ( 2.775 -2.305 0.000) 3.607 16.027 ( -0.962 -12.287 0.000) 12.324 16.763 ( 8.536 5.079 0.000) 9.933 17.382 ( 6.830 -4.574 0.000) 8.220======================= Grid point 44 (34/219) =======================q-point: (-0.31 0.12 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.720 ( -14.039 15.239 0.000) 20.721 1.892 ( -14.109 16.319 0.000) 21.572 2.306 ( -8.105 -11.675 0.000) 14.212 2.361 ( -9.137 0.967 0.000) 9.188 2.810 ( -23.094 -0.404 0.000) 23.098 2.863 ( -18.501 -9.427 0.000) 20.764 3.127 ( -5.308 -6.369 0.000) 8.291 3.346 ( -22.556 3.489 0.000) 22.824 3.368 ( 0.171 -9.534 0.000) 9.536 3.384 ( -19.643 2.053 0.000) 19.750 3.542 ( -14.447 -1.520 0.000) 14.526 3.858 ( -20.230 -1.995 0.000) 20.328 3.883 ( -16.824 -0.310 0.000) 16.827 4.511 ( -2.953 11.403 0.000) 11.779 4.682 ( -12.978 9.779 0.000) 16.250 4.931 ( 7.211 4.149 0.000) 8.320 5.272 ( 8.075 -4.740 0.000) 9.363 5.643 ( 7.479 -9.469 0.000) 12.066 7.578 ( 0.260 1.562 0.000) 1.583 7.842 ( -7.236 0.378 0.000) 7.246 8.023 ( -25.095 -14.015 0.000) 28.744 8.463 ( -9.147 2.860 0.000) 9.584 8.556 ( -17.710 -10.968 0.000) 20.832 8.731 ( -25.311 1.963 0.000) 25.387 9.384 ( -10.054 8.404 0.000) 13.104 9.639 ( -5.904 -9.118 0.000) 10.862 9.947 ( -4.290 -3.985 0.000) 5.855 10.015 ( 8.803 -7.198 0.000) 11.371 10.339 ( -1.029 -15.744 0.000) 15.777 10.896 ( 7.557 -3.956 0.000) 8.530 11.573 ( -8.952 2.460 0.000) 9.284 11.714 ( 18.524 -0.040 0.000) 18.524 12.306 ( 13.595 12.108 0.000) 18.205 12.395 ( 13.226 -3.682 0.000) 13.728 12.983 ( -3.984 1.313 0.000) 4.194 13.180 ( -5.866 2.890 0.000) 6.539 13.772 ( 24.908 2.518 0.000) 25.035 14.222 ( 15.462 5.093 0.000) 16.279 15.696 ( 6.199 -3.180 0.000) 6.967 16.077 ( -1.515 -11.317 0.000) 11.418 16.897 ( 8.472 4.267 0.000) 9.486 17.544 ( 7.318 -4.977 0.000) 8.850======================= Grid point 45 (35/219) =======================q-point: (-0.25 0.12 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 390Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.356 ( -13.464 20.197 0.000) 24.274 1.502 ( -15.852 20.495 0.000) 25.910 2.125 ( -18.867 -0.425 0.000) 18.872 2.131 ( -21.828 -0.317 0.000) 21.830 2.399 ( -15.965 1.817 0.000) 16.068 2.502 ( -16.454 -7.896 0.000) 18.251 2.812 ( -23.912 5.393 0.000) 24.513 2.936 ( -16.477 0.706 0.000) 16.492 2.989 ( -20.967 0.544 0.000) 20.974 3.199 ( -22.758 3.093 0.000) 22.967 3.433 ( 0.353 -12.760 0.000) 12.765 3.679 ( -5.790 -6.264 0.000) 8.530 3.787 ( 0.638 -22.408 0.000) 22.417 4.418 ( -7.179 15.906 0.000) 17.451 4.447 ( 1.863 11.570 0.000) 11.719 5.037 ( 6.384 5.687 0.000) 8.549 5.441 ( 6.631 -4.847 0.000) 8.213 5.839 ( 6.459 -11.905 0.000) 13.544 7.511 ( -22.324 -10.818 0.000) 24.807 7.521 ( -29.405 -1.593 0.000) 29.448 7.624 ( -11.802 -4.713 0.000) 12.708 8.251 ( -23.333 1.114 0.000) 23.360 8.292 ( -12.076 0.359 0.000) 12.081 8.297 ( -7.431 0.370 0.000) 7.440 9.167 ( -4.915 12.534 0.000) 13.463 9.621 ( -3.251 -13.495 0.000) 13.881 9.910 ( -1.964 -3.598 0.000) 4.099 10.222 ( 9.896 -6.516 0.000) 11.848 10.495 ( 8.548 -13.292 0.000) 15.803 11.053 ( 5.451 -6.126 0.000) 8.200 11.444 ( -3.339 0.502 0.000) 3.377 12.106 ( 23.598 3.105 0.000) 23.802 12.459 ( 9.252 10.686 0.000) 14.135 12.627 ( 9.405 -1.857 0.000) 9.587 12.879 ( -6.468 1.348 0.000) 6.607 13.060 ( -3.745 4.627 0.000) 5.952 14.169 ( 18.975 3.963 0.000) 19.385 14.362 ( 1.690 1.588 0.000) 2.319 15.799 ( -2.329 -4.896 0.000) 5.422 16.138 ( 6.090 -5.264 0.000) 8.049 17.025 ( 7.239 3.295 0.000) 7.953 17.706 ( 6.623 -5.140 0.000) 8.384======================= Grid point 46 (36/219) =======================q-point: (-0.19 0.12 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.004 ( -9.213 26.495 0.000) 28.051 1.052 ( -21.234 19.450 0.000) 28.795 1.521 ( -23.985 31.065 0.000) 39.247 1.695 ( -22.226 -0.408 0.000) 22.230 2.226 ( -2.922 4.082 0.000) 5.020 2.359 ( -11.450 0.195 0.000) 11.451 2.508 ( -6.747 -18.422 0.000) 19.619 2.610 ( -14.925 1.256 0.000) 14.978 2.646 ( -14.596 -2.662 0.000) 14.837 2.801 ( -16.333 1.698 0.000) 16.421 3.526 ( 0.974 -14.001 0.000) 14.035 3.676 ( -0.263 -7.817 0.000) 7.822 3.965 ( 2.750 -23.974 0.000) 24.132 4.223 ( -3.127 18.957 0.000) 19.213 4.423 ( 2.052 10.905 0.000) 11.096 5.096 ( 3.963 8.246 0.000) 9.149 5.567 ( 3.825 -4.558 0.000) 5.951 6.009 ( 4.186 -12.049 0.000) 12.756 6.849 ( -35.055 4.744 0.000) 35.374 6.888 ( -46.037 -15.275 0.000) 48.505 7.579 ( -0.905 -0.260 0.000) 0.941 7.890 ( -13.879 -0.068 0.000) 13.879 8.103 ( -4.276 14.314 0.000) 14.939 8.189 ( -4.002 -0.154 0.000) 4.005 9.078 ( 0.192 5.533 0.000) 5.536 9.655 ( -1.934 -14.996 0.000) 15.121 9.912 ( -0.207 -3.367 0.000) 3.374 10.457 ( 5.391 -20.237 0.000) 20.943 10.843 ( 26.812 2.709 0.000) 26.948 11.162 ( 2.456 -6.878 0.000) 7.303 11.427 ( 0.059 -2.465 0.000) 2.466 12.509 ( 13.801 5.789 0.000) 14.966 12.530 ( 9.680 6.731 0.000) 11.790 12.736 ( -2.078 1.967 0.000) 2.861 12.778 ( 1.365 -0.275 0.000) 1.392 12.988 ( -1.271 5.120 0.000) 5.275 14.289 ( -8.079 -0.887 0.000) 8.127 14.424 ( 9.917 3.233 0.000) 10.430 15.612 ( -18.754 -6.243 0.000) 19.766 16.362 ( 13.525 1.237 0.000) 13.581 17.119 ( 4.235 2.712 0.000) 5.029 17.840 ( 4.211 -5.231 0.000) 6.716======================= Grid point 47 (37/219) =======================q-point: (-0.12 0.12 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 219Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.596 ( -0.000 24.143 0.000) 24.143 0.740 ( -0.000 31.438 0.000) 31.438 1.072 ( -0.000 46.125 0.000) 46.125 1.456 ( -0.000 0.381 0.000) 0.381 2.191 ( -0.000 3.617 0.000) 3.617 2.213 ( -0.000 0.097 0.000) 0.097 2.443 ( -0.000 1.217 0.000) 1.217 2.502 ( 0.000 -1.827 0.000) 1.827 2.612 ( -0.000 2.069 0.000) 2.069 2.622 ( 0.000 -24.234 0.000) 24.234 3.609 ( 0.000 -10.583 0.000) 10.583 3.733 ( 0.000 -11.195 0.000) 11.195 4.068 ( -0.000 17.057 0.000) 17.057 4.152 ( 0.000 -20.913 0.000) 20.913 4.385 ( -0.000 10.634 0.000) 10.634 5.087 ( -0.000 9.844 0.000) 9.844 5.630 ( 0.000 -3.916 0.000) 3.916 6.137 ( 0.000 -10.294 0.000) 10.294 6.216 ( -0.000 9.150 0.000) 9.150 6.420 ( -0.000 9.520 0.000) 9.520 7.573 ( 0.000 -0.573 0.000) 0.573 7.758 ( 0.000 -0.411 0.000) 0.411 7.965 ( -0.000 18.847 0.000) 18.847 8.149 ( -0.000 0.312 0.000) 0.312 9.072 ( -0.000 0.145 0.000) 0.145 9.719 ( 0.000 -13.766 0.000) 13.766 9.930 ( 0.000 -3.006 0.000) 3.006 10.629 ( 0.000 -22.274 0.000) 22.274 11.227 ( 0.000 -6.799 0.000) 6.799 11.281 ( 0.000 -6.734 0.000) 6.734 11.449 ( 0.000 -3.584 0.000) 3.584 12.492 ( -0.000 8.674 0.000) 8.674 12.684 ( -0.000 1.951 0.000) 1.951 12.716 ( -0.000 1.975 0.000) 1.975 12.806 ( -0.000 0.430 0.000) 0.430 12.948 ( -0.000 5.124 0.000) 5.124 14.150 ( -0.000 2.351 0.000) 2.351 14.502 ( -0.000 1.826 0.000) 1.826 15.350 ( -0.000 2.137 0.000) 2.137 16.521 ( 0.000 -0.166 0.000) 0.166 17.145 ( -0.000 2.371 0.000) 2.371 17.911 ( 0.000 -4.807 0.000) 4.807======================= Grid point 52 (38/219) =======================q-point: ( 0.19 0.19 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.239 ( 8.333 0.000 0.000) 8.333 2.296 ( 5.738 0.000 0.000) 5.738 2.771 ( -2.308 -0.000 0.000) 2.308 2.839 ( -2.399 -0.000 0.000) 2.399 3.158 ( 12.409 0.000 0.000) 12.409 3.403 ( -2.025 -0.000 0.000) 2.025 3.417 ( 2.028 0.000 0.000) 2.028 3.544 ( -5.631 -0.000 0.000) 5.631 3.825 ( 1.631 0.000 0.000) 1.631 4.108 ( 1.230 0.000 0.000) 1.230 4.355 ( 10.449 0.000 0.000) 10.449 4.356 ( -10.572 -0.000 0.000) 10.572 4.528 ( -9.085 -0.000 0.000) 9.085 4.632 ( 14.630 0.000 0.000) 14.630 4.963 ( 12.325 0.000 0.000) 12.325 5.477 ( 9.690 0.000 0.000) 9.690 5.576 ( 15.904 0.000 0.000) 15.904 5.590 ( 16.724 0.000 0.000) 16.724 7.300 ( -2.952 -0.000 0.000) 2.952 7.789 ( -2.322 -0.000 0.000) 2.322 9.032 ( 16.259 0.000 0.000) 16.259 9.265 ( -9.786 -0.000 0.000) 9.786 9.570 ( -10.267 -0.000 0.000) 10.267 9.598 ( 17.000 0.000 0.000) 17.000 9.777 ( 18.821 0.000 0.000) 18.821 9.786 ( -6.874 -0.000 0.000) 6.874 10.336 ( 4.943 0.000 0.000) 4.943 10.648 ( 10.418 0.000 0.000) 10.418 10.719 ( 8.827 0.000 0.000) 8.827 10.875 ( 4.270 0.000 0.000) 4.270 11.189 ( 7.775 0.000 0.000) 7.775 11.353 ( -10.116 -0.000 0.000) 10.116 11.585 ( -9.272 -0.000 0.000) 9.272 11.692 ( -18.889 -0.000 0.000) 18.889 12.473 ( -26.756 -0.000 0.000) 26.756 12.767 ( -16.067 -0.000 0.000) 16.067 13.301 ( -0.353 -0.000 0.000) 0.353 13.343 ( 4.103 0.000 0.000) 4.103 15.515 ( -2.151 -0.000 0.000) 2.151 16.272 ( -4.059 -0.000 0.000) 4.059 16.349 ( -3.585 -0.000 0.000) 3.585 17.221 ( -7.036 -0.000 0.000) 7.036======================= Grid point 53 (39/219) =======================q-point: ( 0.25 0.19 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.358 ( 1.420 0.926 0.000) 1.695 2.365 ( 5.272 -0.347 0.000) 5.283 2.734 ( -1.825 -0.327 0.000) 1.854 2.796 ( -2.122 -0.332 0.000) 2.148 3.306 ( 1.420 4.617 0.000) 4.831 3.381 ( -1.497 -2.470 0.000) 2.888 3.398 ( -2.054 1.013 0.000) 2.290 3.490 ( 2.892 -1.341 0.000) 3.188 3.901 ( 6.184 3.076 0.000) 6.907 4.108 ( -5.695 -2.186 0.000) 6.100 4.158 ( -9.222 0.368 0.000) 9.229 4.315 ( -4.876 3.892 0.000) 6.239 4.532 ( 3.768 -8.491 0.000) 9.289 4.863 ( 9.483 -0.283 0.000) 9.488 5.087 ( 2.235 0.124 0.000) 2.239 5.679 ( 12.481 11.389 0.000) 16.896 5.830 ( 10.274 -0.501 0.000) 10.286 5.881 ( 10.917 -9.181 0.000) 14.265 7.285 ( 1.355 -0.727 0.000) 1.537 7.759 ( -0.809 -0.139 0.000) 0.821 8.990 ( -16.033 3.339 0.000) 16.377 9.328 ( 12.444 -2.174 0.000) 12.633 9.334 ( -13.205 1.046 0.000) 13.246 9.677 ( -4.181 0.136 0.000) 4.183 9.880 ( 12.452 1.200 0.000) 12.509 10.143 ( 19.628 -0.457 0.000) 19.633 10.358 ( -0.171 3.044 0.000) 3.049 10.783 ( 3.327 1.906 0.000) 3.834 10.879 ( -6.802 -5.626 0.000) 8.827 10.914 ( 9.336 -1.478 0.000) 9.452 11.171 ( -5.374 2.842 0.000) 6.079 11.318 ( -15.609 6.266 0.000) 16.820 11.401 ( -12.519 -5.446 0.000) 13.652 11.474 ( 18.582 -2.099 0.000) 18.700 12.069 ( -15.097 1.624 0.000) 15.184 12.464 ( -16.344 -0.464 0.000) 16.350 13.269 ( -2.277 1.542 0.000) 2.750 13.388 ( 0.639 -0.974 0.000) 1.165 15.485 ( -0.756 2.067 0.000) 2.201 16.192 ( -4.393 -0.991 0.000) 4.504 16.320 ( 0.301 -0.081 0.000) 0.311 17.108 ( -4.803 -0.180 0.000) 4.806======================= Grid point 54 (40/219) =======================q-point: ( 0.31 0.19 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.356 ( -0.814 0.351 0.000) 0.887 2.449 ( 3.638 -0.271 0.000) 3.648 2.695 ( -1.951 2.543 0.000) 3.205 2.763 ( -1.922 -0.843 0.000) 2.099 3.230 ( -4.306 4.692 0.000) 6.368 3.343 ( -3.380 -1.820 0.000) 3.839 3.377 ( -0.480 -3.903 0.000) 3.932 3.610 ( 5.260 -2.398 0.000) 5.781 3.839 ( -13.474 5.379 0.000) 14.508 4.030 ( 4.083 1.190 0.000) 4.253 4.038 ( -2.634 0.361 0.000) 2.658 4.351 ( 5.484 -1.954 0.000) 5.822 4.608 ( -0.989 -8.647 0.000) 8.704 4.985 ( 3.738 0.919 0.000) 3.849 5.087 ( -1.574 -0.141 0.000) 1.580 5.771 ( 5.203 15.024 0.000) 15.900 5.948 ( 1.576 -0.783 0.000) 1.760 6.074 ( 3.048 -9.739 0.000) 10.205 7.361 ( 6.251 0.158 0.000) 6.253 7.761 ( 0.967 0.003 0.000) 0.967 8.690 ( -13.290 1.522 0.000) 13.377 9.094 ( -11.922 -1.377 0.000) 12.002 9.474 ( 1.588 -1.038 0.000) 1.897 9.617 ( -3.045 -0.752 0.000) 3.137 9.957 ( -4.645 1.200 0.000) 4.798 10.330 ( -2.424 0.081 0.000) 2.425 10.486 ( 13.606 0.813 0.000) 13.631 10.693 ( -10.452 0.765 0.000) 10.480 10.814 ( -0.578 -3.120 0.000) 3.173 10.909 ( -10.608 0.069 0.000) 10.608 11.124 ( 3.222 0.619 0.000) 3.281 11.145 ( -1.575 0.102 0.000) 1.578 11.326 ( 5.650 -0.809 0.000) 5.708 11.800 ( 8.747 -0.786 0.000) 8.782 11.890 ( -3.492 1.591 0.000) 3.837 12.216 ( -4.382 -0.490 0.000) 4.409 13.213 ( -1.972 2.627 0.000) 3.285 13.387 ( -1.563 -2.243 0.000) 2.734 15.456 ( -0.016 5.189 0.000) 5.189 16.126 ( -4.268 -4.060 0.000) 5.891 16.355 ( 3.561 1.050 0.000) 3.713 17.052 ( -1.503 -1.027 0.000) 1.820======================= Grid point 55 (41/219) =======================q-point: (-0.62 0.19 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.337 ( -1.510 -2.503 0.000) 2.923 2.502 ( 1.963 1.169 0.000) 2.285 2.629 ( -2.364 6.068 0.000) 6.512 2.731 ( -2.129 -1.381 0.000) 2.538 3.126 ( -4.127 2.918 0.000) 5.055 3.276 ( -5.302 -3.552 0.000) 6.382 3.421 ( -0.268 -10.043 0.000) 10.047 3.546 ( -13.156 3.854 0.000) 13.709 3.673 ( 0.562 -0.205 0.000) 0.598 4.063 ( 4.849 -0.050 0.000) 4.849 4.092 ( 3.409 4.609 0.000) 5.732 4.476 ( 5.949 -0.714 0.000) 5.992 4.602 ( -4.663 -10.000 0.000) 11.034 5.000 ( -0.891 1.899 0.000) 2.098 5.045 ( -3.151 -0.532 0.000) 3.196 5.708 ( -2.355 15.346 0.000) 15.526 5.891 ( -7.962 -0.133 0.000) 7.964 6.090 ( -6.354 -6.453 0.000) 9.057 7.494 ( 8.028 2.417 0.000) 8.384 7.793 ( 2.488 0.325 0.000) 2.509 8.496 ( -7.878 -3.412 0.000) 8.585 8.914 ( -9.208 -5.559 0.000) 10.756 9.397 ( -11.738 -4.877 0.000) 12.711 9.551 ( -2.770 2.371 0.000) 3.646 9.804 ( -8.508 -0.074 0.000) 8.508 10.264 ( -3.688 0.802 0.000) 3.774 10.307 ( -18.737 1.481 0.000) 18.795 10.618 ( -11.779 1.334 0.000) 11.855 10.733 ( -10.335 -4.024 0.000) 11.091 10.816 ( 2.442 -4.216 0.000) 4.872 11.195 ( 9.716 2.512 0.000) 10.036 11.401 ( 23.151 0.908 0.000) 23.169 11.506 ( 10.090 -1.626 0.000) 10.220 11.646 ( -16.569 0.231 0.000) 16.571 11.905 ( 6.127 1.102 0.000) 6.225 12.469 ( 22.714 -1.158 0.000) 22.744 13.182 ( 0.104 1.335 0.000) 1.339 13.357 ( -3.063 -2.239 0.000) 3.794 15.435 ( 1.437 5.654 0.000) 5.833 16.068 ( -5.353 -6.119 0.000) 8.130 16.437 ( 6.143 2.438 0.000) 6.609 17.060 ( 1.358 -1.730 0.000) 2.200======================= Grid point 56 (42/219) =======================q-point: (-0.56 0.19 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.334 ( -1.570 -6.420 0.000) 6.609 2.490 ( -1.715 5.406 0.000) 5.672 2.542 ( -2.830 6.782 0.000) 7.349 2.703 ( -2.152 -2.750 0.000) 3.491 3.047 ( -3.399 -0.319 0.000) 3.413 3.200 ( -4.826 -5.223 0.000) 7.112 3.256 ( -12.591 2.979 0.000) 12.938 3.516 ( -0.505 -13.194 0.000) 13.204 3.637 ( -4.283 0.887 0.000) 4.374 4.087 ( -1.148 5.935 0.000) 6.045 4.182 ( 6.862 0.742 0.000) 6.902 4.498 ( -5.087 -4.278 0.000) 6.646 4.629 ( 3.384 -4.169 0.000) 5.369 4.954 ( -1.972 1.894 0.000) 2.734 4.956 ( -7.224 0.079 0.000) 7.225 5.529 ( -6.901 13.852 0.000) 15.476 5.654 ( -16.681 1.295 0.000) 16.731 5.915 ( -14.549 -2.477 0.000) 14.759 7.608 ( 5.620 4.564 0.000) 7.240 7.845 ( 3.203 0.812 0.000) 3.305 8.420 ( -5.074 -9.892 0.000) 11.118 8.812 ( -6.609 -9.872 0.000) 11.880 9.150 ( -15.816 -5.734 0.000) 16.823 9.489 ( -2.192 4.261 0.000) 4.792 9.658 ( -7.725 -0.808 0.000) 7.767 9.963 ( -16.846 -0.730 0.000) 16.862 10.193 ( -3.553 1.287 0.000) 3.779 10.366 ( -13.473 -1.240 0.000) 13.530 10.533 ( -13.554 -6.768 0.000) 15.150 10.813 ( -2.720 0.323 0.000) 2.739 11.341 ( -13.810 -1.984 0.000) 13.951 11.455 ( 16.893 1.760 0.000) 16.985 11.687 ( 7.333 -3.170 0.000) 7.989 11.799 ( 17.244 5.492 0.000) 18.097 12.166 ( 23.176 -1.366 0.000) 23.216 12.940 ( 26.478 0.233 0.000) 26.479 13.199 ( 1.236 -1.139 0.000) 1.680 13.298 ( -3.933 -0.930 0.000) 4.041 15.456 ( 3.424 2.829 0.000) 4.441 15.988 ( -7.102 -7.009 0.000) 9.978 16.553 ( 7.917 3.424 0.000) 8.626 17.115 ( 3.172 -2.206 0.000) 3.863======================= Grid point 57 (43/219) =======================q-point: (-0.50 0.19 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.339 ( -3.025 -8.130 0.000) 8.674 2.376 ( -5.840 8.980 0.000) 10.712 2.446 ( -3.971 5.016 0.000) 6.398 2.657 ( -4.550 -0.702 0.000) 4.604 3.010 ( -1.799 -4.756 0.000) 5.085 3.029 ( -9.536 1.760 0.000) 9.697 3.170 ( -1.949 -6.611 0.000) 6.892 3.490 ( -11.672 -0.734 0.000) 11.695 3.535 ( -6.836 -13.955 0.000) 15.539 3.973 ( -7.866 4.088 0.000) 8.865 4.272 ( 3.173 4.140 0.000) 5.216 4.394 ( -7.985 0.204 0.000) 7.988 4.692 ( -2.052 -1.889 0.000) 2.789 4.750 ( -11.270 2.931 0.000) 11.644 4.942 ( 2.151 0.408 0.000) 2.189 5.271 ( -22.033 2.419 0.000) 22.165 5.342 ( -5.211 8.104 0.000) 9.635 5.605 ( -17.379 0.479 0.000) 17.385 7.645 ( 1.488 5.074 0.000) 5.287 7.895 ( 2.513 1.438 0.000) 2.895 8.368 ( -9.290 -13.774 0.000) 16.614 8.757 ( -6.980 -12.122 0.000) 13.988 8.911 ( -11.688 -1.933 0.000) 11.847 9.434 ( -2.797 2.505 0.000) 3.755 9.507 ( -7.749 -3.026 0.000) 8.319 9.705 ( -11.585 -3.541 0.000) 12.114 10.069 ( -10.937 0.061 0.000) 10.937 10.144 ( -10.952 -2.031 0.000) 11.139 10.335 ( -10.609 -7.780 0.000) 13.156 10.762 ( -1.016 2.393 0.000) 2.600 11.215 ( -0.646 -5.405 0.000) 5.443 11.753 ( 11.422 -2.889 0.000) 11.782 11.807 ( 6.574 0.038 0.000) 6.574 12.035 ( 14.154 9.129 0.000) 16.843 12.704 ( 30.720 -1.115 0.000) 30.740 13.177 ( -4.663 0.070 0.000) 4.664 13.269 ( 0.580 -1.571 0.000) 1.674 13.444 ( 27.764 2.688 0.000) 27.894 15.521 ( 3.609 -0.333 0.000) 3.625 15.899 ( -6.340 -9.120 0.000) 11.107 16.687 ( 8.499 4.231 0.000) 9.494 17.204 ( 4.750 -3.160 0.000) 5.706======================= Grid point 58 (44/219) =======================q-point: (-0.44 0.19 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.173 ( -9.248 12.036 0.000) 15.179 2.290 ( -6.922 -7.430 0.000) 10.155 2.312 ( -7.622 7.400 0.000) 10.623 2.542 ( -6.683 2.375 0.000) 7.092 2.900 ( -5.369 -4.593 0.000) 7.066 3.027 ( -1.018 -8.349 0.000) 8.411 3.171 ( -9.819 -2.039 0.000) 10.028 3.229 ( -9.606 -8.253 0.000) 12.664 3.406 ( -14.390 -13.745 0.000) 19.900 3.748 ( -14.453 1.943 0.000) 14.583 4.133 ( -17.665 11.064 0.000) 20.844 4.211 ( -8.241 5.784 0.000) 10.068 4.347 ( -22.800 3.446 0.000) 23.059 4.763 ( 2.757 -3.309 0.000) 4.307 4.846 ( -15.667 7.425 0.000) 17.338 5.052 ( 5.679 -4.785 0.000) 7.426 5.144 ( -12.859 7.743 0.000) 15.010 5.430 ( 0.355 -3.848 0.000) 3.865 7.624 ( -0.540 3.525 0.000) 3.566 7.914 ( 0.201 1.691 0.000) 1.703 8.194 ( -17.204 -12.821 0.000) 21.456 8.648 ( -12.461 -11.507 0.000) 16.962 8.713 ( -9.813 3.256 0.000) 10.339 9.189 ( -18.672 1.761 0.000) 18.755 9.563 ( -6.466 -3.314 0.000) 7.266 9.569 ( 5.470 -7.683 0.000) 9.432 9.823 ( -12.506 -5.419 0.000) 13.630 9.988 ( -6.971 -2.624 0.000) 7.448 10.220 ( -7.908 -10.142 0.000) 12.861 10.767 ( 2.896 1.080 0.000) 3.091 11.373 ( 13.448 -3.792 0.000) 13.973 11.757 ( -5.950 -0.822 0.000) 6.007 12.073 ( 15.318 -1.135 0.000) 15.360 12.246 ( 14.355 10.951 0.000) 18.055 13.082 ( -4.215 1.716 0.000) 4.551 13.272 ( -1.859 -1.017 0.000) 2.120 13.282 ( 30.163 0.919 0.000) 30.177 13.927 ( 24.976 4.816 0.000) 25.436 15.575 ( 1.797 -2.074 0.000) 2.744 15.886 ( -1.594 -12.140 0.000) 12.244 16.820 ( 8.293 4.682 0.000) 9.523 17.330 ( 6.346 -4.401 0.000) 7.723======================= Grid point 59 (45/219) =======================q-point: (-0.38 0.19 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.899 ( -11.113 15.979 0.000) 19.464 2.059 ( -13.053 11.082 0.000) 17.123 2.190 ( -7.934 -7.208 0.000) 10.719 2.389 ( -7.993 3.877 0.000) 8.883 2.781 ( -21.985 -4.342 0.000) 22.410 2.781 ( -16.269 -4.487 0.000) 16.877 3.057 ( -1.862 -6.421 0.000) 6.686 3.242 ( -10.964 -15.931 0.000) 19.339 3.259 ( -0.699 -9.334 0.000) 9.360 3.406 ( -20.618 0.705 0.000) 20.630 3.637 ( -24.298 14.471 0.000) 28.280 3.868 ( -25.586 2.672 0.000) 25.725 3.887 ( -20.933 0.871 0.000) 20.951 4.634 ( -2.333 10.153 0.000) 10.417 4.767 ( -6.398 3.931 0.000) 7.509 4.972 ( 2.865 3.773 0.000) 4.738 5.215 ( 7.723 -5.161 0.000) 9.288 5.538 ( 5.437 -8.698 0.000) 10.258 7.595 ( -1.278 1.322 0.000) 1.839 7.855 ( -7.134 1.865 0.000) 7.374 7.882 ( -22.851 -10.400 0.000) 25.107 8.428 ( -16.635 -11.266 0.000) 20.091 8.500 ( -10.512 3.316 0.000) 11.023 8.755 ( -25.418 2.262 0.000) 25.518 9.459 ( -4.893 4.554 0.000) 6.685 9.538 ( -8.973 -8.156 0.000) 12.126 9.908 ( -3.679 -2.869 0.000) 4.666 9.914 ( 11.249 -10.296 0.000) 15.250 10.162 ( -4.322 -15.146 0.000) 15.750 10.855 ( 5.468 -2.945 0.000) 6.211 11.603 ( -8.337 2.820 0.000) 8.801 11.718 ( 21.452 0.660 0.000) 21.462 12.358 ( 13.636 -2.833 0.000) 13.927 12.438 ( 12.499 10.876 0.000) 16.568 13.001 ( -3.788 1.905 0.000) 4.239 13.205 ( -4.696 1.523 0.000) 4.936 13.805 ( 26.453 3.237 0.000) 26.650 14.276 ( 13.844 4.449 0.000) 14.542 15.658 ( 5.841 -3.488 0.000) 6.804 15.945 ( 0.120 -11.591 0.000) 11.592 16.946 ( 7.938 4.297 0.000) 9.026 17.485 ( 7.060 -5.143 0.000) 8.735======================= Grid point 60 (46/219) =======================q-point: (-0.31 0.19 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.591 ( -10.081 20.650 0.000) 22.979 1.706 ( -16.911 14.570 0.000) 22.322 2.075 ( -10.144 -8.423 0.000) 13.185 2.130 ( -20.658 1.263 0.000) 20.696 2.409 ( -12.536 0.259 0.000) 12.539 2.467 ( -16.799 1.635 0.000) 16.879 2.911 ( -24.703 9.660 0.000) 26.525 2.949 ( -13.774 1.035 0.000) 13.813 3.000 ( -22.750 1.892 0.000) 22.829 3.230 ( -20.756 2.508 0.000) 20.907 3.281 ( -2.429 -13.392 0.000) 13.610 3.539 ( -6.200 -19.636 0.000) 20.592 3.604 ( -8.081 -6.928 0.000) 10.644 4.576 ( 1.570 11.073 0.000) 11.184 4.592 ( -4.683 14.168 0.000) 14.922 5.072 ( 6.073 0.219 0.000) 6.077 5.381 ( 6.397 -5.505 0.000) 8.440 5.701 ( 5.311 -11.830 0.000) 12.968 7.396 ( -28.806 -7.455 0.000) 29.755 7.528 ( -27.111 2.542 0.000) 27.230 7.607 ( -3.136 -0.329 0.000) 3.153 8.243 ( -7.749 -8.047 0.000) 11.172 8.263 ( -23.786 0.898 0.000) 23.803 8.305 ( -8.915 1.001 0.000) 8.971 9.330 ( -2.626 14.796 0.000) 15.027 9.464 ( -5.583 -13.466 0.000) 14.577 9.872 ( -1.850 -2.970 0.000) 3.499 10.082 ( -0.257 -16.275 0.000) 16.277 10.372 ( 18.270 -8.991 0.000) 20.363 10.980 ( 4.324 -6.349 0.000) 7.681 11.463 ( -4.131 2.967 0.000) 5.086 12.144 ( 24.437 3.396 0.000) 24.672 12.577 ( 8.322 9.871 0.000) 12.911 12.602 ( 10.330 -2.535 0.000) 10.636 12.896 ( -6.376 1.711 0.000) 6.601 13.109 ( -3.183 3.884 0.000) 5.022 14.218 ( 19.339 4.467 0.000) 19.849 14.381 ( -0.087 1.765 0.000) 1.767 15.731 ( -5.171 -6.737 0.000) 8.493 16.085 ( 12.073 -4.125 0.000) 12.758 17.064 ( 6.804 3.467 0.000) 7.636 17.644 ( 6.346 -5.514 0.000) 8.407======================= Grid point 61 (47/219) =======================q-point: (-0.25 0.19 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.245 ( -22.684 14.685 0.000) 27.022 1.305 ( -5.753 25.836 0.000) 26.469 1.693 ( -21.446 0.130 0.000) 21.447 1.850 ( -8.760 20.801 0.000) 22.570 2.272 ( -2.556 4.005 0.000) 4.751 2.290 ( -3.477 -8.682 0.000) 9.352 2.426 ( -19.075 6.243 0.000) 20.070 2.627 ( -15.369 -1.098 0.000) 15.408 2.629 ( -15.113 2.077 0.000) 15.255 2.824 ( -17.168 2.309 0.000) 17.323 3.347 ( -0.196 -16.606 0.000) 16.607 3.589 ( -0.632 -8.060 0.000) 8.084 3.669 ( 1.383 -27.171 0.000) 27.206 4.438 ( -1.980 18.131 0.000) 18.239 4.546 ( 1.589 10.724 0.000) 10.841 5.160 ( 3.829 2.719 0.000) 4.697 5.510 ( 3.753 -5.479 0.000) 6.641 5.863 ( 4.158 -13.323 0.000) 13.957 6.805 ( -34.132 -0.973 0.000) 34.145 6.925 ( -28.999 8.224 0.000) 30.143 7.575 ( -1.334 -0.418 0.000) 1.398 7.889 ( -14.428 -0.135 0.000) 14.429 8.186 ( -4.109 -0.558 0.000) 4.147 8.187 ( -2.177 -0.179 0.000) 2.184 9.208 ( -0.349 17.014 0.000) 17.018 9.470 ( -3.075 -16.822 0.000) 17.101 9.874 ( -0.063 -3.202 0.000) 3.203 10.197 ( 0.328 -23.932 0.000) 23.934 10.835 ( 25.472 -3.631 0.000) 25.730 11.076 ( 1.467 -8.136 0.000) 8.267 11.413 ( -0.636 0.411 0.000) 0.758 12.551 ( 19.172 3.197 0.000) 19.437 12.629 ( 2.853 8.839 0.000) 9.288 12.755 ( 2.432 0.709 0.000) 2.533 12.775 ( -2.201 0.260 0.000) 2.217 13.045 ( -1.161 4.793 0.000) 4.931 14.292 ( -7.118 1.091 0.000) 7.202 14.465 ( 9.115 3.711 0.000) 9.841 15.555 ( -14.493 -4.058 0.000) 15.050 16.367 ( 13.724 -0.282 0.000) 13.727 17.151 ( 4.079 2.893 0.000) 5.001 17.776 ( 3.937 -5.867 0.000) 7.065======================= Grid point 62 (48/219) =======================q-point: (-0.19 0.19 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.854 ( -0.000 20.804 0.000) 20.804 1.090 ( -0.000 29.879 0.000) 29.879 1.461 ( -0.000 0.387 0.000) 0.387 1.580 ( -0.000 41.592 0.000) 41.592 2.214 ( -0.000 0.114 0.000) 0.114 2.236 ( -0.000 4.090 0.000) 4.090 2.359 ( 0.000 -19.815 0.000) 19.815 2.459 ( -0.000 1.510 0.000) 1.510 2.482 ( 0.000 -1.598 0.000) 1.598 2.636 ( -0.000 1.999 0.000) 1.999 3.444 ( 0.000 -16.793 0.000) 16.793 3.632 ( 0.000 -7.803 0.000) 7.803 3.845 ( 0.000 -27.454 0.000) 27.454 4.310 ( -0.000 19.874 0.000) 19.874 4.504 ( -0.000 10.303 0.000) 10.303 5.175 ( -0.000 5.355 0.000) 5.355 5.577 ( 0.000 -5.148 0.000) 5.148 5.998 ( 0.000 -13.782 0.000) 13.782 6.340 ( -0.000 12.263 0.000) 12.263 6.548 ( -0.000 12.570 0.000) 12.570 7.565 ( 0.000 -0.767 0.000) 0.767 7.752 ( 0.000 -0.567 0.000) 0.567 8.140 ( -0.000 9.215 0.000) 9.215 8.150 ( 0.000 -0.252 0.000) 0.252 9.126 ( -0.000 10.889 0.000) 10.889 9.540 ( 0.000 -17.228 0.000) 17.228 9.894 ( 0.000 -3.199 0.000) 3.199 10.348 ( 0.000 -26.041 0.000) 26.041 11.137 ( 0.000 -8.689 0.000) 8.689 11.192 ( 0.000 -8.626 0.000) 8.626 11.415 ( 0.000 -1.863 0.000) 1.863 12.594 ( -0.000 8.825 0.000) 8.825 12.708 ( -0.000 2.144 0.000) 2.144 12.740 ( -0.000 2.191 0.000) 2.191 12.811 ( -0.000 0.268 0.000) 0.268 13.007 ( -0.000 5.083 0.000) 5.083 14.182 ( -0.000 3.139 0.000) 3.139 14.527 ( -0.000 2.458 0.000) 2.458 15.375 ( -0.000 2.139 0.000) 2.139 16.516 ( 0.000 -0.641 0.000) 0.641 17.175 ( -0.000 2.756 0.000) 2.756 17.848 ( 0.000 -5.928 0.000) 5.928======================= Grid point 69 (49/219) =======================q-point: ( 0.25 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 219Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.358 ( -1.456 -0.000 0.000) 1.456 2.447 ( 3.801 0.000 0.000) 3.801 2.710 ( -0.821 -0.000 0.000) 0.821 2.758 ( -1.922 -0.000 0.000) 1.922 3.266 ( -4.818 -0.000 0.000) 4.818 3.324 ( -3.923 -0.000 0.000) 3.923 3.355 ( -2.193 -0.000 0.000) 2.193 3.596 ( 5.961 0.000 0.000) 5.961 3.876 ( -15.584 -0.000 0.000) 15.584 4.033 ( 6.216 0.000 0.000) 6.216 4.040 ( -2.680 -0.000 0.000) 2.680 4.339 ( 5.419 0.000 0.000) 5.419 4.557 ( 0.030 0.000 0.000) 0.030 4.991 ( 4.005 0.000 0.000) 4.005 5.086 ( -1.710 -0.000 0.000) 1.710 5.901 ( 5.872 0.000 0.000) 5.872 5.943 ( 1.707 0.000 0.000) 1.707 5.973 ( 2.644 0.000 0.000) 2.644 7.361 ( 6.777 0.000 0.000) 6.777 7.761 ( 1.046 0.000 0.000) 1.046 8.699 ( -14.538 -0.000 0.000) 14.538 9.086 ( -12.839 -0.000 0.000) 12.839 9.467 ( 1.307 0.000 0.000) 1.307 9.614 ( -2.616 -0.000 0.000) 2.616 9.964 ( -5.362 -0.000 0.000) 5.362 10.331 ( -2.800 -0.000 0.000) 2.800 10.490 ( 14.751 0.000 0.000) 14.751 10.698 ( -11.546 -0.000 0.000) 11.546 10.796 ( 0.469 0.000 0.000) 0.469 10.910 ( -11.023 -0.000 0.000) 11.023 11.128 ( 2.728 0.000 0.000) 2.728 11.145 ( -2.521 -0.000 0.000) 2.521 11.321 ( 6.620 0.000 0.000) 6.620 11.795 ( 9.542 0.000 0.000) 9.542 11.900 ( -3.770 -0.000 0.000) 3.770 12.212 ( -4.793 -0.000 0.000) 4.793 13.230 ( -2.219 -0.000 0.000) 2.219 13.372 ( -1.609 -0.000 0.000) 1.609 15.489 ( 0.230 0.000 0.000) 0.230 16.100 ( -4.850 -0.000 0.000) 4.850 16.361 ( 3.894 0.000 0.000) 3.894 17.045 ( -1.667 -0.000 0.000) 1.667======================= Grid point 70 (50/219) =======================q-point: (-0.69 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.316 ( -2.939 -1.001 0.000) 3.105 2.510 ( 2.879 0.295 0.000) 2.894 2.687 ( -1.127 3.151 0.000) 3.346 2.721 ( -2.253 -0.419 0.000) 2.291 3.165 ( -4.732 3.427 0.000) 5.843 3.232 ( -6.478 -3.596 0.000) 7.409 3.334 ( -1.269 -4.384 0.000) 4.564 3.581 ( -14.475 1.775 0.000) 14.583 3.670 ( 1.501 -0.143 0.000) 1.507 4.064 ( 4.810 0.068 0.000) 4.811 4.128 ( 3.901 1.588 0.000) 4.212 4.465 ( 6.785 -0.782 0.000) 6.830 4.525 ( -3.982 -3.297 0.000) 5.169 5.015 ( -0.894 0.691 0.000) 1.130 5.041 ( -3.091 -0.188 0.000) 3.097 5.868 ( -3.429 12.506 0.000) 12.968 5.890 ( -7.486 -0.096 0.000) 7.486 5.998 ( -5.014 -9.492 0.000) 10.735 7.513 ( 8.774 0.867 0.000) 8.817 7.796 ( 2.603 0.112 0.000) 2.606 8.470 ( -9.976 -1.113 0.000) 10.038 8.870 ( -10.431 -2.001 0.000) 10.621 9.357 ( -12.554 -1.870 0.000) 12.692 9.573 ( -1.599 1.115 0.000) 1.950 9.801 ( -8.885 -0.221 0.000) 8.888 10.271 ( -3.343 0.343 0.000) 3.361 10.318 ( -19.718 0.424 0.000) 19.722 10.634 ( -14.843 1.142 0.000) 14.887 10.701 ( -11.043 -1.473 0.000) 11.141 10.778 ( 5.966 -2.010 0.000) 6.295 11.216 ( 10.301 1.048 0.000) 10.354 11.407 ( 23.965 0.208 0.000) 23.966 11.491 ( 9.215 -0.760 0.000) 9.246 11.648 ( -17.148 0.016 0.000) 17.148 11.916 ( 5.726 0.568 0.000) 5.755 12.458 ( 23.032 -0.527 0.000) 23.038 13.195 ( -1.014 0.762 0.000) 1.269 13.337 ( -2.473 -1.060 0.000) 2.690 15.488 ( 0.641 2.828 0.000) 2.900 16.013 ( -5.537 -2.909 0.000) 6.255 16.457 ( 6.411 0.962 0.000) 6.483 17.045 ( 1.295 -0.715 0.000) 1.479======================= Grid point 71 (51/219) =======================q-point: (-0.62 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 390Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.270 ( -3.317 -4.116 0.000) 5.287 2.541 ( 0.816 3.278 0.000) 3.378 2.624 ( -2.642 6.361 0.000) 6.888 2.678 ( -2.624 -1.556 0.000) 3.051 3.055 ( -5.190 1.709 0.000) 5.465 3.142 ( -5.328 -4.886 0.000) 7.229 3.285 ( -9.937 1.665 0.000) 10.075 3.388 ( -3.450 -8.361 0.000) 9.044 3.643 ( -4.696 0.211 0.000) 4.701 4.132 ( -3.188 1.963 0.000) 3.744 4.192 ( 8.123 0.795 0.000) 8.162 4.460 ( -3.196 -1.753 0.000) 3.645 4.594 ( 5.178 -2.346 0.000) 5.685 4.958 ( -6.447 0.174 0.000) 6.449 4.969 ( -2.809 0.806 0.000) 2.922 5.666 ( -15.975 0.718 0.000) 15.991 5.673 ( -9.257 11.373 0.000) 14.664 5.870 ( -12.951 -5.458 0.000) 14.054 7.649 ( 5.988 2.517 0.000) 6.495 7.853 ( 3.461 0.458 0.000) 3.491 8.333 ( -7.057 -5.220 0.000) 8.778 8.724 ( -7.473 -5.387 0.000) 9.212 9.097 ( -14.751 -3.273 0.000) 15.110 9.531 ( -2.126 2.934 0.000) 3.623 9.648 ( -8.176 -0.865 0.000) 8.221 9.953 ( -18.358 -0.796 0.000) 18.375 10.206 ( -3.378 0.978 0.000) 3.517 10.359 ( -13.720 -0.229 0.000) 13.722 10.470 ( -14.140 -3.962 0.000) 14.684 10.814 ( -1.101 -0.003 0.000) 1.101 11.323 ( -15.569 -1.161 0.000) 15.613 11.479 ( 16.628 2.221 0.000) 16.775 11.651 ( 6.627 -2.853 0.000) 7.215 11.845 ( 19.339 2.614 0.000) 19.515 12.157 ( 22.336 -0.339 0.000) 22.339 12.939 ( 27.275 -0.196 0.000) 27.276 13.189 ( 0.255 -0.598 0.000) 0.650 13.290 ( -2.999 -0.520 0.000) 3.044 15.491 ( 1.665 2.815 0.000) 3.271 15.917 ( -7.183 -4.945 0.000) 8.721 16.585 ( 8.003 1.996 0.000) 8.248 17.094 ( 3.058 -1.359 0.000) 3.346======================= Grid point 72 (52/219) =======================q-point: (-0.56 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.240 ( -3.754 -7.609 0.000) 8.485 2.477 ( -4.001 8.459 0.000) 9.358 2.520 ( -4.410 6.303 0.000) 7.693 2.646 ( -2.441 -1.431 0.000) 2.829 2.964 ( -4.472 -3.138 0.000) 5.463 3.071 ( -9.175 5.357 0.000) 10.624 3.097 ( -2.555 -5.795 0.000) 6.333 3.382 ( -6.199 -12.609 0.000) 14.050 3.482 ( -12.810 -0.698 0.000) 12.829 3.988 ( -11.024 -0.891 0.000) 11.060 4.319 ( 5.401 3.744 0.000) 6.572 4.416 ( -2.220 3.357 0.000) 4.024 4.664 ( -1.567 -2.738 0.000) 3.155 4.777 ( -11.028 1.817 0.000) 11.176 4.935 ( -0.038 -1.245 0.000) 1.246 5.300 ( -21.203 2.315 0.000) 21.329 5.431 ( -9.485 7.180 0.000) 11.896 5.601 ( -16.422 -1.177 0.000) 16.464 7.695 ( 0.912 3.627 0.000) 3.740 7.911 ( 2.900 1.240 0.000) 3.154 8.235 ( -8.948 -9.311 0.000) 12.914 8.638 ( -6.609 -8.361 0.000) 10.658 8.886 ( -9.159 -2.254 0.000) 9.432 9.460 ( -3.395 1.788 0.000) 3.837 9.483 ( -10.316 -1.072 0.000) 10.372 9.664 ( -13.028 -3.246 0.000) 13.426 10.079 ( -11.631 1.676 0.000) 11.751 10.130 ( -10.753 -0.582 0.000) 10.769 10.251 ( -11.214 -6.665 0.000) 13.045 10.785 ( -0.781 1.620 0.000) 1.799 11.162 ( -0.959 -3.769 0.000) 3.889 11.724 ( 5.221 -1.977 0.000) 5.583 11.809 ( 12.829 0.161 0.000) 12.830 12.120 ( 14.758 5.821 0.000) 15.865 12.696 ( 31.773 -0.346 0.000) 31.775 13.181 ( -2.494 0.553 0.000) 2.555 13.250 ( -0.746 -1.628 0.000) 1.791 13.467 ( 28.830 1.384 0.000) 28.863 15.522 ( 2.366 0.423 0.000) 2.404 15.807 ( -7.458 -6.828 0.000) 10.112 16.728 ( 8.577 2.869 0.000) 9.044 17.173 ( 4.298 -2.223 0.000) 4.838======================= Grid point 73 (53/219) =======================q-point: (-0.50 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 390Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.193 ( -6.666 -7.779 0.000) 10.244 2.311 ( -7.226 11.816 0.000) 13.851 2.391 ( -6.152 4.933 0.000) 7.885 2.575 ( -4.594 3.089 0.000) 5.536 2.897 ( -6.381 3.626 0.000) 7.339 2.930 ( -3.126 -8.040 0.000) 8.627 3.111 ( -0.562 -8.039 0.000) 8.059 3.174 ( -19.976 -1.927 0.000) 20.069 3.258 ( -14.363 -11.861 0.000) 18.628 3.746 ( -15.792 -1.872 0.000) 15.903 4.263 ( -12.288 11.298 0.000) 16.692 4.278 ( -9.318 5.728 0.000) 10.938 4.382 ( -22.145 2.591 0.000) 22.296 4.713 ( -1.030 -5.371 0.000) 5.469 4.910 ( -14.359 3.315 0.000) 14.737 5.006 ( 4.956 -2.638 0.000) 5.614 5.224 ( -10.824 6.005 0.000) 12.378 5.391 ( -3.124 -2.875 0.000) 4.246 7.661 ( -1.797 2.953 0.000) 3.457 7.935 ( 0.402 1.916 0.000) 1.957 8.067 ( -14.994 -9.400 0.000) 17.697 8.529 ( -11.420 -9.087 0.000) 14.594 8.742 ( -8.144 1.764 0.000) 8.333 9.209 ( -18.060 1.691 0.000) 18.139 9.484 ( 3.845 -7.045 0.000) 8.025 9.516 ( -5.280 -4.529 0.000) 6.956 9.788 ( -15.576 -0.586 0.000) 15.587 9.968 ( -6.850 -0.943 0.000) 6.914 10.104 ( -10.311 -10.075 0.000) 14.416 10.782 ( 1.551 1.359 0.000) 2.062 11.337 ( 16.032 -2.542 0.000) 16.232 11.740 ( -3.514 -1.831 0.000) 3.962 12.071 ( 14.233 0.611 0.000) 14.247 12.354 ( 14.137 7.896 0.000) 16.193 13.106 ( -3.601 2.510 0.000) 4.390 13.253 ( -1.245 -2.235 0.000) 2.558 13.295 ( 31.613 1.294 0.000) 31.640 13.974 ( 25.447 3.453 0.000) 25.680 15.555 ( 0.961 -1.285 0.000) 1.605 15.757 ( -2.317 -10.178 0.000) 10.439 16.868 ( 8.174 3.668 0.000) 8.959 17.284 ( 5.866 -3.562 0.000) 6.863======================= Grid point 74 (54/219) =======================q-point: (-0.44 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.067 ( -10.590 -5.191 0.000) 11.793 2.080 ( -8.699 15.569 0.000) 17.834 2.210 ( -10.188 6.076 0.000) 11.862 2.448 ( -6.579 6.116 0.000) 8.983 2.725 ( -24.206 -4.975 0.000) 24.712 2.766 ( -8.733 1.855 0.000) 8.928 2.969 ( -2.631 -9.247 0.000) 9.614 3.050 ( -12.704 -16.357 0.000) 20.711 3.159 ( -0.303 -8.062 0.000) 8.067 3.405 ( -21.202 -0.775 0.000) 21.216 3.812 ( -24.600 14.244 0.000) 28.427 3.902 ( -24.772 1.671 0.000) 24.828 3.913 ( -25.756 6.070 0.000) 26.462 4.742 ( -1.196 8.848 0.000) 8.928 4.751 ( -0.020 -6.579 0.000) 6.579 5.034 ( -3.339 6.997 0.000) 7.753 5.155 ( 7.214 -5.400 0.000) 9.012 5.448 ( 3.905 -7.024 0.000) 8.036 7.609 ( -2.947 1.193 0.000) 3.179 7.785 ( -19.421 -6.863 0.000) 20.598 7.883 ( -6.136 2.737 0.000) 6.719 8.306 ( -16.809 -9.854 0.000) 19.485 8.535 ( -11.865 2.702 0.000) 12.169 8.781 ( -25.554 2.286 0.000) 25.657 9.463 ( -10.856 -4.523 0.000) 11.760 9.488 ( 0.062 0.652 0.000) 0.655 9.788 ( 11.281 -11.389 0.000) 16.031 9.882 ( -3.457 -1.623 0.000) 3.819 9.998 ( -5.937 -13.380 0.000) 14.639 10.830 ( 3.363 -1.532 0.000) 3.695 11.637 ( -6.099 3.082 0.000) 6.833 11.727 ( 23.797 0.951 0.000) 23.816 12.330 ( 12.828 -2.093 0.000) 12.997 12.551 ( 11.582 8.617 0.000) 14.436 13.025 ( -3.993 2.175 0.000) 4.547 13.215 ( -3.266 0.212 0.000) 3.273 13.843 ( 27.575 3.243 0.000) 27.765 14.323 ( 12.521 3.644 0.000) 13.041 15.618 ( 4.341 -3.562 0.000) 5.615 15.820 ( 2.981 -9.964 0.000) 10.400 16.993 ( 7.453 3.792 0.000) 8.362 17.429 ( 6.867 -4.603 0.000) 8.267======================= Grid point 75 (55/219) =======================q-point: (-0.38 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 390Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.821 ( -7.922 19.331 0.000) 20.891 1.821 ( -17.529 5.083 0.000) 18.251 1.989 ( -10.049 -4.229 0.000) 10.902 2.149 ( -23.506 1.755 0.000) 23.572 2.416 ( -7.542 1.517 0.000) 7.693 2.514 ( -13.070 5.513 0.000) 14.185 2.943 ( -8.415 -3.302 0.000) 9.039 2.947 ( -15.594 -5.000 0.000) 16.376 3.010 ( -18.318 -4.089 0.000) 18.769 3.142 ( -6.570 -10.005 0.000) 11.969 3.308 ( -18.073 14.569 0.000) 23.214 3.389 ( -23.190 -4.649 0.000) 23.651 3.522 ( -12.245 -7.436 0.000) 14.326 4.699 ( 1.587 10.401 0.000) 10.521 4.725 ( -1.982 7.643 0.000) 7.896 5.046 ( 3.988 -3.683 0.000) 5.428 5.316 ( 6.148 -5.903 0.000) 8.523 5.578 ( 4.452 -9.468 0.000) 10.462 7.343 ( -25.385 -2.196 0.000) 25.480 7.573 ( -24.654 5.056 0.000) 25.167 7.604 ( -2.438 -0.286 0.000) 2.455 8.129 ( -7.001 -11.116 0.000) 13.137 8.272 ( -23.173 0.746 0.000) 23.185 8.316 ( -12.206 0.635 0.000) 12.223 9.324 ( -8.042 -10.526 0.000) 13.246 9.483 ( 2.519 11.456 0.000) 11.730 9.843 ( -1.916 -2.118 0.000) 2.856 9.887 ( -4.956 -16.991 0.000) 17.700 10.272 ( 22.758 -8.751 0.000) 24.382 10.912 ( 2.775 -5.427 0.000) 6.096 11.515 ( -3.380 6.203 0.000) 7.064 12.181 ( 24.937 3.092 0.000) 25.128 12.567 ( 10.218 -3.737 0.000) 10.880 12.681 ( 7.236 8.175 0.000) 10.917 12.916 ( -6.416 1.685 0.000) 6.634 13.148 ( -2.418 2.905 0.000) 3.779 14.268 ( 19.449 4.300 0.000) 19.918 14.402 ( -1.189 1.793 0.000) 2.152 15.650 ( -5.820 -7.215 0.000) 9.270 16.043 ( 16.136 -3.190 0.000) 16.449 17.103 ( 6.235 3.168 0.000) 6.994 17.583 ( 6.246 -5.096 0.000) 8.061======================= Grid point 76 (56/219) =======================q-point: (-0.31 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.391 ( -20.810 10.909 0.000) 23.496 1.577 ( -5.706 19.453 0.000) 20.272 1.709 ( -18.615 4.942 0.000) 19.260 1.895 ( -3.955 -7.353 0.000) 8.349 2.292 ( -6.808 3.898 0.000) 7.845 2.320 ( -1.753 4.522 0.000) 4.850 2.603 ( -13.819 12.824 0.000) 18.853 2.627 ( -16.480 10.549 0.000) 19.567 2.656 ( -15.749 2.591 0.000) 15.960 2.860 ( -18.377 5.284 0.000) 19.121 3.155 ( -1.313 -16.826 0.000) 16.877 3.357 ( -0.437 -26.543 0.000) 26.546 3.486 ( -1.005 -10.191 0.000) 10.240 4.628 ( -1.074 14.653 0.000) 14.692 4.668 ( 1.307 10.583 0.000) 10.663 5.150 ( 3.365 -4.691 0.000) 5.773 5.444 ( 3.634 -6.022 0.000) 7.033 5.715 ( 3.464 -12.076 0.000) 12.563 6.837 ( -25.148 5.599 0.000) 25.764 7.030 ( -24.398 9.946 0.000) 26.348 7.569 ( -1.724 -0.595 0.000) 1.824 7.887 ( -15.008 -0.186 0.000) 15.009 8.120 ( -1.693 -10.028 0.000) 10.170 8.173 ( -4.819 -1.783 0.000) 5.138 9.282 ( -4.430 -15.667 0.000) 16.281 9.433 ( 1.687 20.512 0.000) 20.581 9.840 ( 0.110 -2.556 0.000) 2.559 9.931 ( -1.967 -21.930 0.000) 22.018 10.773 ( 23.646 -6.635 0.000) 24.559 10.981 ( 0.441 -8.160 0.000) 8.172 11.445 ( -0.693 5.514 0.000) 5.557 12.586 ( 18.421 2.775 0.000) 18.629 12.723 ( 1.964 7.449 0.000) 7.703 12.739 ( 5.644 -3.158 0.000) 6.467 12.790 ( -5.010 1.769 0.000) 5.313 13.096 ( -1.064 4.036 0.000) 4.174 14.310 ( -6.052 1.838 0.000) 6.325 14.507 ( 8.166 3.564 0.000) 8.910 15.515 ( -10.027 -3.081 0.000) 10.490 16.358 ( 13.746 -1.168 0.000) 13.795 17.183 ( 3.767 2.542 0.000) 4.544 17.710 ( 3.799 -5.514 0.000) 6.696======================= Grid point 77 (57/219) =======================q-point: (-0.25 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 219Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.069 ( -0.000 16.777 0.000) 16.777 1.420 ( -0.000 27.863 0.000) 27.863 1.465 ( -0.000 0.299 0.000) 0.299 1.893 ( -0.000 3.270 0.000) 3.270 2.216 ( -0.000 0.067 0.000) 0.067 2.285 ( -0.000 4.659 0.000) 4.659 2.310 ( -0.000 21.583 0.000) 21.583 2.466 ( 0.000 -1.171 0.000) 1.171 2.477 ( -0.000 1.538 0.000) 1.538 2.657 ( -0.000 1.758 0.000) 1.758 3.245 ( 0.000 -17.755 0.000) 17.755 3.521 ( 0.000 -28.904 0.000) 28.904 3.536 ( 0.000 -9.290 0.000) 9.290 4.525 ( -0.000 17.451 0.000) 17.451 4.622 ( -0.000 10.388 0.000) 10.388 5.201 ( 0.000 -1.230 0.000) 1.230 5.514 ( 0.000 -5.917 0.000) 5.917 5.833 ( 0.000 -14.493 0.000) 14.493 6.490 ( -0.000 13.715 0.000) 13.715 6.700 ( -0.000 13.808 0.000) 13.808 7.556 ( 0.000 -0.882 0.000) 0.882 7.745 ( 0.000 -0.652 0.000) 0.652 8.141 ( 0.000 -1.627 0.000) 1.627 8.153 ( 0.000 -5.965 0.000) 5.965 9.323 ( -0.000 21.889 0.000) 21.889 9.337 ( 0.000 -17.751 0.000) 17.751 9.860 ( 0.000 -2.647 0.000) 2.647 10.052 ( 0.000 -25.148 0.000) 25.148 11.033 ( 0.000 -9.281 0.000) 9.281 11.089 ( 0.000 -9.241 0.000) 9.241 11.417 ( -0.000 2.713 0.000) 2.713 12.689 ( -0.000 7.695 0.000) 7.695 12.731 ( -0.000 1.894 0.000) 1.894 12.764 ( -0.000 1.963 0.000) 1.963 12.806 ( 0.000 -1.543 0.000) 1.543 13.062 ( -0.000 4.468 0.000) 4.468 14.220 ( -0.000 3.308 0.000) 3.308 14.556 ( -0.000 2.627 0.000) 2.627 15.398 ( -0.000 1.860 0.000) 1.860 16.506 ( 0.000 -1.251 0.000) 1.251 17.205 ( -0.000 2.507 0.000) 2.507 17.780 ( 0.000 -5.930 0.000) 5.930======================= Grid point 86 (58/219) =======================q-point: (-0.69 0.31 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.246 ( -3.906 -0.000 0.000) 3.906 2.560 ( 2.270 0.000 0.000) 2.270 2.665 ( -2.774 -0.000 0.000) 2.774 2.669 ( -3.222 -0.000 0.000) 3.222 3.078 ( -7.759 -0.000 0.000) 7.759 3.101 ( -3.685 -0.000 0.000) 3.685 3.289 ( -2.338 -0.000 0.000) 2.338 3.343 ( -10.994 -0.000 0.000) 10.994 3.644 ( -4.834 -0.000 0.000) 4.834 4.141 ( -4.475 -0.000 0.000) 4.475 4.197 ( 8.590 0.000 0.000) 8.590 4.453 ( -1.327 -0.000 0.000) 1.327 4.579 ( 5.102 0.000 0.000) 5.102 4.959 ( -6.135 -0.000 0.000) 6.135 4.974 ( -3.177 -0.000 0.000) 3.177 5.670 ( -15.687 -0.000 0.000) 15.687 5.776 ( -11.894 -0.000 0.000) 11.894 5.801 ( -10.538 -0.000 0.000) 10.538 7.663 ( 6.129 0.000 0.000) 6.129 7.855 ( 3.571 0.000 0.000) 3.571 8.303 ( -7.788 -0.000 0.000) 7.788 8.693 ( -7.782 -0.000 0.000) 7.782 9.078 ( -14.424 -0.000 0.000) 14.424 9.549 ( -1.972 -0.000 0.000) 1.972 9.642 ( -8.376 -0.000 0.000) 8.376 9.948 ( -18.900 -0.000 0.000) 18.900 10.212 ( -3.201 -0.000 0.000) 3.201 10.358 ( -13.830 -0.000 0.000) 13.830 10.447 ( -14.473 -0.000 0.000) 14.473 10.814 ( -0.490 -0.000 0.000) 0.490 11.316 ( -16.206 -0.000 0.000) 16.206 11.495 ( 16.952 0.000 0.000) 16.952 11.632 ( 5.947 0.000 0.000) 5.947 11.860 ( 20.234 0.000 0.000) 20.234 12.155 ( 21.902 0.000 0.000) 21.902 12.938 ( 27.562 0.000 0.000) 27.562 13.185 ( -0.138 -0.000 0.000) 0.138 13.287 ( -2.633 -0.000 0.000) 2.633 15.509 ( 0.863 0.000 0.000) 0.863 15.887 ( -7.056 -0.000 0.000) 7.056 16.597 ( 8.000 0.000 0.000) 8.000 17.086 ( 3.048 0.000 0.000) 3.048======================= Grid point 88 (59/219) =======================q-point: (-0.62 0.31 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.179 ( -4.014 -2.792 0.000) 4.889 2.563 ( -2.102 6.392 0.000) 6.729 2.574 ( -5.887 2.663 0.000) 6.461 2.619 ( -1.571 -3.474 0.000) 3.813 2.940 ( -6.654 -0.997 0.000) 6.728 3.047 ( -2.799 -2.541 0.000) 3.780 3.145 ( -7.445 7.208 0.000) 10.363 3.253 ( -6.083 -9.691 0.000) 11.442 3.476 ( -13.324 -0.302 0.000) 13.328 3.972 ( -12.464 -1.158 0.000) 12.518 4.350 ( 6.806 1.537 0.000) 6.978 4.454 ( 0.457 2.354 0.000) 2.398 4.636 ( -1.201 -1.729 0.000) 2.105 4.792 ( -11.195 0.645 0.000) 11.213 4.922 ( -1.803 -0.721 0.000) 1.942 5.319 ( -20.448 0.904 0.000) 20.468 5.499 ( -13.588 4.055 0.000) 14.181 5.581 ( -13.978 -1.928 0.000) 14.110 7.725 ( 0.713 1.375 0.000) 1.549 7.921 ( 3.246 0.519 0.000) 3.287 8.162 ( -8.885 -3.340 0.000) 9.492 8.572 ( -6.526 -3.018 0.000) 7.190 8.866 ( -7.972 -0.971 0.000) 8.031 9.468 ( -6.905 -0.038 0.000) 6.905 9.483 ( -8.563 0.458 0.000) 8.575 9.637 ( -13.850 -1.285 0.000) 13.909 10.105 ( -10.204 2.351 0.000) 10.471 10.127 ( -10.677 -0.078 0.000) 10.678 10.187 ( -13.180 -4.057 0.000) 13.790 10.798 ( -0.552 0.570 0.000) 0.793 11.132 ( -1.033 -1.360 0.000) 1.707 11.709 ( 2.372 -0.654 0.000) 2.461 11.810 ( 15.688 0.036 0.000) 15.688 12.166 ( 15.090 2.022 0.000) 15.225 12.694 ( 32.344 -0.059 0.000) 32.344 13.188 ( -0.078 0.471 0.000) 0.477 13.235 ( -2.730 -0.862 0.000) 2.863 13.477 ( 29.499 0.403 0.000) 29.501 15.528 ( 1.378 0.434 0.000) 1.444 15.751 ( -7.868 -2.698 0.000) 8.318 16.751 ( 8.598 1.024 0.000) 8.659 17.155 ( 4.069 -0.810 0.000) 4.149======================= Grid point 89 (60/219) =======================q-point: (-0.56 0.31 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.121 ( -4.929 -4.583 0.000) 6.731 2.428 ( -7.882 1.941 0.000) 8.118 2.436 ( -5.664 9.715 0.000) 11.245 2.602 ( -2.176 1.051 0.000) 2.417 2.852 ( -4.662 -5.336 0.000) 7.086 2.963 ( -7.624 7.043 0.000) 10.379 3.027 ( -2.775 -5.871 0.000) 6.494 3.140 ( -12.412 -8.896 0.000) 15.271 3.156 ( -19.671 -1.214 0.000) 19.709 3.717 ( -15.810 -2.617 0.000) 16.026 4.334 ( -10.530 3.774 0.000) 11.186 4.381 ( -7.174 8.970 0.000) 11.486 4.405 ( -21.713 1.474 0.000) 21.763 4.646 ( -6.081 -5.850 0.000) 8.438 4.915 ( -3.631 -1.401 0.000) 3.891 5.002 ( -4.893 1.109 0.000) 5.017 5.280 ( -8.334 3.797 0.000) 9.158 5.363 ( -6.753 -2.096 0.000) 7.071 7.690 ( -2.619 1.923 0.000) 3.249 7.955 ( 0.552 1.382 0.000) 1.488 7.983 ( -13.280 -5.214 0.000) 14.267 8.447 ( -10.509 -5.120 0.000) 11.690 8.754 ( -6.520 0.553 0.000) 6.543 9.228 ( -17.389 1.583 0.000) 17.461 9.415 ( 1.020 -4.749 0.000) 4.857 9.470 ( -4.848 -3.112 0.000) 5.761 9.807 ( -16.810 3.551 0.000) 17.181 9.963 ( -6.881 -0.194 0.000) 6.884 9.995 ( -11.974 -8.762 0.000) 14.837 10.796 ( 0.828 0.912 0.000) 1.232 11.315 ( 17.867 -1.264 0.000) 17.912 11.721 ( -1.611 -1.282 0.000) 2.059 12.080 ( 13.373 0.718 0.000) 13.392 12.423 ( 14.022 4.166 0.000) 14.628 13.138 ( -3.390 2.904 0.000) 4.464 13.223 ( -0.702 -2.845 0.000) 2.931 13.308 ( 32.526 0.884 0.000) 32.538 14.004 ( 25.950 1.840 0.000) 26.015 15.547 ( 0.527 -0.043 0.000) 0.529 15.660 ( -3.088 -6.414 0.000) 7.118 16.901 ( 8.178 2.068 0.000) 8.435 17.251 ( 5.472 -2.047 0.000) 5.842======================= Grid point 90 (61/219) =======================q-point: (-0.50 0.31 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.020 ( -8.483 -2.704 0.000) 8.903 2.250 ( -6.809 13.899 0.000) 15.477 2.255 ( -10.362 1.877 0.000) 10.531 2.521 ( -4.660 6.106 0.000) 7.681 2.676 ( -23.966 -3.336 0.000) 24.197 2.795 ( -7.586 -0.106 0.000) 7.587 2.852 ( -4.529 -10.529 0.000) 11.462 2.901 ( -16.241 -6.772 0.000) 17.596 3.074 ( -0.043 -6.849 0.000) 6.849 3.390 ( -20.616 -1.633 0.000) 20.680 3.904 ( -28.390 3.364 0.000) 28.588 3.921 ( -27.662 1.595 0.000) 27.708 4.054 ( -18.450 16.958 0.000) 25.059 4.633 ( -1.349 -13.414 0.000) 13.482 4.836 ( 0.282 7.507 0.000) 7.512 5.093 ( 6.495 -5.482 0.000) 8.500 5.119 ( -4.267 7.471 0.000) 8.604 5.375 ( 2.985 -5.849 0.000) 6.567 7.623 ( -4.233 1.357 0.000) 4.445 7.722 ( -16.340 -4.310 0.000) 16.899 7.913 ( -4.709 2.426 0.000) 5.297 8.210 ( -17.661 -6.687 0.000) 18.884 8.559 ( -12.989 1.516 0.000) 13.077 8.806 ( -25.849 1.888 0.000) 25.918 9.440 ( -11.158 0.523 0.000) 11.170 9.482 ( 3.785 -1.309 0.000) 4.005 9.661 ( 8.179 -10.544 0.000) 13.345 9.863 ( -4.786 -9.855 0.000) 10.955 9.869 ( -3.580 -0.701 0.000) 3.648 10.819 ( 1.690 -0.528 0.000) 1.770 11.671 ( -2.942 2.624 0.000) 3.942 11.738 ( 25.396 0.791 0.000) 25.409 12.310 ( 11.164 -1.408 0.000) 11.252 12.632 ( 10.910 5.548 0.000) 12.239 13.049 ( -4.688 1.935 0.000) 5.072 13.212 ( -1.644 -0.588 0.000) 1.746 13.876 ( 28.294 2.413 0.000) 28.397 14.358 ( 11.590 2.544 0.000) 11.866 15.578 ( 1.385 -3.224 0.000) 3.509 15.725 ( 7.061 -6.355 0.000) 9.500 17.031 ( 7.079 2.732 0.000) 7.588 17.383 ( 6.753 -3.315 0.000) 7.522======================= Grid point 91 (62/219) =======================q-point: (-0.44 0.31 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.832 ( -13.545 -0.955 0.000) 13.578 1.996 ( -13.437 3.953 0.000) 14.007 2.023 ( -9.554 15.236 0.000) 17.984 2.169 ( -22.652 2.418 0.000) 22.780 2.451 ( -3.595 4.453 0.000) 5.723 2.578 ( -13.495 5.335 0.000) 14.511 2.775 ( -5.969 -20.370 0.000) 21.227 2.856 ( -3.335 -10.886 0.000) 11.385 2.984 ( -22.183 -0.896 0.000) 22.201 3.067 ( -7.588 -3.967 0.000) 8.562 3.359 ( -26.816 0.312 0.000) 26.817 3.441 ( -19.028 -6.344 0.000) 20.057 3.574 ( -17.629 26.514 0.000) 31.840 4.710 ( 0.725 -11.350 0.000) 11.373 4.812 ( 1.787 9.348 0.000) 9.518 5.043 ( -0.008 4.604 0.000) 4.604 5.247 ( 5.945 -6.084 0.000) 8.507 5.486 ( 4.189 -6.891 0.000) 8.064 7.336 ( -21.441 0.523 0.000) 21.447 7.600 ( -2.435 -0.457 0.000) 2.478 7.637 ( -22.882 5.771 0.000) 23.599 8.004 ( -7.276 -10.363 0.000) 12.662 8.281 ( -22.074 0.746 0.000) 22.087 8.318 ( -16.224 -0.282 0.000) 16.227 9.231 ( -10.666 -5.704 0.000) 12.095 9.584 ( 7.534 6.327 0.000) 9.838 9.708 ( -6.195 -13.916 0.000) 15.233 9.823 ( -2.101 -1.323 0.000) 2.482 10.176 ( 24.998 -7.742 0.000) 26.170 10.859 ( 1.074 -3.771 0.000) 3.921 11.600 ( -0.980 8.200 0.000) 8.258 12.212 ( 25.163 2.329 0.000) 25.271 12.518 ( 8.946 -4.721 0.000) 10.116 12.762 ( 6.239 5.849 0.000) 8.552 12.934 ( -6.537 1.338 0.000) 6.672 13.175 ( -1.595 1.886 0.000) 2.470 14.313 ( 19.327 3.411 0.000) 19.625 14.421 ( -1.902 1.559 0.000) 2.460 15.573 ( -4.943 -6.065 0.000) 7.824 16.012 ( 18.378 -2.334 0.000) 18.526 17.135 ( 5.589 2.464 0.000) 6.108 17.530 ( 6.356 -3.957 0.000) 7.487======================= Grid point 92 (63/219) =======================q-point: (-0.38 0.31 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.493 ( -17.807 6.875 0.000) 19.088 1.665 ( -18.546 1.148 0.000) 18.581 1.822 ( -4.967 -2.884 0.000) 5.744 1.885 ( -3.655 20.387 0.000) 20.712 2.323 ( -10.205 1.884 0.000) 10.377 2.379 ( -0.938 5.769 0.000) 5.844 2.609 ( -15.439 -0.492 0.000) 15.447 2.686 ( -16.029 2.490 0.000) 16.221 2.763 ( -7.010 -2.664 0.000) 7.499 2.965 ( -16.249 -3.044 0.000) 16.532 2.969 ( -2.689 -15.235 0.000) 15.471 3.188 ( -5.733 15.455 0.000) 16.485 3.356 ( -1.582 -12.474 0.000) 12.574 4.744 ( -0.024 2.792 0.000) 2.792 4.786 ( 1.210 10.019 0.000) 10.092 5.072 ( 1.956 -6.220 0.000) 6.521 5.373 ( 3.519 -6.248 0.000) 7.171 5.597 ( 2.886 -8.402 0.000) 8.884 6.915 ( -19.088 7.422 0.000) 20.480 7.143 ( -21.258 9.472 0.000) 23.273 7.562 ( -1.985 -0.715 0.000) 2.110 7.885 ( -15.568 -0.162 0.000) 15.569 7.988 ( -2.215 -12.022 0.000) 12.224 8.144 ( -6.049 -3.198 0.000) 6.842 9.123 ( -5.955 -11.837 0.000) 13.250 9.643 ( 4.188 15.269 0.000) 15.833 9.707 ( -3.047 -17.083 0.000) 17.352 9.817 ( 0.760 -1.449 0.000) 1.636 10.694 ( 22.927 -6.893 0.000) 23.941 10.894 ( -0.565 -6.909 0.000) 6.932 11.540 ( 0.285 10.903 0.000) 10.907 12.614 ( 17.596 2.107 0.000) 17.721 12.687 ( 5.308 -6.025 0.000) 8.030 12.797 ( 1.229 5.606 0.000) 5.739 12.809 ( -5.071 1.435 0.000) 5.270 13.137 ( -0.941 3.066 0.000) 3.207 14.331 ( -5.314 1.760 0.000) 5.598 14.544 ( 7.196 2.865 0.000) 7.745 15.484 ( -5.995 -2.243 0.000) 6.401 16.342 ( 13.700 -1.520 0.000) 13.784 17.208 ( 3.303 1.846 0.000) 3.784 17.653 ( 3.858 -4.359 0.000) 5.821======================= Grid point 93 (64/219) =======================q-point: (-0.31 0.31 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.236 ( -0.000 12.470 0.000) 12.470 1.468 ( -0.000 0.184 0.000) 0.184 1.723 ( -0.000 25.143 0.000) 25.143 1.814 ( 0.000 -8.247 0.000) 8.247 2.216 ( 0.000 -0.039 0.000) 0.039 2.345 ( -0.000 6.057 0.000) 6.057 2.456 ( 0.000 -0.656 0.000) 0.656 2.493 ( -0.000 1.339 0.000) 1.339 2.675 ( -0.000 1.396 0.000) 1.396 2.690 ( -0.000 33.544 0.000) 33.544 3.044 ( 0.000 -17.188 0.000) 17.188 3.207 ( 0.000 -22.912 0.000) 22.912 3.417 ( 0.000 -11.721 0.000) 11.721 4.697 ( -0.000 11.617 0.000) 11.617 4.740 ( -0.000 10.284 0.000) 10.284 5.142 ( 0.000 -8.621 0.000) 8.621 5.444 ( 0.000 -6.298 0.000) 6.298 5.683 ( 0.000 -11.105 0.000) 11.105 6.645 ( -0.000 13.159 0.000) 13.159 6.855 ( -0.000 12.985 0.000) 12.985 7.545 ( 0.000 -0.911 0.000) 0.911 7.738 ( 0.000 -0.637 0.000) 0.637 8.040 ( 0.000 -12.341 0.000) 12.341 8.111 ( 0.000 -3.569 0.000) 3.569 9.146 ( 0.000 -15.297 0.000) 15.297 9.575 ( -0.000 20.282 0.000) 20.282 9.788 ( 0.000 -20.652 0.000) 20.652 9.837 ( 0.000 -0.988 0.000) 0.988 10.930 ( 0.000 -8.567 0.000) 8.567 10.986 ( 0.000 -8.555 0.000) 8.555 11.484 ( -0.000 9.211 0.000) 9.211 12.750 ( -0.000 1.417 0.000) 1.417 12.767 ( -0.000 6.053 0.000) 6.053 12.771 ( 0.000 -4.745 0.000) 4.745 12.784 ( -0.000 1.497 0.000) 1.497 13.108 ( -0.000 3.631 0.000) 3.631 14.255 ( -0.000 2.845 0.000) 2.845 14.585 ( -0.000 2.320 0.000) 2.320 15.418 ( -0.000 1.586 0.000) 1.586 16.488 ( 0.000 -1.692 0.000) 1.692 17.230 ( -0.000 1.809 0.000) 1.809 17.717 ( 0.000 -4.959 0.000) 4.959======================= Grid point 104 (65/219) =======================q-point: (-0.62 0.38 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 219Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.094 ( -4.239 -0.000 0.000) 4.239 2.439 ( -8.795 -0.000 0.000) 8.795 2.505 ( -5.255 -0.000 0.000) 5.255 2.600 ( -0.630 -0.000 0.000) 0.630 2.820 ( -5.509 -0.000 0.000) 5.509 2.991 ( -3.422 -0.000 0.000) 3.422 3.032 ( -13.290 -0.000 0.000) 13.290 3.063 ( -6.162 -0.000 0.000) 6.162 3.149 ( -19.958 -0.000 0.000) 19.958 3.700 ( -15.728 -0.000 0.000) 15.728 4.357 ( -11.142 -0.000 0.000) 11.142 4.413 ( -21.089 -0.000 0.000) 21.089 4.444 ( -3.124 -0.000 0.000) 3.124 4.602 ( -10.781 -0.000 0.000) 10.781 4.904 ( 0.285 0.000 0.000) 0.285 5.010 ( -8.312 -0.000 0.000) 8.312 5.305 ( -5.275 -0.000 0.000) 5.275 5.348 ( -10.224 -0.000 0.000) 10.224 7.702 ( -2.884 -0.000 0.000) 2.884 7.952 ( -12.655 -0.000 0.000) 12.655 7.963 ( 0.591 0.000 0.000) 0.591 8.417 ( -10.124 -0.000 0.000) 10.124 8.757 ( -5.850 -0.000 0.000) 5.850 9.239 ( -17.203 -0.000 0.000) 17.203 9.385 ( -0.181 -0.000 0.000) 0.181 9.452 ( -4.775 -0.000 0.000) 4.775 9.844 ( -18.019 -0.000 0.000) 18.019 9.928 ( -11.656 -0.000 0.000) 11.656 9.962 ( -6.910 -0.000 0.000) 6.910 10.801 ( 0.605 0.000 0.000) 0.605 11.308 ( 18.530 0.000 0.000) 18.530 11.714 ( -0.944 -0.000 0.000) 0.944 12.085 ( 13.100 0.000 0.000) 13.100 12.447 ( 13.980 0.000 0.000) 13.980 13.162 ( -4.328 -0.000 0.000) 4.328 13.199 ( 0.487 0.000 0.000) 0.487 13.313 ( 32.841 0.000 0.000) 32.841 14.015 ( 26.174 0.000 0.000) 26.174 15.550 ( 0.728 0.000 0.000) 0.728 15.620 ( -3.755 -0.000 0.000) 3.755 16.913 ( 8.206 0.000 0.000) 8.206 17.239 ( 5.308 0.000 0.000) 5.308======================= Grid point 106 (66/219) =======================q-point: (-0.56 0.38 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.003 ( -6.528 -0.564 0.000) 6.552 2.265 ( -9.509 0.253 0.000) 9.512 2.383 ( -5.287 7.903 0.000) 9.508 2.566 ( -2.742 1.214 0.000) 2.999 2.655 ( -25.836 -0.240 0.000) 25.837 2.744 ( -16.509 -4.101 0.000) 17.011 2.750 ( -4.622 -5.879 0.000) 7.478 2.904 ( -11.256 2.162 0.000) 11.462 3.012 ( -0.431 -3.309 0.000) 3.337 3.374 ( -19.784 -0.949 0.000) 19.807 3.926 ( -29.130 0.889 0.000) 29.143 3.935 ( -29.195 0.647 0.000) 29.202 4.256 ( -12.088 17.952 0.000) 21.642 4.458 ( -6.499 -16.752 0.000) 17.969 4.909 ( 1.446 4.637 0.000) 4.857 5.035 ( 5.850 -3.968 0.000) 7.069 5.194 ( -4.155 4.917 0.000) 6.437 5.315 ( 2.925 -4.142 0.000) 5.071 7.639 ( -3.845 1.248 0.000) 4.042 7.684 ( -15.648 -2.146 0.000) 15.795 7.933 ( -3.534 0.951 0.000) 3.660 8.157 ( -18.534 -2.338 0.000) 18.681 8.570 ( -13.636 0.423 0.000) 13.642 8.822 ( -26.237 0.802 0.000) 26.249 9.468 ( 5.715 -0.798 0.000) 5.770 9.472 ( -10.421 4.840 0.000) 11.490 9.553 ( 3.730 -8.090 0.000) 8.908 9.783 ( -1.961 -3.799 0.000) 4.275 9.865 ( -3.740 -0.183 0.000) 3.745 10.816 ( 0.773 -0.099 0.000) 0.780 11.693 ( -0.549 1.062 0.000) 1.195 11.744 ( 26.202 0.304 0.000) 26.204 12.299 ( 9.745 -0.523 0.000) 9.759 12.675 ( 10.548 1.918 0.000) 10.721 13.066 ( -5.552 0.845 0.000) 5.616 13.205 ( -0.280 -0.418 0.000) 0.503 13.895 ( 28.645 0.894 0.000) 28.659 14.379 ( 11.108 0.942 0.000) 11.148 15.550 ( -1.117 -1.466 0.000) 1.843 15.677 ( 10.200 -2.028 0.000) 10.400 17.053 ( 6.871 1.031 0.000) 6.948 17.356 ( 6.708 -1.243 0.000) 6.822======================= Grid point 107 (67/219) =======================q-point: (-0.50 0.38 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 390Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.830 ( -12.190 0.520 0.000) 12.201 2.056 ( -11.132 5.999 0.000) 12.646 2.123 ( -25.469 2.300 0.000) 25.572 2.246 ( -6.074 10.767 0.000) 12.362 2.503 ( -2.591 3.326 0.000) 4.216 2.550 ( -8.962 -17.220 0.000) 19.412 2.628 ( -15.407 3.173 0.000) 15.730 2.731 ( -2.849 -9.472 0.000) 9.891 2.976 ( -22.058 -0.515 0.000) 22.064 3.027 ( -2.261 -3.252 0.000) 3.961 3.366 ( -28.687 0.543 0.000) 28.692 3.384 ( -26.488 -3.351 0.000) 26.699 3.893 ( -11.101 28.529 0.000) 30.613 4.506 ( -1.309 -22.607 0.000) 22.645 4.908 ( 1.836 7.033 0.000) 7.269 5.117 ( -0.965 6.543 0.000) 6.614 5.181 ( 5.977 -5.293 0.000) 7.983 5.417 ( 4.380 -4.981 0.000) 6.633 7.346 ( -18.684 0.918 0.000) 18.707 7.595 ( -2.511 -0.378 0.000) 2.539 7.699 ( -22.800 4.745 0.000) 23.288 7.902 ( -6.738 -7.115 0.000) 9.799 8.289 ( -19.174 0.617 0.000) 19.184 8.311 ( -21.449 -0.686 0.000) 21.460 9.192 ( -13.358 -1.499 0.000) 13.442 9.578 ( -5.510 -8.356 0.000) 10.009 9.632 ( 10.887 2.376 0.000) 11.144 9.812 ( -2.285 -0.631 0.000) 2.370 10.104 ( 26.364 -4.631 0.000) 26.767 10.827 ( -0.248 -1.884 0.000) 1.900 11.688 ( 2.101 6.366 0.000) 6.703 12.233 ( 25.233 1.248 0.000) 25.263 12.466 ( 6.988 -3.854 0.000) 7.980 12.813 ( 5.546 3.055 0.000) 6.332 12.946 ( -6.662 0.741 0.000) 6.703 13.191 ( -0.942 0.918 0.000) 1.315 14.344 ( 19.120 1.891 0.000) 19.213 14.436 ( -2.370 0.943 0.000) 2.551 15.517 ( -3.765 -3.479 0.000) 5.126 15.991 ( 19.457 -1.275 0.000) 19.499 17.157 ( 5.017 1.380 0.000) 5.204 17.495 ( 6.584 -2.193 0.000) 6.939======================= Grid point 108 (68/219) =======================q-point: (-0.44 0.38 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.550 ( -14.585 3.513 0.000) 15.002 1.669 ( -19.590 0.047 0.000) 19.590 1.848 ( -5.480 7.220 0.000) 9.064 2.104 ( -1.056 17.430 0.000) 17.462 2.340 ( -12.191 1.049 0.000) 12.236 2.445 ( -0.622 5.108 0.000) 5.146 2.577 ( -4.097 -17.822 0.000) 18.287 2.615 ( -12.979 -5.502 0.000) 14.097 2.695 ( -10.971 -3.212 0.000) 11.432 2.837 ( -8.667 -4.859 0.000) 9.936 2.903 ( -19.441 -1.716 0.000) 19.517 3.204 ( -2.316 -13.859 0.000) 14.051 3.545 ( -5.855 35.945 0.000) 36.418 4.631 ( 0.440 -20.930 0.000) 20.935 4.893 ( 1.145 8.368 0.000) 8.446 5.076 ( 0.232 5.607 0.000) 5.612 5.303 ( 3.503 -5.818 0.000) 6.791 5.518 ( 2.841 -5.681 0.000) 6.351 6.993 ( -15.368 5.903 0.000) 16.463 7.238 ( -19.472 6.861 0.000) 20.645 7.554 ( -2.108 -0.653 0.000) 2.207 7.864 ( -2.760 -9.135 0.000) 9.543 7.883 ( -16.079 -0.063 0.000) 16.079 8.104 ( -7.426 -3.398 0.000) 8.167 9.016 ( -7.464 -6.777 0.000) 10.082 9.547 ( -3.162 -10.734 0.000) 11.190 9.761 ( 1.203 4.292 0.000) 4.458 9.820 ( 6.226 3.178 0.000) 6.991 10.624 ( 22.917 -5.095 0.000) 23.477 10.828 ( -1.441 -4.585 0.000) 4.807 11.680 ( 2.329 12.624 0.000) 12.837 12.606 ( 4.287 -7.544 0.000) 8.677 12.633 ( 16.929 1.302 0.000) 16.979 12.823 ( -5.289 0.887 0.000) 5.363 12.850 ( 0.673 3.491 0.000) 3.555 13.165 ( -0.804 1.932 0.000) 2.093 14.348 ( -4.947 1.205 0.000) 5.092 14.571 ( 6.396 1.808 0.000) 6.647 15.464 ( -2.869 -1.334 0.000) 3.164 16.326 ( 13.626 -1.269 0.000) 13.684 17.224 ( 2.797 1.047 0.000) 2.987 17.612 ( 4.061 -2.721 0.000) 4.888======================= Grid point 109 (69/219) =======================q-point: (-0.38 0.38 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 219Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.354 ( -0.000 8.180 0.000) 8.180 1.469 ( -0.000 0.090 0.000) 0.090 1.773 ( -0.000 1.876 0.000) 1.876 1.990 ( -0.000 21.288 0.000) 21.288 2.215 ( 0.000 -0.128 0.000) 0.128 2.424 ( -0.000 7.460 0.000) 7.460 2.451 ( 0.000 -0.226 0.000) 0.226 2.506 ( -0.000 0.975 0.000) 0.975 2.689 ( -0.000 0.957 0.000) 0.957 2.739 ( 0.000 -23.393 0.000) 23.393 2.860 ( 0.000 -14.630 0.000) 14.630 3.270 ( 0.000 -13.737 0.000) 13.737 3.283 ( -0.000 34.302 0.000) 34.302 4.728 ( 0.000 -9.930 0.000) 9.930 4.853 ( -0.000 9.327 0.000) 9.327 5.065 ( 0.000 -0.799 0.000) 0.799 5.372 ( 0.000 -6.196 0.000) 6.196 5.582 ( 0.000 -6.944 0.000) 6.944 6.782 ( -0.000 10.474 0.000) 10.474 6.989 ( -0.000 10.120 0.000) 10.120 7.535 ( 0.000 -0.821 0.000) 0.821 7.731 ( 0.000 -0.510 0.000) 0.510 7.898 ( 0.000 -11.577 0.000) 11.577 8.062 ( 0.000 -4.760 0.000) 4.760 8.997 ( 0.000 -10.585 0.000) 10.585 9.588 ( 0.000 -14.132 0.000) 14.132 9.738 ( -0.000 6.332 0.000) 6.332 9.860 ( -0.000 6.429 0.000) 6.429 10.842 ( 0.000 -6.612 0.000) 6.612 10.898 ( 0.000 -6.619 0.000) 6.619 11.623 ( -0.000 14.362 0.000) 14.362 12.697 ( 0.000 -8.013 0.000) 8.013 12.763 ( -0.000 0.896 0.000) 0.896 12.798 ( -0.000 0.967 0.000) 0.967 12.826 ( -0.000 4.173 0.000) 4.173 13.144 ( -0.000 2.614 0.000) 2.614 14.283 ( -0.000 1.978 0.000) 1.978 14.608 ( -0.000 1.679 0.000) 1.679 15.434 ( -0.000 1.272 0.000) 1.272 16.469 ( 0.000 -1.661 0.000) 1.661 17.246 ( -0.000 0.990 0.000) 0.990 17.669 ( 0.000 -3.390 0.000) 3.390======================= Grid point 122 (70/219) =======================q-point: (-0.56 0.44 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.835 ( -12.086 -0.000 0.000) 12.086 2.104 ( -7.445 -0.000 0.000) 7.445 2.131 ( -27.728 -0.000 0.000) 27.728 2.329 ( -3.051 -0.000 0.000) 3.051 2.435 ( -12.540 -0.000 0.000) 12.540 2.511 ( -3.303 -0.000 0.000) 3.303 2.647 ( -16.426 -0.000 0.000) 16.426 2.675 ( -2.546 -0.000 0.000) 2.546 2.973 ( -21.872 -0.000 0.000) 21.872 3.004 ( 0.493 0.000 0.000) 0.493 3.365 ( -29.638 -0.000 0.000) 29.638 3.369 ( -29.057 -0.000 0.000) 29.057 4.187 ( -6.558 -0.000 0.000) 6.558 4.245 ( -4.649 -0.000 0.000) 4.649 4.954 ( 1.572 0.000 0.000) 1.572 5.144 ( 6.283 0.000 0.000) 6.283 5.161 ( -1.246 -0.000 0.000) 1.246 5.384 ( 4.732 0.000 0.000) 4.732 7.352 ( -17.718 -0.000 0.000) 17.718 7.593 ( -2.545 -0.000 0.000) 2.545 7.731 ( -24.728 -0.000 0.000) 24.728 7.855 ( -4.651 -0.000 0.000) 4.651 8.293 ( -14.503 -0.000 0.000) 14.503 8.306 ( -27.009 -0.000 0.000) 27.009 9.186 ( -14.811 -0.000 0.000) 14.811 9.529 ( -4.680 -0.000 0.000) 4.680 9.645 ( 12.042 0.000 0.000) 12.042 9.809 ( -2.359 -0.000 0.000) 2.359 10.076 ( 26.855 0.000 0.000) 26.855 10.816 ( -0.739 -0.000 0.000) 0.739 11.727 ( 3.661 0.000 0.000) 3.661 12.240 ( 25.243 0.000 0.000) 25.243 12.442 ( 5.896 0.000 0.000) 5.896 12.830 ( 5.299 0.000 0.000) 5.299 12.950 ( -6.715 -0.000 0.000) 6.715 13.197 ( -0.691 -0.000 0.000) 0.691 14.355 ( 19.021 0.000 0.000) 19.021 14.442 ( -2.547 -0.000 0.000) 2.547 15.497 ( -3.248 -0.000 0.000) 3.248 15.983 ( 19.777 0.000 0.000) 19.777 17.165 ( 4.776 0.000 0.000) 4.776 17.482 ( 6.708 0.000 0.000) 6.708======================= Grid point 124 (71/219) =======================q-point: (-0.50 0.44 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.577 ( -12.913 1.193 0.000) 12.968 1.669 ( -19.643 -0.033 0.000) 19.643 1.965 ( -4.019 10.699 0.000) 11.429 2.271 ( 0.247 10.529 0.000) 10.532 2.334 ( -4.480 -14.770 0.000) 15.435 2.350 ( -12.333 -1.677 0.000) 12.447 2.466 ( -1.644 -2.060 0.000) 2.635 2.606 ( -15.570 -0.117 0.000) 15.571 2.629 ( -4.960 -4.066 0.000) 6.414 2.870 ( -15.503 6.962 0.000) 16.994 2.897 ( -19.609 -0.044 0.000) 19.609 3.053 ( -1.696 -11.229 0.000) 11.357 3.950 ( -3.170 34.155 0.000) 34.302 4.331 ( -1.075 -29.873 0.000) 29.893 4.967 ( 0.967 3.906 0.000) 4.024 5.139 ( -0.176 3.653 0.000) 3.657 5.249 ( 3.662 -3.000 0.000) 4.734 5.469 ( 3.063 -2.590 0.000) 4.012 7.041 ( -13.574 2.225 0.000) 13.755 7.293 ( -18.783 2.534 0.000) 18.953 7.548 ( -2.146 -0.278 0.000) 2.164 7.790 ( -2.978 -3.395 0.000) 4.517 7.883 ( -16.437 0.003 0.000) 16.437 8.075 ( -8.320 -1.486 0.000) 8.451 8.966 ( -8.498 -2.108 0.000) 8.755 9.464 ( -2.883 -3.657 0.000) 4.657 9.773 ( -1.334 -0.020 0.000) 1.335 9.861 ( 10.046 2.235 0.000) 10.291 10.583 ( 23.086 -1.875 0.000) 23.162 10.792 ( -1.975 -1.599 0.000) 2.541 11.797 ( 4.483 6.277 0.000) 7.713 12.533 ( 2.910 -4.126 0.000) 5.049 12.643 ( 16.557 0.439 0.000) 16.563 12.829 ( -5.449 0.298 0.000) 5.457 12.876 ( 0.373 1.188 0.000) 1.245 13.180 ( -0.712 0.662 0.000) 0.972 14.357 ( -4.830 0.423 0.000) 4.849 14.585 ( 5.948 0.611 0.000) 5.979 15.454 ( -1.141 -0.434 0.000) 1.221 16.315 ( 13.569 -0.493 0.000) 13.578 17.232 ( 2.456 0.327 0.000) 2.477 17.591 ( 4.241 -0.913 0.000) 4.338======================= Grid point 125 (72/219) =======================q-point: (-0.44 0.44 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.423 ( -0.000 4.033 0.000) 4.033 1.470 ( -0.000 0.032 0.000) 0.032 1.857 ( -0.000 12.081 0.000) 12.081 2.206 ( -0.000 16.461 0.000) 16.461 2.213 ( 0.000 -0.115 0.000) 0.115 2.439 ( 0.000 -25.580 0.000) 25.580 2.450 ( 0.000 -0.018 0.000) 0.018 2.484 ( -0.000 0.083 0.000) 0.083 2.515 ( -0.000 0.511 0.000) 0.511 2.697 ( -0.000 0.482 0.000) 0.482 2.741 ( 0.000 -3.680 0.000) 3.680 3.112 ( 0.000 -13.082 0.000) 13.082 3.710 ( -0.000 37.816 0.000) 37.816 4.492 ( 0.000 -27.945 0.000) 27.945 4.946 ( -0.000 6.510 0.000) 6.510 5.111 ( -0.000 5.553 0.000) 5.553 5.307 ( 0.000 -4.767 0.000) 4.767 5.518 ( 0.000 -4.229 0.000) 4.229 6.877 ( -0.000 5.859 0.000) 5.859 7.080 ( -0.000 5.554 0.000) 5.554 7.527 ( 0.000 -0.525 0.000) 0.525 7.726 ( 0.000 -0.283 0.000) 0.283 7.791 ( 0.000 -6.760 0.000) 6.760 8.012 ( 0.000 -3.511 0.000) 3.511 8.907 ( 0.000 -5.189 0.000) 5.189 9.467 ( 0.000 -7.030 0.000) 7.030 9.760 ( -0.000 0.121 0.000) 0.121 9.942 ( -0.000 5.634 0.000) 5.634 10.783 ( 0.000 -3.615 0.000) 3.615 10.839 ( 0.000 -3.625 0.000) 3.625 11.787 ( -0.000 12.778 0.000) 12.778 12.599 ( 0.000 -8.118 0.000) 8.118 12.771 ( -0.000 0.423 0.000) 0.423 12.806 ( -0.000 0.465 0.000) 0.465 12.862 ( -0.000 2.135 0.000) 2.135 13.167 ( -0.000 1.381 0.000) 1.381 14.300 ( -0.000 0.983 0.000) 0.983 14.622 ( -0.000 0.869 0.000) 0.869 15.446 ( -0.000 0.746 0.000) 0.746 16.453 ( 0.000 -1.039 0.000) 1.039 17.254 ( -0.000 0.368 0.000) 0.368 17.640 ( 0.000 -1.662 0.000) 1.662======================= Grid point 141 (73/219) =======================q-point: ( 0.50 -0.50 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.446 ( -0.000 0.000 0.000) 0.000 1.470 ( -0.000 0.000 0.000) 0.000 1.976 ( -0.000 0.000 0.000) 0.000 2.213 ( -0.000 0.000 0.000) 0.000 2.243 ( -0.000 0.000 0.000) 0.000 2.337 ( 0.000 -0.000 0.000) 0.000 2.434 ( -0.000 0.000 0.000) 0.000 2.450 ( -0.000 0.000 0.000) 0.000 2.518 ( -0.000 0.000 0.000) 0.000 2.700 ( -0.000 0.000 0.000) 0.000 2.752 ( -0.000 0.000 0.000) 0.000 3.018 ( -0.000 0.000 0.000) 0.000 4.096 ( 0.000 -0.000 0.000) 0.000 4.162 ( -0.000 0.000 0.000) 0.000 4.987 ( -0.000 0.000 0.000) 0.000 5.148 ( -0.000 0.000 0.000) 0.000 5.276 ( -0.000 0.000 0.000) 0.000 5.492 ( -0.000 0.000 0.000) 0.000 6.911 ( -0.000 0.000 0.000) 0.000 7.112 ( -0.000 0.000 0.000) 0.000 7.524 ( -0.000 0.000 0.000) 0.000 7.725 ( -0.000 0.000 0.000) 0.000 7.751 ( -0.000 0.000 0.000) 0.000 7.991 ( -0.000 0.000 0.000) 0.000 8.877 ( -0.000 0.000 0.000) 0.000 9.427 ( -0.000 0.000 0.000) 0.000 9.760 ( -0.000 0.000 0.000) 0.000 9.974 ( -0.000 0.000 0.000) 0.000 10.762 ( -0.000 0.000 0.000) 0.000 10.818 ( -0.000 0.000 0.000) 0.000 11.869 ( -0.000 0.000 0.000) 0.000 12.545 ( -0.000 0.000 0.000) 0.000 12.773 ( -0.000 0.000 0.000) 0.000 12.809 ( -0.000 0.000 0.000) 0.000 12.874 ( -0.000 0.000 0.000) 0.000 13.175 ( -0.000 0.000 0.000) 0.000 14.306 ( -0.000 0.000 0.000) 0.000 14.627 ( -0.000 0.000 0.000) 0.000 15.450 ( -0.000 0.000 0.000) 0.000 16.447 ( -0.000 0.000 0.000) 0.000 17.256 ( -0.000 0.000 0.000) 0.000 17.630 ( -0.000 0.000 0.000) 0.000======================= Grid point 265 (74/219) =======================q-point: ( 0.00 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 146Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.521 ( 0.000 0.000 22.402) 22.402 0.681 ( 0.000 0.000 29.907) 29.907 1.102 ( 0.000 0.000 48.581) 48.581 1.318 ( 0.000 0.000 -11.293) 11.293 1.880 ( 0.000 0.000 -21.786) 21.786 2.256 ( 0.000 0.000 3.342) 3.342 2.401 ( 0.000 0.000 -2.250) 2.250 2.545 ( 0.000 0.000 0.788) 0.788 2.574 ( 0.000 0.000 -0.341) 0.341 3.083 ( 0.000 0.000 -38.014) 38.014 3.253 ( 0.000 0.000 16.824) 16.824 3.724 ( 0.000 0.000 0.130) 0.130 4.260 ( 0.000 0.000 -2.581) 2.581 4.304 ( 0.000 0.000 -5.765) 5.765 4.487 ( 0.000 0.000 12.365) 12.365 4.862 ( 0.000 0.000 -1.840) 1.840 5.795 ( 0.000 0.000 9.119) 9.119 6.133 ( 0.000 0.000 2.225) 2.225 6.193 ( 0.000 0.000 -5.730) 5.730 6.273 ( 0.000 0.000 -2.744) 2.744 7.610 ( 0.000 0.000 2.539) 2.539 7.739 ( 0.000 0.000 -2.035) 2.035 7.776 ( 0.000 0.000 1.765) 1.765 7.861 ( 0.000 0.000 -1.209) 1.209 8.392 ( 0.000 0.000 9.972) 9.972 9.135 ( 0.000 0.000 -19.854) 19.854 10.171 ( 0.000 0.000 16.860) 16.860 10.806 ( 0.000 0.000 -10.092) 10.092 11.317 ( 0.000 0.000 0.648) 0.648 11.355 ( 0.000 0.000 -0.679) 0.679 11.614 ( 0.000 0.000 8.547) 8.547 12.091 ( 0.000 0.000 -11.715) 11.715 12.591 ( 0.000 0.000 9.386) 9.386 12.663 ( 0.000 0.000 0.410) 0.410 12.686 ( 0.000 0.000 -0.384) 0.384 12.846 ( 0.000 0.000 -2.172) 2.172 14.357 ( 0.000 0.000 1.305) 1.305 14.454 ( 0.000 0.000 -2.136) 2.136 15.637 ( 0.000 0.000 3.996) 3.996 15.903 ( 0.000 0.000 -5.505) 5.505 18.022 ( 0.000 0.000 4.192) 4.192 18.222 ( 0.000 0.000 -2.977) 2.977======================= Grid point 266 (75/219) =======================q-point: ( 0.06 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 512Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.789 ( 14.048 4.859 23.910) 28.154 0.934 ( 21.395 -10.865 19.605) 30.986 1.423 ( 32.276 -9.394 31.457) 46.039 1.585 ( 24.379 -0.289 -10.039) 26.366 1.911 ( 4.359 0.409 -19.902) 20.378 2.386 ( 12.595 0.134 2.550) 12.851 2.555 ( 14.777 1.001 -2.591) 15.036 2.681 ( 12.915 1.681 0.223) 13.026 2.710 ( 13.975 -2.864 -0.891) 14.293 3.100 ( 5.416 11.349 -13.707) 18.601 3.252 ( 0.884 -10.945 -5.493) 12.278 3.697 ( -2.005 1.309 -1.191) 2.674 4.145 ( -4.380 12.104 1.838) 13.003 4.237 ( -2.658 2.449 -5.093) 6.245 4.480 ( -1.898 -5.741 13.331) 14.638 4.837 ( -2.766 -6.047 -2.618) 7.147 5.751 ( -4.161 1.311 8.819) 9.839 6.136 ( -4.501 2.902 -5.813) 7.904 6.802 ( 47.798 0.960 -0.417) 47.809 7.352 ( 58.763 26.950 -32.915) 72.545 7.641 ( 4.662 -0.533 4.057) 6.203 7.808 ( 9.534 4.999 -0.756) 10.791 7.884 ( 11.269 -0.896 0.081) 11.305 8.071 ( 15.426 -22.094 -14.211) 30.464 8.479 ( 5.730 -17.753 4.124) 19.105 9.208 ( 6.491 -5.499 -22.212) 23.785 10.162 ( 0.797 5.039 16.290) 17.070 10.773 ( -1.430 8.773 -8.965) 12.625 11.033 ( -24.635 -1.522 17.455) 30.230 11.265 ( -4.968 1.587 -0.243) 5.221 11.593 ( -1.948 0.750 8.529) 8.781 12.098 ( -1.617 -2.692 -14.094) 14.440 12.431 ( -20.018 -0.708 -2.936) 20.245 12.497 ( 0.173 -2.354 -9.908) 10.185 12.859 ( 5.784 -0.704 6.864) 9.004 12.930 ( 4.096 -0.731 2.710) 4.965 14.359 ( -2.020 1.348 -0.765) 2.546 14.371 ( -7.386 -0.946 -0.867) 7.497 15.761 ( 10.832 5.070 -4.369) 12.733 15.904 ( -1.841 -5.304 -6.610) 8.672 17.819 ( -24.690 7.627 19.152) 32.165 17.959 ( -7.171 0.126 2.902) 7.737======================= Grid point 267 (76/219) =======================q-point: ( 0.12 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 512Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.111 ( 20.508 1.171 14.409) 25.091 1.345 ( 16.265 -16.233 19.636) 30.226 1.978 ( 12.899 5.584 -15.703) 21.074 2.133 ( 22.811 -5.882 -11.123) 26.051 2.229 ( 40.681 -3.411 11.500) 42.412 2.660 ( 16.672 3.060 1.089) 16.986 2.869 ( 17.994 1.665 -0.619) 18.081 2.989 ( 19.269 -1.029 1.123) 19.329 3.080 ( 21.727 -2.927 -0.297) 21.925 3.177 ( 9.248 6.950 9.735) 15.119 3.442 ( 13.161 -7.945 -21.406) 26.355 3.656 ( -0.636 1.523 -4.047) 4.371 4.023 ( -1.407 10.620 -0.186) 10.714 4.133 ( -3.929 10.686 -5.926) 12.835 4.510 ( 0.522 -10.100 13.493) 16.863 4.818 ( -3.980 -8.872 -2.044) 9.937 5.629 ( -7.441 2.628 8.204) 11.383 5.991 ( -8.381 4.894 -5.301) 11.059 7.496 ( 13.575 3.034 -2.240) 14.089 7.702 ( 11.269 7.510 -3.038) 13.878 7.999 ( 25.949 13.850 -0.958) 29.430 8.062 ( 25.390 -2.495 -0.269) 25.513 8.218 ( 22.801 -7.257 0.227) 23.929 8.397 ( 15.343 8.443 0.640) 17.524 8.796 ( 12.817 -17.689 -6.933) 22.918 9.409 ( 8.630 -6.498 -22.467) 24.929 10.164 ( 4.021 8.191 14.075) 16.774 10.551 ( -14.854 7.431 14.110) 21.794 10.754 ( -5.595 3.888 -1.849) 7.060 11.122 ( -8.510 2.154 -4.075) 9.678 11.536 ( -4.206 -0.993 7.386) 8.557 12.037 ( -7.447 -4.988 -12.772) 15.604 12.080 ( -15.038 -1.001 2.833) 15.335 12.593 ( 6.827 -2.486 -19.145) 20.477 12.856 ( -4.881 0.467 10.973) 12.019 12.993 ( 1.975 -1.867 3.439) 4.383 14.141 ( -15.120 -1.057 1.833) 15.267 14.283 ( -8.837 -1.018 -4.096) 9.793 15.834 ( -2.454 1.118 -2.018) 3.368 15.944 ( 5.452 1.062 -12.797) 13.950 17.410 ( -15.999 2.870 21.480) 26.937 17.795 ( -9.268 1.868 -0.579) 9.473======================= Grid point 268 (77/219) =======================q-point: ( 0.19 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 512Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.498 ( 19.650 -2.415 7.983) 21.346 1.735 ( 15.412 -13.493 13.527) 24.547 2.168 ( 12.163 5.706 -14.766) 19.963 2.525 ( 13.659 -9.605 -15.437) 22.741 2.760 ( 13.335 10.905 9.866) 19.851 3.057 ( 24.107 9.584 -3.343) 26.156 3.176 ( 14.436 -9.571 7.987) 19.073 3.358 ( 17.856 0.889 2.409) 18.040 3.411 ( 23.153 3.825 7.018) 24.493 3.508 ( 17.712 1.019 -3.323) 18.049 3.620 ( 5.836 2.223 2.230) 6.632 3.837 ( 16.028 -5.361 -11.022) 20.178 3.982 ( -1.990 5.090 -4.158) 6.867 4.060 ( 10.505 5.152 -7.786) 14.054 4.626 ( 6.323 -9.687 8.632) 14.433 4.789 ( -4.042 -7.953 -0.039) 8.921 5.452 ( -9.119 3.317 7.262) 12.120 5.777 ( -10.833 5.427 -4.684) 12.990 7.566 ( -0.215 -0.785 2.435) 2.567 7.812 ( 3.170 1.150 -4.715) 5.797 8.309 ( 17.477 4.011 0.504) 17.939 8.505 ( 18.694 2.075 -9.553) 21.096 8.568 ( 15.255 8.946 5.686) 18.576 8.832 ( 26.813 6.425 -0.083) 27.572 9.188 ( 20.844 -11.605 3.239) 24.076 9.557 ( 5.531 -1.803 -12.665) 13.937 10.197 ( -0.125 6.207 8.842) 10.804 10.319 ( -2.036 5.761 14.185) 15.445 10.615 ( -5.807 8.771 -3.519) 11.092 10.965 ( -5.370 4.080 -4.991) 8.390 11.439 ( -7.754 -4.698 0.868) 9.108 11.869 ( -12.075 -4.968 -7.880) 15.251 11.949 ( -1.232 -2.366 9.876) 10.230 12.656 ( -8.198 3.028 4.878) 10.009 12.771 ( 2.827 -2.391 -12.370) 12.913 13.031 ( 1.192 -1.550 -0.551) 2.031 13.835 ( -17.234 0.225 4.882) 17.913 14.041 ( -17.853 -4.017 -4.999) 18.970 15.752 ( -4.445 1.929 0.188) 4.849 16.007 ( 2.031 2.711 -14.144) 14.544 17.148 ( -11.454 1.049 18.432) 21.727 17.607 ( -9.173 2.405 -3.069) 9.967======================= Grid point 269 (78/219) =======================q-point: ( 0.25 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 512Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.855 ( 15.913 -4.267 4.018) 16.958 2.044 ( 10.391 -8.370 6.106) 14.674 2.383 ( 13.518 3.595 -8.695) 16.470 2.775 ( 6.252 -8.833 -14.771) 18.311 2.830 ( 5.342 9.112 8.678) 13.670 3.182 ( 0.970 8.408 -5.087) 9.875 3.436 ( 5.865 4.870 2.835) 8.134 3.571 ( 7.085 10.406 3.237) 12.999 3.653 ( 8.663 1.574 5.809) 10.549 3.793 ( 11.413 8.133 -4.851) 14.830 3.986 ( 27.688 -4.119 5.059) 28.446 4.028 ( 10.445 -5.069 0.162) 11.612 4.155 ( 15.634 -7.812 -2.698) 17.684 4.420 ( 19.939 -4.676 -6.860) 21.598 4.770 ( -1.068 -5.964 3.885) 7.197 4.866 ( 12.894 -6.930 -1.034) 14.674 5.286 ( -4.697 3.133 6.128) 8.333 5.547 ( -9.667 3.992 -3.724) 11.102 7.546 ( -2.521 -2.545 4.091) 5.437 7.826 ( -1.072 -0.614 -5.160) 5.306 8.603 ( 13.459 -2.606 2.164) 13.879 8.754 ( 15.991 11.943 1.390) 20.007 8.868 ( 17.928 2.917 -5.597) 19.007 9.165 ( 13.827 9.960 -4.644) 17.662 9.603 ( 17.028 -3.957 4.066) 17.949 9.678 ( 6.824 0.882 -2.705) 7.393 10.082 ( -4.558 4.231 3.704) 7.238 10.378 ( 8.100 9.618 6.843) 14.316 10.489 ( -0.679 5.903 0.371) 5.954 10.866 ( -3.466 3.247 3.376) 5.828 11.323 ( -6.239 -2.270 -6.575) 9.344 11.646 ( -15.119 -9.751 -8.343) 19.831 12.007 ( 3.159 -2.269 15.824) 16.295 12.391 ( -15.012 5.057 12.371) 20.100 12.816 ( -2.061 0.730 -18.131) 18.262 13.051 ( -0.745 -1.181 -9.996) 10.093 13.514 ( -15.347 1.620 7.570) 17.189 13.709 ( -18.503 -5.465 -0.584) 19.302 15.661 ( -3.979 1.747 1.686) 4.661 15.994 ( -1.163 3.628 -14.535) 15.026 16.954 ( -8.924 0.311 16.654) 18.897 17.428 ( -8.264 2.643 -4.317) 9.691======================= Grid point 270 (79/219) =======================q-point: ( 0.31 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 512Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.131 ( 10.705 -4.556 1.770) 11.768 2.224 ( 5.415 -4.294 1.435) 7.059 2.607 ( 10.976 2.875 -3.340) 11.828 2.779 ( -0.970 4.152 -0.100) 4.265 3.005 ( 9.147 -4.251 -5.865) 11.668 3.116 ( -0.926 7.868 -5.563) 9.681 3.422 ( -0.730 6.460 3.001) 7.161 3.543 ( -1.009 8.738 -0.145) 8.797 3.821 ( 6.816 -1.979 7.186) 10.100 3.959 ( 9.559 8.747 -2.114) 13.128 4.197 ( 5.483 -2.790 0.070) 6.152 4.370 ( 4.601 -9.959 -3.471) 11.506 4.565 ( 23.490 -0.713 3.411) 23.747 4.704 ( 10.584 -0.276 -0.435) 10.596 4.821 ( -0.141 -8.441 5.645) 10.156 5.095 ( 5.840 -1.648 -6.033) 8.557 5.333 ( 9.975 1.176 3.719) 10.710 5.492 ( 9.767 -3.004 -2.495) 10.519 7.509 ( -3.396 -4.349 4.778) 7.299 7.795 ( -2.563 -1.551 -5.039) 5.862 8.817 ( 8.361 0.653 3.489) 9.083 9.020 ( 18.175 9.096 -1.373) 20.370 9.184 ( 17.424 2.589 -4.668) 18.224 9.238 ( 2.191 12.457 -5.757) 13.897 9.687 ( -2.707 6.212 1.408) 6.921 9.901 ( 12.176 4.689 1.192) 13.102 10.051 ( 4.040 -0.853 5.175) 6.620 10.524 ( 12.950 5.262 -6.965) 15.617 10.537 ( 7.694 5.887 12.797) 16.050 10.804 ( -1.892 -2.016 8.394) 8.838 11.232 ( -3.554 2.300 -10.158) 11.005 11.447 ( -12.302 -12.207 -7.940) 19.062 11.970 ( -11.521 2.058 11.908) 16.697 12.117 ( -8.470 0.605 15.231) 17.438 12.611 ( -17.704 5.978 -14.534) 23.673 12.957 ( -11.243 -3.376 -17.390) 20.981 13.334 ( -2.168 0.182 7.489) 7.799 13.461 ( -9.961 -1.747 4.119) 10.920 15.579 ( -4.119 1.469 2.353) 4.966 15.941 ( -1.719 3.507 -14.643) 15.154 16.808 ( -6.604 -0.246 15.627) 16.967 17.270 ( -7.006 2.318 -4.593) 8.692======================= Grid point 271 (80/219) =======================q-point: ( 0.38 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 512Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.309 ( 4.426 -4.664 0.665) 6.464 2.314 ( 3.984 -1.537 0.935) 4.371 2.700 ( 0.648 7.110 -1.026) 7.212 2.750 ( 0.884 0.966 -3.407) 3.649 3.102 ( 2.718 2.325 -1.479) 3.870 3.190 ( 8.089 -0.634 -4.722) 9.388 3.388 ( 1.168 4.373 2.482) 5.162 3.495 ( 0.611 2.943 -2.195) 3.722 3.909 ( 1.374 -0.520 5.171) 5.376 4.003 ( 0.627 9.233 -0.606) 9.274 4.221 ( -2.736 1.112 1.053) 3.135 4.408 ( -3.043 -7.080 -3.282) 8.376 4.847 ( 2.984 -7.321 2.628) 8.331 4.922 ( 7.203 -12.602 0.997) 14.549 4.945 ( 15.869 7.171 2.951) 17.662 5.102 ( 0.393 5.653 -2.448) 6.173 5.623 ( 16.621 -2.516 2.273) 16.963 5.810 ( 16.368 -5.482 -3.754) 17.666 7.471 ( -3.452 -4.971 5.177) 7.964 7.755 ( -2.537 -1.785 -4.740) 5.665 8.876 ( 0.010 9.468 1.918) 9.660 9.133 ( -1.943 7.414 -7.834) 10.960 9.349 ( 17.229 6.108 1.147) 18.316 9.484 ( 15.495 3.469 -2.947) 16.149 9.596 ( 0.177 6.110 4.749) 7.741 10.029 ( 7.246 5.257 -8.304) 12.211 10.198 ( 6.721 -5.547 15.214) 17.533 10.637 ( 6.649 4.548 8.286) 11.557 10.759 ( 10.871 4.787 -4.822) 12.819 10.875 ( 9.293 -1.392 7.281) 11.887 11.144 ( -7.532 -2.304 -13.376) 15.522 11.339 ( -3.571 -6.313 -6.721) 9.888 11.667 ( -15.386 2.917 9.279) 18.202 11.969 ( -11.121 -2.693 14.291) 18.308 12.192 ( -19.296 6.505 -7.776) 21.797 12.703 ( -16.740 -2.720 -13.090) 21.423 13.317 ( -4.748 1.220 3.466) 6.004 13.359 ( 1.514 0.571 1.633) 2.299 15.485 ( -4.560 2.285 3.361) 6.108 15.902 ( -0.819 1.874 -15.379) 15.515 16.711 ( -3.996 -0.685 14.962) 15.502 17.145 ( -4.995 1.293 -4.287) 6.708======================= Grid point 272 (81/219) =======================q-point: ( 0.44 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 512Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.350 ( 0.807 -1.396 1.052) 1.925 2.408 ( 2.564 -1.923 -0.890) 3.326 2.646 ( -1.143 4.343 0.644) 4.537 2.761 ( 0.291 0.505 -3.319) 3.370 3.124 ( 0.722 2.478 0.313) 2.600 3.292 ( 2.038 0.787 -4.566) 5.062 3.450 ( 7.174 -1.350 2.794) 7.816 3.557 ( 5.380 -1.517 -3.661) 6.682 3.836 ( -6.182 8.807 1.205) 10.828 3.936 ( -3.503 2.354 -1.503) 4.480 4.152 ( -2.894 -0.900 5.092) 5.926 4.387 ( -2.275 -4.195 -2.932) 5.601 4.940 ( 2.699 -4.661 2.489) 5.933 5.057 ( -1.474 -12.063 -0.507) 12.163 5.112 ( 5.705 5.998 2.234) 8.574 5.148 ( 8.993 7.243 -0.048) 11.547 5.893 ( 9.827 -1.970 2.068) 10.234 6.090 ( 9.838 -3.407 -4.230) 11.238 7.438 ( -2.398 -3.347 5.553) 6.913 7.724 ( -1.561 -1.168 -4.446) 4.854 8.761 ( -4.197 7.839 3.511) 9.560 9.062 ( -1.474 5.443 -8.069) 9.844 9.519 ( 2.934 1.430 4.109) 5.248 9.694 ( 12.065 1.766 -4.747) 13.085 9.732 ( 10.493 4.710 7.443) 13.700 10.149 ( 7.973 2.003 -7.331) 11.015 10.364 ( 8.290 -5.220 10.852) 14.620 10.710 ( 2.620 3.071 3.850) 5.579 10.885 ( 3.502 5.690 -3.729) 7.651 10.934 ( -12.315 -7.481 -10.641) 17.913 11.057 ( 7.622 4.090 4.491) 9.746 11.361 ( -5.239 1.313 -1.626) 5.640 11.431 ( -4.327 -3.679 4.212) 7.071 11.769 ( -5.964 -2.972 3.649) 7.598 11.915 ( -7.476 3.770 3.231) 8.975 12.388 ( -16.942 -0.216 -8.490) 18.951 13.224 ( -3.526 1.495 3.458) 5.160 13.390 ( 1.282 0.511 -2.438) 2.801 15.396 ( -3.143 2.007 4.791) 6.071 15.885 ( -0.365 0.552 -16.468) 16.481 16.664 ( -1.620 -0.616 14.543) 14.646 17.071 ( -2.476 0.327 -3.849) 4.588======================= Grid point 273 (82/219) =======================q-point: (-0.50 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.362 ( 0.000 -0.000 0.819) 0.819 2.435 ( 0.000 -0.000 -1.924) 1.924 2.625 ( 0.000 -0.000 2.096) 2.096 2.760 ( 0.000 0.000 -2.664) 2.664 3.120 ( 0.000 -0.000 0.489) 0.489 3.300 ( 0.000 -0.000 -4.124) 4.124 3.621 ( -0.001 0.000 -1.189) 1.189 3.622 ( 0.001 -0.000 -0.969) 0.969 3.669 ( 0.000 -0.000 1.874) 1.874 3.872 ( 0.000 -0.000 -4.199) 4.199 4.132 ( 0.000 -0.000 6.946) 6.946 4.377 ( 0.000 -0.000 -2.791) 2.791 4.981 ( 0.000 -0.000 2.271) 2.271 5.066 ( 0.000 0.000 0.547) 0.547 5.161 ( 0.000 -0.000 1.716) 1.716 5.211 ( 0.000 0.000 -0.273) 0.273 5.993 ( 0.000 -0.000 2.072) 2.072 6.195 ( 0.000 -0.000 -4.405) 4.405 7.424 ( 0.000 -0.000 5.752) 5.752 7.712 ( 0.000 -0.000 -4.319) 4.319 8.693 ( 0.000 -0.000 4.626) 4.626 9.030 ( 0.000 -0.000 -8.158) 8.158 9.540 ( 0.000 -0.000 4.408) 4.408 9.815 ( 0.000 0.000 9.895) 9.895 9.819 ( 0.000 -0.000 -6.125) 6.125 10.256 ( 0.000 -0.000 -5.942) 5.942 10.513 ( 0.000 -0.000 4.429) 4.429 10.684 ( 0.000 -0.000 1.066) 1.066 10.749 ( 0.000 -0.000 -5.142) 5.142 10.947 ( 0.000 -0.000 -8.118) 8.118 11.136 ( 0.000 -0.000 8.047) 8.047 11.233 ( 0.000 -0.000 2.694) 2.694 11.413 ( 0.000 -0.000 6.097) 6.097 11.773 ( 0.000 -0.000 -5.036) 5.036 11.877 ( 0.000 -0.000 4.207) 4.207 12.165 ( 0.000 -0.000 -5.396) 5.396 13.184 ( 0.000 -0.000 3.571) 3.571 13.400 ( 0.000 -0.000 -3.799) 3.799 15.359 ( 0.000 -0.000 5.474) 5.474 15.880 ( 0.000 -0.000 -16.928) 16.928 16.651 ( 0.000 -0.000 14.365) 14.365 17.047 ( 0.000 -0.000 -3.657) 3.657======================= Grid point 283 (83/219) =======================q-point: ( 0.06 0.06 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 272Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.161 ( 21.810 0.000 16.184) 27.159 1.207 ( 15.931 0.000 21.514) 26.770 2.035 ( 10.793 0.000 -14.949) 18.438 2.073 ( 23.775 0.000 -12.653) 26.932 2.209 ( 44.222 0.000 12.589) 45.980 2.680 ( 17.761 0.000 2.125) 17.888 2.882 ( 17.140 0.000 -1.645) 17.218 2.987 ( 18.589 0.000 -0.291) 18.591 3.058 ( 22.565 0.000 -0.423) 22.569 3.227 ( 4.746 0.000 11.472) 12.415 3.382 ( 17.461 0.000 -25.346) 30.778 3.665 ( -1.326 -0.000 -2.821) 3.117 4.108 ( -4.236 -0.000 0.130) 4.238 4.184 ( -2.822 -0.000 -4.167) 5.033 4.449 ( 0.827 0.000 12.471) 12.499 4.758 ( -3.437 -0.000 -1.859) 3.907 5.644 ( -7.510 -0.000 8.458) 11.311 6.019 ( -8.682 -0.000 -5.567) 10.314 7.514 ( 9.939 0.000 -1.684) 10.081 7.757 ( 5.465 0.000 -5.267) 7.589 8.020 ( 46.080 0.000 8.361) 46.833 8.100 ( 11.832 0.000 -0.443) 11.840 8.172 ( 18.525 0.000 -4.597) 19.087 8.555 ( 10.134 0.000 11.593) 15.398 8.587 ( 26.768 0.000 -24.331) 36.174 9.369 ( 10.663 0.000 -22.892) 25.254 10.212 ( 3.337 0.000 15.292) 15.652 10.591 ( -19.242 -0.000 21.461) 28.824 10.779 ( -1.850 -0.000 -8.076) 8.286 11.134 ( -8.651 -0.000 -4.418) 9.713 11.530 ( -5.258 -0.000 6.790) 8.587 12.007 ( -7.507 -0.000 -12.192) 14.318 12.075 ( -14.563 -0.000 2.689) 14.809 12.578 ( 7.337 0.000 -19.613) 20.941 12.859 ( -4.561 -0.000 11.006) 11.914 12.982 ( 2.124 0.000 3.795) 4.349 14.135 ( -14.838 -0.000 1.892) 14.958 14.277 ( -9.651 -0.000 -4.177) 10.516 15.840 ( -3.152 -0.000 -1.988) 3.726 15.950 ( 6.688 0.000 -13.013) 14.631 17.428 ( -17.314 -0.000 21.924) 27.936 17.805 ( -9.289 -0.000 -0.634) 9.311======================= Grid point 284 (84/219) =======================q-point: ( 0.12 0.06 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 512Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.503 ( 18.285 2.774 12.218) 22.166 1.604 ( 19.342 -8.448 12.087) 24.322 2.235 ( 12.341 4.825 -14.055) 19.316 2.427 ( 12.652 -6.240 -17.796) 22.709 2.883 ( 17.177 9.856 11.644) 22.974 3.048 ( 18.383 -9.775 7.179) 22.023 3.153 ( 20.956 4.680 -2.367) 21.602 3.358 ( 20.143 -0.213 0.604) 20.154 3.455 ( 21.464 2.458 7.234) 22.784 3.504 ( 21.818 -0.820 -2.688) 21.998 3.640 ( 2.751 0.935 2.398) 3.767 3.771 ( 16.168 -3.955 -17.199) 23.934 4.023 ( -2.990 2.439 -0.819) 3.945 4.140 ( 2.811 5.021 -6.055) 8.353 4.540 ( 8.014 -4.396 8.868) 12.735 4.715 ( -2.374 -4.071 -0.100) 4.714 5.478 ( -9.405 1.150 7.631) 12.166 5.820 ( -11.622 1.920 -4.986) 12.791 7.559 ( -0.853 -0.296 2.722) 2.867 7.822 ( 1.764 0.477 -4.938) 5.266 8.330 ( 13.409 0.501 0.491) 13.427 8.521 ( 18.383 0.769 -10.155) 21.016 8.662 ( 16.427 5.305 5.536) 18.129 8.921 ( 29.756 9.620 2.214) 31.351 9.051 ( 24.277 -12.051 1.797) 27.163 9.537 ( 6.648 -1.216 -15.212) 16.646 10.240 ( -4.932 1.645 11.099) 12.256 10.370 ( 1.267 2.617 16.810) 17.060 10.687 ( -7.018 3.346 -6.154) 9.916 10.999 ( -4.470 1.713 -4.716) 6.719 11.400 ( -7.923 -1.816 -0.513) 8.145 11.814 ( -13.820 -3.033 -10.408) 17.565 11.942 ( -0.301 0.040 12.408) 12.411 12.681 ( -5.493 1.162 0.771) 5.667 12.753 ( 1.837 -0.772 -9.391) 9.601 13.017 ( 1.557 -0.689 0.858) 1.907 13.840 ( -15.844 0.417 4.837) 16.571 14.006 ( -19.003 -1.735 -4.671) 19.645 15.767 ( -4.409 0.666 0.219) 4.465 16.027 ( 1.960 0.791 -14.953) 15.102 17.158 ( -11.963 0.503 19.162) 22.595 17.626 ( -9.305 0.839 -3.235) 9.887======================= Grid point 285 (85/219) =======================q-point: ( 0.19 0.06 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 512Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.823 ( 15.595 -1.474 6.128) 16.821 1.963 ( 13.941 -5.516 6.555) 16.363 2.438 ( 12.779 5.856 -11.065) 17.889 2.664 ( 8.343 -9.304 -16.334) 20.567 2.946 ( 2.187 9.586 10.146) 14.128 3.216 ( 0.983 -2.186 0.794) 2.525 3.515 ( 10.511 8.858 -1.694) 13.850 3.658 ( 6.715 3.517 3.495) 8.347 3.684 ( 8.077 4.107 6.405) 11.097 3.858 ( 12.582 2.813 -4.580) 13.682 3.930 ( 12.875 -4.911 -5.830) 14.962 4.000 ( 21.423 -0.459 6.928) 22.520 4.064 ( 13.357 -6.805 -2.994) 15.286 4.393 ( 20.142 -0.841 -3.160) 20.405 4.713 ( 0.784 -3.298 2.985) 4.516 4.793 ( 13.942 -5.517 -1.642) 15.084 5.314 ( -5.387 1.700 6.211) 8.396 5.584 ( -11.299 2.257 -3.916) 12.170 7.523 ( -3.199 -1.422 4.386) 5.612 7.820 ( -1.587 -0.302 -5.495) 5.728 8.578 ( 12.268 -1.649 2.723) 12.674 8.836 ( 16.024 2.275 -9.674) 18.855 8.924 ( 16.952 6.625 3.812) 18.595 9.278 ( 15.150 9.003 -2.536) 17.804 9.546 ( 19.067 -5.492 4.346) 20.313 9.679 ( 9.475 -0.438 -3.746) 10.198 10.115 ( -4.512 1.743 4.064) 6.317 10.470 ( 8.143 6.041 12.277) 15.923 10.548 ( -3.135 4.041 -5.512) 7.519 10.898 ( -5.845 2.179 5.525) 8.333 11.303 ( -3.289 -1.130 -10.040) 10.626 11.544 ( -17.104 -7.410 -7.908) 20.248 11.990 ( 2.966 -0.800 16.342) 16.628 12.440 ( -14.941 3.149 12.083) 19.472 12.824 ( 0.700 0.565 -19.738) 19.759 13.038 ( -1.060 -0.951 -7.736) 7.866 13.542 ( -15.364 3.308 5.936) 16.799 13.647 ( -18.020 -5.301 1.114) 18.816 15.676 ( -4.517 0.867 1.764) 4.926 16.023 ( -1.404 1.533 -15.534) 15.672 16.959 ( -9.083 0.445 17.485) 19.708 17.452 ( -8.490 1.434 -4.613) 9.768======================= Grid point 286 (86/219) =======================q-point: ( 0.25 0.06 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 512Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.087 ( 10.873 -3.127 2.191) 11.524 2.184 ( 7.572 -2.639 1.627) 8.182 2.644 ( 11.372 3.777 -5.562) 13.211 2.797 ( 0.271 -1.689 -6.128) 6.363 2.983 ( 7.674 0.960 1.446) 7.868 3.186 ( -2.179 3.671 -4.359) 6.101 3.506 ( -1.481 8.233 1.362) 8.475 3.643 ( -3.372 8.137 -0.833) 8.847 3.785 ( 4.761 -3.731 10.073) 11.750 4.040 ( 9.715 5.241 -3.141) 11.477 4.184 ( 10.414 -1.700 -2.929) 10.951 4.245 ( 6.205 -9.169 -3.234) 11.534 4.563 ( 21.490 0.223 5.423) 22.165 4.688 ( 11.170 -3.527 2.486) 11.975 4.740 ( -0.807 -4.293 4.502) 6.273 5.086 ( 13.176 -0.259 -7.900) 15.364 5.347 ( 8.511 1.253 3.071) 9.135 5.459 ( 3.666 -2.610 -1.721) 4.818 7.467 ( -3.847 -2.930 5.242) 7.132 7.780 ( -2.802 -1.039 -5.569) 6.320 8.806 ( 10.910 -1.555 3.388) 11.530 9.093 ( 12.144 2.638 -7.965) 14.760 9.218 ( 16.941 5.179 -0.449) 17.721 9.394 ( 6.392 12.582 -3.397) 14.516 9.737 ( 0.281 2.291 2.360) 3.301 9.931 ( 14.810 0.508 9.299) 17.495 10.065 ( 0.564 3.240 -2.487) 4.123 10.565 ( 8.580 2.527 -6.758) 11.211 10.605 ( 8.827 5.151 11.106) 15.093 10.788 ( -3.945 -0.676 7.803) 8.770 11.249 ( -4.392 0.104 -11.727) 12.522 11.317 ( -10.302 -9.521 -5.675) 15.132 11.984 ( -6.459 0.525 14.841) 16.195 12.130 ( -14.328 1.464 12.289) 18.933 12.685 ( -15.341 6.728 -15.021) 22.500 12.910 ( -13.378 -4.922 -16.646) 21.916 13.339 ( -2.204 0.590 6.884) 7.252 13.442 ( -7.448 -1.543 4.811) 9.000 15.592 ( -3.929 0.929 2.572) 4.787 15.971 ( -2.599 1.803 -15.365) 15.688 16.808 ( -6.808 0.202 16.380) 17.740 17.292 ( -7.554 1.547 -4.974) 9.176======================= Grid point 287 (87/219) =======================q-point: ( 0.31 0.06 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 512Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.263 ( 5.802 -3.335 0.195) 6.696 2.299 ( 4.319 -1.117 0.379) 4.477 2.759 ( -2.334 2.509 -1.144) 3.612 2.776 ( 3.970 3.994 -2.540) 6.178 3.127 ( 3.120 1.474 -1.620) 3.812 3.181 ( 6.992 -0.323 -6.698) 9.688 3.440 ( -0.837 4.807 2.127) 5.323 3.541 ( -2.551 4.398 -0.333) 5.095 3.879 ( 2.863 -3.254 8.218) 9.291 4.103 ( 0.077 6.672 -2.832) 7.248 4.263 ( -1.119 5.507 -0.429) 5.636 4.331 ( -1.033 -5.060 -1.741) 5.450 4.727 ( 2.445 -13.003 0.976) 13.267 4.778 ( 0.735 -11.126 0.343) 11.155 5.014 ( 16.516 5.051 5.391) 18.093 5.216 ( 7.984 12.018 -2.125) 14.584 5.593 ( 15.767 -2.705 0.980) 16.027 5.735 ( 15.809 -7.532 -3.348) 17.828 7.420 ( -2.980 -3.783 5.749) 7.500 7.737 ( -2.358 -1.389 -5.350) 6.009 8.957 ( 3.352 4.893 0.421) 5.946 9.174 ( -2.494 0.483 -8.070) 8.460 9.440 ( 12.949 9.010 1.588) 15.855 9.550 ( 14.287 7.220 -1.853) 16.114 9.663 ( -0.778 5.516 5.423) 7.774 10.091 ( 4.079 3.395 -6.842) 8.659 10.138 ( 7.320 -2.506 14.321) 16.278 10.689 ( 6.077 4.332 7.717) 10.735 10.782 ( 5.985 -0.741 -4.722) 7.660 10.859 ( 13.471 -2.227 1.678) 13.756 11.114 ( -9.533 -1.556 -9.104) 13.274 11.282 ( 1.136 -3.963 -5.915) 7.210 11.706 ( -16.875 3.976 10.029) 20.029 11.929 ( -12.293 -4.203 13.787) 18.944 12.271 ( -19.754 6.974 -7.830) 22.364 12.666 ( -15.418 -3.726 -12.644) 20.284 13.331 ( -3.665 1.220 2.973) 4.874 13.364 ( 1.278 0.143 1.570) 2.029 15.513 ( -3.650 2.400 3.224) 5.429 15.918 ( -1.929 1.083 -15.316) 15.475 16.704 ( -4.303 -0.523 15.412) 16.010 17.157 ( -5.849 0.827 -4.658) 7.522======================= Grid point 288 (88/219) =======================q-point: ( 0.38 0.06 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 512Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.336 ( 1.581 -1.040 0.604) 1.986 2.386 ( 3.474 -1.892 -0.639) 4.007 2.694 ( -2.545 3.659 -0.336) 4.470 2.776 ( -0.301 2.437 -2.543) 3.535 3.158 ( 1.359 3.244 -0.837) 3.616 3.294 ( 2.349 -0.488 -5.016) 5.560 3.439 ( 2.934 -0.455 2.956) 4.190 3.542 ( 3.857 -1.154 -1.849) 4.430 3.899 ( -2.961 2.377 2.986) 4.831 3.984 ( -6.644 6.063 -1.802) 9.173 4.164 ( -3.492 2.886 3.365) 5.643 4.338 ( -0.153 -4.122 -2.121) 4.639 4.857 ( 3.149 -9.960 -0.774) 10.475 4.867 ( -0.197 -15.443 -0.325) 15.448 5.176 ( 5.379 6.370 6.125) 10.345 5.320 ( 10.424 16.245 -0.884) 19.322 5.865 ( 10.241 -2.948 1.111) 10.715 6.034 ( 10.542 -6.475 -4.127) 13.042 7.403 ( -0.748 -2.788 5.967) 6.629 7.711 ( -1.001 -1.029 -4.894) 5.101 8.848 ( -7.523 7.273 2.123) 10.677 9.104 ( -4.078 1.939 -8.501) 9.625 9.546 ( 2.129 3.336 6.110) 7.280 9.705 ( 8.595 0.942 0.822) 8.686 9.793 ( 9.766 4.983 2.968) 11.359 10.176 ( 6.793 2.613 -7.054) 10.136 10.307 ( 9.923 -4.391 9.649) 14.520 10.742 ( 0.997 1.861 2.431) 3.219 10.845 ( -8.091 -7.093 -10.153) 14.794 10.954 ( 0.070 5.866 -3.871) 7.029 11.098 ( 9.494 2.893 3.559) 10.543 11.368 ( 2.278 -1.565 -6.548) 7.107 11.400 ( -13.051 -0.070 11.581) 17.448 11.723 ( -6.235 -4.913 5.391) 9.596 11.965 ( -9.231 4.804 1.162) 10.471 12.380 ( -15.968 -1.150 -8.527) 18.139 13.246 ( -3.555 2.196 3.004) 5.147 13.391 ( 0.770 -0.321 -2.233) 2.384 15.431 ( -2.780 3.952 4.270) 6.448 15.889 ( -0.934 0.137 -15.891) 15.919 16.653 ( -1.761 -1.166 14.654) 14.806 17.070 ( -3.186 -0.329 -4.079) 5.186======================= Grid point 289 (89/219) =======================q-point: ( 0.44 0.06 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 512Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.360 ( 0.730 -0.369 0.733) 1.098 2.433 ( 0.775 -0.272 -1.974) 2.138 2.638 ( -1.406 2.210 1.891) 3.230 2.761 ( -0.449 0.218 -2.183) 2.239 3.137 ( -1.080 2.801 0.404) 3.029 3.298 ( -0.879 -0.408 -4.264) 4.373 3.554 ( 5.697 -7.008 1.928) 9.235 3.624 ( 1.044 -1.402 -3.146) 3.599 3.716 ( -10.415 5.501 1.213) 11.841 3.877 ( -2.145 0.805 -4.504) 5.054 4.145 ( 1.927 2.181 7.008) 7.588 4.375 ( 2.572 -0.336 -2.332) 3.488 4.925 ( -1.846 -11.525 -0.100) 11.672 4.939 ( -1.158 -11.242 -0.448) 11.310 5.193 ( 0.827 6.694 6.233) 9.184 5.368 ( 4.362 17.026 -1.529) 17.642 5.985 ( 0.828 -1.500 1.717) 2.425 6.176 ( 1.143 -3.417 -4.357) 5.654 7.425 ( 2.211 0.097 5.720) 6.134 7.712 ( 0.722 -0.073 -4.338) 4.398 8.698 ( -4.770 0.888 4.377) 6.534 9.020 ( -4.065 -1.676 -8.040) 9.164 9.548 ( -0.483 1.363 4.353) 4.587 9.776 ( -2.836 -3.881 5.029) 6.957 9.850 ( -1.891 2.432 -1.147) 3.287 10.255 ( -1.772 -0.240 -6.174) 6.427 10.517 ( 6.473 0.636 4.279) 7.786 10.689 ( -4.386 0.801 0.898) 4.548 10.735 ( 2.123 -2.185 -4.671) 5.577 10.961 ( 0.705 2.283 -7.887) 8.241 11.137 ( -5.204 0.197 8.233) 9.742 11.227 ( -2.918 -1.068 2.571) 4.033 11.406 ( 5.230 -1.045 6.338) 8.283 11.782 ( 1.573 1.383 -4.683) 5.130 11.876 ( 0.094 -0.142 3.886) 3.889 12.159 ( -1.942 -1.154 -5.719) 6.149 13.192 ( -0.702 1.280 3.357) 3.661 13.395 ( -0.619 -0.863 -3.571) 3.726 15.378 ( -0.331 3.282 5.076) 6.054 15.878 ( -0.375 -0.360 -16.527) 16.535 16.646 ( 0.153 -0.945 14.301) 14.333 17.041 ( -0.412 -0.968 -3.668) 3.816======================= Grid point 290 (90/219) =======================q-point: (-0.50 0.06 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 512Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.366 ( 0.008 1.197 0.503) 1.299 2.424 ( -1.366 0.829 -1.872) 2.461 2.612 ( -1.011 -0.968 2.665) 3.010 2.756 ( -0.409 -0.601 -2.228) 2.344 3.106 ( -1.348 -0.537 0.773) 1.644 3.278 ( -2.250 -1.594 -4.388) 5.182 3.470 ( -10.495 2.158 1.694) 10.848 3.576 ( -5.085 1.653 -4.822) 7.200 3.720 ( 4.717 -10.839 2.089) 12.004 3.911 ( 3.073 -2.384 -4.399) 5.872 4.183 ( 3.902 4.163 7.202) 9.188 4.431 ( 4.038 3.373 -2.642) 5.887 4.927 ( -4.476 -9.563 0.542) 10.573 4.943 ( -5.138 -11.002 0.452) 12.151 5.136 ( -2.637 6.618 4.867) 8.628 5.292 ( -1.531 17.631 -1.868) 17.796 5.908 ( -9.153 0.592 2.284) 9.452 6.111 ( -8.839 0.201 -4.254) 9.811 7.478 ( 4.161 3.419 5.059) 7.389 7.737 ( 2.166 1.077 -3.979) 4.657 8.674 ( -0.021 -7.268 4.252) 8.420 8.986 ( -2.298 -7.518 -7.411) 10.804 9.512 ( -3.420 -0.021 2.077) 4.002 9.633 ( -14.369 -7.217 0.320) 16.083 9.722 ( -9.933 1.348 2.186) 10.260 10.131 ( -8.773 -1.054 -7.731) 11.741 10.419 ( -7.966 4.179 11.005) 14.214 10.678 ( -3.433 -2.470 3.328) 5.381 10.824 ( -3.437 -4.649 -2.332) 6.234 11.006 ( -7.516 -3.112 5.820) 10.003 11.016 ( 11.993 4.969 -9.414) 16.036 11.344 ( 8.700 -1.754 -3.114) 9.405 11.473 ( 1.864 3.696 3.212) 5.239 11.794 ( 4.784 1.561 2.607) 5.667 11.880 ( 6.007 -2.498 4.454) 7.884 12.384 ( 17.909 -0.970 -8.852) 20.001 13.213 ( 3.058 -0.563 3.580) 4.742 13.380 ( -1.621 -1.221 -2.324) 3.085 15.389 ( 2.771 0.870 4.714) 5.537 15.876 ( -0.400 -1.104 -16.345) 16.387 16.667 ( 1.874 -0.005 14.262) 14.385 17.062 ( 1.970 -1.132 -3.620) 4.274======================= Grid point 291 (91/219) =======================q-point: (-0.44 0.06 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 512Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.337 ( -2.715 2.585 0.402) 3.770 2.363 ( -3.501 4.154 0.075) 5.433 2.618 ( -0.986 -6.384 0.940) 6.528 2.741 ( -1.696 -0.750 -2.536) 3.142 3.078 ( -3.059 -1.856 -0.478) 3.610 3.190 ( -7.680 -0.518 -3.197) 8.335 3.340 ( -3.176 -4.110 2.436) 5.737 3.483 ( -3.060 0.900 -5.451) 6.315 3.837 ( -0.127 -11.508 1.011) 11.553 3.945 ( -1.835 -2.223 -1.052) 3.069 4.242 ( 4.474 4.416 5.195) 8.155 4.479 ( 3.419 5.033 -2.934) 6.755 4.841 ( -12.336 -9.969 1.868) 15.970 4.871 ( -6.590 -3.713 0.390) 7.574 5.024 ( -5.651 7.319 3.678) 9.951 5.161 ( 0.055 13.471 -2.540) 13.708 5.648 ( -17.016 1.909 2.907) 17.368 5.859 ( -16.278 3.033 -3.985) 17.031 7.531 ( 3.997 5.432 4.483) 8.098 7.776 ( 2.763 1.879 -4.023) 5.229 8.745 ( -0.165 -12.813 3.175) 13.202 9.013 ( -1.235 -12.548 -6.374) 14.128 9.295 ( -18.844 -4.071 0.253) 19.280 9.474 ( -13.403 0.808 -7.106) 15.192 9.532 ( -1.400 -4.260 6.749) 8.103 9.977 ( -9.078 -3.991 -8.154) 12.838 10.253 ( -7.798 3.961 13.488) 16.076 10.587 ( -7.258 -4.261 8.348) 11.855 10.688 ( -13.073 -6.992 -2.321) 15.006 10.896 ( -4.444 2.079 8.922) 10.182 11.154 ( 0.796 -0.419 -13.492) 13.521 11.421 ( 9.812 7.661 -7.787) 14.684 11.641 ( 13.245 -1.493 7.875) 15.481 11.988 ( 10.360 0.536 14.627) 17.932 12.127 ( 19.260 -4.726 -7.834) 21.323 12.727 ( 17.613 1.313 -13.803) 22.416 13.304 ( 5.571 -1.131 3.906) 6.897 13.351 ( -1.324 -0.838 1.767) 2.362 15.464 ( 4.698 -1.229 3.255) 5.846 15.875 ( -0.721 -2.798 -14.935) 15.212 16.720 ( 4.153 0.852 14.190) 14.810 17.128 ( 4.222 -1.704 -3.832) 5.951======================= Grid point 292 (92/219) =======================q-point: (-0.38 0.06 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 512Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.189 ( -9.714 5.530 0.889) 11.214 2.279 ( -3.819 5.068 0.498) 6.365 2.575 ( -8.257 -2.877 -0.264) 8.748 2.723 ( -1.741 -5.075 1.331) 5.529 3.027 ( -3.476 -6.304 -5.217) 8.890 3.056 ( -5.505 3.081 -5.530) 8.389 3.351 ( 0.282 -6.218 3.108) 6.957 3.455 ( -2.144 -6.201 -1.898) 6.831 3.812 ( -8.095 -5.986 0.707) 10.093 3.860 ( -9.284 -5.630 -0.586) 10.874 4.254 ( -0.955 6.842 4.495) 8.242 4.441 ( -10.388 2.013 0.018) 10.581 4.594 ( -14.829 4.673 -0.876) 15.572 4.698 ( -9.711 -1.339 -1.396) 9.902 4.918 ( -0.740 8.215 4.815) 9.551 5.130 ( -2.971 4.679 -4.231) 6.973 5.321 ( -12.762 -0.741 4.333) 13.498 5.524 ( -13.992 2.593 -3.159) 14.576 7.563 ( 2.751 5.107 4.179) 7.149 7.814 ( 2.294 1.850 -4.379) 5.279 8.750 ( -7.352 -11.767 3.736) 14.369 8.946 ( -18.774 -2.617 0.182) 18.956 9.044 ( -8.750 -15.403 -2.493) 17.889 9.218 ( -9.663 2.424 -9.986) 14.105 9.605 ( 3.693 -7.544 1.676) 8.565 9.836 ( -9.678 -6.259 -3.357) 12.004 10.070 ( -8.614 1.985 7.931) 11.876 10.443 ( -15.382 -7.795 1.162) 17.284 10.481 ( -6.785 -4.814 6.512) 10.565 10.831 ( -0.946 2.530 7.547) 8.016 11.201 ( 4.826 -2.954 -7.194) 9.152 11.582 ( 12.072 11.121 -9.508) 18.969 11.939 ( 15.243 -3.076 10.141) 18.565 12.117 ( 4.757 0.562 16.607) 17.284 12.551 ( 19.540 -4.518 -14.407) 24.694 12.986 ( 9.593 1.557 -17.670) 20.166 13.336 ( 2.787 0.516 7.867) 8.362 13.480 ( 12.612 1.574 3.415) 13.161 15.560 ( 4.073 -1.820 1.936) 4.863 15.891 ( 0.200 -5.298 -13.333) 14.349 16.815 ( 6.590 1.031 14.318) 15.796 17.240 ( 6.346 -2.742 -4.027) 8.000======================= Grid point 293 (93/219) =======================q-point: (-0.31 0.06 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 512Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.920 ( -14.968 7.081 1.899) 16.667 2.142 ( -7.138 8.002 2.488) 11.008 2.363 ( -13.632 0.428 -2.803) 13.923 2.711 ( -4.246 -9.193 7.395) 12.539 2.891 ( -7.724 8.545 -13.174) 17.500 3.058 ( -2.436 -11.604 -5.847) 13.220 3.369 ( -5.203 -8.249 3.959) 10.526 3.450 ( -3.820 -9.869 3.157) 11.044 3.637 ( -11.420 -2.605 0.609) 11.729 3.686 ( -12.133 -8.971 -3.244) 15.434 4.030 ( -26.715 3.856 6.657) 27.800 4.111 ( -10.206 8.966 1.653) 13.685 4.225 ( -20.306 4.337 -2.008) 20.861 4.503 ( -16.009 9.327 -8.953) 20.578 4.834 ( 0.750 4.683 4.330) 6.422 4.949 ( -10.669 7.497 -0.696) 13.058 5.244 ( 3.478 -4.003 6.055) 8.049 5.496 ( 7.036 -4.818 -3.507) 9.220 7.579 ( 1.467 3.192 3.670) 5.080 7.834 ( 0.395 0.930 -4.758) 4.864 8.577 ( -21.101 -12.984 2.705) 24.923 8.657 ( -8.944 1.449 3.511) 9.717 8.823 ( -17.815 -6.002 -5.837) 19.684 9.070 ( -12.427 -5.741 -7.536) 15.627 9.630 ( -14.243 0.431 2.798) 14.521 9.655 ( -3.825 -3.154 -2.208) 5.427 10.019 ( 2.751 -6.421 4.033) 8.066 10.263 ( -8.596 -10.035 4.183) 13.860 10.419 ( -2.061 -6.341 3.726) 7.638 10.828 ( 0.666 -3.244 0.630) 3.371 11.351 ( 9.938 2.460 -1.820) 10.398 11.751 ( 11.500 7.983 -7.029) 15.665 12.045 ( -1.865 4.463 13.237) 14.093 12.332 ( 15.440 -4.946 12.560) 20.508 12.808 ( 5.375 -0.515 -16.811) 17.657 13.062 ( 0.613 0.769 -12.119) 12.159 13.505 ( 15.362 0.150 9.056) 17.833 13.770 ( 19.327 5.214 -2.141) 20.132 15.636 ( 3.172 -2.596 1.393) 4.329 15.938 ( 0.722 -6.183 -12.841) 14.270 16.955 ( 8.717 0.471 15.168) 17.501 17.393 ( 7.916 -3.436 -3.801) 9.429======================= Grid point 294 (94/219) =======================q-point: (-0.25 0.06 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 512Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.558 ( -18.590 7.945 3.955) 20.599 1.900 ( -12.025 14.805 12.154) 22.617 2.116 ( -12.420 -3.052 -12.859) 18.136 2.622 ( -16.801 1.369 -8.011) 18.663 2.649 ( -9.571 -2.833 4.541) 10.966 2.944 ( -18.641 -9.416 -3.733) 21.215 3.215 ( -13.760 -5.209 4.845) 15.490 3.358 ( -11.290 3.115 5.209) 12.818 3.397 ( -25.926 0.255 4.323) 26.285 3.472 ( -11.149 -5.153 -1.605) 12.387 3.594 ( -12.110 -1.918 1.722) 12.382 3.853 ( -16.616 -2.094 -3.482) 17.106 3.897 ( -5.999 -6.645 -2.109) 9.197 4.103 ( -15.717 10.363 -15.585) 24.440 4.744 ( -4.186 10.519 8.205) 13.982 4.880 ( 5.477 7.589 0.517) 9.373 5.404 ( 8.538 -5.129 6.505) 11.896 5.699 ( 9.362 -8.012 -4.230) 13.028 7.576 ( -0.926 1.056 1.951) 2.404 7.798 ( -5.411 -1.318 -4.605) 7.227 8.223 ( -22.981 -10.561 2.770) 25.443 8.479 ( -17.625 -2.391 -8.145) 19.563 8.497 ( -13.474 -3.316 3.633) 14.344 8.766 ( -22.328 -5.003 -1.670) 22.942 9.311 ( -16.192 9.790 3.085) 19.172 9.568 ( -4.174 -0.207 -8.846) 9.783 10.099 ( -4.891 -10.541 6.380) 13.257 10.244 ( 3.974 -7.575 8.706) 12.205 10.500 ( 4.752 -10.761 1.222) 11.827 10.912 ( 6.028 -4.998 -5.253) 9.429 11.502 ( 7.379 6.067 2.840) 9.967 11.894 ( 6.281 0.066 5.557) 8.387 12.020 ( 6.280 9.012 -3.397) 11.497 12.618 ( 10.531 -3.414 7.004) 13.100 12.805 ( -2.305 3.417 -12.865) 13.509 13.050 ( -0.589 1.615 -2.788) 3.275 13.839 ( 18.814 1.031 5.169) 19.538 14.092 ( 16.628 4.836 -5.558) 18.187 15.723 ( 4.502 -3.063 -0.001) 5.445 15.963 ( -2.077 -5.180 -12.669) 13.843 17.137 ( 10.734 -0.676 16.989) 20.107 17.572 ( 8.908 -3.613 -2.718) 9.989======================= Grid point 295 (95/219) =======================q-point: (-0.19 0.06 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 512Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.153 ( -18.909 8.340 8.201) 22.234 1.542 ( -15.862 17.456 16.826) 28.973 1.924 ( -11.326 -3.774 -16.564) 20.418 2.182 ( -26.206 2.097 -7.986) 27.475 2.283 ( -31.480 5.883 8.919) 33.244 2.624 ( -13.536 -2.547 -0.059) 13.773 2.862 ( -20.739 0.860 3.467) 21.044 3.011 ( -19.940 2.182 3.617) 20.382 3.082 ( -12.637 -6.676 10.823) 17.928 3.121 ( -21.438 2.021 -3.138) 21.761 3.502 ( -6.317 0.085 -10.002) 11.831 3.640 ( -3.669 -1.298 -9.721) 10.471 3.918 ( -1.980 -6.936 -6.808) 9.918 3.972 ( 2.317 -14.262 -5.033) 15.301 4.648 ( 0.455 13.093 13.032) 18.479 4.929 ( 4.777 9.823 -1.814) 11.073 5.585 ( 7.229 -5.016 7.407) 11.502 5.911 ( 7.590 -8.890 -4.654) 12.582 7.454 ( -19.905 -3.666 -3.037) 20.467 7.602 ( -19.063 -10.487 -4.385) 22.194 7.835 ( -24.001 -10.985 4.864) 26.840 8.085 ( -18.930 1.205 -6.217) 19.961 8.287 ( -16.746 2.591 1.317) 16.996 8.366 ( -13.934 1.702 2.503) 14.259 8.979 ( -9.683 15.516 -1.496) 18.350 9.494 ( -3.208 7.119 -18.596) 20.169 10.038 ( -5.949 -13.049 10.856) 17.987 10.420 ( 6.095 -15.082 1.707) 16.357 10.703 ( 12.422 -4.937 7.963) 15.559 11.084 ( 8.088 -4.409 -3.506) 9.856 11.551 ( 1.633 1.550 8.872) 9.153 12.094 ( 15.687 2.719 -0.724) 15.938 12.117 ( 7.921 7.400 -10.047) 14.780 12.629 ( -5.400 3.571 -17.538) 18.695 12.853 ( 5.447 0.127 10.551) 11.875 13.020 ( -1.554 2.746 2.464) 4.004 14.160 ( 15.730 2.266 1.671) 15.980 14.299 ( 6.976 1.807 -3.813) 8.153 15.813 ( 0.221 -2.787 -2.085) 3.488 15.926 ( -1.764 -2.099 -12.315) 12.616 17.372 ( 13.416 -3.369 20.109) 24.407 17.763 ( 9.018 -3.615 -0.453) 9.727======================= Grid point 296 (96/219) =======================q-point: (-0.12 0.06 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 512Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.796 ( -12.846 7.227 16.933) 22.450 1.071 ( -26.815 12.280 13.473) 32.425 1.592 ( -22.978 1.141 -8.912) 24.672 1.617 ( -20.828 22.667 30.125) 43.071 1.900 ( -5.915 -1.607 -21.183) 22.052 2.386 ( -12.178 0.344 2.286) 12.395 2.537 ( -13.715 -1.858 -2.730) 14.107 2.673 ( -13.464 0.102 1.599) 13.559 2.743 ( -14.798 2.778 -1.329) 15.115 2.961 ( -6.437 -12.355 5.488) 14.973 3.377 ( -1.803 9.860 -19.292) 21.741 3.667 ( 1.732 -3.915 -2.642) 5.031 3.989 ( 2.707 -13.470 0.399) 13.745 4.115 ( 2.221 -16.487 -6.585) 17.892 4.597 ( 1.849 12.899 14.560) 19.540 4.942 ( 2.771 10.803 -3.050) 11.562 5.721 ( 4.383 -3.899 8.289) 10.155 6.073 ( 4.306 -7.908 -5.069) 10.333 6.793 ( -41.697 0.008 -1.319) 41.717 7.020 ( -55.211 -23.970 -12.772) 61.530 7.636 ( -3.605 -0.572 4.234) 5.590 7.827 ( -8.595 2.056 -3.362) 9.456 7.964 ( -8.987 12.347 3.476) 15.662 8.194 ( -6.358 4.174 -2.727) 8.080 8.753 ( -4.567 22.047 -9.057) 24.269 9.340 ( -4.823 16.693 -26.134) 31.383 10.052 ( -1.281 -13.668 14.695) 20.110 10.607 ( 2.569 -18.969 -7.661) 20.618 11.041 ( 21.228 -0.912 12.513) 24.659 11.229 ( 4.336 -4.558 -0.174) 6.294 11.578 ( 1.119 -1.695 9.423) 9.639 12.155 ( 1.888 6.856 -16.020) 17.527 12.448 ( 19.742 2.325 -2.641) 20.053 12.542 ( 0.893 5.154 -9.896) 11.193 12.873 ( -4.217 1.733 6.943) 8.306 12.947 ( -4.793 2.276 2.271) 5.772 14.341 ( -0.875 -1.633 0.621) 1.954 14.386 ( 8.645 1.798 -0.944) 8.880 15.695 ( -11.459 -5.641 0.757) 12.794 15.972 ( 4.260 5.520 -12.301) 14.140 17.695 ( 16.373 -11.784 21.124) 29.209 17.939 ( 7.434 -3.332 3.060) 8.702======================= Grid point 297 (97/219) =======================q-point: (-0.06 0.06 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 272Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.596 ( -0.000 12.114 18.833) 22.393 0.654 ( -0.000 0.458 27.882) 27.886 1.286 ( -0.000 27.049 42.311) 50.218 1.326 ( -0.000 1.487 -10.680) 10.783 1.869 ( 0.000 -1.998 -22.846) 22.933 2.254 ( 0.000 -0.321 3.204) 3.220 2.400 ( 0.000 -0.150 -2.490) 2.495 2.540 ( 0.000 -0.539 1.228) 1.341 2.584 ( -0.000 1.506 -0.530) 1.596 2.984 ( 0.000 -13.600 -9.158) 16.395 3.316 ( -0.000 8.951 -9.005) 12.697 3.708 ( 0.000 -2.856 -0.481) 2.897 4.141 ( 0.000 -17.851 0.562) 17.859 4.220 ( 0.000 -11.885 -7.239) 13.916 4.561 ( -0.000 9.733 13.601) 16.725 4.912 ( -0.000 8.744 -2.444) 9.079 5.790 ( 0.000 -1.773 8.677) 8.856 6.161 ( -0.000 4.894 2.237) 5.381 6.164 ( 0.000 -4.978 -5.462) 7.390 6.302 ( -0.000 5.062 -2.770) 5.771 7.609 ( 0.000 -0.272 2.554) 2.568 7.738 ( 0.000 -0.213 -2.035) 2.046 7.814 ( -0.000 10.949 3.559) 11.513 8.068 ( -0.000 16.084 -7.986) 17.958 8.554 ( -0.000 27.382 -3.844) 27.650 9.199 ( -0.000 12.409 -23.139) 26.256 10.113 ( 0.000 -9.995 16.178) 19.016 10.723 ( 0.000 -13.843 -9.675) 16.889 11.295 ( 0.000 -3.752 0.651) 3.808 11.333 ( 0.000 -3.722 -0.681) 3.784 11.601 ( 0.000 -2.125 9.058) 9.304 12.125 ( -0.000 5.696 -14.355) 15.444 12.636 ( -0.000 7.137 6.609) 9.727 12.670 ( -0.000 1.188 0.410) 1.257 12.693 ( -0.000 1.195 -0.385) 1.255 12.852 ( -0.000 1.115 -1.941) 2.238 14.333 ( 0.000 -3.413 3.290) 4.740 14.463 ( -0.000 1.248 -2.326) 2.640 15.586 ( 0.000 -6.208 8.282) 10.351 15.970 ( -0.000 8.741 -11.449) 14.405 17.966 ( 0.000 -12.152 7.273) 14.163 18.098 ( 0.000 -13.764 7.073) 15.475======================= Grid point 300 (98/219) =======================q-point: ( 0.12 0.12 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 272Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.816 ( 14.873 0.000 7.281) 16.560 1.929 ( 15.828 0.000 6.162) 16.985 2.490 ( 12.844 0.000 -10.609) 16.659 2.593 ( 8.306 0.000 -17.713) 19.563 3.015 ( 0.042 0.000 10.864) 10.864 3.185 ( 3.628 0.000 3.082) 4.760 3.586 ( 11.243 0.000 -3.366) 11.736 3.674 ( 6.670 0.000 4.704) 8.162 3.709 ( 8.829 0.000 4.289) 9.816 3.858 ( 17.330 0.000 -3.029) 17.592 3.906 ( 3.581 0.000 -10.743) 11.324 4.000 ( 21.070 0.000 8.134) 22.586 4.024 ( 15.827 0.000 -1.778) 15.926 4.389 ( 18.709 0.000 -1.243) 18.750 4.698 ( 1.611 0.000 2.290) 2.800 4.756 ( 14.995 0.000 -2.046) 15.134 5.323 ( -5.615 -0.000 6.246) 8.398 5.597 ( -11.849 -0.000 -3.992) 12.503 7.514 ( -3.432 -0.000 4.492) 5.653 7.819 ( -1.782 -0.000 -5.625) 5.901 8.568 ( 12.044 0.000 2.858) 12.378 8.845 ( 16.024 0.000 -11.467) 19.704 8.969 ( 16.009 0.000 5.241) 16.844 9.341 ( 15.048 0.000 -1.866) 15.163 9.504 ( 20.436 0.000 4.447) 20.914 9.675 ( 10.657 0.000 -4.362) 11.515 10.124 ( -4.365 -0.000 4.359) 6.169 10.506 ( 8.312 0.000 16.025) 18.053 10.573 ( -4.070 -0.000 -9.362) 10.208 10.912 ( -6.727 -0.000 6.208) 9.154 11.298 ( -2.035 -0.000 -11.233) 11.416 11.497 ( -18.005 -0.000 -7.565) 19.530 11.986 ( 2.751 0.000 16.333) 16.563 12.459 ( -14.975 -0.000 11.969) 19.170 12.827 ( 1.810 0.000 -20.548) 20.627 13.032 ( -1.235 -0.000 -6.677) 6.791 13.581 ( -11.420 -0.000 6.660) 13.220 13.596 ( -21.814 -0.000 0.414) 21.818 15.681 ( -4.709 -0.000 1.770) 5.031 16.031 ( -1.475 -0.000 -15.848) 15.917 16.962 ( -9.145 -0.000 17.734) 19.953 17.460 ( -8.567 -0.000 -4.708) 9.776======================= Grid point 301 (99/219) =======================q-point: ( 0.19 0.12 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 512Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.062 ( 10.860 -1.122 2.304) 11.158 2.164 ( 8.920 -0.875 1.603) 9.105 2.693 ( 10.049 4.572 -7.077) 13.114 2.754 ( 5.596 -4.786 -9.204) 11.787 3.009 ( 2.309 2.113 6.377) 7.104 3.202 ( -0.904 0.021 -2.443) 2.605 3.598 ( -3.037 6.673 -0.518) 7.350 3.690 ( -4.936 -1.610 3.733) 6.395 3.773 ( 3.753 2.841 2.448) 5.306 4.061 ( 4.688 -2.922 -3.330) 6.450 4.119 ( 13.171 -2.526 -0.035) 13.411 4.225 ( 15.273 0.857 -5.009) 16.096 4.573 ( 8.407 1.726 6.277) 10.633 4.629 ( 18.251 -4.878 7.932) 20.489 4.725 ( 0.345 0.006 0.687) 0.769 5.085 ( 19.654 -0.028 -9.084) 21.652 5.359 ( 9.405 0.657 2.685) 9.803 5.436 ( -2.496 -1.156 -1.150) 2.981 7.444 ( -4.073 -1.035 5.496) 6.919 7.772 ( -2.939 -0.367 -5.863) 6.568 8.792 ( 11.794 -0.697 3.435) 12.304 9.103 ( 10.173 0.051 -10.616) 14.704 9.271 ( 16.803 2.829 1.912) 17.147 9.505 ( 6.847 5.769 -4.380) 9.967 9.742 ( 4.081 -0.689 5.602) 6.965 9.928 ( 11.621 -0.311 10.717) 15.812 10.103 ( 3.796 2.305 -5.284) 6.903 10.584 ( 6.404 0.800 -8.970) 11.050 10.646 ( 6.948 1.798 13.233) 15.054 10.787 ( -5.000 0.296 5.862) 7.710 11.207 ( -11.569 -4.185 -5.201) 13.357 11.275 ( -1.898 -0.127 -10.737) 10.904 11.986 ( -3.872 0.004 16.506) 16.954 12.144 ( -17.645 0.735 10.521) 20.557 12.760 ( -11.030 5.942 -16.222) 20.496 12.849 ( -17.526 -5.290 -15.273) 23.841 13.345 ( -2.679 0.357 6.348) 6.900 13.428 ( -5.639 -0.680 5.342) 7.798 15.599 ( -3.756 0.315 2.659) 4.613 15.984 ( -2.954 0.527 -15.626) 15.911 16.811 ( -7.004 0.145 16.668) 18.080 17.304 ( -7.864 0.543 -5.163) 9.423======================= Grid point 302 (100/219) =======================q-point: ( 0.25 0.12 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 512Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.235 ( 6.745 -1.602 -0.352) 6.942 2.288 ( 4.399 -0.791 -0.795) 4.540 2.785 ( -1.523 2.242 -0.076) 2.711 2.809 ( 3.534 1.538 -1.231) 4.047 3.127 ( 7.709 -1.013 -1.924) 8.010 3.190 ( 1.789 1.303 -6.707) 7.063 3.497 ( -3.221 4.854 0.704) 5.868 3.579 ( -5.087 1.706 0.251) 5.371 3.855 ( 4.640 -0.549 7.257) 8.631 4.122 ( 0.109 -3.064 -3.637) 4.757 4.308 ( 4.792 4.652 0.879) 6.736 4.358 ( -2.811 7.303 0.412) 7.837 4.576 ( 0.966 -12.605 0.008) 12.642 4.667 ( -2.123 -8.279 -1.084) 8.615 5.060 ( 17.388 2.850 7.666) 19.216 5.355 ( 12.199 12.092 -2.710) 17.389 5.560 ( 14.954 -3.436 -0.700) 15.359 5.644 ( 14.285 -7.727 -2.477) 16.429 7.386 ( -2.655 -2.043 6.128) 6.984 7.724 ( -2.238 -0.759 -5.755) 6.221 8.994 ( 7.755 1.920 -0.677) 8.018 9.167 ( -3.396 -1.002 -7.370) 8.177 9.531 ( 11.608 5.961 0.916) 13.082 9.627 ( 9.786 5.502 -2.495) 11.501 9.718 ( -0.976 3.849 7.971) 8.906 10.050 ( 3.729 -5.204 10.925) 12.662 10.200 ( 6.088 7.695 -4.094) 10.632 10.731 ( 2.776 1.627 4.518) 5.546 10.748 ( 4.007 -3.597 -6.076) 8.119 10.820 ( 11.894 -3.442 2.095) 12.558 11.124 ( -0.733 2.696 -4.464) 5.266 11.242 ( -0.055 -3.176 -6.151) 6.923 11.755 ( -17.442 4.513 10.273) 20.740 11.876 ( -13.517 -4.798 13.454) 19.666 12.344 ( -21.014 5.335 -7.846) 23.056 12.623 ( -13.538 -3.461 -12.515) 18.759 13.345 ( -2.523 1.079 2.543) 3.741 13.362 ( 0.701 -0.342 1.594) 1.775 15.536 ( -2.602 1.523 3.034) 4.277 15.927 ( -2.563 0.477 -15.074) 15.298 16.700 ( -4.779 -0.301 15.627) 16.344 17.164 ( -6.518 0.392 -4.904) 8.166======================= Grid point 303 (101/219) =======================q-point: ( 0.31 0.12 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 512Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.328 ( 2.510 -0.278 -0.633) 2.603 2.365 ( 3.571 -1.779 -1.123) 4.144 2.730 ( -2.208 3.043 0.598) 3.807 2.807 ( -1.660 2.069 -0.415) 2.685 3.194 ( 2.430 2.837 -2.632) 4.570 3.282 ( 2.738 -1.348 -5.399) 6.202 3.442 ( -0.414 1.025 1.833) 2.140 3.527 ( 0.791 -1.656 -0.437) 1.886 3.919 ( 0.908 1.666 4.002) 4.429 4.048 ( -8.260 4.613 -2.490) 9.783 4.207 ( -5.958 3.638 3.235) 7.695 4.302 ( 0.819 -1.349 -0.364) 1.620 4.678 ( 1.016 -14.867 0.416) 14.907 4.774 ( 4.473 -6.565 -4.795) 9.279 5.245 ( 6.135 5.270 9.818) 12.720 5.502 ( 11.046 15.391 -1.549) 19.008 5.830 ( 10.450 -2.914 -0.460) 10.859 5.944 ( 10.879 -9.251 -3.984) 14.826 7.376 ( 0.526 -1.840 6.264) 6.550 7.701 ( -0.575 -0.699 -5.241) 5.318 8.924 ( -9.872 5.828 0.374) 11.470 9.108 ( -4.468 -1.013 -8.327) 9.504 9.593 ( 0.965 4.565 8.337) 9.554 9.713 ( 4.076 0.047 4.224) 5.870 9.840 ( 8.653 3.132 0.545) 9.219 10.198 ( 7.744 0.520 -4.271) 8.859 10.279 ( 9.046 0.245 4.902) 10.292 10.711 ( -5.595 -6.923 -9.470) 12.996 10.814 ( -0.238 1.460 1.823) 2.348 11.014 ( 2.445 4.391 -2.832) 5.769 11.123 ( 8.279 1.664 2.896) 8.928 11.330 ( -0.746 -3.765 -3.940) 5.501 11.431 ( -12.006 4.478 9.791) 16.126 11.658 ( -5.748 -6.325 6.334) 10.638 12.019 ( -10.745 4.303 -0.028) 11.574 12.364 ( -15.056 -1.504 -8.825) 17.517 13.272 ( -3.275 2.333 2.345) 4.655 13.383 ( 0.201 -0.991 -1.791) 2.057 15.479 ( -1.847 3.973 3.461) 5.584 15.888 ( -1.480 -0.205 -15.000) 15.074 16.639 ( -2.078 -1.176 14.693) 14.886 17.065 ( -3.913 -0.535 -4.281) 5.824======================= Grid point 304 (102/219) =======================q-point: ( 0.38 0.12 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 512Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.355 ( 0.665 -0.390 0.415) 0.876 2.428 ( 2.046 -0.519 -2.086) 2.968 2.671 ( -1.971 3.452 1.568) 4.273 2.765 ( -1.483 0.429 -1.034) 1.858 3.179 ( -1.712 4.401 0.179) 4.725 3.289 ( -1.390 -1.352 -4.280) 4.699 3.478 ( 2.502 -5.757 2.451) 6.739 3.597 ( 2.437 -3.236 -3.135) 5.123 3.780 ( -12.054 5.742 0.641) 13.367 3.889 ( -4.037 1.180 -4.705) 6.310 4.176 ( 3.312 2.967 7.053) 8.338 4.368 ( 4.620 -0.840 -1.169) 4.839 4.754 ( -2.119 -14.220 0.889) 14.404 4.857 ( 0.552 -6.120 -4.811) 7.804 5.274 ( 1.180 6.797 10.231) 12.340 5.560 ( 4.609 16.448 -2.418) 17.252 5.962 ( 1.583 -2.340 0.699) 2.910 6.118 ( 2.242 -6.705 -4.204) 8.225 7.426 ( 4.096 0.136 5.644) 6.975 7.711 ( 1.306 -0.105 -4.384) 4.575 8.712 ( -8.906 1.403 3.766) 9.771 8.995 ( -7.197 -2.435 -7.778) 10.873 9.570 ( -1.392 2.376 4.239) 5.055 9.730 ( -5.003 -4.101 7.047) 9.566 9.873 ( -3.499 1.669 -2.898) 4.840 10.251 ( -2.950 -0.523 -6.765) 7.399 10.526 ( 11.812 0.834 3.928) 12.476 10.694 ( -1.195 -0.998 -3.376) 3.717 10.714 ( -3.101 -0.281 0.541) 3.160 10.992 ( 1.095 2.935 -7.421) 8.055 11.141 ( -9.802 0.451 8.533) 13.004 11.210 ( -5.450 -1.877 2.384) 6.238 11.391 ( 9.865 -1.468 6.871) 12.112 11.798 ( 5.923 1.006 -3.118) 6.769 11.879 ( -2.216 0.986 2.532) 3.506 12.140 ( -3.980 -1.950 -6.623) 7.969 13.212 ( -1.342 2.116 2.776) 3.739 13.381 ( -1.098 -1.534 -2.959) 3.509 15.428 ( -0.470 5.104 4.031) 6.520 15.871 ( -0.917 -0.966 -15.408) 15.466 16.632 ( 0.421 -1.298 14.083) 14.149 17.027 ( -0.800 -1.422 -3.695) 4.039======================= Grid point 305 (103/219) =======================q-point: (-0.56 0.12 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 512Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.367 ( 0.251 -1.190 0.369) 1.271 2.438 ( -0.625 1.946 -2.690) 3.378 2.623 ( -1.515 2.493 3.512) 4.566 2.745 ( -1.033 -1.197 -0.852) 1.796 3.114 ( -2.776 1.809 1.050) 3.476 3.257 ( -3.132 -2.136 -4.127) 5.604 3.493 ( -11.065 0.883 0.150) 11.101 3.589 ( -2.348 -0.517 -3.746) 4.451 3.607 ( 0.594 -6.693 2.533) 7.181 3.882 ( 1.983 -2.328 -7.069) 7.702 4.239 ( 5.289 5.296 8.164) 11.076 4.462 ( 5.113 1.960 -1.648) 5.718 4.763 ( -5.338 -14.112 1.521) 15.164 4.869 ( -2.767 -5.884 -4.057) 7.664 5.221 ( -2.286 7.500 8.993) 11.931 5.489 ( -1.826 16.672 -2.785) 17.001 5.907 ( -8.282 -0.618 1.808) 8.500 6.095 ( -7.610 -3.042 -4.176) 9.198 7.515 ( 5.763 2.964 4.542) 7.914 7.748 ( 2.704 0.788 -3.590) 4.563 8.599 ( -4.308 -5.631 4.450) 8.371 8.898 ( -5.713 -7.385 -6.828) 11.567 9.515 ( -4.250 0.553 -0.096) 4.286 9.551 ( -15.148 -6.831 2.719) 16.838 9.742 ( -8.956 2.033 0.650) 9.207 10.124 ( -9.233 -0.220 -8.021) 12.233 10.456 ( -9.085 2.309 10.134) 13.804 10.653 ( -5.009 -2.049 1.955) 5.754 10.784 ( -2.925 -2.069 0.361) 3.601 10.955 ( -6.046 -4.600 7.051) 10.365 11.079 ( 9.012 4.814 -8.109) 13.044 11.321 ( 12.477 -2.142 -5.508) 13.805 11.517 ( 1.696 4.014 4.260) 6.094 11.802 ( 2.075 -0.583 6.781) 7.115 11.861 ( 5.564 -0.409 0.190) 5.582 12.366 ( 18.840 -2.042 -9.678) 21.278 13.211 ( 2.180 0.307 3.366) 4.022 13.363 ( -1.698 -1.645 -1.916) 3.043 15.415 ( 1.843 3.432 3.952) 5.550 15.859 ( -1.379 -1.909 -15.326) 15.506 16.665 ( 2.535 -0.287 13.694) 13.930 17.046 ( 1.728 -1.670 -3.399) 4.163======================= Grid point 306 (104/219) =======================q-point: (-0.50 0.12 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 512Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.369 ( -0.785 1.627 -0.462) 1.865 2.390 ( -3.142 1.457 -1.772) 3.890 2.578 ( -2.195 0.110 4.279) 4.810 2.728 ( -2.150 -1.586 -1.080) 2.882 3.059 ( -3.227 -1.402 0.263) 3.528 3.180 ( -7.281 -1.543 -3.405) 8.185 3.302 ( -6.243 -2.061 2.872) 7.174 3.509 ( -3.717 3.152 -7.282) 8.762 3.696 ( -0.288 -12.518 2.194) 12.712 3.916 ( -1.469 -2.734 -5.828) 6.603 4.307 ( 5.450 6.451 7.698) 11.427 4.516 ( 0.882 1.020 -1.581) 2.078 4.724 ( -5.745 -9.503 1.722) 11.237 4.819 ( -6.122 -4.456 -3.443) 8.318 5.112 ( -4.425 7.528 7.150) 11.286 5.329 ( -4.326 14.846 -2.788) 15.712 5.666 ( -16.852 1.105 2.800) 17.119 5.879 ( -15.649 0.373 -4.092) 16.179 7.592 ( 4.547 5.079 3.748) 7.780 7.797 ( 3.032 1.642 -3.336) 4.798 8.597 ( -2.503 -12.541 3.912) 13.373 8.867 ( -3.928 -12.435 -5.771) 14.261 9.246 ( -18.017 -4.662 1.192) 18.649 9.460 ( -6.042 -2.895 -8.257) 10.633 9.533 ( -8.418 3.654 5.235) 10.565 9.937 ( -10.984 -2.889 -7.667) 13.703 10.288 ( -8.464 2.102 11.063) 14.087 10.538 ( -7.981 -4.490 6.030) 10.965 10.613 ( -14.202 -5.598 2.277) 15.435 10.918 ( -0.693 1.787 9.988) 10.170 11.140 ( -3.744 -1.858 -13.030) 13.684 11.507 ( 13.240 7.294 -6.855) 16.598 11.632 ( 11.266 -0.132 5.939) 12.736 11.980 ( 10.426 -1.763 14.310) 17.793 12.087 ( 18.964 -2.314 -7.622) 20.568 12.733 ( 18.209 -0.108 -14.740) 23.427 13.292 ( 6.048 -0.981 4.227) 7.443 13.341 ( -0.788 -0.898 1.920) 2.261 15.459 ( 3.844 0.357 2.757) 4.744 15.838 ( -2.414 -3.646 -13.820) 14.495 16.731 ( 4.733 1.007 13.108) 13.972 17.107 ( 3.716 -1.912 -3.337) 5.348======================= Grid point 307 (105/219) =======================q-point: (-0.44 0.12 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 512Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.257 ( -7.870 6.309 -0.408) 10.095 2.329 ( -3.539 2.938 -1.468) 4.828 2.540 ( -4.142 -2.786 4.216) 6.533 2.676 ( -4.211 -2.810 0.505) 5.088 2.977 ( -6.264 -2.175 -2.747) 7.177 3.066 ( -3.977 -1.628 -2.853) 5.158 3.279 ( -0.480 -6.385 2.792) 6.986 3.413 ( -6.236 -1.056 -5.005) 8.065 3.694 ( -8.023 -11.882 0.380) 14.342 3.834 ( -8.166 -1.106 -4.446) 9.363 4.334 ( -1.315 5.654 6.444) 8.673 4.439 ( -9.616 -0.553 2.222) 9.885 4.641 ( -15.058 1.019 -3.362) 15.463 4.687 ( 0.143 1.322 -1.466) 1.979 5.004 ( -2.141 6.681 5.130) 8.691 5.201 ( -5.343 7.388 -3.171) 9.653 5.317 ( -15.196 -0.045 4.312) 15.796 5.549 ( -16.283 1.593 -3.642) 16.761 7.623 ( 2.003 5.154 3.535) 6.563 7.836 ( 2.092 1.916 -3.730) 4.686 8.587 ( -8.804 -15.265 4.090) 18.090 8.858 ( -7.627 -14.428 -4.798) 17.011 8.949 ( -14.205 -0.622 2.431) 14.425 9.250 ( -11.078 2.826 -10.646) 15.622 9.526 ( 2.702 -5.994 2.070) 6.893 9.764 ( -10.050 -6.228 -4.582) 12.680 10.091 ( -10.945 1.530 7.185) 13.182 10.355 ( -16.050 -7.350 1.073) 17.686 10.425 ( -6.847 -4.889 8.145) 11.710 10.858 ( -4.159 2.047 5.216) 6.978 11.168 ( 7.044 -2.728 -2.796) 8.055 11.694 ( 10.538 8.184 -9.563) 16.416 11.907 ( 16.556 -2.126 10.149) 19.535 12.127 ( 5.089 1.047 15.310) 16.168 12.509 ( 20.957 -2.784 -14.430) 25.596 12.994 ( 8.367 -0.056 -17.587) 19.476 13.346 ( 3.777 1.049 7.981) 8.891 13.496 ( 15.182 1.222 2.754) 15.478 15.538 ( 3.562 -1.812 1.280) 4.196 15.823 ( -1.771 -6.492 -11.619) 13.427 16.831 ( 6.791 1.695 12.673) 14.478 17.209 ( 5.713 -2.764 -3.317) 7.161======================= Grid point 308 (106/219) =======================q-point: (-0.38 0.12 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 512Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.014 ( -13.169 9.098 0.021) 16.006 2.212 ( -6.703 3.962 -3.950) 8.731 2.395 ( -10.564 4.833 6.076) 13.110 2.619 ( -5.045 -6.617 5.583) 10.020 2.915 ( -4.802 -7.223 -6.614) 10.908 2.993 ( -4.585 3.133 -8.254) 9.948 3.257 ( -10.550 -9.911 3.455) 14.882 3.345 ( -0.677 -9.316 2.018) 9.556 3.536 ( -14.656 -11.517 -1.822) 18.729 3.653 ( -10.738 0.027 -3.761) 11.378 4.072 ( -21.352 3.306 4.086) 21.989 4.225 ( -12.634 10.813 5.266) 17.444 4.263 ( -22.345 2.721 -2.372) 22.635 4.615 ( -11.931 9.626 -8.485) 17.521 4.872 ( -2.260 2.159 5.058) 5.946 5.031 ( -7.202 6.566 -1.100) 9.807 5.199 ( 1.246 -3.626 5.990) 7.112 5.441 ( 3.692 -4.625 -3.342) 6.796 7.617 ( 0.179 3.368 3.211) 4.657 7.847 ( -0.307 1.203 -4.450) 4.620 8.413 ( -18.293 -14.201 4.844) 23.659 8.680 ( -11.628 -1.191 -1.490) 11.783 8.737 ( -14.499 -5.744 -0.980) 15.626 9.039 ( -12.873 -0.288 -9.280) 15.872 9.603 ( -2.798 -5.328 -0.979) 6.097 9.614 ( -8.764 -3.791 -0.478) 9.560 9.943 ( -2.886 -6.494 4.784) 8.567 10.155 ( -8.881 -8.787 2.388) 12.719 10.347 ( -4.184 -6.176 6.309) 9.770 10.796 ( -1.527 -2.365 -1.825) 3.355 11.378 ( 13.448 2.121 3.020) 13.945 11.820 ( 6.223 4.143 -2.720) 7.955 12.105 ( 1.929 5.649 8.452) 10.347 12.288 ( 15.783 -2.325 11.681) 19.773 12.805 ( 8.362 -0.026 -16.099) 18.141 13.067 ( 0.825 0.065 -13.513) 13.538 13.516 ( 15.635 1.569 10.260) 18.767 13.827 ( 20.316 4.744 -3.330) 21.126 15.603 ( 2.172 -3.236 0.748) 3.968 15.854 ( 0.084 -8.376 -10.722) 13.606 16.966 ( 8.503 1.414 13.246) 15.803 17.352 ( 7.487 -3.704 -3.067) 8.899======================= Grid point 309 (107/219) =======================q-point: (-0.31 0.12 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 512Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.673 ( -16.328 11.750 0.544) 20.123 2.039 ( -8.821 6.242 -3.084) 11.238 2.122 ( -13.734 6.997 3.318) 15.766 2.534 ( -10.545 -7.752 6.884) 14.788 2.706 ( -17.091 3.302 -7.192) 18.834 2.858 ( -13.522 -5.019 -3.158) 14.765 3.116 ( -10.479 -9.875 2.210) 14.567 3.349 ( -13.462 -10.605 -2.607) 17.334 3.367 ( -4.553 -3.285 1.325) 5.768 3.413 ( -15.335 -3.915 0.762) 15.846 3.621 ( -19.951 7.853 8.240) 22.970 3.827 ( -21.578 -0.907 -1.762) 21.669 3.862 ( -16.997 -0.397 -1.776) 17.094 4.244 ( -15.338 13.313 -15.705) 25.674 4.854 ( -1.256 8.134 7.580) 11.189 4.958 ( 5.378 6.151 1.640) 8.333 5.337 ( 7.628 -6.398 5.368) 11.311 5.599 ( 7.378 -9.210 -3.861) 12.416 7.589 ( -2.271 1.170 1.449) 2.937 7.782 ( -8.253 -1.371 -4.810) 9.650 8.098 ( -21.732 -10.232 5.810) 24.713 8.428 ( -19.861 -6.172 -8.029) 22.294 8.493 ( -10.192 1.446 2.808) 10.670 8.722 ( -20.823 -2.512 -3.015) 21.190 9.406 ( -10.564 6.543 1.809) 12.557 9.550 ( -3.571 -2.908 -5.086) 6.861 9.969 ( -5.725 -11.705 3.841) 13.584 10.141 ( 0.698 -10.693 2.344) 10.970 10.383 ( 4.975 -9.287 7.448) 12.902 10.855 ( 5.761 -4.718 -5.467) 9.237 11.573 ( 6.990 6.288 4.779) 10.547 11.889 ( 5.810 -0.545 9.812) 11.416 12.129 ( 6.770 9.570 -7.073) 13.691 12.583 ( 12.106 -2.607 7.189) 14.319 12.847 ( -0.925 3.793 -11.753) 12.384 13.066 ( 0.153 1.243 -5.180) 5.329 13.859 ( 20.175 2.448 5.603) 21.082 14.149 ( 15.596 4.949 -5.948) 17.410 15.683 ( 4.505 -4.031 -0.519) 6.068 15.889 ( -1.886 -7.610 -10.850) 13.386 17.135 ( 10.038 0.266 15.037) 18.081 17.527 ( 8.554 -4.261 -2.157) 9.797======================= Grid point 310 (108/219) =======================q-point: (-0.25 0.12 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 512Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.289 ( -15.820 14.779 2.147) 21.756 1.728 ( -17.960 14.540 12.373) 26.212 1.894 ( -9.890 -1.559 -16.113) 18.970 2.176 ( -27.100 -2.778 -4.926) 27.683 2.357 ( -20.400 6.861 7.172) 22.686 2.612 ( -10.205 0.079 1.090) 10.264 2.882 ( -20.966 1.263 6.450) 21.972 2.989 ( -16.117 -3.898 7.212) 18.083 3.063 ( -21.225 3.215 5.044) 22.051 3.155 ( -21.075 3.678 -2.543) 21.544 3.443 ( -2.188 -9.136 -1.829) 9.571 3.575 ( -7.129 -11.062 -8.536) 15.686 3.768 ( -0.984 -14.773 -1.296) 14.863 3.976 ( -5.375 10.433 -18.901) 22.248 4.796 ( 1.245 12.429 12.369) 17.579 5.030 ( 5.366 7.446 -0.761) 9.209 5.516 ( 6.825 -7.028 5.978) 11.476 5.793 ( 6.519 -11.444 -4.031) 13.774 7.424 ( -22.451 -1.301 -3.676) 22.787 7.476 ( -27.438 -10.141 -3.278) 29.435 7.763 ( -14.649 -2.822 7.871) 16.867 8.093 ( -15.817 0.093 -7.843) 17.655 8.292 ( -12.410 -0.604 0.899) 12.457 8.379 ( -13.107 -0.925 0.884) 13.170 9.163 ( -7.304 16.512 2.040) 18.171 9.547 ( 1.703 1.217 -10.001) 10.218 9.888 ( -8.082 -12.123 5.305) 15.506 10.223 ( -0.142 -18.540 -4.254) 19.022 10.639 ( 15.830 -6.386 11.583) 20.629 11.024 ( 7.326 -6.044 -3.217) 10.027 11.572 ( -1.069 2.331 10.613) 10.919 12.127 ( 18.309 3.247 2.129) 18.716 12.212 ( 6.594 8.622 -13.331) 17.191 12.667 ( -3.018 2.871 -14.259) 14.855 12.862 ( 5.181 1.557 8.798) 10.328 13.053 ( -0.881 2.850 1.146) 3.196 14.193 ( 16.287 3.398 1.465) 16.702 14.323 ( 5.011 2.349 -3.289) 6.437 15.769 ( -2.751 -4.916 -2.097) 6.011 15.897 ( 3.335 -2.890 -12.015) 12.800 17.340 ( 11.281 -2.122 18.009) 21.356 17.715 ( 8.511 -4.746 -0.227) 9.748======================= Grid point 311 (109/219) =======================q-point: (-0.19 0.12 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 512Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.945 ( -9.991 17.588 6.298) 21.185 1.211 ( -27.877 12.191 8.984) 31.725 1.607 ( -21.615 1.785 -7.792) 23.046 1.828 ( -7.220 1.170 -9.226) 11.774 1.951 ( -9.990 21.996 13.273) 27.565 2.402 ( -12.437 2.994 2.436) 13.022 2.519 ( -13.340 -1.117 -0.877) 13.415 2.682 ( -14.554 1.388 2.690) 14.865 2.772 ( -15.564 2.319 -1.097) 15.774 2.825 ( -7.759 -11.246 12.682) 18.642 3.437 ( -1.212 -1.407 -12.790) 12.924 3.603 ( 1.084 -8.323 -7.266) 11.102 3.863 ( 0.806 -11.918 -7.269) 13.983 3.926 ( 0.643 -9.307 -6.669) 11.467 4.750 ( 1.544 13.407 14.171) 19.569 5.061 ( 3.041 9.593 -2.554) 10.383 5.662 ( 4.427 -6.477 7.094) 10.577 5.962 ( 4.303 -11.318 -4.183) 12.810 6.810 ( -35.618 1.729 -2.436) 35.743 6.844 ( -42.114 -6.194 -3.315) 42.696 7.631 ( -3.278 -0.303 4.182) 5.322 7.838 ( -10.516 0.417 -3.960) 11.244 8.089 ( -6.098 6.925 1.027) 9.284 8.229 ( -4.531 2.457 0.032) 5.154 8.968 ( -2.756 18.399 -2.430) 18.763 9.531 ( 0.120 14.301 -21.412) 25.748 9.866 ( -2.795 -18.053 11.527) 21.600 10.362 ( 1.546 -23.154 -8.118) 24.584 11.008 ( 18.967 -4.741 8.878) 21.472 11.163 ( 3.400 -6.917 -0.160) 7.709 11.560 ( 0.035 -1.134 10.811) 10.870 12.246 ( 2.407 8.627 -17.950) 20.060 12.482 ( 19.363 3.428 -2.083) 19.775 12.604 ( 1.454 5.370 -9.298) 10.835 12.895 ( -2.257 2.060 7.064) 7.697 12.981 ( -5.164 3.569 1.374) 6.426 14.328 ( -2.435 -0.458 1.930) 3.141 14.412 ( 8.461 2.701 -1.314) 8.978 15.637 ( -10.857 -4.649 2.960) 12.176 16.021 ( 6.585 2.875 -15.574) 17.152 17.579 ( 10.643 -8.154 20.779) 24.729 17.888 ( 6.425 -5.451 2.654) 8.834======================= Grid point 312 (110/219) =======================q-point: (-0.12 0.12 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 272Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.749 ( -0.000 15.695 14.120) 21.112 0.767 ( -0.000 16.695 13.013) 21.167 1.350 ( -0.000 2.476 -9.040) 9.373 1.642 ( -0.000 32.945 34.330) 47.581 1.838 ( 0.000 -2.543 -23.683) 23.819 2.249 ( 0.000 -0.452 2.860) 2.895 2.397 ( 0.000 -0.387 -3.043) 3.067 2.537 ( 0.000 -0.014 2.044) 2.044 2.603 ( -0.000 1.852 -0.785) 2.011 2.827 ( 0.000 -13.120 8.820) 15.809 3.414 ( -0.000 5.915 -18.462) 19.386 3.659 ( 0.000 -5.825 -3.406) 6.748 3.948 ( 0.000 -14.138 -2.858) 14.424 4.032 ( 0.000 -18.993 -5.800) 19.859 4.693 ( -0.000 12.771 14.652) 19.436 5.032 ( -0.000 10.838 -3.341) 11.341 5.747 ( 0.000 -5.559 8.108) 9.831 6.080 ( 0.000 -9.669 -4.877) 10.830 6.243 ( -0.000 9.176 2.264) 9.451 6.386 ( -0.000 9.423 -2.839) 9.841 7.604 ( 0.000 -0.506 2.595) 2.644 7.734 ( 0.000 -0.405 -2.035) 2.075 7.973 ( -0.000 13.678 1.828) 13.800 8.165 ( -0.000 4.455 -1.299) 4.641 8.837 ( -0.000 19.573 -7.767) 21.058 9.414 ( -0.000 21.784 -27.341) 34.958 9.952 ( 0.000 -17.637 14.324) 22.721 10.511 ( 0.000 -22.198 -9.260) 24.053 11.234 ( 0.000 -6.788 0.660) 6.820 11.273 ( 0.000 -6.741 -0.688) 6.776 11.572 ( 0.000 -2.508 10.194) 10.498 12.211 ( -0.000 8.859 -18.574) 20.578 12.689 ( -0.000 1.952 0.411) 1.995 12.711 ( -0.000 1.970 -0.388) 2.007 12.732 ( -0.000 8.849 2.576) 9.217 12.873 ( -0.000 2.586 -1.704) 3.097 14.298 ( 0.000 -2.173 5.452) 5.869 14.480 ( -0.000 1.669 -2.500) 3.006 15.529 ( 0.000 -3.614 10.317) 10.932 16.059 ( -0.000 6.242 -17.047) 18.154 17.774 ( 0.000 -16.333 18.916) 24.992 17.995 ( 0.000 -6.902 5.344) 8.729======================= Grid point 317 (111/219) =======================q-point: ( 0.19 0.19 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 272Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.226 ( 7.145 0.000 -0.572) 7.168 2.283 ( 4.316 0.000 -1.377) 4.531 2.802 ( 0.031 0.000 1.623) 1.623 2.814 ( 1.997 0.000 -1.718) 2.635 3.119 ( 8.911 0.000 -2.206) 9.180 3.199 ( 0.612 0.000 -6.212) 6.242 3.533 ( -4.887 -0.000 -0.630) 4.927 3.582 ( -5.385 -0.000 1.176) 5.512 3.857 ( 4.838 0.000 5.370) 7.228 4.092 ( 1.547 0.000 -1.837) 2.402 4.358 ( 10.597 0.000 1.032) 10.647 4.425 ( -11.270 -0.000 4.700) 12.211 4.470 ( 4.528 0.000 -3.759) 5.885 4.610 ( -3.791 -0.000 -2.254) 4.411 5.077 ( 17.844 0.000 8.611) 19.813 5.474 ( 19.214 0.000 -6.891) 20.412 5.496 ( 9.627 0.000 1.627) 9.763 5.595 ( 12.948 0.000 -1.317) 13.015 7.375 ( -2.538 -0.000 6.261) 6.756 7.720 ( -2.195 -0.000 -5.896) 6.291 9.005 ( 9.822 0.000 -1.079) 9.881 9.160 ( -4.266 -0.000 -7.072) 8.259 9.565 ( 12.033 0.000 0.567) 12.046 9.660 ( 6.665 0.000 -3.854) 7.699 9.743 ( -0.484 -0.000 10.428) 10.439 10.015 ( 3.916 0.000 11.260) 11.921 10.254 ( 5.689 0.000 -5.162) 7.682 10.700 ( -2.185 -0.000 -10.869) 11.087 10.759 ( 5.663 0.000 7.717) 9.572 10.797 ( 12.270 0.000 3.230) 12.688 11.148 ( 6.461 0.000 -3.162) 7.193 11.217 ( -4.323 -0.000 -6.677) 7.954 11.797 ( -18.510 -0.000 8.757) 20.477 11.833 ( -13.073 -0.000 14.898) 19.820 12.378 ( -22.206 -0.000 -7.735) 23.514 12.600 ( -12.123 -0.000 -12.614) 17.495 13.354 ( -3.065 -0.000 2.837) 4.177 13.357 ( 1.444 0.000 1.152) 1.847 15.545 ( -2.142 -0.000 2.950) 3.645 15.930 ( -2.768 -0.000 -14.954) 15.208 16.698 ( -5.004 -0.000 15.689) 16.468 17.167 ( -6.772 -0.000 -4.991) 8.412======================= Grid point 318 (112/219) =======================q-point: ( 0.25 0.19 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 512Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.331 ( 3.116 0.824 -1.575) 3.587 2.345 ( 3.472 -1.605 -1.714) 4.191 2.764 ( -2.227 2.358 2.396) 4.033 2.815 ( -1.803 -0.413 1.092) 2.148 3.219 ( 1.987 1.326 -4.844) 5.402 3.268 ( 3.980 -0.852 -4.819) 6.308 3.462 ( -1.270 2.211 0.093) 2.552 3.503 ( -2.568 -2.344 0.426) 3.503 3.937 ( 2.458 1.131 3.485) 4.412 4.084 ( -5.604 1.486 -1.580) 6.009 4.224 ( -7.139 -0.048 4.269) 8.318 4.323 ( -4.670 3.449 0.271) 5.812 4.541 ( 4.173 -7.949 0.932) 9.026 4.719 ( 5.982 -2.621 -7.600) 10.021 5.289 ( 6.567 2.085 12.351) 14.143 5.667 ( 11.671 13.288 -1.550) 17.754 5.801 ( 11.400 -3.014 -2.274) 12.009 5.828 ( 9.869 -9.469 -3.897) 14.222 7.362 ( 1.220 -0.642 6.419) 6.565 7.696 ( -0.346 -0.247 -5.428) 5.444 8.976 ( -12.125 2.854 -0.909) 12.489 9.090 ( -2.930 -1.428 -7.911) 8.556 9.643 ( 1.097 3.599 11.950) 12.528 9.702 ( -0.718 -1.771 3.961) 4.398 9.865 ( 8.580 1.175 -0.688) 8.687 10.192 ( 11.901 -0.668 0.154) 11.921 10.301 ( 3.487 2.068 -1.414) 4.294 10.640 ( -4.022 -4.107 -11.071) 12.475 10.834 ( 0.744 1.147 3.950) 4.180 11.047 ( 8.207 1.302 0.210) 8.313 11.140 ( 2.077 1.162 0.745) 2.494 11.294 ( -1.351 -2.037 -3.319) 4.122 11.491 ( -14.533 5.501 9.138) 18.027 11.585 ( -2.580 -6.032 6.544) 9.266 12.056 ( -11.696 1.809 -0.412) 11.843 12.350 ( -14.410 -0.765 -9.162) 17.093 13.295 ( -2.971 1.242 1.788) 3.683 13.371 ( -0.218 -0.753 -1.362) 1.572 15.513 ( -0.963 1.710 2.840) 3.452 15.886 ( -1.960 -0.181 -14.315) 14.450 16.629 ( -2.312 -0.497 14.701) 14.890 17.060 ( -4.384 -0.250 -4.403) 6.218======================= Grid point 319 (113/219) =======================q-point: ( 0.31 0.19 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 512Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.351 ( 0.151 -0.204 -0.021) 0.255 2.423 ( 3.319 -0.444 -2.197) 4.005 2.710 ( -1.934 2.949 1.484) 3.826 2.769 ( -2.474 0.209 0.099) 2.484 3.227 ( -1.390 3.302 -0.421) 3.607 3.269 ( -1.799 -1.708 -3.135) 3.998 3.433 ( -1.108 -1.992 2.024) 3.049 3.555 ( 3.453 -3.704 -3.845) 6.358 3.843 ( -13.158 4.774 0.206) 13.999 3.901 ( -5.088 0.705 -4.134) 6.594 4.205 ( 4.422 1.836 7.163) 8.615 4.357 ( 5.599 -0.961 0.066) 5.681 4.620 ( -0.782 -8.651 1.203) 8.769 4.801 ( 1.053 -3.502 -7.841) 8.652 5.339 ( 1.234 4.205 13.333) 14.035 5.739 ( 4.379 14.743 -3.156) 15.700 5.936 ( 2.153 -1.893 -0.649) 2.939 6.024 ( 3.260 -9.710 -3.900) 10.960 7.428 ( 5.366 0.095 5.567) 7.733 7.710 ( 1.670 -0.075 -4.432) 4.736 8.727 ( -11.839 1.141 3.153) 12.305 8.969 ( -8.933 -1.813 -7.555) 11.839 9.600 ( -2.952 2.789 3.887) 5.622 9.685 ( -5.576 -3.649 8.642) 10.912 9.888 ( -4.883 0.880 -3.968) 6.353 10.244 ( -3.259 -0.520 -7.391) 8.094 10.534 ( 15.280 0.550 3.603) 15.709 10.674 ( 4.744 -1.582 -4.649) 6.828 10.723 ( -10.565 1.007 2.921) 11.007 11.023 ( 1.063 2.147 -6.888) 7.292 11.148 ( -13.074 0.832 8.323) 15.521 11.186 ( -7.041 -2.102 2.563) 7.782 11.376 ( 13.123 -1.039 7.324) 15.064 11.802 ( 10.269 -0.056 -1.065) 10.324 11.898 ( -4.387 1.803 1.052) 4.858 12.118 ( -5.935 -1.765 -7.871) 10.014 13.236 ( -1.859 1.938 2.041) 3.373 13.362 ( -1.326 -1.533 -2.197) 2.989 15.484 ( -0.340 4.128 2.816) 5.009 15.857 ( -1.597 -1.207 -14.011) 14.153 16.619 ( 0.754 -0.878 13.760) 13.809 17.012 ( -1.101 -1.048 -3.721) 4.019======================= Grid point 320 (114/219) =======================q-point: (-0.62 0.19 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 512Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.348 ( -0.838 -1.636 1.153) 2.170 2.464 ( 1.259 2.187 -2.926) 3.864 2.658 ( -1.639 3.124 2.235) 4.176 2.732 ( -1.829 -1.005 -0.159) 2.094 3.144 ( -4.156 3.335 1.368) 5.501 3.231 ( -4.051 -2.273 -2.988) 5.524 3.448 ( -2.505 -7.287 1.687) 7.888 3.576 ( -9.719 2.140 2.689) 10.309 3.598 ( -0.940 -0.115 -5.098) 5.185 3.862 ( 0.618 -1.250 -8.830) 8.939 4.297 ( 6.450 4.664 8.520) 11.659 4.475 ( 5.547 0.350 -0.446) 5.576 4.620 ( -4.244 -10.431 1.771) 11.400 4.811 ( -1.944 -4.083 -7.288) 8.577 5.297 ( -2.511 5.538 12.270) 13.694 5.668 ( -2.703 14.617 -3.635) 15.303 5.897 ( -7.376 -1.084 0.842) 7.503 6.042 ( -6.241 -6.199 -3.924) 9.632 7.543 ( 6.967 2.019 4.088) 8.327 7.755 ( 3.073 0.426 -3.344) 4.561 8.548 ( -7.749 -3.412 4.384) 9.534 8.824 ( -8.032 -5.300 -6.384) 11.548 9.483 ( -16.079 -4.845 3.663) 17.188 9.522 ( -4.818 0.517 -1.912) 5.209 9.764 ( -7.465 1.606 0.831) 7.681 10.125 ( -9.427 0.230 -8.093) 12.426 10.473 ( -10.611 0.810 8.812) 13.816 10.630 ( -7.582 -1.931 0.181) 7.826 10.779 ( -0.454 1.085 3.622) 3.808 10.903 ( -6.465 -4.435 7.591) 10.913 11.124 ( 5.380 3.047 -6.537) 8.999 11.298 ( 16.792 -1.880 -7.956) 18.677 11.565 ( 4.063 4.473 6.704) 9.026 11.775 ( -1.374 -3.709 8.997) 9.828 11.874 ( 4.812 2.089 -2.638) 5.872 12.340 ( 19.721 -2.310 -10.861) 22.632 13.218 ( 1.088 0.782 2.926) 3.218 13.344 ( -1.468 -1.587 -1.339) 2.544 15.461 ( 0.763 4.316 2.717) 5.157 15.833 ( -2.316 -2.478 -13.626) 14.042 16.662 ( 3.334 -0.201 12.903) 13.329 17.027 ( 1.686 -1.549 -3.202) 3.937======================= Grid point 321 (115/219) =======================q-point: (-0.56 0.19 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 512Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.343 ( -1.418 -3.820 0.926) 4.178 2.437 ( -1.717 5.347 -2.922) 6.331 2.607 ( -2.304 3.486 3.831) 5.669 2.706 ( -2.181 -2.173 -0.060) 3.079 3.050 ( -4.622 -0.001 0.485) 4.647 3.151 ( -6.304 -3.302 -3.331) 7.857 3.299 ( -8.791 1.322 3.032) 9.393 3.545 ( -3.253 1.906 -6.429) 7.453 3.561 ( -1.259 -10.049 3.440) 10.696 3.887 ( -0.558 -2.071 -9.621) 9.857 4.376 ( 4.516 5.038 8.269) 10.684 4.500 ( -3.621 -3.166 -0.010) 4.809 4.636 ( 0.979 -5.874 0.911) 6.025 4.781 ( -3.298 -2.156 -5.535) 6.794 5.189 ( -5.197 5.841 10.142) 12.806 5.490 ( -6.982 13.225 -3.405) 15.338 5.674 ( -16.250 0.458 2.085) 16.389 5.867 ( -14.569 -2.430 -4.070) 15.321 7.644 ( 5.046 3.928 3.064) 7.090 7.813 ( 3.320 1.126 -2.825) 4.502 8.470 ( -5.035 -9.441 4.326) 11.542 8.739 ( -5.625 -9.607 -5.518) 12.425 9.192 ( -16.591 -4.662 2.481) 17.411 9.432 ( -5.794 -1.908 -8.048) 10.099 9.582 ( -9.078 4.327 2.625) 10.393 9.911 ( -12.758 -1.798 -6.610) 14.481 10.304 ( -8.385 0.821 8.448) 11.931 10.482 ( -9.365 -5.091 1.858) 10.820 10.567 ( -14.771 -2.516 7.971) 16.972 10.935 ( 2.517 1.032 11.003) 11.334 11.117 ( -6.658 -1.973 -12.822) 14.582 11.585 ( 14.205 6.035 -6.672) 16.814 11.637 ( 10.114 1.106 6.349) 11.993 11.949 ( 11.769 -3.579 12.811) 17.761 12.073 ( 17.883 -0.229 -6.663) 19.085 12.726 ( 18.710 -1.057 -15.787) 24.503 13.282 ( 6.164 -0.751 4.419) 7.622 13.331 ( -0.089 -0.752 2.049) 2.185 15.472 ( 2.279 1.751 1.859) 3.423 15.794 ( -3.800 -3.983 -12.193) 13.378 16.742 ( 5.434 1.005 11.913) 13.132 17.086 ( 3.520 -1.742 -2.859) 4.858======================= Grid point 322 (116/219) =======================q-point: (-0.50 0.19 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 512Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.314 ( -5.399 -0.594 -1.074) 5.537 2.348 ( -3.666 4.608 -1.647) 6.114 2.532 ( -3.447 1.752 5.396) 6.638 2.656 ( -4.443 -1.108 -0.238) 4.585 2.967 ( -5.781 -0.535 -1.527) 6.003 3.032 ( -5.716 -3.309 -1.382) 6.747 3.212 ( -2.076 -4.636 3.223) 6.016 3.418 ( -9.207 1.286 -5.474) 10.788 3.560 ( -7.115 -11.454 2.358) 13.689 3.827 ( -6.555 -0.089 -8.724) 10.913 4.343 ( -8.774 -3.215 3.395) 9.942 4.470 ( 0.883 4.988 3.281) 6.035 4.621 ( -9.644 -2.375 -2.365) 10.210 4.725 ( 0.310 3.486 -0.698) 3.568 5.068 ( -3.575 4.543 6.902) 9.004 5.287 ( -13.883 6.582 -1.116) 15.405 5.324 ( -12.445 2.144 1.517) 12.719 5.559 ( -16.943 0.189 -3.982) 17.406 7.678 ( 1.327 4.529 2.932) 5.556 7.857 ( 2.043 1.715 -3.229) 4.188 8.422 ( -8.572 -13.113 4.594) 16.326 8.702 ( -6.463 -12.415 -4.908) 14.832 8.940 ( -11.732 -1.367 2.719) 12.120 9.276 ( -10.685 1.516 -11.681) 15.903 9.476 ( -0.550 -2.525 2.258) 3.432 9.698 ( -11.423 -5.120 -4.334) 13.247 10.105 ( -12.343 1.019 5.324) 13.481 10.278 ( -15.894 -6.079 0.061) 17.017 10.372 ( -7.322 -4.205 10.385) 13.384 10.874 ( -7.100 0.795 1.373) 7.275 11.142 ( 9.672 -1.700 2.844) 10.224 11.761 ( 7.520 3.301 -6.555) 10.508 11.900 ( 17.220 1.002 9.688) 19.784 12.140 ( 7.797 1.191 11.871) 14.252 12.487 ( 21.983 -1.270 -14.374) 26.296 12.987 ( 7.659 -1.000 -17.481) 19.111 13.358 ( 4.758 1.103 8.046) 9.413 13.508 ( 17.507 0.817 2.204) 17.665 15.520 ( 2.521 -1.319 0.416) 2.875 15.747 ( -3.724 -6.525 -9.855) 12.393 16.852 ( 7.086 1.876 11.079) 13.285 17.179 ( 5.212 -2.389 -2.558) 6.278======================= Grid point 323 (117/219) =======================q-point: (-0.44 0.19 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 512Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.120 ( -11.212 8.913 -1.484) 14.400 2.239 ( -7.331 1.545 -4.219) 8.599 2.445 ( -6.098 2.690 8.509) 10.809 2.568 ( -5.262 -1.962 2.107) 5.998 2.854 ( -5.346 -2.010 -2.916) 6.413 2.999 ( -2.310 -3.789 -4.213) 6.119 3.173 ( -16.680 -4.034 0.085) 17.161 3.233 ( -1.719 -10.066 0.808) 10.244 3.411 ( -14.166 -10.023 1.336) 17.404 3.659 ( -11.021 0.832 -6.851) 13.004 4.103 ( -16.837 2.188 1.267) 17.026 4.287 ( -21.238 1.851 -4.512) 21.791 4.354 ( -13.893 11.161 8.054) 19.556 4.709 ( -6.071 6.186 -5.938) 10.507 4.889 ( -8.766 1.259 5.067) 10.203 5.079 ( -1.840 0.667 0.122) 1.961 5.179 ( -4.025 1.209 3.825) 5.682 5.393 ( 0.241 -3.690 -3.193) 4.886 7.655 ( -1.134 3.203 2.808) 4.408 7.861 ( -1.034 1.292 -4.327) 4.632 8.264 ( -15.648 -11.750 5.719) 20.387 8.586 ( -13.119 -10.658 -5.525) 17.782 8.745 ( -10.121 2.704 3.096) 10.924 9.051 ( -13.375 2.061 -9.360) 16.455 9.530 ( 0.613 -7.101 -1.584) 7.301 9.556 ( -7.240 -5.927 -1.553) 9.485 9.877 ( -10.034 -4.944 4.667) 12.121 10.063 ( -9.771 -7.424 0.072) 12.272 10.281 ( -4.980 -5.147 9.446) 11.854 10.775 ( -2.649 -1.246 -3.740) 4.750 11.399 ( 16.189 1.646 7.144) 17.771 11.848 ( 2.411 0.878 2.085) 3.307 12.159 ( 7.285 3.211 6.920) 10.548 12.289 ( 13.932 2.691 7.008) 15.826 12.808 ( 10.601 0.531 -15.881) 19.101 13.064 ( 1.320 -0.596 -14.151) 14.225 13.539 ( 16.204 2.308 11.235) 19.853 13.878 ( 21.426 4.110 -4.081) 22.195 15.565 ( 1.064 -3.351 -0.268) 3.526 15.752 ( -0.716 -9.259 -8.636) 12.682 16.986 ( 8.323 1.977 11.322) 14.190 17.311 ( 7.028 -3.444 -2.181) 8.125======================= Grid point 324 (118/219) =======================q-point: (-0.38 0.19 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 512Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.817 ( -13.894 12.953 -1.907) 19.091 2.065 ( -9.763 1.296 -8.795) 13.204 2.237 ( -12.340 9.334 10.600) 18.755 2.467 ( -9.226 -3.714 4.531) 10.929 2.713 ( -15.272 -0.501 -2.972) 15.566 2.824 ( -14.168 -2.373 -0.667) 14.381 3.012 ( -5.395 -8.041 -1.432) 9.788 3.189 ( -10.381 -15.878 -4.380) 19.470 3.289 ( -3.313 -8.369 2.340) 9.300 3.392 ( -17.752 -0.929 -1.272) 17.822 3.728 ( -18.085 8.516 6.163) 20.918 3.829 ( -24.888 1.008 -1.960) 24.985 3.893 ( -25.890 6.561 1.558) 26.754 4.397 ( -13.466 13.300 -14.276) 23.707 4.909 ( 3.300 0.589 6.913) 7.683 5.030 ( 2.517 6.812 2.913) 7.825 5.261 ( 6.324 -6.892 4.082) 10.206 5.496 ( 5.213 -8.556 -3.693) 10.678 7.603 ( -3.516 1.245 1.123) 3.895 7.765 ( -11.720 -1.798 -4.663) 12.741 8.003 ( -16.149 -6.190 6.996) 18.657 8.344 ( -17.704 -8.199 -6.405) 20.535 8.516 ( -11.899 2.340 1.805) 12.260 8.710 ( -21.554 0.298 -4.123) 21.947 9.454 ( -5.424 1.519 -0.053) 5.633 9.510 ( -3.516 -3.359 -2.159) 5.321 9.838 ( -3.713 -11.149 1.409) 11.835 10.004 ( -3.922 -12.884 -1.654) 13.568 10.293 ( 5.047 -6.509 12.370) 14.861 10.808 ( 4.645 -3.433 -5.655) 8.084 11.643 ( 7.074 5.986 6.388) 11.255 11.884 ( 7.255 -0.372 11.205) 13.354 12.231 ( 6.345 7.995 -6.888) 12.314 12.560 ( 12.429 -1.282 5.463) 13.637 12.890 ( 0.717 3.721 -10.085) 10.773 13.078 ( 0.936 0.726 -7.211) 7.307 13.894 ( 21.234 3.435 6.104) 22.359 14.204 ( 14.755 4.738 -5.969) 16.607 15.633 ( 4.314 -4.628 -1.416) 6.484 15.793 ( -1.241 -9.079 -9.137) 12.940 17.143 ( 9.431 1.149 12.969) 16.077 17.477 ( 8.185 -4.288 -1.397) 9.346======================= Grid point 325 (119/219) =======================q-point: (-0.31 0.19 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 512Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.474 ( -12.805 17.026 -2.075) 21.405 1.862 ( -17.798 7.411 2.244) 19.409 1.892 ( -12.111 2.622 -7.796) 14.641 2.137 ( -26.346 -3.012 -2.312) 26.619 2.435 ( -11.641 6.479 6.317) 14.745 2.607 ( -8.745 -1.608 4.750) 10.081 2.866 ( -14.629 -2.370 0.141) 14.820 2.989 ( -20.169 1.775 4.415) 20.723 3.079 ( -15.901 -2.804 0.349) 16.150 3.232 ( -21.390 9.958 5.490) 24.224 3.314 ( -4.416 -11.424 -2.269) 12.456 3.431 ( -14.981 -11.080 -3.666) 18.990 3.624 ( -4.319 -10.767 0.269) 11.604 4.133 ( -5.892 15.712 -21.221) 27.054 4.924 ( 2.098 9.374 11.521) 15.000 5.094 ( 5.444 3.662 1.357) 6.700 5.427 ( 6.187 -8.372 3.862) 11.103 5.657 ( 5.239 -12.042 -3.883) 13.694 7.387 ( -28.333 -5.067 -0.828) 28.795 7.427 ( -20.192 1.508 -4.151) 20.669 7.748 ( -11.145 -0.289 7.790) 13.601 8.083 ( -12.821 -2.057 -7.885) 15.192 8.281 ( -14.226 -1.263 0.176) 14.283 8.348 ( -12.705 -3.743 0.026) 13.245 9.338 ( -2.924 12.327 2.087) 12.840 9.511 ( 0.872 -6.071 0.595) 6.162 9.784 ( -6.217 -6.208 -2.285) 9.078 10.015 ( -3.281 -16.983 -5.605) 18.183 10.557 ( 16.710 -7.693 12.410) 22.190 10.951 ( 6.132 -6.450 -3.230) 9.467 11.608 ( -2.612 4.176 12.099) 13.063 12.166 ( 19.574 3.388 2.446) 20.015 12.307 ( 6.219 7.929 -13.194) 16.602 12.690 ( 0.062 1.038 -9.634) 9.690 12.889 ( 3.581 3.151 5.540) 7.311 13.083 ( -0.071 2.443 -0.265) 2.458 14.236 ( 16.559 4.114 1.303) 17.112 14.352 ( 3.385 2.649 -2.574) 5.010 15.702 ( -4.455 -6.598 -1.946) 8.195 15.860 ( 7.671 -3.428 -12.318) 14.911 17.324 ( 9.906 -0.632 15.707) 18.580 17.658 ( 7.974 -5.035 0.173) 9.432======================= Grid point 326 (120/219) =======================q-point: (-0.25 0.19 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 512Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.170 ( -7.401 20.787 -0.955) 22.086 1.348 ( -25.456 11.800 5.457) 28.583 1.632 ( -21.335 2.474 -5.407) 22.148 1.787 ( -5.916 -4.468 -18.227) 19.677 2.211 ( -3.566 17.044 13.242) 21.876 2.463 ( -8.706 5.199 -0.087) 10.141 2.529 ( -16.629 6.117 9.300) 20.011 2.704 ( -14.647 -1.195 6.406) 16.031 2.713 ( -10.575 -2.535 10.701) 15.257 2.803 ( -16.305 2.960 -1.501) 16.640 3.348 ( -1.317 -12.484 -1.957) 12.705 3.448 ( 0.592 -18.745 -11.416) 21.956 3.678 ( 0.290 -15.533 0.318) 15.539 3.983 ( -1.548 13.122 -21.262) 25.033 4.896 ( 1.469 11.930 13.661) 18.196 5.152 ( 3.253 5.861 -0.758) 6.746 5.574 ( 4.084 -8.657 5.006) 10.802 5.819 ( 4.016 -13.517 -3.878) 14.624 6.802 ( -32.274 1.699 0.027) 32.318 6.886 ( -28.412 7.481 -2.951) 29.528 7.628 ( -3.571 -0.288 4.227) 5.541 7.840 ( -11.412 0.056 -3.942) 12.073 8.117 ( -4.473 -0.980 -0.692) 4.631 8.231 ( -3.962 -2.791 -1.132) 4.977 9.199 ( -1.483 20.871 2.614) 21.087 9.593 ( 2.354 -9.542 2.735) 10.201 9.709 ( -4.022 -2.553 -6.164) 7.790 10.100 ( 0.340 -21.346 -8.029) 22.808 10.938 ( 17.477 -7.336 6.576) 20.062 11.075 ( 2.427 -8.244 -0.244) 8.597 11.560 ( -0.752 1.541 12.269) 12.388 12.344 ( 2.996 8.252 -18.420) 20.405 12.523 ( 18.562 3.708 -1.524) 18.990 12.660 ( 1.473 4.241 -8.043) 9.211 12.918 ( -1.101 1.916 7.127) 7.462 13.025 ( -4.580 3.983 0.264) 6.076 14.331 ( -3.058 0.863 2.549) 4.074 14.446 ( 7.769 3.207 -1.743) 8.584 15.587 ( -8.857 -4.111 3.459) 10.359 16.038 ( 7.972 0.343 -17.556) 19.284 17.510 ( 7.873 -4.129 18.563) 20.582 17.821 ( 5.580 -6.052 2.390) 8.572======================= Grid point 327 (121/219) =======================q-point: (-0.19 0.19 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 272Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.959 ( -0.000 16.376 8.489) 18.446 0.979 ( -0.000 23.164 1.565) 23.216 1.380 ( -0.000 2.761 -6.854) 7.389 1.767 ( 0.000 -4.231 -21.355) 21.770 2.068 ( -0.000 35.867 26.947) 44.862 2.244 ( 0.000 -0.388 2.461) 2.491 2.391 ( 0.000 -0.530 -3.553) 3.592 2.540 ( -0.000 0.550 2.724) 2.779 2.625 ( -0.000 1.838 -0.976) 2.081 2.692 ( 0.000 -10.171 15.627) 18.645 3.402 ( 0.000 -8.427 -7.772) 11.464 3.554 ( 0.000 -14.149 -9.044) 16.793 3.782 ( 0.000 -18.116 -3.325) 18.419 3.919 ( -0.000 4.795 -14.990) 15.738 4.841 ( -0.000 12.691 14.345) 19.153 5.142 ( -0.000 8.153 -2.265) 8.462 5.667 ( 0.000 -8.330 6.449) 10.534 5.947 ( 0.000 -13.486 -4.351) 14.170 6.366 ( -0.000 12.266 2.283) 12.477 6.512 ( -0.000 12.458 -2.927) 12.798 7.598 ( 0.000 -0.671 2.660) 2.743 7.729 ( 0.000 -0.554 -2.029) 2.104 8.072 ( -0.000 3.383 -0.789) 3.473 8.200 ( -0.000 1.055 -0.945) 1.416 9.060 ( -0.000 21.430 0.142) 21.430 9.619 ( -0.000 12.229 -18.029) 21.785 9.729 ( 0.000 -19.985 11.092) 22.857 10.240 ( 0.000 -24.117 -8.888) 25.703 11.145 ( 0.000 -8.677 0.671) 8.703 11.184 ( 0.000 -8.633 -0.696) 8.661 11.552 ( 0.000 -0.639 11.570) 11.588 12.317 ( -0.000 9.382 -20.532) 22.574 12.712 ( -0.000 2.149 0.414) 2.188 12.735 ( -0.000 2.182 -0.395) 2.218 12.822 ( -0.000 6.421 1.659) 6.632 12.913 ( -0.000 4.562 -2.527) 5.215 14.286 ( -0.000 0.051 5.848) 5.848 14.501 ( -0.000 2.084 -2.724) 3.430 15.499 ( 0.000 -1.732 9.342) 9.501 16.109 ( -0.000 2.588 -19.680) 19.850 17.632 ( 0.000 -8.759 19.919) 21.759 17.916 ( 0.000 -6.918 3.995) 7.988======================= Grid point 334 (122/219) =======================q-point: ( 0.25 0.25 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 272Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.350 ( -0.143 -0.000 -0.229) 0.270 2.420 ( 3.880 0.000 -2.240) 4.480 2.729 ( -2.093 -0.000 1.499) 2.575 2.770 ( -2.570 -0.000 0.591) 2.637 3.243 ( 0.032 0.000 -2.579) 2.579 3.262 ( -3.064 -0.000 -0.517) 3.108 3.425 ( -3.502 -0.000 2.050) 4.057 3.529 ( 4.593 0.000 -4.755) 6.611 3.875 ( -14.751 -0.000 -0.161) 14.752 3.904 ( -4.549 -0.000 -3.601) 5.802 4.215 ( 5.209 0.000 7.368) 9.024 4.351 ( 5.571 0.000 0.543) 5.598 4.568 ( 0.013 0.000 1.235) 1.235 4.781 ( 1.272 0.000 -8.997) 9.087 5.364 ( 1.217 0.000 14.616) 14.667 5.890 ( 1.991 0.000 -6.739) 7.027 5.898 ( 5.359 0.000 -0.206) 5.363 5.929 ( 2.932 0.000 -1.604) 3.342 7.428 ( 5.815 0.000 5.535) 8.028 7.709 ( 1.791 0.000 -4.452) 4.799 8.734 ( -12.947 -0.000 2.906) 13.269 8.958 ( -9.420 -0.000 -7.481) 12.029 9.624 ( -4.655 -0.000 1.430) 4.870 9.656 ( -4.602 -0.000 11.519) 12.404 9.893 ( -5.527 -0.000 -4.309) 7.008 10.241 ( -3.191 -0.000 -7.657) 8.296 10.537 ( 16.499 0.000 3.479) 16.862 10.664 ( 5.332 0.000 -4.343) 6.877 10.729 ( -11.776 -0.000 3.104) 12.178 11.036 ( 0.936 0.000 -6.555) 6.622 11.158 ( -17.622 -0.000 8.983) 19.780 11.168 ( -4.159 -0.000 1.774) 4.522 11.370 ( 14.291 0.000 7.484) 16.132 11.801 ( 11.523 0.000 -0.422) 11.531 11.910 ( -4.538 -0.000 0.876) 4.621 12.106 ( -6.905 -0.000 -8.611) 11.038 13.249 ( -2.106 -0.000 1.646) 2.673 13.352 ( -1.342 -0.000 -1.793) 2.240 15.510 ( -0.189 -0.000 2.240) 2.248 15.849 ( -1.969 -0.000 -13.322) 13.467 16.614 ( 0.916 0.000 13.591) 13.622 17.006 ( -1.220 -0.000 -3.731) 3.925======================= Grid point 335 (123/219) =======================q-point: (-0.69 0.25 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 512Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.335 ( -1.533 -0.617 1.858) 2.486 2.482 ( 2.721 0.804 -2.660) 3.890 2.687 ( -1.980 1.668 0.373) 2.616 2.723 ( -2.426 -0.532 -0.091) 2.485 3.182 ( -4.585 2.721 1.195) 5.465 3.208 ( -4.528 -1.634 -1.012) 4.919 3.378 ( -2.161 -3.806 3.047) 5.333 3.594 ( 1.423 -0.256 -5.894) 6.069 3.602 ( -12.754 1.441 2.020) 12.993 3.853 ( -0.318 -0.295 -9.484) 9.494 4.338 ( 7.435 2.218 9.138) 11.988 4.473 ( 5.969 -0.399 0.394) 5.995 4.535 ( -4.239 -4.057 1.193) 5.988 4.780 ( -1.276 -1.407 -9.049) 9.246 5.342 ( -2.781 2.069 14.307) 14.721 5.817 ( -4.211 10.724 -4.809) 12.484 5.889 ( -6.416 0.295 -0.027) 6.423 5.955 ( -4.838 -8.723 -3.089) 10.442 7.559 ( 7.608 0.717 3.816) 8.542 7.758 ( 3.241 0.124 -3.239) 4.584 8.522 ( -9.654 -1.117 4.295) 10.625 8.782 ( -9.142 -1.919 -6.134) 11.175 9.445 ( -16.257 -1.757 4.227) 16.889 9.526 ( -5.599 0.194 -3.171) 6.437 9.777 ( -6.388 0.600 1.234) 6.534 10.127 ( -9.467 0.162 -8.064) 12.437 10.478 ( -11.488 0.160 7.954) 13.974 10.613 ( -9.306 -0.850 -0.635) 9.366 10.803 ( 4.949 2.499 4.943) 7.428 10.856 ( -10.733 -3.435 8.243) 13.963 11.148 ( 1.718 1.082 -5.257) 5.635 11.282 ( 20.577 -0.788 -9.847) 22.826 11.612 ( 10.072 3.104 10.239) 14.694 11.732 ( -7.328 -2.977 6.309) 10.118 11.895 ( 3.984 1.139 -1.912) 4.564 12.319 ( 20.388 -1.080 -11.893) 23.628 13.226 ( 0.202 0.462 2.520) 2.570 13.330 ( -1.096 -0.728 -0.863) 1.574 15.502 ( 0.035 2.168 1.649) 2.724 15.809 ( -2.876 -1.377 -12.159) 12.571 16.661 ( 3.871 -0.046 12.285) 12.880 17.014 ( 1.718 -0.642 -3.075) 3.581======================= Grid point 336 (124/219) =======================q-point: (-0.62 0.25 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 512Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.306 ( -2.399 -2.430 3.083) 4.601 2.497 ( -0.009 4.553 -3.653) 5.837 2.638 ( -2.112 1.821 1.237) 3.050 2.683 ( -2.670 -1.739 0.088) 3.188 3.059 ( -6.529 1.415 0.387) 6.692 3.114 ( -6.512 -2.788 -1.915) 7.338 3.319 ( -6.900 1.649 3.032) 7.715 3.453 ( -3.246 -7.015 5.525) 9.501 3.571 ( -3.670 1.435 -5.795) 7.008 3.871 ( 0.399 -0.871 -12.251) 12.289 4.400 ( -3.536 -1.194 6.243) 7.274 4.486 ( 2.459 2.094 2.363) 4.001 4.579 ( 2.466 -4.451 -0.136) 5.090 4.768 ( -0.325 -0.404 -5.807) 5.831 5.241 ( -6.049 3.208 12.463) 14.220 5.624 ( -9.662 9.555 -3.889) 14.134 5.681 ( -15.035 1.359 0.984) 15.128 5.823 ( -13.164 -5.278 -3.846) 14.695 7.679 ( 5.415 2.138 2.552) 6.356 7.822 ( 3.551 0.518 -2.559) 4.408 8.387 ( -6.831 -4.930 4.580) 9.588 8.654 ( -6.611 -5.188 -5.320) 9.946 9.147 ( -15.679 -2.894 3.209) 16.264 9.416 ( -6.425 -0.919 -8.980) 11.080 9.624 ( -8.747 2.745 2.021) 9.387 9.896 ( -14.031 -0.843 -5.436) 15.071 10.310 ( -7.846 0.407 6.441) 10.159 10.431 ( -10.548 -3.489 0.635) 11.128 10.549 ( -15.277 -0.857 10.010) 18.285 10.942 ( 4.725 0.366 11.615) 12.544 11.098 ( -8.401 -1.190 -12.686) 15.262 11.626 ( 12.807 1.124 -9.195) 15.806 11.671 ( 10.085 4.503 10.655) 15.346 11.904 ( 14.153 -3.929 10.483) 18.045 12.077 ( 16.686 0.582 -5.563) 17.598 12.713 ( 19.153 -1.011 -16.697) 25.429 13.275 ( 6.058 -0.416 4.514) 7.567 13.325 ( 0.505 -0.430 2.131) 2.232 15.494 ( 0.693 1.910 0.838) 2.198 15.752 ( -4.541 -3.013 -10.589) 11.909 16.752 ( 5.949 0.665 10.956) 12.485 17.069 ( 3.526 -1.073 -2.491) 4.449======================= Grid point 337 (125/219) =======================q-point: (-0.56 0.25 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 512Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.271 ( -3.710 -4.300 2.642) 6.264 2.426 ( -3.682 7.294 -3.283) 8.806 2.565 ( -4.496 3.113 2.661) 6.082 2.642 ( -3.150 -1.542 -0.462) 3.538 2.949 ( -4.984 -2.303 -0.865) 5.558 3.000 ( -7.074 -2.732 -2.996) 8.154 3.191 ( -4.634 1.389 4.935) 6.911 3.427 ( -9.877 -2.388 -0.968) 10.208 3.441 ( -6.954 -6.703 1.619) 9.793 3.830 ( -5.417 0.406 -10.848) 12.132 4.301 ( -7.457 -3.332 1.180) 8.252 4.503 ( -2.330 -0.034 -4.588) 5.146 4.616 ( -0.291 1.965 5.103) 5.476 4.755 ( -0.949 1.877 0.153) 2.109 5.107 ( -5.335 2.374 9.499) 11.151 5.319 ( -21.238 1.030 2.317) 21.389 5.389 ( -9.635 6.936 -3.634) 12.416 5.552 ( -16.160 -1.442 -4.244) 16.770 7.724 ( 0.926 3.244 2.445) 4.166 7.874 ( 2.152 1.192 -2.952) 3.843 8.296 ( -8.147 -8.694 5.046) 12.939 8.581 ( -6.155 -8.360 -4.934) 11.495 8.919 ( -9.643 -1.903 3.124) 10.313 9.284 ( -8.570 0.048 -12.188) 14.899 9.464 ( -5.401 0.040 1.586) 5.629 9.650 ( -12.739 -3.142 -3.392) 13.552 10.116 ( -13.135 1.052 3.280) 13.579 10.218 ( -15.244 -4.537 -0.650) 15.918 10.332 ( -8.059 -2.764 12.156) 14.844 10.877 ( -8.790 -0.244 -2.501) 9.142 11.129 ( 11.534 -0.596 8.003) 14.052 11.777 ( 5.697 0.157 -1.533) 5.901 11.923 ( 16.002 2.376 8.685) 18.362 12.153 ( 11.165 1.061 7.228) 13.343 12.478 ( 22.621 -0.315 -14.118) 26.666 12.974 ( 7.401 -1.098 -17.564) 19.091 13.369 ( 5.505 0.759 8.185) 9.893 13.515 ( 19.347 0.440 1.838) 19.439 15.510 ( 1.213 -0.472 -0.508) 1.397 15.679 ( -5.169 -5.134 -8.364) 11.092 16.872 ( 7.343 1.464 9.857) 12.378 17.156 ( 4.886 -1.645 -1.899) 5.494======================= Grid point 338 (126/219) =======================q-point: (-0.50 0.25 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 512Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.179 ( -8.625 0.163 -0.105) 8.627 2.283 ( -6.802 7.259 -2.793) 10.333 2.457 ( -5.464 0.469 4.876) 7.338 2.568 ( -4.574 1.291 -0.564) 4.786 2.864 ( -5.417 2.420 -1.445) 6.107 2.924 ( -3.074 -7.676 -1.080) 8.339 3.119 ( -9.497 -7.787 -0.431) 12.289 3.155 ( -14.850 -1.587 -0.979) 14.967 3.314 ( -11.557 -6.814 5.148) 14.370 3.668 ( -11.631 0.447 -7.151) 13.661 4.125 ( -13.071 1.766 -1.958) 13.334 4.302 ( -19.210 0.762 -5.950) 20.125 4.477 ( -13.306 10.111 8.252) 18.638 4.746 ( -0.140 0.248 0.164) 0.329 4.912 ( -16.500 2.934 1.955) 16.872 5.057 ( -0.990 -3.285 3.095) 4.621 5.216 ( -5.828 3.932 -0.185) 7.033 5.358 ( -2.750 -2.544 -2.927) 4.754 7.689 ( -2.241 2.769 2.515) 4.361 7.874 ( -1.983 0.950 -4.284) 4.815 8.149 ( -12.615 -8.164 6.153) 16.237 8.472 ( -11.517 -8.799 -5.266) 15.420 8.772 ( -8.450 1.819 3.093) 9.180 9.080 ( -13.123 2.891 -8.955) 16.148 9.447 ( 0.640 -7.062 -1.643) 7.279 9.488 ( -6.090 -5.558 -2.242) 8.544 9.834 ( -14.917 -2.481 3.363) 15.492 9.983 ( -12.116 -6.633 -1.951) 13.950 10.233 ( -4.464 -3.258 12.408) 13.583 10.766 ( -2.837 -0.471 -5.136) 5.886 11.415 ( 18.011 1.141 10.158) 20.709 11.847 ( 1.294 -0.654 5.430) 5.620 12.182 ( 10.889 1.306 8.335) 13.775 12.336 ( 11.669 4.604 1.011) 12.585 12.816 ( 12.041 0.844 -15.961) 20.012 13.055 ( 1.878 -0.915 -14.235) 14.387 13.565 ( 16.967 2.209 12.029) 20.916 13.920 ( 22.559 3.190 -4.440) 23.212 15.530 ( 0.004 -2.591 -1.499) 2.993 15.650 ( -1.594 -8.308 -6.919) 10.929 17.008 ( 8.226 1.914 9.754) 12.902 17.275 ( 6.586 -2.712 -1.291) 7.239======================= Grid point 339 (127/219) =======================q-point: (-0.44 0.25 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 512Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.949 ( -12.080 8.842 -2.712) 15.214 2.095 ( -9.313 4.949 -4.922) 11.638 2.307 ( -11.681 2.939 7.463) 14.169 2.456 ( -7.960 1.684 0.584) 8.157 2.714 ( -15.261 -0.206 -0.343) 15.267 2.792 ( -12.659 -1.998 1.491) 12.903 2.923 ( -2.961 -8.480 -3.048) 9.485 3.015 ( -11.997 -13.510 -3.062) 18.326 3.197 ( -4.728 -7.296 3.332) 9.310 3.383 ( -18.402 -0.697 -2.472) 18.580 3.790 ( -19.176 2.914 -1.672) 19.468 3.850 ( -26.340 2.322 -2.038) 26.521 4.014 ( -25.694 13.834 7.673) 30.174 4.546 ( -10.583 12.734 -12.458) 20.721 4.866 ( 3.314 -7.710 7.409) 11.194 5.103 ( 3.160 4.312 0.731) 5.396 5.186 ( 3.409 -5.100 4.507) 7.612 5.411 ( 3.702 -6.110 -3.211) 7.832 7.618 ( -4.560 1.340 1.034) 4.864 7.741 ( -14.209 -2.234 -3.081) 14.710 7.956 ( -10.085 -2.348 5.527) 11.737 8.250 ( -16.403 -7.960 -4.842) 18.865 8.543 ( -13.747 2.252 1.297) 13.991 8.724 ( -22.644 1.954 -4.571) 23.183 9.439 ( -4.986 -2.707 -0.741) 5.722 9.489 ( 0.348 -1.058 -1.529) 1.892 9.716 ( -0.953 -10.179 -0.270) 10.227 9.854 ( -7.473 -13.009 -3.097) 15.320 10.234 ( 4.091 -3.899 15.048) 16.075 10.778 ( 3.210 -1.862 -5.823) 6.905 11.709 ( 8.298 5.474 7.541) 12.477 11.880 ( 8.848 -0.430 11.596) 14.593 12.308 ( 6.374 5.464 -3.824) 9.226 12.553 ( 11.131 0.004 1.323) 11.210 12.930 ( 2.313 3.237 -8.404) 9.298 13.083 ( 1.640 0.253 -8.646) 8.803 13.935 ( 21.986 3.612 6.635) 23.247 14.255 ( 14.083 4.201 -5.669) 15.752 15.580 ( 3.657 -4.524 -2.499) 6.332 15.689 ( 0.057 -8.836 -7.921) 11.867 17.159 ( 8.932 1.583 11.150) 14.374 17.431 ( 7.860 -3.744 -0.536) 8.723======================= Grid point 340 (128/219) =======================q-point: (-0.38 0.25 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 512Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.659 ( -11.152 14.164 -4.042) 18.475 1.895 ( -9.587 2.616 -8.331) 12.968 1.963 ( -20.836 6.464 4.594) 22.294 2.123 ( -24.807 0.918 -2.066) 24.910 2.492 ( -6.794 2.335 6.736) 9.848 2.587 ( -10.391 -0.152 4.625) 11.375 2.850 ( -12.123 -1.027 -4.952) 13.136 2.944 ( -6.986 -14.292 -2.366) 16.084 3.021 ( -17.405 -2.603 1.297) 17.647 3.151 ( -5.478 -10.998 -1.101) 12.337 3.350 ( -23.918 -2.710 -0.793) 24.084 3.428 ( -25.535 12.404 4.277) 28.709 3.530 ( -6.659 -0.463 5.979) 8.961 4.320 ( -4.636 16.893 -19.602) 26.289 4.973 ( 3.466 -3.079 9.293) 10.385 5.134 ( 3.991 5.124 5.202) 8.322 5.327 ( 5.428 -9.282 1.292) 10.830 5.531 ( 4.062 -9.287 -4.059) 10.919 7.355 ( -24.688 -0.874 0.917) 24.721 7.455 ( -17.446 3.100 -4.627) 18.314 7.751 ( -10.653 0.635 7.155) 12.848 8.039 ( -9.316 -5.699 -5.991) 12.456 8.266 ( -18.310 -1.019 -0.567) 18.348 8.309 ( -14.317 -2.655 -1.213) 14.611 9.353 ( -6.009 -8.149 2.684) 10.475 9.516 ( 4.026 6.092 0.734) 7.339 9.710 ( -5.774 -7.893 -4.414) 10.730 9.864 ( 0.470 -8.433 -3.781) 9.254 10.468 ( 16.287 -7.646 13.079) 22.244 10.882 ( 4.516 -5.552 -3.380) 7.915 11.670 ( -2.396 6.671 12.982) 14.791 12.200 ( 20.129 2.546 2.178) 20.406 12.389 ( 5.975 6.296 -11.235) 14.197 12.691 ( 2.390 -0.652 -6.237) 6.711 12.931 ( 1.832 3.960 2.802) 5.185 13.107 ( 0.712 1.697 -1.659) 2.477 14.284 ( 16.481 4.166 1.244) 17.045 14.382 ( 2.104 2.649 -1.795) 3.829 15.623 ( -4.342 -7.052 -1.710) 8.457 15.820 ( 10.500 -3.588 -13.188) 17.234 17.323 ( 8.996 0.374 13.666) 16.365 17.602 ( 7.579 -4.580 0.725) 8.885======================= Grid point 341 (129/219) =======================q-point: (-0.31 0.25 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 512Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.385 ( -9.889 14.810 -1.785) 17.897 1.490 ( -18.181 14.120 0.025) 23.020 1.654 ( -21.351 0.464 -3.560) 21.651 1.765 ( -4.487 2.343 -13.420) 14.343 2.320 ( -7.081 4.738 4.656) 9.710 2.468 ( -5.996 -1.875 2.909) 6.924 2.584 ( -11.482 -1.741 5.323) 12.775 2.689 ( -12.583 2.437 5.122) 13.803 2.784 ( -13.546 4.184 2.436) 14.385 2.906 ( -16.895 20.597 9.740) 28.364 3.175 ( -3.600 -18.362 -2.517) 18.880 3.211 ( 0.104 -19.429 -6.945) 20.634 3.526 ( -0.481 -11.196 2.621) 11.509 4.166 ( -1.542 17.806 -23.034) 29.155 5.009 ( 1.607 6.375 12.608) 14.220 5.191 ( 3.179 1.360 2.786) 4.440 5.469 ( 3.630 -9.611 2.052) 10.476 5.663 ( 3.123 -12.917 -4.391) 13.996 6.853 ( -24.425 6.610 1.486) 25.347 6.985 ( -23.283 9.425 -3.475) 25.358 7.625 ( -4.016 -0.353 4.341) 5.925 7.839 ( -11.907 -0.226 -3.930) 12.541 8.078 ( -4.069 -5.936 -0.917) 7.254 8.175 ( -4.671 -6.012 -1.789) 7.821 9.315 ( -3.424 -8.792 3.653) 10.118 9.539 ( 2.794 12.098 7.788) 14.656 9.667 ( -2.972 -10.562 -9.703) 14.647 9.928 ( 1.802 -6.504 -4.154) 7.925 10.847 ( 16.706 -8.304 5.321) 19.400 10.980 ( 1.490 -8.276 -0.384) 8.418 11.602 ( -0.856 6.024 13.354) 14.674 12.427 ( 3.687 6.060 -17.022) 18.441 12.565 ( 17.222 3.530 -1.278) 17.626 12.699 ( 1.531 2.571 -6.422) 7.084 12.938 ( -1.056 1.583 6.939) 7.195 13.068 ( -3.494 3.542 -0.822) 5.043 14.345 ( -3.231 1.594 2.760) 4.539 14.483 ( 6.828 3.145 -2.125) 7.812 15.543 ( -6.158 -3.644 3.183) 7.831 16.031 ( 8.720 -1.387 -19.027) 20.976 17.478 ( 6.579 -1.646 16.243) 17.601 17.754 ( 5.028 -5.582 2.401) 7.887======================= Grid point 342 (130/219) =======================q-point: (-0.25 0.25 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 272Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.132 ( -0.000 13.869 5.291) 14.844 1.252 ( -0.000 23.736 -5.437) 24.351 1.411 ( -0.000 2.467 -4.634) 5.250 1.726 ( 0.000 -1.861 -18.097) 18.192 2.241 ( 0.000 -0.250 2.143) 2.158 2.386 ( 0.000 -0.427 -3.832) 3.856 2.448 ( -0.000 22.458 22.431) 31.741 2.548 ( -0.000 0.849 3.100) 3.214 2.628 ( -0.000 6.421 15.966) 17.209 2.645 ( -0.000 1.637 -1.117) 1.982 3.252 ( 0.000 -16.510 -1.320) 16.563 3.339 ( 0.000 -21.971 -11.004) 24.572 3.597 ( 0.000 -13.902 1.724) 14.008 4.054 ( -0.000 16.217 -23.316) 28.402 4.975 ( -0.000 10.210 13.786) 17.156 5.210 ( -0.000 3.361 0.499) 3.398 5.562 ( 0.000 -9.825 3.668) 10.488 5.781 ( 0.000 -15.072 -4.373) 15.694 6.516 ( -0.000 13.674 2.270) 13.861 6.663 ( -0.000 13.700 -3.011) 14.027 7.589 ( 0.000 -0.754 2.745) 2.846 7.722 ( 0.000 -0.631 -2.017) 2.113 8.070 ( 0.000 -3.007 -1.705) 3.456 8.171 ( 0.000 -5.754 -1.941) 6.073 9.290 ( -0.000 10.839 2.936) 11.230 9.528 ( 0.000 -6.592 10.881) 12.722 9.691 ( 0.000 -2.693 -11.468) 11.780 10.004 ( 0.000 -14.220 -6.261) 15.537 11.041 ( 0.000 -9.272 0.682) 9.297 11.080 ( 0.000 -9.243 -0.700) 9.270 11.567 ( -0.000 3.595 12.856) 13.349 12.418 ( -0.000 7.931 -19.906) 21.428 12.736 ( -0.000 1.901 0.421) 1.947 12.759 ( -0.000 1.950 -0.405) 1.992 12.875 ( -0.000 3.003 2.937) 4.200 12.974 ( -0.000 5.708 -3.891) 6.908 14.296 ( -0.000 1.426 5.409) 5.594 14.526 ( -0.000 2.191 -2.988) 3.705 15.485 ( 0.000 -0.934 7.545) 7.602 16.122 ( 0.000 -0.135 -21.146) 21.147 17.563 ( 0.000 -3.915 17.848) 18.273 17.839 ( 0.000 -6.482 3.444) 7.341======================= Grid point 351 (131/219) =======================q-point: (-0.69 0.31 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 272Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.291 ( -2.790 -0.000 3.942) 4.830 2.526 ( 1.356 0.000 -3.625) 3.870 2.651 ( -2.560 -0.000 -0.363) 2.586 2.669 ( -3.105 -0.000 -0.143) 3.108 3.073 ( -7.922 -0.000 -0.165) 7.924 3.094 ( -6.389 -0.000 -0.584) 6.416 3.328 ( -2.451 -0.000 3.471) 4.249 3.411 ( -7.322 -0.000 5.925) 9.419 3.579 ( -3.717 -0.000 -5.284) 6.460 3.866 ( 0.797 0.000 -13.159) 13.183 4.387 ( -6.139 -0.000 4.781) 7.782 4.517 ( 7.092 0.000 6.554) 9.657 4.539 ( 0.285 0.000 -3.456) 3.467 4.766 ( 0.687 0.000 -5.674) 5.715 5.260 ( -6.410 -0.000 13.386) 14.841 5.666 ( -14.469 -0.000 -0.787) 14.490 5.741 ( -10.778 -0.000 -4.686) 11.752 5.753 ( -12.532 -0.000 -1.881) 12.672 7.691 ( 5.555 0.000 2.357) 6.035 7.825 ( 3.638 0.000 -2.489) 4.408 8.359 ( -7.473 -0.000 4.675) 8.815 8.624 ( -6.943 -0.000 -5.231) 8.693 9.130 ( -15.398 -0.000 3.424) 15.774 9.411 ( -6.667 -0.000 -9.370) 11.500 9.640 ( -8.577 -0.000 1.874) 8.779 9.891 ( -14.500 -0.000 -4.910) 15.309 10.313 ( -7.452 -0.000 5.666) 9.362 10.410 ( -11.055 -0.000 0.554) 11.068 10.544 ( -15.547 -0.000 10.357) 18.681 10.944 ( 5.491 0.000 11.776) 12.993 11.091 ( -8.977 -0.000 -12.602) 15.473 11.631 ( 12.384 0.000 -8.039) 14.764 11.704 ( 8.874 0.000 11.060) 14.180 11.876 ( 16.146 0.000 8.768) 18.373 12.081 ( 16.195 0.000 -5.102) 16.979 12.707 ( 19.350 0.000 -17.077) 25.808 13.273 ( 5.979 0.000 4.542) 7.509 13.322 ( 0.740 0.000 2.159) 2.282 15.507 ( -0.009 -0.000 0.342) 0.342 15.733 ( -4.717 -0.000 -9.872) 10.941 16.756 ( 6.129 0.000 10.587) 12.233 17.063 ( 3.558 0.000 -2.349) 4.264======================= Grid point 353 (132/219) =======================q-point: (-0.62 0.31 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 512Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.235 ( -3.765 -1.746 4.722) 6.287 2.498 ( -3.553 4.523 -4.725) 7.444 2.593 ( -4.059 1.784 0.804) 4.506 2.617 ( -2.150 -2.588 -0.198) 3.371 2.929 ( -6.999 -0.962 -0.781) 7.108 2.971 ( -6.546 -1.687 -3.508) 7.616 3.232 ( -6.201 4.358 4.296) 8.712 3.341 ( -4.249 -6.358 8.022) 11.083 3.436 ( -11.809 0.071 -3.475) 12.310 3.833 ( -5.303 0.109 -10.905) 12.126 4.275 ( -5.457 -1.068 -0.545) 5.587 4.490 ( -5.312 -1.104 -8.741) 10.288 4.643 ( 5.264 1.692 8.569) 10.198 4.768 ( -1.999 0.477 0.578) 2.134 5.124 ( -6.779 0.686 11.344) 13.233 5.327 ( -20.602 0.390 1.160) 20.638 5.457 ( -14.159 4.433 -3.561) 15.258 5.528 ( -13.667 -2.424 -4.601) 14.623 7.750 ( 0.837 1.224 2.151) 2.612 7.883 ( 2.275 0.415 -2.856) 3.675 8.228 ( -7.964 -3.040 5.333) 10.055 8.516 ( -6.137 -2.976 -4.884) 8.389 8.902 ( -8.561 -0.869 3.352) 9.235 9.283 ( -7.038 -0.163 -12.224) 14.106 9.468 ( -8.684 0.272 0.764) 8.722 9.627 ( -13.390 -0.992 -2.573) 13.671 10.130 ( -13.020 1.253 1.603) 13.178 10.176 ( -15.160 -2.508 -0.450) 15.373 10.310 ( -8.557 -0.938 12.964) 15.562 10.873 ( -9.245 -0.262 -4.613) 10.335 11.126 ( 12.242 -0.088 10.770) 16.305 11.776 ( 4.968 -0.140 0.654) 5.013 11.943 ( 14.607 0.959 9.644) 17.529 12.162 ( 13.474 0.447 3.704) 13.981 12.477 ( 22.885 -0.002 -13.823) 26.736 12.965 ( 7.373 -0.467 -17.717) 19.196 13.375 ( 5.906 0.260 8.309) 10.198 13.518 ( 20.386 0.133 1.674) 20.455 15.508 ( 0.273 0.057 -1.169) 1.202 15.636 ( -5.894 -2.089 -7.452) 9.728 16.884 ( 7.487 0.556 9.198) 11.873 17.143 ( 4.729 -0.593 -1.508) 4.999======================= Grid point 354 (133/219) =======================q-point: (-0.56 0.31 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 512Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.160 ( -6.031 -2.055 3.315) 7.182 2.363 ( -7.405 4.969 -4.170) 9.844 2.478 ( -5.966 3.619 2.239) 7.328 2.584 ( -2.817 0.807 -1.636) 3.356 2.840 ( -4.383 -5.709 -0.798) 7.241 2.879 ( -4.782 -1.080 -3.804) 6.205 3.058 ( -12.125 -2.396 1.318) 12.429 3.141 ( -18.761 -1.178 -1.434) 18.853 3.260 ( -7.389 -2.481 8.778) 11.740 3.666 ( -12.284 -0.525 -5.446) 13.448 4.145 ( -10.573 1.649 -5.019) 11.819 4.305 ( -16.834 -0.248 -7.316) 18.357 4.581 ( -11.627 8.033 7.295) 15.903 4.725 ( -1.835 -3.384 5.642) 6.831 4.949 ( -16.380 3.055 -0.367) 16.666 5.019 ( -4.211 -3.070 3.732) 6.410 5.254 ( -4.470 2.591 -1.858) 5.491 5.335 ( -5.388 -1.504 -2.476) 6.117 7.716 ( -2.949 1.825 2.329) 4.178 7.881 ( -3.305 0.189 -3.963) 5.164 8.080 ( -9.727 -3.940 6.025) 12.101 8.392 ( -10.349 -4.993 -5.096) 12.570 8.786 ( -6.758 0.742 3.339) 7.575 9.113 ( -12.406 2.565 -8.650) 15.340 9.376 ( -0.815 -5.003 -1.581) 5.309 9.437 ( -5.933 -3.218 -2.472) 7.188 9.823 ( -17.155 0.581 1.401) 17.222 9.913 ( -14.613 -5.517 -2.282) 15.786 10.206 ( -3.673 -1.426 14.042) 14.584 10.763 ( -2.602 -0.121 -6.009) 6.549 11.425 ( 19.002 0.594 11.952) 22.456 11.838 ( 1.417 -0.690 7.242) 7.411 12.193 ( 11.716 0.711 8.666) 14.590 12.381 ( 11.067 2.873 -2.006) 11.608 12.825 ( 12.813 0.653 -16.164) 20.637 13.045 ( 2.278 -0.693 -14.040) 14.241 13.586 ( 17.654 1.340 12.589) 21.724 13.949 ( 23.478 1.803 -4.544) 23.982 15.510 ( -0.681 -0.783 -2.622) 2.820 15.569 ( -2.442 -5.594 -5.715) 8.361 17.027 ( 8.223 1.202 8.738) 12.059 17.250 ( 6.231 -1.537 -0.612) 6.447======================= Grid point 355 (134/219) =======================q-point: (-0.50 0.31 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 512Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.008 ( -10.069 2.543 0.043) 10.385 2.172 ( -9.444 6.231 -4.975) 12.360 2.332 ( -8.870 3.386 4.391) 10.460 2.494 ( -6.473 4.251 -2.237) 8.061 2.690 ( -20.476 -3.003 1.093) 20.724 2.783 ( -9.461 -2.018 -0.622) 9.694 2.813 ( -5.298 -9.421 -1.822) 10.961 2.900 ( -10.090 -6.598 -1.484) 12.147 3.131 ( -6.783 -3.808 5.027) 9.262 3.375 ( -18.995 -0.707 -2.277) 19.144 3.814 ( -22.728 1.571 -4.305) 23.185 3.873 ( -26.815 1.653 -2.911) 27.023 4.188 ( -19.745 16.215 8.986) 27.084 4.688 ( -6.807 12.014 -10.565) 17.386 4.744 ( -0.856 -13.003 8.385) 15.496 5.062 ( 3.921 -8.649 -2.880) 9.923 5.203 ( 0.899 5.164 4.863) 7.150 5.355 ( 3.383 -3.971 -1.738) 5.499 7.633 ( -5.254 1.422 1.034) 5.540 7.716 ( -14.480 -2.096 -0.961) 14.663 7.942 ( -6.510 -0.457 2.961) 7.167 8.171 ( -15.998 -5.585 -3.753) 17.356 8.565 ( -15.223 1.565 1.292) 15.358 8.750 ( -23.695 2.240 -4.504) 24.223 9.420 ( -4.179 -0.095 -0.862) 4.268 9.475 ( 4.695 -1.191 -2.009) 5.244 9.608 ( 0.028 -8.492 -0.963) 8.546 9.716 ( -10.427 -10.852 -3.651) 15.486 10.201 ( 3.053 -1.918 16.372) 16.764 10.764 ( 2.022 -0.736 -5.957) 6.334 11.767 ( 11.147 4.666 8.217) 14.613 11.872 ( 9.122 -1.022 11.466) 14.688 12.355 ( 6.939 2.850 1.211) 7.599 12.558 ( 8.818 0.671 -4.396) 9.876 12.962 ( 3.635 2.266 -7.012) 8.217 13.084 ( 2.135 -0.029 -9.533) 9.769 13.972 ( 22.462 2.782 7.133) 23.731 14.298 ( 13.586 3.072 -5.249) 14.885 15.533 ( 1.973 -3.481 -3.283) 5.176 15.599 ( 2.371 -6.468 -7.479) 10.168 17.177 ( 8.575 1.422 9.804) 13.103 17.394 ( 7.613 -2.666 0.247) 8.070======================= Grid point 356 (135/219) =======================q-point: (-0.44 0.31 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 512Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.776 ( -11.330 6.420 -2.336) 13.230 1.940 ( -12.454 4.421 -5.098) 14.165 2.044 ( -17.567 8.542 1.641) 19.602 2.156 ( -21.439 4.532 -2.153) 22.019 2.490 ( -4.058 -0.950 4.312) 5.997 2.614 ( -12.558 3.408 2.527) 13.256 2.740 ( -5.078 -18.666 -2.936) 19.566 2.820 ( -7.185 -5.037 -3.540) 9.462 2.983 ( -16.695 -3.841 0.907) 17.155 3.062 ( -9.723 -5.061 -0.375) 10.967 3.335 ( -26.984 -0.485 -1.670) 27.040 3.399 ( -20.111 -6.079 -2.995) 21.222 3.741 ( -13.540 25.372 13.599) 31.812 4.514 ( -2.850 16.945 -16.658) 23.932 4.854 ( 2.366 -16.168 8.198) 18.281 5.205 ( 2.199 -6.128 5.111) 8.278 5.212 ( 5.384 1.403 -0.368) 5.576 5.453 ( 3.891 -4.653 -2.778) 6.671 7.359 ( -21.018 1.154 1.833) 21.130 7.491 ( -14.107 2.877 -4.632) 15.124 7.762 ( -11.481 1.320 5.961) 13.004 7.962 ( -7.675 -7.258 -3.195) 11.035 8.260 ( -19.858 -0.152 -1.459) 19.912 8.287 ( -17.954 -1.340 -2.283) 18.148 9.260 ( -10.070 -6.760 2.733) 12.433 9.523 ( -3.375 -6.523 -8.137) 10.961 9.653 ( 3.494 0.166 2.346) 4.212 9.806 ( 7.690 -3.102 -2.342) 8.617 10.389 ( 15.006 -5.911 14.103) 21.425 10.828 ( 2.767 -3.817 -3.504) 5.874 11.757 ( -0.597 8.086 13.127) 15.429 12.221 ( 20.030 0.963 1.346) 20.098 12.449 ( 5.817 4.070 -7.017) 9.983 12.679 ( 3.299 -1.387 -5.932) 6.928 12.975 ( 0.756 3.684 1.738) 4.143 13.122 ( 1.342 0.820 -3.064) 3.444 14.328 ( 16.136 3.431 1.291) 16.548 14.411 ( 1.077 2.240 -1.100) 2.718 15.547 ( -3.212 -5.997 -1.535) 6.974 15.781 ( 12.240 -3.074 -14.249) 19.034 17.331 ( 8.322 0.781 12.126) 14.728 17.556 ( 7.383 -3.544 1.292) 8.291======================= Grid point 357 (136/219) =======================q-point: (-0.38 0.31 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 512Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.501 ( -14.564 6.744 0.535) 16.058 1.644 ( -18.617 2.556 -1.799) 18.877 1.658 ( -9.965 9.722 -5.323) 14.905 1.858 ( -5.218 13.158 -8.080) 16.299 2.355 ( -10.981 1.819 2.711) 11.456 2.445 ( -2.847 -1.351 4.857) 5.789 2.565 ( -13.580 -0.982 -1.770) 13.730 2.707 ( -12.700 -0.067 3.035) 13.057 2.778 ( -7.967 -6.112 -1.243) 10.118 2.937 ( -10.256 -14.972 -4.942) 18.809 3.011 ( -4.492 -13.525 3.461) 14.665 3.170 ( -7.766 8.277 -1.675) 11.473 3.475 ( -2.634 9.539 12.832) 16.204 4.377 ( -0.973 18.960 -20.717) 28.100 4.983 ( 1.906 -12.028 9.402) 15.385 5.222 ( 2.129 4.822 8.636) 10.117 5.353 ( 3.350 -10.923 -2.145) 11.625 5.546 ( 2.463 -6.964 -4.279) 8.537 6.938 ( -18.956 7.767 2.051) 20.588 7.092 ( -19.639 8.980 -3.841) 21.934 7.620 ( -4.450 -0.397 4.474) 6.323 7.834 ( -11.369 -0.914 -4.003) 12.088 7.990 ( -5.312 -8.556 0.640) 10.091 8.110 ( -6.121 -5.287 -3.001) 8.628 9.165 ( -5.815 -13.084 3.799) 14.814 9.501 ( -4.196 -15.117 -10.740) 19.012 9.717 ( 5.833 14.335 5.767) 16.516 9.912 ( 3.671 0.962 1.362) 4.032 10.755 ( 16.497 -7.598 4.755) 18.775 10.891 ( 0.571 -6.987 -0.519) 7.030 11.698 ( -0.005 10.426 13.529) 17.080 12.476 ( 4.796 2.223 -13.622) 14.612 12.604 ( 15.022 3.300 -1.644) 15.467 12.718 ( 2.118 0.806 -4.739) 5.253 12.955 ( -2.066 1.373 6.224) 6.700 13.104 ( -2.356 2.624 -1.820) 3.968 14.365 ( -3.290 1.675 2.824) 4.648 14.516 ( 5.794 2.536 -2.431) 6.776 15.505 ( -3.340 -2.894 2.622) 5.138 16.011 ( 9.095 -2.092 -20.207) 22.258 17.467 ( 5.855 -0.447 14.495) 15.639 17.696 ( 4.747 -4.426 2.558) 6.976======================= Grid point 358 (137/219) =======================q-point: (-0.31 0.31 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 272Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.272 ( -0.000 10.493 3.033) 10.922 1.435 ( -0.000 1.867 -2.752) 3.326 1.495 ( -0.000 17.484 -8.284) 19.347 1.752 ( -0.000 8.014 -11.532) 14.043 2.239 ( 0.000 -0.147 1.980) 1.986 2.382 ( 0.000 -0.158 -3.925) 3.928 2.478 ( 0.000 -3.277 11.950) 12.391 2.558 ( -0.000 0.872 3.246) 3.361 2.662 ( -0.000 1.311 -1.219) 1.790 2.905 ( -0.000 19.969 13.772) 24.258 3.034 ( 0.000 -17.764 -5.947) 18.733 3.110 ( 0.000 -14.414 -2.418) 14.616 3.466 ( 0.000 -7.580 5.190) 9.187 4.259 ( -0.000 19.061 -22.794) 29.713 5.041 ( 0.000 -1.584 11.638) 11.746 5.227 ( -0.000 1.590 5.751) 5.967 5.447 ( 0.000 -10.412 0.104) 10.413 5.623 ( 0.000 -11.253 -5.019) 12.322 6.671 ( -0.000 13.070 2.210) 13.255 6.817 ( -0.000 12.887 -3.075) 13.249 7.581 ( 0.000 -0.749 2.850) 2.947 7.715 ( 0.000 -0.615 -1.999) 2.092 8.005 ( 0.000 -8.371 -1.283) 8.469 8.093 ( 0.000 -6.988 -2.360) 7.376 9.195 ( 0.000 -15.832 4.352) 16.419 9.550 ( 0.000 -15.259 -10.029) 18.260 9.680 ( -0.000 17.915 6.249) 18.974 9.942 ( -0.000 0.437 0.733) 0.853 10.938 ( 0.000 -8.560 0.689) 8.588 10.978 ( 0.000 -8.552 -0.701) 8.581 11.639 ( -0.000 9.181 13.500) 16.326 12.492 ( -0.000 4.840 -17.353) 18.015 12.755 ( -0.000 1.427 0.430) 1.490 12.779 ( -0.000 1.483 -0.417) 1.541 12.896 ( -0.000 0.955 3.890) 4.006 13.035 ( -0.000 4.822 -4.375) 6.510 14.315 ( -0.000 1.834 4.836) 5.172 14.550 ( -0.000 1.862 -3.269) 3.762 15.477 ( 0.000 -0.479 5.726) 5.746 16.111 ( 0.000 -1.662 -22.214) 22.276 17.533 ( 0.000 -1.578 15.855) 15.933 17.771 ( 0.000 -5.340 3.280) 6.266======================= Grid point 369 (138/219) =======================q-point: (-0.62 0.38 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 272Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.147 ( -5.180 -0.000 4.419) 6.808 2.389 ( -8.746 -0.000 -4.219) 9.710 2.515 ( -5.008 -0.000 0.837) 5.077 2.582 ( -1.590 -0.000 -1.549) 2.220 2.805 ( -5.459 -0.000 -0.936) 5.539 2.866 ( -4.452 -0.000 -4.964) 6.668 3.049 ( -14.380 -0.000 1.465) 14.455 3.133 ( -19.696 -0.000 -1.300) 19.739 3.249 ( -5.024 -0.000 10.333) 11.490 3.662 ( -12.543 -0.000 -4.432) 13.303 4.156 ( -9.813 -0.000 -6.304) 11.663 4.302 ( -15.714 -0.000 -7.882) 17.580 4.645 ( -10.260 -0.000 3.957) 10.997 4.687 ( -4.259 -0.000 10.210) 11.063 4.974 ( -13.200 -0.000 -2.182) 13.380 4.994 ( -7.776 -0.000 5.204) 9.357 5.270 ( -3.026 -0.000 -2.523) 3.940 5.325 ( -7.160 -0.000 -2.105) 7.463 7.727 ( -3.177 -0.000 2.253) 3.895 7.881 ( -4.093 -0.000 -3.593) 5.446 8.058 ( -8.385 -0.000 5.714) 10.147 8.363 ( -9.908 -0.000 -5.038) 11.116 8.790 ( -6.019 -0.000 3.489) 6.957 9.130 ( -11.989 -0.000 -8.660) 14.789 9.345 ( -1.623 -0.000 -1.420) 2.156 9.418 ( -6.060 -0.000 -2.523) 6.564 9.837 ( -18.002 -0.000 -0.151) 18.003 9.871 ( -15.369 -0.000 -1.478) 15.440 10.198 ( -3.361 -0.000 14.481) 14.866 10.762 ( -2.454 -0.000 -6.309) 6.769 11.428 ( 19.309 0.000 12.543) 23.025 11.834 ( 1.574 0.000 7.804) 7.961 12.197 ( 11.818 0.000 8.673) 14.659 12.397 ( 10.963 0.000 -2.893) 11.338 12.829 ( 13.054 0.000 -16.275) 20.863 13.041 ( 2.417 0.000 -13.912) 14.120 13.594 ( 17.934 0.000 12.796) 22.031 13.959 ( 23.843 0.000 -4.554) 24.274 15.510 ( -0.065 -0.000 -2.898) 2.899 15.531 ( -3.655 -0.000 -5.458) 6.569 17.034 ( 8.245 0.000 8.384) 11.758 17.241 ( 6.084 0.000 -0.354) 6.094======================= Grid point 371 (139/219) =======================q-point: (-0.56 0.38 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 512Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.026 ( -8.010 0.893 2.113) 8.332 2.204 ( -10.379 0.346 -4.612) 11.363 2.397 ( -6.081 5.800 1.314) 8.506 2.529 ( -5.273 0.976 -3.343) 6.320 2.665 ( -21.055 -1.138 0.985) 21.109 2.720 ( -10.402 -4.302 -1.440) 11.348 2.754 ( -10.213 -2.776 0.576) 10.599 2.853 ( -6.409 -2.202 -3.019) 7.419 3.110 ( -9.244 -0.381 6.714) 11.431 3.368 ( -18.958 -0.430 -1.586) 19.029 3.827 ( -24.477 0.634 -5.092) 25.009 3.886 ( -27.075 0.539 -3.436) 27.298 4.375 ( -12.949 15.646 8.106) 21.867 4.580 ( -6.350 -14.770 9.211) 18.529 4.823 ( -3.179 11.431 -7.987) 14.303 4.950 ( 0.389 -10.539 -4.734) 11.560 5.258 ( 1.467 4.046 3.094) 5.301 5.315 ( 3.665 -3.203 -0.050) 4.868 7.648 ( -5.043 0.931 0.884) 5.204 7.696 ( -14.526 -1.156 0.436) 14.579 7.940 ( -5.155 -0.030 1.332) 5.324 8.127 ( -15.913 -1.959 -3.238) 16.357 8.578 ( -16.040 0.549 1.517) 16.121 8.770 ( -24.519 1.023 -4.329) 24.920 9.434 ( 0.847 1.697 -1.575) 2.465 9.469 ( 9.488 0.658 -2.406) 9.810 9.527 ( -5.828 -5.268 -0.124) 7.857 9.621 ( -12.434 -4.871 -4.321) 14.036 10.188 ( 2.492 -0.559 16.921) 17.113 10.759 ( 1.381 -0.172 -6.032) 6.191 11.813 ( 17.224 3.000 8.150) 19.289 11.856 ( 5.131 -1.654 11.590) 12.783 12.376 ( 7.380 0.832 4.956) 8.928 12.565 ( 7.111 0.375 -8.448) 11.048 12.980 ( 4.432 0.825 -6.164) 7.637 13.083 ( 2.352 -0.053 -9.998) 10.271 13.995 ( 22.693 1.052 7.455) 23.909 14.323 ( 13.311 1.159 -4.952) 14.250 15.504 ( -0.618 -1.406 -3.378) 3.711 15.548 ( 5.353 -2.311 -7.747) 9.696 17.189 ( 8.395 0.598 9.081) 12.381 17.372 ( 7.473 -1.003 0.725) 7.574======================= Grid point 372 (140/219) =======================q-point: (-0.50 0.38 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 512Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.826 ( -11.890 3.025 0.173) 12.270 1.978 ( -14.144 2.234 -5.007) 15.169 2.139 ( -20.582 6.639 0.537) 21.633 2.225 ( -12.119 7.088 -2.446) 14.251 2.483 ( -4.465 -1.224 0.104) 4.631 2.550 ( -6.273 -12.277 -0.765) 13.808 2.649 ( -12.076 2.048 1.965) 12.405 2.742 ( -5.280 -7.224 0.258) 8.951 2.958 ( -15.163 -0.563 -1.509) 15.248 3.010 ( -10.949 -4.345 -1.007) 11.822 3.324 ( -26.852 -1.669 -2.724) 27.042 3.356 ( -26.752 -1.214 -1.673) 26.832 4.041 ( -8.994 26.565 11.907) 30.469 4.630 ( -0.673 -21.968 9.663) 24.009 4.706 ( -0.956 16.160 -13.861) 21.312 5.058 ( 2.473 -14.109 -5.487) 15.339 5.285 ( 3.588 5.556 5.533) 8.622 5.412 ( 4.238 -2.968 -0.611) 5.210 7.374 ( -18.480 1.152 2.244) 18.651 7.517 ( -11.483 1.521 -4.232) 12.332 7.781 ( -13.148 1.910 4.335) 13.975 7.886 ( -6.920 -5.557 -1.181) 8.953 8.258 ( -17.135 -0.304 -2.178) 17.275 8.279 ( -23.934 -0.131 -2.297) 24.045 9.206 ( -12.945 -2.730 1.684) 13.336 9.437 ( -8.870 -6.305 -8.483) 13.798 9.667 ( 11.742 1.076 2.491) 12.052 9.779 ( 12.065 -1.744 -2.011) 12.355 10.337 ( 13.550 -3.093 15.093) 20.517 10.795 ( 1.424 -1.874 -3.542) 4.253 11.842 ( 1.754 6.216 12.893) 14.420 12.223 ( 19.387 -0.439 0.255) 19.394 12.482 ( 5.721 1.773 -1.294) 6.127 12.664 ( 3.402 -0.959 -8.380) 9.095 13.011 ( 0.225 2.340 1.940) 3.048 13.127 ( 1.769 0.143 -4.467) 4.806 14.360 ( 15.743 1.948 1.388) 15.924 14.431 ( 0.338 1.326 -0.622) 1.503 15.492 ( -2.009 -3.482 -1.462) 4.278 15.753 ( 13.230 -1.794 -15.090) 20.149 17.339 ( 7.840 0.622 11.192) 13.679 17.524 ( 7.351 -1.991 1.703) 7.804======================= Grid point 373 (141/219) =======================q-point: (-0.44 0.38 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 512Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.557 ( -13.769 3.468 0.681) 14.215 1.646 ( -17.663 0.354 -2.134) 17.794 1.790 ( -8.726 11.657 -2.086) 14.710 2.025 ( -3.492 14.074 -8.280) 16.698 2.365 ( -12.130 0.001 1.918) 12.281 2.445 ( -2.443 0.867 2.355) 3.502 2.541 ( -10.452 -7.748 -4.132) 13.651 2.600 ( -4.969 -10.615 -0.326) 11.725 2.727 ( -11.096 -1.957 2.377) 11.515 2.848 ( -9.963 -5.010 -0.568) 11.166 2.895 ( -15.381 -4.045 0.979) 15.934 3.114 ( -4.475 -11.446 -6.374) 13.844 3.751 ( -4.061 31.145 15.943) 35.223 4.594 ( -0.249 18.760 -16.697) 25.116 4.771 ( 0.956 -23.318 8.822) 24.950 5.180 ( 1.549 -13.837 -1.072) 13.964 5.315 ( 2.868 5.334 3.798) 7.149 5.495 ( 2.550 -3.005 -1.997) 4.417 7.019 ( -15.525 5.974 2.224) 16.783 7.181 ( -17.258 6.388 -4.117) 18.858 7.616 ( -4.835 -0.327 4.567) 6.658 7.812 ( -7.433 -3.047 -3.387) 8.718 7.908 ( -10.349 -4.734 1.499) 11.479 8.055 ( -7.518 -4.122 -3.911) 9.424 9.043 ( -7.284 -7.955 2.743) 11.130 9.353 ( -4.929 -10.257 -10.764) 15.664 9.845 ( 8.341 8.062 4.646) 12.496 9.925 ( 4.654 0.894 4.508) 6.540 10.680 ( 16.572 -5.338 4.591) 18.006 10.824 ( -0.266 -4.613 -0.606) 4.660 11.828 ( 1.677 11.441 12.635) 17.128 12.477 ( 5.419 -1.675 -9.351) 10.937 12.638 ( 12.915 2.519 -1.507) 13.245 12.720 ( 3.007 -0.230 -4.049) 5.049 12.970 ( -3.505 1.163 5.189) 6.368 13.128 ( -1.388 1.549 -2.685) 3.397 14.382 ( -3.358 1.243 2.860) 4.583 14.540 ( 4.882 1.581 -2.653) 5.777 15.478 ( -0.963 -1.834 2.066) 2.926 15.988 ( 9.259 -1.778 -21.061) 23.075 17.465 ( 5.366 -0.008 13.439) 14.470 17.654 ( 4.675 -2.839 2.679) 6.090======================= Grid point 374 (142/219) =======================q-point: (-0.38 0.38 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 272Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.371 ( -0.000 6.906 1.494) 7.065 1.453 ( -0.000 1.198 -1.388) 1.833 1.649 ( -0.000 11.502 -5.368) 12.693 1.908 ( -0.000 16.840 -10.066) 19.619 2.237 ( 0.000 -0.093 1.965) 1.967 2.382 ( -0.000 0.070 -3.932) 3.933 2.453 ( 0.000 -1.241 5.180) 5.327 2.568 ( -0.000 0.693 3.278) 3.350 2.674 ( -0.000 0.905 -1.285) 1.572 2.730 ( 0.000 -23.233 -2.881) 23.411 2.896 ( 0.000 -14.306 3.196) 14.658 3.129 ( 0.000 -3.809 -6.471) 7.509 3.547 ( -0.000 25.131 17.293) 30.506 4.481 ( -0.000 19.567 -19.489) 27.617 4.908 ( 0.000 -19.711 9.090) 21.707 5.251 ( 0.000 -3.761 8.376) 9.182 5.336 ( 0.000 -4.047 -3.191) 5.154 5.539 ( 0.000 -4.211 -3.459) 5.450 6.806 ( -0.000 10.359 2.112) 10.572 6.950 ( -0.000 10.032 -3.116) 10.505 7.573 ( 0.000 -0.637 2.972) 3.039 7.708 ( 0.000 -0.493 -1.983) 2.044 7.896 ( 0.000 -9.641 0.349) 9.647 8.019 ( 0.000 -6.012 -3.480) 6.947 9.032 ( 0.000 -11.862 3.410) 12.343 9.374 ( 0.000 -13.494 -11.420) 17.678 9.863 ( -0.000 12.322 6.306) 13.842 9.963 ( -0.000 2.550 4.972) 5.587 10.850 ( 0.000 -6.608 0.692) 6.645 10.890 ( 0.000 -6.614 -0.697) 6.650 11.770 ( -0.000 13.111 12.910) 18.400 12.523 ( -0.000 0.368 -13.175) 13.180 12.768 ( -0.000 0.905 0.439) 1.006 12.793 ( -0.000 0.955 -0.430) 1.047 12.901 ( -0.000 0.055 3.967) 3.968 13.082 ( -0.000 3.312 -4.556) 5.632 14.335 ( -0.000 1.564 4.399) 4.669 14.567 ( -0.000 1.250 -3.561) 3.774 15.474 ( 0.000 -0.131 4.209) 4.211 16.089 ( 0.000 -1.999 -23.021) 23.107 17.521 ( 0.000 -0.598 14.556) 14.568 17.719 ( 0.000 -3.741 3.215) 4.933======================= Grid point 387 (143/219) =======================q-point: (-0.56 0.44 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 272Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.845 ( -12.431 -0.000 0.942) 12.466 1.991 ( -13.830 -0.000 -5.898) 15.035 2.182 ( -20.990 -0.000 1.334) 21.033 2.274 ( -9.896 -0.000 -3.769) 10.589 2.456 ( -8.245 -0.000 1.194) 8.331 2.489 ( -4.103 -0.000 -1.037) 4.232 2.673 ( -2.868 -0.000 0.419) 2.898 2.685 ( -13.452 -0.000 2.104) 13.615 2.961 ( -4.104 -0.000 -2.738) 4.934 2.976 ( -21.215 -0.000 -0.578) 21.223 3.312 ( -27.956 -0.000 -2.571) 28.074 3.352 ( -28.155 -0.000 -1.608) 28.201 4.299 ( -4.707 -0.000 9.402) 10.514 4.397 ( -4.267 -0.000 11.450) 12.219 4.888 ( 0.975 0.000 -13.116) 13.152 4.888 ( 0.659 0.000 -6.038) 6.074 5.323 ( 3.462 0.000 5.083) 6.150 5.389 ( 4.537 0.000 0.330) 4.549 7.381 ( -17.592 -0.000 2.355) 17.749 7.525 ( -10.511 -0.000 -3.976) 11.238 7.798 ( -15.908 -0.000 3.515) 16.291 7.848 ( -4.676 -0.000 -0.449) 4.698 8.256 ( -16.326 -0.000 -2.402) 16.502 8.279 ( -25.900 -0.000 -2.155) 25.989 9.192 ( -14.214 -0.000 1.100) 14.257 9.399 ( -9.353 -0.000 -7.985) 12.297 9.673 ( 13.586 0.000 2.117) 13.750 9.768 ( 13.661 0.000 -1.971) 13.803 10.320 ( 12.909 0.000 15.496) 20.168 10.784 ( 0.928 0.000 -3.541) 3.661 11.881 ( 2.911 0.000 12.807) 13.134 12.218 ( 18.916 0.000 -0.321) 18.919 12.492 ( 5.686 0.000 1.697) 5.934 12.659 ( 3.377 0.000 -10.128) 10.676 13.025 ( 0.048 0.000 2.334) 2.335 13.127 ( 1.940 0.000 -5.216) 5.565 14.371 ( 15.568 0.000 1.437) 15.634 14.439 ( 0.057 0.000 -0.452) 0.455 15.471 ( -1.500 -0.000 -1.448) 2.085 15.742 ( 13.560 0.000 -15.409) 20.525 17.343 ( 7.650 0.000 10.885) 13.305 17.512 ( 7.370 0.000 1.846) 7.598======================= Grid point 389 (144/219) =======================q-point: (-0.50 0.44 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 512Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.583 ( -13.041 1.162 0.580) 13.106 1.650 ( -17.737 0.221 -1.696) 17.820 1.923 ( -6.472 9.920 -2.072) 12.025 2.125 ( -4.056 1.247 -9.371) 10.287 2.358 ( -9.955 -0.336 1.274) 10.041 2.399 ( -3.209 -5.830 2.589) 7.141 2.475 ( -4.055 0.624 0.286) 4.112 2.554 ( -12.003 -2.873 -2.460) 12.585 2.694 ( -7.503 -1.954 3.473) 8.496 2.843 ( -13.262 3.836 -1.382) 13.874 2.878 ( -18.164 -1.001 -1.414) 18.247 2.984 ( -4.526 -9.204 -4.962) 11.394 4.111 ( -2.233 30.661 12.876) 33.330 4.473 ( -0.622 -27.820 11.035) 29.935 4.804 ( 0.462 17.939 -12.822) 22.055 5.002 ( 1.115 -16.612 -7.892) 18.425 5.371 ( 2.473 3.367 5.228) 6.692 5.466 ( 2.752 -1.849 -0.274) 3.327 7.067 ( -13.846 2.224 2.248) 14.202 7.232 ( -16.054 2.303 -4.284) 16.775 7.613 ( -5.130 -0.118 4.592) 6.886 7.777 ( -4.033 -2.132 -1.483) 4.797 7.881 ( -14.442 -0.815 0.355) 14.469 8.021 ( -8.477 -1.623 -4.225) 9.609 8.984 ( -8.144 -2.554 2.045) 8.777 9.273 ( -5.006 -3.555 -10.718) 12.352 9.907 ( 9.685 2.989 4.138) 10.948 9.929 ( 5.096 -0.240 5.969) 7.852 10.637 ( 16.674 -1.923 4.592) 17.401 10.788 ( -0.796 -1.601 -0.640) 1.899 11.933 ( 3.337 5.592 11.493) 13.209 12.451 ( 4.940 -1.937 -6.275) 8.218 12.658 ( 12.110 0.961 -0.285) 12.152 12.717 ( 3.458 -0.222 -4.867) 5.974 12.980 ( -4.458 0.490 4.526) 6.372 13.139 ( -0.802 0.502 -3.236) 3.371 14.392 ( -3.420 0.459 2.889) 4.501 14.552 ( 4.342 0.526 -2.777) 5.181 15.464 ( 0.416 -0.621 1.726) 1.881 15.973 ( 9.313 -0.690 -21.512) 23.451 17.466 ( 5.079 0.040 12.984) 13.942 17.632 ( 4.701 -0.981 2.707) 5.513======================= Grid point 390 (145/219) =======================q-point: (-0.44 0.44 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 272Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.430 ( -0.000 3.398 0.582) 3.447 1.463 ( -0.000 0.572 -0.583) 0.817 1.791 ( -0.000 13.539 -3.137) 13.898 2.073 ( -0.000 8.853 -11.855) 14.796 2.236 ( 0.000 -0.051 2.021) 2.021 2.383 ( -0.000 0.115 -3.922) 3.924 2.419 ( 0.000 -6.108 2.412) 6.567 2.523 ( 0.000 -10.408 0.098) 10.408 2.574 ( -0.000 0.381 3.272) 3.294 2.682 ( -0.000 0.459 -1.320) 1.398 2.767 ( 0.000 -6.774 2.614) 7.261 3.019 ( 0.000 -11.192 -6.878) 13.137 3.904 ( -0.000 33.373 15.200) 36.672 4.631 ( 0.000 -27.257 10.825) 29.328 4.703 ( -0.000 18.652 -16.028) 24.593 5.108 ( 0.000 -16.046 -4.645) 16.705 5.372 ( -0.000 4.827 4.679) 6.723 5.505 ( 0.000 -2.330 -1.142) 2.595 6.900 ( -0.000 5.771 2.011) 6.111 7.040 ( -0.000 5.492 -3.138) 6.325 7.567 ( 0.000 -0.384 3.084) 3.107 7.704 ( 0.000 -0.277 -1.974) 1.994 7.804 ( 0.000 -5.964 1.388) 6.123 7.960 ( 0.000 -3.903 -4.101) 5.661 8.930 ( 0.000 -5.884 2.594) 6.430 9.256 ( 0.000 -7.025 -11.667) 13.618 9.947 ( -0.000 3.044 8.784) 9.296 10.003 ( -0.000 3.991 4.370) 5.918 10.791 ( 0.000 -3.614 0.694) 3.680 10.831 ( 0.000 -3.621 -0.693) 3.687 11.916 ( -0.000 11.139 11.278) 15.851 12.504 ( 0.000 -2.959 -8.352) 8.861 12.776 ( -0.000 0.428 0.446) 0.618 12.801 ( -0.000 0.458 -0.439) 0.634 12.901 ( -0.000 0.049 3.102) 3.102 13.111 ( -0.000 1.671 -4.681) 4.970 14.349 ( -0.000 0.883 4.168) 4.260 14.578 ( -0.000 0.592 -3.813) 3.859 15.473 ( -0.000 0.034 3.206) 3.207 16.069 ( 0.000 -1.310 -23.534) 23.571 17.517 ( 0.000 -0.210 13.925) 13.927 17.686 ( 0.000 -1.909 3.121) 3.658======================= Grid point 406 (146/219) =======================q-point: ( 0.50 -0.50 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 146Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.449 ( -0.000 0.000 0.279) 0.279 1.466 ( -0.000 0.000 -0.319) 0.319 1.906 ( -0.000 0.000 -4.115) 4.115 2.082 ( -0.000 0.000 -10.358) 10.358 2.236 ( -0.000 0.000 2.053) 2.053 2.384 ( -0.000 0.000 -3.918) 3.918 2.401 ( -0.000 0.000 2.839) 2.839 2.450 ( -0.000 0.000 0.726) 0.726 2.576 ( -0.000 0.000 3.267) 3.267 2.685 ( -0.000 0.000 -1.331) 1.331 2.743 ( -0.000 0.000 0.506) 0.506 2.939 ( -0.000 0.000 -5.983) 5.983 4.239 ( 0.000 -0.000 11.618) 11.618 4.330 ( -0.000 0.000 12.985) 12.985 4.911 ( 0.000 -0.000 -7.002) 7.002 4.915 ( -0.000 0.000 -14.042) 14.042 5.405 ( -0.000 0.000 5.185) 5.185 5.488 ( -0.000 0.000 -0.313) 0.313 6.934 ( -0.000 0.000 1.966) 1.966 7.072 ( -0.000 0.000 -3.144) 3.144 7.564 ( -0.000 0.000 3.132) 3.132 7.702 ( -0.000 0.000 -1.972) 1.972 7.769 ( -0.000 0.000 1.712) 1.712 7.937 ( -0.000 0.000 -4.272) 4.272 8.897 ( -0.000 0.000 2.303) 2.303 9.216 ( -0.000 0.000 -11.739) 11.739 9.961 ( -0.000 0.000 9.974) 9.974 10.028 ( -0.000 0.000 3.796) 3.796 10.770 ( -0.000 0.000 0.694) 0.694 10.810 ( -0.000 0.000 -0.691) 0.691 11.988 ( -0.000 0.000 10.234) 10.234 12.481 ( -0.000 0.000 -5.996) 5.996 12.778 ( -0.000 0.000 0.449) 0.449 12.804 ( -0.000 0.000 -0.442) 0.442 12.902 ( -0.000 0.000 2.563) 2.563 13.120 ( -0.000 0.000 -4.734) 4.734 14.354 ( -0.000 0.000 4.103) 4.103 14.581 ( -0.000 0.000 -3.918) 3.918 15.474 ( -0.000 0.000 2.856) 2.856 16.061 ( -0.000 0.000 -23.711) 23.711 17.516 ( -0.000 0.000 13.756) 13.756 17.675 ( -0.000 0.000 3.064) 3.064======================= Grid point 530 (147/219) =======================q-point: ( 0.00 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 146Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.980 ( 0.000 0.000 -18.345) 18.345 0.980 ( 0.000 0.000 18.345) 18.345 1.323 ( 0.000 0.000 -27.286) 27.286 1.323 ( 0.000 0.000 27.286) 27.286 2.150 ( 0.000 0.000 -44.901) 44.901 2.150 ( 0.000 0.000 44.901) 44.901 2.336 ( 0.000 0.000 -3.441) 3.441 2.336 ( 0.000 0.000 3.441) 3.441 2.562 ( 0.000 0.000 -0.668) 0.668 2.562 ( 0.000 0.000 0.668) 0.668 3.605 ( 0.000 0.000 -12.253) 12.253 3.605 ( 0.000 0.000 12.253) 12.253 4.194 ( 0.000 0.000 -1.934) 1.934 4.194 ( 0.000 0.000 1.934) 1.934 4.754 ( 0.000 0.000 -8.495) 8.495 4.754 ( 0.000 0.000 8.495) 8.495 6.017 ( 0.000 0.000 -9.622) 9.622 6.017 ( 0.000 0.000 9.622) 9.622 6.199 ( 0.000 0.000 -3.464) 3.464 6.199 ( 0.000 0.000 3.464) 3.464 7.678 ( 0.000 0.000 -3.185) 3.185 7.678 ( 0.000 0.000 3.185) 3.185 7.822 ( 0.000 0.000 -2.123) 2.123 7.822 ( 0.000 0.000 2.123) 2.123 8.705 ( 0.000 0.000 -17.500) 17.500 8.705 ( 0.000 0.000 17.500) 17.500 10.527 ( 0.000 0.000 -14.494) 14.494 10.527 ( 0.000 0.000 14.494) 14.494 11.336 ( 0.000 0.000 -0.937) 0.937 11.336 ( 0.000 0.000 0.937) 0.937 11.837 ( 0.000 0.000 -10.927) 10.927 11.837 ( 0.000 0.000 10.927) 10.927 12.674 ( 0.000 0.000 -0.561) 0.561 12.674 ( 0.000 0.000 0.561) 0.561 12.761 ( 0.000 0.000 -5.674) 5.674 12.761 ( 0.000 0.000 5.674) 5.674 14.400 ( 0.000 0.000 -2.412) 2.412 14.400 ( 0.000 0.000 2.412) 2.412 15.759 ( 0.000 0.000 -6.570) 6.570 15.759 ( 0.000 0.000 6.570) 6.570 18.130 ( 0.000 0.000 -4.937) 4.937 18.130 ( 0.000 0.000 4.937) 4.937======================= Grid point 532 (148/219) =======================q-point: ( 0.06 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.287 ( 23.130 0.625 -15.870) 28.058 1.287 ( 23.130 0.625 15.870) 28.058 1.389 ( 10.005 -0.429 -24.017) 26.021 1.389 ( 10.005 -0.429 24.017) 26.021 2.229 ( 9.055 -4.280 -32.817) 34.311 2.229 ( 9.055 -4.280 32.817) 34.311 2.528 ( 17.591 -2.183 -4.662) 18.329 2.528 ( 17.591 -2.183 4.662) 18.329 2.695 ( 13.508 -0.670 -0.569) 13.537 2.695 ( 13.508 -0.670 0.569) 13.537 3.547 ( -3.430 3.042 -13.009) 13.793 3.547 ( -3.430 3.042 13.009) 13.793 4.146 ( -2.470 7.307 -1.464) 7.851 4.146 ( -2.470 7.307 1.464) 7.851 4.731 ( -2.719 -5.900 -7.701) 10.075 4.731 ( -2.719 -5.900 7.701) 10.075 5.964 ( -4.402 2.025 -9.224) 10.419 5.964 ( -4.402 2.025 9.224) 10.419 6.877 ( 54.406 4.273 -9.440) 55.384 6.877 ( 54.406 4.273 9.440) 55.384 7.744 ( 8.185 0.603 -4.373) 9.300 7.744 ( 8.185 0.603 4.373) 9.300 7.925 ( 8.331 -9.458 -3.310) 13.031 7.925 ( 8.331 -9.458 3.310) 13.031 8.762 ( 4.948 -4.663 -17.497) 18.771 8.762 ( 4.948 -4.663 17.497) 18.771 10.507 ( 0.027 6.581 -14.064) 15.528 10.507 ( 0.027 6.581 14.064) 15.528 11.232 ( -10.631 1.315 -3.482) 11.264 11.232 ( -10.631 1.315 3.482) 11.264 11.820 ( -1.970 -0.591 -11.304) 11.489 11.820 ( -1.970 -0.591 11.304) 11.489 12.392 ( -15.204 -1.473 -0.519) 15.284 12.392 ( -15.204 -1.473 0.519) 15.284 12.956 ( 7.458 -0.634 -1.302) 7.598 12.956 ( 7.458 -0.634 1.302) 7.598 14.352 ( -5.470 -0.187 -0.369) 5.486 14.352 ( -5.470 -0.187 0.369) 5.486 15.782 ( 1.960 0.149 -4.267) 4.698 15.782 ( 1.960 0.149 4.267) 4.698 17.992 ( -12.153 2.506 -1.470) 12.496 17.992 ( -12.153 2.506 1.470) 12.496======================= Grid point 534 (149/219) =======================q-point: ( 0.12 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 386Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.535 ( 13.928 6.163 -21.286) 26.174 1.535 ( 13.928 6.163 21.286) 26.174 1.788 ( 17.875 -10.560 -18.194) 27.605 1.788 ( 17.875 -10.560 18.194) 27.605 2.567 ( 24.594 3.167 -12.453) 27.748 2.567 ( 24.594 3.167 12.453) 27.748 2.944 ( 22.480 -7.415 -8.762) 25.241 2.944 ( 22.480 -7.415 8.762) 25.241 3.056 ( 23.089 -2.963 -2.342) 23.396 3.056 ( 23.089 -2.963 2.342) 23.396 3.483 ( -0.238 4.905 -11.896) 12.870 3.483 ( -0.238 4.905 11.896) 12.870 4.037 ( -2.935 10.900 -2.232) 11.507 4.037 ( -2.935 10.900 2.232) 11.507 4.731 ( -2.064 -9.213 -6.383) 11.396 4.731 ( -2.064 -9.213 6.383) 11.396 5.830 ( -7.982 3.761 -8.736) 12.416 5.830 ( -7.982 3.761 8.736) 12.416 7.545 ( 16.111 5.387 -6.780) 18.291 7.545 ( 16.111 5.387 6.780) 18.291 8.023 ( 20.676 7.641 -2.354) 22.168 8.023 ( 20.676 7.641 2.354) 22.168 8.297 ( 25.605 -6.816 -5.912) 27.148 8.297 ( 25.605 -6.816 5.912) 27.148 8.965 ( 12.591 -10.504 -16.596) 23.330 8.965 ( 12.591 -10.504 16.596) 23.330 10.464 ( 1.370 12.153 -11.806) 16.998 10.464 ( 1.370 12.153 11.806) 16.998 10.957 ( -16.110 0.240 -10.690) 19.336 10.957 ( -16.110 0.240 10.690) 19.336 11.759 ( -6.236 -2.992 -11.765) 13.647 11.759 ( -6.236 -2.992 11.765) 13.647 12.231 ( -2.640 -2.202 -11.517) 12.019 12.231 ( -2.640 -2.202 11.517) 12.019 13.020 ( -0.513 -0.277 -2.681) 2.744 13.020 ( -0.513 -0.277 2.681) 2.744 14.189 ( -12.148 -1.141 -3.297) 12.639 14.189 ( -12.148 -1.141 3.297) 12.639 15.809 ( 0.919 1.108 -0.928) 1.713 15.809 ( 0.919 1.108 0.928) 1.713 17.721 ( -13.798 2.500 -7.282) 15.801 17.721 ( -13.798 2.500 7.282) 15.801======================= Grid point 536 (150/219) =======================q-point: ( 0.19 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.776 ( 14.072 3.286 -15.052) 20.866 1.776 ( 14.072 3.286 15.052) 20.866 2.135 ( 13.157 -12.291 -17.403) 25.041 2.135 ( 13.157 -12.291 17.403) 25.041 2.950 ( 16.468 11.453 -6.550) 21.101 2.950 ( 16.468 11.453 6.550) 21.101 3.400 ( 18.589 -4.549 -5.461) 19.901 3.400 ( 18.589 -4.549 5.461) 19.901 3.448 ( 11.350 0.316 -5.120) 12.456 3.448 ( 11.350 0.316 5.120) 12.456 3.636 ( 24.926 -3.597 -4.651) 25.610 3.636 ( 24.926 -3.597 4.651) 25.610 3.950 ( 1.761 8.330 -1.257) 8.607 3.950 ( 1.761 8.330 1.257) 8.607 4.759 ( -0.183 -8.742 -3.274) 9.337 4.759 ( -0.183 -8.742 3.274) 9.337 5.632 ( -10.078 4.447 -7.906) 13.558 5.632 ( -10.078 4.447 7.906) 13.558 7.669 ( 2.376 0.281 -6.637) 7.055 7.669 ( 2.376 0.281 6.637) 7.055 8.352 ( 17.870 2.089 -3.865) 18.402 8.352 ( 17.870 2.089 3.865) 18.402 8.733 ( 19.855 8.843 -7.573) 23.017 8.733 ( 19.855 8.843 7.573) 23.017 9.320 ( 17.208 -8.660 -8.466) 21.043 9.320 ( 17.208 -8.660 8.466) 21.043 10.393 ( -3.384 11.358 -7.189) 13.861 10.393 ( -3.384 11.358 7.189) 13.861 10.731 ( -4.449 2.392 -13.082) 14.024 10.731 ( -4.449 2.392 13.082) 14.024 11.614 ( -11.642 -6.359 -11.745) 17.718 11.614 ( -11.642 -6.359 11.745) 17.718 12.283 ( 5.270 -1.757 -18.131) 18.963 12.283 ( 5.270 -1.757 18.131) 18.963 12.947 ( -6.857 1.419 -8.209) 10.789 12.947 ( -6.857 1.419 8.209) 10.789 13.927 ( -15.945 -1.900 -4.396) 16.649 13.927 ( -15.945 -1.900 4.396) 16.649 15.798 ( -1.151 1.850 -4.887) 5.351 15.798 ( -1.151 1.850 4.887) 5.351 17.469 ( -11.525 2.021 -9.933) 15.348 17.469 ( -11.525 2.021 9.933) 15.348======================= Grid point 538 (151/219) =======================q-point: ( 0.25 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 386Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.009 ( 11.272 -0.810 -8.491) 14.136 2.009 ( 11.272 -0.810 8.491) 14.136 2.432 ( 11.689 -9.057 -12.946) 19.654 2.432 ( 11.689 -9.057 12.946) 19.654 3.031 ( 2.132 11.380 -8.281) 14.235 3.031 ( 2.132 11.380 8.281) 14.235 3.564 ( 1.399 4.757 -6.074) 7.841 3.564 ( 1.399 4.757 6.074) 7.841 3.695 ( 15.464 6.924 -1.599) 17.018 3.695 ( 15.464 6.924 1.599) 17.018 4.057 ( 11.609 -9.896 -4.128) 15.803 4.057 ( 11.609 -9.896 4.128) 15.803 4.220 ( 26.940 -1.159 -9.919) 28.731 4.220 ( 26.940 -1.159 9.919) 28.731 4.839 ( 4.277 -6.883 -1.957) 8.336 4.839 ( 4.277 -6.883 1.957) 8.336 5.432 ( -7.397 3.497 -6.314) 10.335 5.432 ( -7.397 3.497 6.314) 10.335 7.677 ( -1.388 -1.597 -7.162) 7.468 7.677 ( -1.388 -1.597 7.162) 7.468 8.671 ( 16.341 -0.238 -4.230) 16.881 8.671 ( 16.341 -0.238 4.230) 16.881 8.975 ( 13.162 11.374 -9.627) 19.882 8.975 ( 13.162 11.374 9.627) 19.882 9.656 ( 14.232 -1.142 -1.591) 14.367 9.656 ( 14.232 -1.142 1.591) 14.367 10.243 ( -3.716 6.286 -9.309) 11.831 10.243 ( -3.716 6.286 9.309) 11.831 10.739 ( 5.287 6.524 -12.195) 14.807 10.739 ( 5.287 6.524 12.195) 14.807 11.416 ( -13.312 -8.401 -10.856) 19.122 11.416 ( -13.312 -8.401 10.856) 19.122 12.377 ( 1.877 -0.669 -17.133) 17.248 12.377 ( 1.877 -0.669 17.133) 17.248 12.751 ( -12.138 2.644 -15.291) 19.702 12.751 ( -12.138 2.644 15.291) 19.702 13.652 ( -13.509 -1.915 -4.739) 14.444 13.652 ( -13.509 -1.915 4.739) 14.444 15.750 ( -2.519 2.148 -7.016) 7.758 15.750 ( -2.519 2.148 7.016) 7.758 17.265 ( -9.192 1.732 -10.617) 14.150 17.265 ( -9.192 1.732 10.617) 14.150======================= Grid point 540 (152/219) =======================q-point: ( 0.31 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.199 ( 7.504 -3.335 -3.497) 8.925 2.199 ( 7.504 -3.335 3.497) 8.925 2.647 ( 6.477 -1.993 -7.105) 9.818 2.647 ( 6.477 -1.993 7.105) 9.818 3.010 ( 3.223 5.892 -4.280) 7.963 3.010 ( 3.223 5.892 4.280) 7.963 3.506 ( -1.992 6.782 -3.461) 7.871 3.506 ( -1.992 6.782 3.461) 7.871 3.909 ( 10.031 6.440 -2.043) 12.094 3.909 ( 10.031 6.440 2.043) 12.094 4.268 ( 3.543 -9.756 -5.116) 11.572 4.268 ( 3.543 -9.756 5.116) 11.572 4.656 ( 18.673 1.454 -3.844) 19.120 4.656 ( 18.673 1.454 3.844) 19.120 4.956 ( 2.167 -5.680 -6.227) 8.702 4.956 ( 2.167 -5.680 6.227) 8.702 5.418 ( 9.284 -0.962 -3.826) 10.087 5.418 ( 9.284 -0.962 3.826) 10.087 7.650 ( -2.703 -2.993 -7.199) 8.251 7.650 ( -2.703 -2.993 7.199) 8.251 8.929 ( 8.924 0.381 -5.977) 10.747 8.929 ( 8.924 0.381 5.977) 10.747 9.146 ( 14.197 11.844 -2.382) 18.641 9.146 ( 14.197 11.844 2.382) 18.641 9.786 ( 2.425 7.164 -6.429) 9.926 9.786 ( 2.425 7.164 6.429) 9.926 10.306 ( 11.844 0.321 -12.035) 16.888 10.306 ( 11.844 0.321 12.035) 16.888 10.802 ( 4.368 4.338 -9.679) 11.471 10.802 ( 4.368 4.338 9.679) 11.471 11.233 ( -10.442 -7.139 -9.807) 16.006 11.233 ( -10.442 -7.139 9.807) 16.006 12.261 ( -14.051 4.316 -13.863) 20.205 12.261 ( -14.051 4.316 13.863) 20.205 12.536 ( -9.099 -1.440 -18.908) 21.033 12.536 ( -9.099 -1.440 18.908) 21.033 13.465 ( -7.192 -0.737 -3.449) 8.010 13.465 ( -7.192 -0.737 3.449) 8.010 15.686 ( -2.887 2.229 -7.865) 8.670 15.686 ( -2.887 2.229 7.865) 8.670 17.104 ( -7.026 1.201 -10.408) 12.615 17.104 ( -7.026 1.201 10.408) 12.615======================= Grid point 542 (153/219) =======================q-point: ( 0.38 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 386Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.325 ( 3.830 -3.218 -0.358) 5.015 2.325 ( 3.830 -3.218 0.358) 5.015 2.691 ( 0.538 3.446 -1.093) 3.655 2.691 ( 0.538 3.446 1.093) 3.655 3.103 ( 6.389 -0.185 -2.148) 6.743 3.103 ( 6.389 -0.185 2.148) 6.743 3.451 ( 0.584 4.780 -2.460) 5.408 3.451 ( 0.584 4.780 2.460) 5.408 3.973 ( 0.711 6.969 -1.749) 7.220 3.973 ( 0.711 6.969 1.749) 7.220 4.308 ( -2.398 -5.219 -5.307) 7.820 4.308 ( -2.398 -5.219 5.307) 7.820 4.907 ( 5.366 -10.343 -2.219) 11.861 4.907 ( 5.366 -10.343 2.219) 11.861 5.028 ( 8.096 7.176 -3.905) 11.502 5.028 ( 8.096 7.176 3.905) 11.502 5.707 ( 15.832 -4.436 -4.861) 17.145 5.707 ( 15.832 -4.436 4.861) 17.145 7.616 ( -2.734 -3.400 -7.104) 8.337 7.616 ( -2.734 -3.400 7.104) 8.337 8.966 ( -1.009 6.977 -6.220) 9.402 8.966 ( -1.009 6.977 6.220) 9.402 9.392 ( 15.818 6.761 -3.027) 17.467 9.392 ( 15.818 6.761 3.027) 17.467 9.806 ( 5.722 5.384 -10.653) 13.237 9.806 ( 5.722 5.384 10.653) 13.237 10.539 ( 9.768 -1.135 -13.478) 16.684 10.539 ( 9.768 -1.135 13.478) 16.684 10.842 ( 0.427 0.244 -9.079) 9.092 10.842 ( 0.427 0.244 9.079) 9.092 11.138 ( -1.243 -2.532 -10.303) 10.682 11.138 ( -1.243 -2.532 10.303) 10.682 11.914 ( -17.503 3.875 -11.952) 21.545 11.914 ( -17.503 3.875 11.952) 21.545 12.363 ( -11.122 -1.346 -16.284) 19.766 12.363 ( -11.122 -1.346 16.284) 19.766 13.371 ( -3.574 0.566 -1.042) 3.765 13.371 ( -3.574 0.566 1.042) 3.765 15.621 ( -2.556 2.052 -9.270) 9.833 15.621 ( -2.556 2.052 9.270) 9.833 16.991 ( -4.550 0.326 -9.742) 10.757 16.991 ( -4.550 0.326 9.742) 10.757======================= Grid point 544 (154/219) =======================q-point: ( 0.44 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.381 ( 1.057 -1.139 -1.497) 2.158 2.381 ( 1.057 -1.139 1.497) 2.158 2.683 ( 0.436 1.218 -2.872) 3.150 2.683 ( 0.436 1.218 2.872) 3.150 3.179 ( 1.609 0.965 -4.485) 4.861 3.179 ( 1.609 0.965 4.485) 4.861 3.502 ( 5.978 0.033 -1.880) 6.267 3.502 ( 5.978 0.033 1.880) 6.267 3.877 ( -5.576 6.410 -2.651) 8.900 3.877 ( -5.576 6.410 2.651) 8.900 4.288 ( -1.892 -3.449 -5.803) 7.011 4.288 ( -1.892 -3.449 5.803) 7.011 5.009 ( 0.694 -8.598 -3.241) 9.214 5.009 ( 0.694 -8.598 3.241) 9.214 5.148 ( 7.344 6.928 -0.767) 10.125 5.148 ( 7.344 6.928 0.767) 10.125 5.977 ( 9.600 -3.024 -5.134) 11.298 5.977 ( 9.600 -3.024 5.134) 11.298 7.589 ( -1.769 -2.260 -7.125) 7.681 7.589 ( -1.769 -2.260 7.125) 7.681 8.883 ( -2.499 5.753 -7.205) 9.553 8.883 ( -2.499 5.753 7.205) 9.553 9.598 ( 8.510 3.837 -3.691) 10.038 9.598 ( 8.510 3.837 3.691) 10.038 9.947 ( 10.461 2.766 -10.150) 14.836 9.947 ( 10.461 2.766 10.150) 14.836 10.640 ( -1.091 -5.942 -13.354) 14.657 10.640 ( -1.091 -5.942 13.354) 14.657 10.804 ( -1.850 3.013 -4.063) 5.386 10.804 ( -1.850 3.013 4.063) 5.386 11.208 ( 5.221 1.538 -7.792) 9.505 11.208 ( 5.221 1.538 7.792) 9.505 11.644 ( -8.080 -0.253 -9.768) 12.679 11.644 ( -8.080 -0.253 9.768) 12.679 12.147 ( -11.179 0.315 -12.277) 16.607 12.147 ( -11.179 0.315 12.277) 16.607 13.313 ( -2.073 0.837 -4.092) 4.663 13.313 ( -2.073 0.837 4.092) 4.663 15.572 ( -1.580 1.307 -11.100) 11.288 15.572 ( -1.580 1.307 11.100) 11.288 16.929 ( -2.072 -0.194 -9.058) 9.293 16.929 ( -2.072 -0.194 9.058) 9.293======================= Grid point 546 (155/219) =======================q-point: (-0.50 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.391 ( 0.000 -0.000 -1.752) 1.752 2.391 ( 0.000 -0.000 1.752) 1.752 2.686 ( 0.000 -0.000 -3.359) 3.359 2.686 ( 0.000 -0.000 3.359) 3.359 3.184 ( 0.000 -0.000 -5.026) 5.026 3.184 ( 0.000 -0.000 5.026) 5.026 3.599 ( -0.000 -0.000 -0.274) 0.274 3.599 ( 0.000 -0.000 0.274) 0.274 3.767 ( 0.000 -0.000 -5.085) 5.085 3.767 ( 0.000 -0.000 5.085) 5.085 4.280 ( 0.000 -0.000 -5.785) 5.785 4.280 ( 0.000 -0.000 5.785) 5.785 5.040 ( 0.000 -0.000 -2.517) 2.517 5.040 ( -0.000 -0.000 2.517) 2.517 5.199 ( 0.000 0.000 -1.207) 1.207 5.199 ( 0.000 0.000 1.207) 1.207 6.078 ( 0.000 -0.000 -5.252) 5.252 6.078 ( 0.000 -0.000 5.252) 5.252 7.578 ( 0.000 -0.000 -7.185) 7.185 7.578 ( 0.000 -0.000 7.185) 7.185 8.839 ( 0.000 -0.000 -8.116) 8.116 8.839 ( 0.000 -0.000 8.116) 8.116 9.666 ( 0.000 -0.000 -6.797) 6.797 9.666 ( 0.000 -0.000 6.797) 6.797 10.066 ( 0.000 -0.000 -10.847) 10.847 10.066 ( 0.000 -0.000 10.847) 10.847 10.620 ( 0.000 -0.000 -4.775) 4.775 10.620 ( 0.000 -0.000 4.775) 4.775 10.782 ( 0.000 -0.000 -5.798) 5.798 10.782 ( 0.000 -0.000 5.798) 5.798 11.240 ( 0.000 -0.000 -1.896) 1.896 11.240 ( 0.000 -0.000 1.896) 1.896 11.607 ( 0.000 -0.000 -9.406) 9.406 11.607 ( 0.000 -0.000 9.406) 9.406 12.015 ( 0.000 -0.000 -7.321) 7.321 12.015 ( 0.000 -0.000 7.321) 7.321 13.290 ( 0.000 -0.000 -5.427) 5.427 13.290 ( 0.000 -0.000 5.427) 5.427 15.552 ( 0.000 -0.000 -11.902) 11.902 15.552 ( 0.000 -0.000 11.902) 11.902 16.911 ( 0.000 -0.000 -8.771) 8.771 16.911 ( 0.000 -0.000 8.771) 8.771======================= Grid point 566 (156/219) =======================q-point: ( 0.06 0.06 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 208Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.596 ( 13.846 0.000 -20.101) 24.408 1.596 ( 13.846 0.000 20.101) 24.408 1.702 ( 16.664 0.000 -19.149) 25.385 1.702 ( 16.664 0.000 19.149) 25.385 2.590 ( 28.794 0.000 -15.393) 32.650 2.590 ( 28.794 0.000 15.393) 32.650 2.894 ( 20.692 0.000 -5.346) 21.372 2.894 ( 20.692 0.000 5.346) 21.372 3.042 ( 22.698 0.000 -0.949) 22.718 3.042 ( 22.698 0.000 0.949) 22.718 3.511 ( -0.480 -0.000 -11.443) 11.453 3.511 ( -0.480 -0.000 11.443) 11.453 4.107 ( -3.726 -0.000 -0.876) 3.827 4.107 ( -3.726 -0.000 0.876) 3.827 4.671 ( -1.520 -0.000 -6.591) 6.764 4.671 ( -1.520 -0.000 6.591) 6.764 5.851 ( -8.141 -0.000 -9.047) 12.170 5.851 ( -8.141 -0.000 9.047) 12.170 7.577 ( 12.163 0.000 -7.603) 14.344 7.577 ( 12.163 0.000 7.603) 14.344 8.096 ( 13.067 0.000 -1.154) 13.118 8.096 ( 13.067 0.000 1.154) 13.118 8.228 ( 40.534 0.000 -10.384) 41.843 8.228 ( 40.534 0.000 10.384) 41.843 8.903 ( 12.092 0.000 -18.763) 22.322 8.903 ( 12.092 0.000 18.763) 22.322 10.538 ( 1.289 0.000 -13.139) 13.202 10.538 ( 1.289 0.000 13.139) 13.202 10.955 ( -17.011 -0.000 -11.770) 20.686 10.955 ( -17.011 -0.000 11.770) 20.686 11.741 ( -6.907 -0.000 -11.272) 13.220 11.741 ( -6.907 -0.000 11.272) 13.220 12.218 ( -2.230 -0.000 -11.087) 11.309 12.218 ( -2.230 -0.000 11.087) 11.309 13.018 ( -0.141 -0.000 -2.195) 2.199 13.018 ( -0.141 -0.000 2.195) 2.199 14.183 ( -12.282 -0.000 -3.255) 12.706 14.183 ( -12.282 -0.000 3.255) 12.706 15.815 ( 1.032 0.000 -0.882) 1.358 15.815 ( 1.032 0.000 0.882) 1.358 17.736 ( -14.311 -0.000 -6.891) 15.883 17.736 ( -14.311 -0.000 6.891) 15.883======================= Grid point 568 (157/219) =======================q-point: ( 0.12 0.06 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.827 ( 11.915 4.434 -11.121) 16.891 1.827 ( 11.915 4.434 11.121) 16.891 2.014 ( 15.330 -7.559 -13.296) 21.654 2.014 ( 15.330 -7.559 13.296) 21.654 3.078 ( 17.927 9.443 -4.946) 20.857 3.078 ( 17.927 9.443 4.946) 20.857 3.299 ( 19.718 -9.215 -12.199) 24.951 3.299 ( 19.718 -9.215 12.199) 24.951 3.454 ( 17.717 0.318 -2.228) 17.860 3.454 ( 17.717 0.318 2.228) 17.860 3.627 ( 18.535 0.354 -4.832) 19.158 3.627 ( 18.535 0.354 4.832) 19.158 4.030 ( -1.625 4.317 -2.309) 5.159 4.030 ( -1.625 4.317 2.309) 5.159 4.680 ( 1.365 -4.095 -3.566) 5.599 4.680 ( 1.365 -4.095 3.566) 5.599 5.667 ( -10.633 1.542 -8.298) 13.575 5.667 ( -10.633 1.542 8.298) 13.575 7.672 ( 1.298 0.098 -7.072) 7.191 7.672 ( 1.298 0.098 7.072) 7.191 8.366 ( 15.745 0.538 -3.497) 16.137 8.366 ( 15.745 0.538 3.497) 16.137 8.824 ( 22.234 5.495 -7.787) 24.191 8.824 ( 22.234 5.495 7.787) 24.191 9.232 ( 20.121 -5.283 -11.807) 23.920 9.232 ( 20.121 -5.283 11.807) 23.920 10.489 ( -7.759 4.733 -9.969) 13.490 10.489 ( -7.759 4.733 9.969) 13.490 10.747 ( -1.044 0.472 -14.938) 14.982 10.747 ( -1.044 0.472 14.938) 14.982 11.561 ( -12.461 -2.542 -11.363) 17.054 11.561 ( -12.461 -2.542 11.363) 17.054 12.269 ( 5.654 -0.628 -17.581) 18.478 12.269 ( 5.654 -0.628 17.581) 18.478 12.959 ( -6.074 0.555 -7.419) 9.605 12.959 ( -6.074 0.555 7.419) 9.605 13.912 ( -15.894 -0.643 -2.999) 16.188 13.912 ( -15.894 -0.643 2.999) 16.188 15.811 ( -1.262 0.551 -4.799) 4.993 15.811 ( -1.262 0.551 4.799) 4.993 17.486 ( -11.893 0.761 -10.008) 15.563 17.486 ( -11.893 0.761 10.008) 15.563======================= Grid point 570 (158/219) =======================q-point: ( 0.19 0.06 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.009 ( 9.225 0.489 -7.403) 11.838 2.009 ( 9.225 0.489 7.403) 11.838 2.344 ( 15.118 -5.807 -8.543) 18.310 2.344 ( 15.118 -5.807 8.543) 18.310 3.151 ( 0.228 8.831 -7.083) 11.323 3.151 ( 0.228 8.831 7.083) 11.323 3.587 ( 5.735 -0.168 -7.347) 9.321 3.587 ( 5.735 -0.168 7.347) 9.321 3.765 ( 15.751 4.938 -1.638) 16.588 3.765 ( 15.751 4.938 1.638) 16.588 3.952 ( 8.045 -7.523 -5.659) 12.382 3.952 ( 8.045 -7.523 5.659) 12.382 4.228 ( 27.359 1.693 -10.115) 29.218 4.228 ( 27.359 1.693 10.115) 29.218 4.768 ( 4.716 -5.076 -1.457) 7.080 4.768 ( 4.716 -5.076 1.457) 7.080 5.463 ( -8.637 1.935 -6.528) 10.998 5.463 ( -8.637 1.935 6.528) 10.998 7.663 ( -2.017 -0.888 -7.605) 7.918 7.663 ( -2.017 -0.888 7.605) 7.918 8.663 ( 15.295 -0.726 -5.282) 16.197 8.663 ( 15.295 -0.726 5.282) 16.197 9.095 ( 13.257 8.615 -9.965) 18.688 9.095 ( 13.257 8.615 9.965) 18.688 9.630 ( 18.295 -2.794 -3.141) 18.772 9.630 ( 18.295 -2.794 3.141) 18.772 10.302 ( -6.475 3.758 -11.070) 13.364 10.302 ( -6.475 3.758 11.070) 13.364 10.806 ( 5.636 4.829 -12.256) 14.328 10.806 ( 5.636 4.829 12.256) 14.328 11.331 ( -13.626 -5.912 -9.593) 17.681 11.331 ( -13.626 -5.912 9.593) 17.681 12.370 ( 3.138 -0.433 -18.022) 18.298 12.370 ( 3.138 -0.433 18.022) 18.298 12.777 ( -12.680 1.680 -14.421) 19.277 12.777 ( -12.680 1.680 14.421) 19.277 13.635 ( -13.053 -1.014 -2.786) 13.385 13.635 ( -13.053 -1.014 2.786) 13.385 15.768 ( -2.749 0.915 -7.208) 7.768 15.768 ( -2.749 0.915 7.208) 7.768 17.281 ( -9.463 1.035 -10.970) 14.524 17.281 ( -9.463 1.035 10.970) 14.524======================= Grid point 572 (159/219) =======================q-point: ( 0.25 0.06 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.165 ( 6.696 -2.460 -3.707) 8.039 2.165 ( 6.696 -2.460 3.707) 8.039 2.622 ( 11.188 -1.921 -5.067) 12.432 2.622 ( 11.188 -1.921 5.067) 12.432 3.086 ( -0.740 6.690 -5.346) 8.596 3.086 ( -0.740 6.690 5.346) 8.596 3.572 ( -2.587 4.727 -4.338) 6.918 3.572 ( -2.587 4.727 4.338) 6.918 3.960 ( 7.305 1.903 -4.751) 8.920 3.960 ( 7.305 1.903 4.751) 8.920 4.173 ( 9.157 -5.967 -2.183) 11.145 4.173 ( 9.157 -5.967 2.183) 11.145 4.671 ( 13.800 1.145 -3.297) 14.234 4.671 ( 13.800 1.145 3.297) 14.234 4.899 ( 8.629 -4.280 -8.316) 12.726 4.899 ( 8.629 -4.280 8.316) 12.726 5.409 ( 5.592 -0.618 -2.583) 6.191 5.409 ( 5.592 -0.618 2.583) 6.191 7.621 ( -3.039 -2.018 -7.860) 8.665 7.621 ( -3.039 -2.018 7.860) 8.665 8.919 ( 10.198 -1.297 -6.639) 12.237 8.919 ( 10.198 -1.297 6.639) 12.237 9.277 ( 12.884 9.975 -4.924) 17.022 9.277 ( 12.884 9.975 4.924) 17.022 9.861 ( 5.206 5.702 -7.278) 10.611 9.861 ( 5.206 5.702 7.278) 10.611 10.300 ( 8.648 -1.155 -14.268) 16.724 10.300 ( 8.648 -1.155 14.268) 16.724 10.849 ( 1.327 3.757 -7.072) 8.117 10.849 ( 1.327 3.757 7.072) 8.117 11.158 ( -7.602 -5.731 -6.049) 11.280 11.158 ( -7.602 -5.731 6.049) 11.280 12.309 ( -11.606 3.863 -13.425) 18.162 12.309 ( -11.606 3.863 13.425) 18.162 12.516 ( -11.703 -1.850 -16.235) 20.099 12.516 ( -11.703 -1.850 16.235) 20.099 13.458 ( -6.376 -0.485 -2.996) 7.062 13.458 ( -6.376 -0.485 2.996) 7.062 15.706 ( -3.022 1.261 -8.185) 8.816 15.706 ( -3.022 1.261 8.185) 8.816 17.117 ( -7.500 0.911 -10.883) 13.248 17.117 ( -7.500 0.911 10.883) 13.248======================= Grid point 574 (160/219) =======================q-point: ( 0.31 0.06 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.285 ( 4.213 -3.443 -1.451) 5.631 2.285 ( 4.213 -3.443 1.451) 5.631 2.739 ( 2.064 4.590 -0.867) 5.107 2.739 ( 2.064 4.590 0.867) 5.107 3.104 ( 4.852 0.409 -0.552) 4.900 3.104 ( 4.852 0.409 0.552) 4.900 3.501 ( -1.532 3.735 -2.880) 4.959 3.501 ( -1.532 3.735 2.880) 4.959 4.025 ( 0.546 1.643 -4.482) 4.805 4.025 ( 0.546 1.643 4.482) 4.805 4.281 ( 0.508 1.351 -2.059) 2.514 4.281 ( 0.508 1.351 2.059) 2.514 4.762 ( -0.362 -13.177 -1.529) 13.270 4.762 ( -0.362 -13.177 1.529) 13.270 5.137 ( 14.147 9.880 -4.862) 17.928 5.137 ( 14.147 9.880 4.862) 17.928 5.648 ( 14.691 -5.746 -3.801) 16.226 5.648 ( 14.691 -5.746 3.801) 16.226 7.581 ( -2.398 -2.606 -7.888) 8.647 7.581 ( -2.398 -2.606 7.888) 8.647 9.016 ( 0.141 2.265 -5.150) 5.628 9.016 ( 0.141 2.265 5.150) 5.628 9.483 ( 13.986 8.334 -2.517) 16.474 9.483 ( 13.986 8.334 2.517) 16.474 9.876 ( 3.927 6.642 -10.613) 13.121 9.876 ( 3.927 6.642 10.613) 13.121 10.500 ( 6.005 -5.382 -15.982) 17.902 10.500 ( 6.005 -5.382 15.982) 17.902 10.852 ( 1.669 1.396 -5.989) 6.372 10.852 ( 1.669 1.396 5.989) 6.372 11.117 ( 1.273 -1.183 -7.762) 7.954 11.117 ( 1.273 -1.183 7.762) 7.954 11.960 ( -19.115 3.869 -11.348) 22.564 11.960 ( -19.115 3.869 11.348) 22.564 12.342 ( -10.362 -2.151 -14.843) 18.229 12.342 ( -10.362 -2.151 14.843) 18.229 13.376 ( -3.125 0.390 -0.861) 3.264 13.376 ( -3.125 0.390 0.861) 3.264 15.644 ( -2.573 1.789 -8.953) 9.486 15.644 ( -2.573 1.789 8.953) 9.486 16.993 ( -5.211 0.115 -10.186) 11.442 16.993 ( -5.211 0.115 10.186) 11.442======================= Grid point 576 (161/219) =======================q-point: ( 0.38 0.06 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.360 ( 1.956 -2.346 -1.430) 3.373 2.360 ( 1.956 -2.346 1.430) 3.373 2.715 ( -0.373 4.249 -2.292) 4.842 2.715 ( -0.373 4.249 2.292) 4.842 3.186 ( 2.368 0.297 -3.543) 4.272 3.186 ( 2.368 0.297 3.543) 4.272 3.501 ( 2.954 -0.365 -2.277) 3.748 3.501 ( 2.954 -0.365 2.277) 3.748 3.944 ( -6.745 5.201 -1.568) 8.661 3.944 ( -6.745 5.201 1.568) 8.661 4.263 ( -0.166 -0.705 -4.488) 4.546 4.263 ( -0.166 -0.705 4.488) 4.546 4.857 ( 0.858 -14.424 -0.513) 14.459 4.857 ( 0.858 -14.424 0.513) 14.459 5.282 ( 8.501 13.087 -2.939) 15.880 5.282 ( 8.501 13.087 2.939) 15.880 5.928 ( 10.205 -5.538 -4.481) 12.445 5.928 ( 10.205 -5.538 4.481) 12.445 7.565 ( -0.673 -1.934 -7.668) 7.936 7.565 ( -0.673 -1.934 7.668) 7.936 8.937 ( -5.012 3.735 -5.953) 8.632 8.937 ( -5.012 3.735 5.953) 8.632 9.649 ( 6.563 5.018 -3.910) 9.140 9.649 ( 6.563 5.018 3.910) 9.140 9.980 ( 8.883 2.774 -9.926) 13.606 9.980 ( 8.883 2.774 9.926) 13.606 10.557 ( -1.686 -7.884 -12.255) 14.669 10.557 ( -1.686 -7.884 12.255) 14.669 10.855 ( -0.580 5.131 -4.704) 6.985 10.855 ( -0.580 5.131 4.704) 6.985 11.219 ( 6.673 0.403 -6.503) 9.326 11.219 ( 6.673 0.403 6.503) 9.326 11.646 ( -10.477 0.410 -9.383) 14.071 11.646 ( -10.477 0.410 9.383) 14.071 12.144 ( -10.825 -0.651 -11.533) 15.831 12.144 ( -10.825 -0.651 11.533) 15.831 13.323 ( -2.219 0.778 -3.567) 4.272 13.323 ( -2.219 0.777 3.567) 4.272 15.592 ( -1.710 2.075 -10.310) 10.655 15.592 ( -1.710 2.075 10.310) 10.655 16.923 ( -2.507 -0.828 -9.315) 9.682 16.923 ( -2.507 -0.828 9.315) 9.682======================= Grid point 578 (162/219) =======================q-point: ( 0.44 0.06 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.388 ( 0.337 -0.578 -1.787) 1.909 2.388 ( 0.337 -0.578 1.787) 1.909 2.697 ( 0.071 1.766 -3.167) 3.627 2.697 ( 0.071 1.766 3.167) 3.627 3.190 ( -0.773 0.887 -4.360) 4.516 3.190 ( -0.773 0.887 4.360) 4.516 3.582 ( 2.005 -2.903 -0.863) 3.632 3.582 ( 2.005 -2.903 0.863) 3.632 3.777 ( -6.037 1.835 -4.129) 7.541 3.777 ( -6.037 1.835 4.129) 7.541 4.289 ( 2.683 1.416 -5.387) 6.183 4.289 ( 2.683 1.416 5.387) 6.183 4.931 ( -1.627 -13.149 -0.478) 13.258 4.931 ( -1.627 -13.149 0.478) 13.258 5.310 ( 2.679 13.579 -3.837) 14.363 5.310 ( 2.679 13.579 3.837) 14.363 6.062 ( 1.081 -2.877 -4.999) 5.868 6.062 ( 1.081 -2.877 4.999) 5.868 7.578 ( 1.446 -0.039 -7.152) 7.297 7.578 ( 1.446 -0.039 7.152) 7.297 8.836 ( -3.926 -0.479 -7.688) 8.646 8.836 ( -3.926 -0.479 7.688) 8.646 9.669 ( -2.358 0.639 -6.573) 7.012 9.669 ( -2.358 0.639 6.573) 7.012 10.059 ( -2.594 -1.159 -11.011) 11.372 10.059 ( -2.594 -1.159 11.011) 11.372 10.616 ( 6.356 -0.499 -4.321) 7.702 10.616 ( 6.356 -0.499 4.321) 7.702 10.792 ( -2.870 1.783 -6.318) 7.165 10.792 ( -2.870 1.783 6.318) 7.165 11.236 ( -3.347 -0.724 -1.594) 3.777 11.236 ( -3.347 -0.724 1.594) 3.777 11.615 ( 3.314 1.375 -9.920) 10.549 11.615 ( 3.314 1.375 9.920) 10.549 12.006 ( -1.726 -1.543 -7.112) 7.479 12.006 ( -1.726 -1.543 7.112) 7.479 13.291 ( -0.567 0.225 -5.116) 5.153 13.291 ( -0.567 0.225 5.116) 5.153 15.561 ( -0.379 1.433 -11.383) 11.479 15.561 ( -0.379 1.433 11.383) 11.479 16.905 ( -0.109 -1.013 -8.780) 8.839 16.905 ( -0.109 -1.013 8.780) 8.839======================= Grid point 580 (163/219) =======================q-point: (-0.50 0.06 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.386 ( -0.592 0.092 -1.348) 1.475 2.386 ( -0.592 0.092 1.348) 1.475 2.685 ( -0.554 1.278 -3.646) 3.903 2.685 ( -0.554 1.278 3.646) 3.903 3.167 ( -1.753 -0.949 -4.588) 5.002 3.167 ( -1.753 -0.949 4.588) 5.003 3.504 ( -7.704 0.456 -1.765) 7.917 3.504 ( -7.704 0.456 1.765) 7.917 3.800 ( 3.537 -6.910 -4.816) 9.135 3.800 ( 3.537 -6.910 4.816) 9.135 4.336 ( 3.976 4.675 -5.824) 8.461 4.336 ( 3.976 4.675 5.824) 8.461 4.944 ( -4.691 -12.211 -0.557) 13.093 4.944 ( -4.691 -12.211 0.557) 13.093 5.232 ( -2.356 13.954 -3.470) 14.571 5.232 ( -2.356 13.954 3.470) 14.571 5.996 ( -8.728 0.306 -5.270) 10.200 5.996 ( -8.728 0.306 5.270) 10.200 7.615 ( 2.952 2.203 -6.490) 7.462 7.615 ( 2.952 2.203 6.490) 7.462 8.810 ( -1.085 -6.751 -7.572) 10.203 8.810 ( -1.085 -6.751 7.572) 10.203 9.560 ( -10.036 -3.113 -2.994) 10.926 9.560 ( -10.036 -3.113 2.994) 10.926 9.922 ( -10.531 -1.569 -10.491) 14.948 9.922 ( -10.531 -1.569 10.491) 14.948 10.668 ( -4.412 -1.168 -8.554) 9.696 10.668 ( -4.412 -1.168 8.555) 9.696 10.808 ( 6.531 3.895 -4.198) 8.686 10.808 ( 6.531 3.895 4.198) 8.686 11.183 ( -3.482 -2.811 -8.639) 9.729 11.183 ( -3.482 -2.811 8.639) 9.729 11.656 ( 5.745 2.063 -9.322) 11.142 11.656 ( 5.745 2.063 9.322) 11.142 12.134 ( 11.479 -2.082 -12.609) 17.178 12.134 ( 11.479 -2.082 12.609) 17.178 13.304 ( 1.772 -0.742 -4.152) 4.575 13.304 ( 1.772 -0.742 4.152) 4.575 15.564 ( 1.050 -0.106 -11.065) 11.115 15.564 ( 1.050 -0.106 11.065) 11.115 16.927 ( 1.912 -0.609 -8.786) 9.012 16.927 ( 1.912 -0.609 8.786) 9.012======================= Grid point 582 (164/219) =======================q-point: (-0.44 0.06 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.353 ( -3.011 1.661 -0.862) 3.545 2.353 ( -3.011 1.661 0.862) 3.545 2.668 ( -0.642 -0.446 -3.374) 3.463 2.668 ( -0.642 -0.446 3.374) 3.463 3.105 ( -6.069 -0.135 -3.099) 6.816 3.105 ( -6.069 -0.135 3.099) 6.816 3.401 ( -2.985 -3.618 -2.749) 5.436 3.401 ( -2.985 -3.618 2.749) 5.436 3.881 ( -1.037 -8.608 -3.071) 9.198 3.881 ( -1.037 -8.608 3.071) 9.198 4.380 ( 3.992 6.639 -5.846) 9.705 4.380 ( 3.992 6.639 5.846) 9.705 4.876 ( -10.589 -9.710 -0.677) 14.383 4.876 ( -10.589 -9.710 0.677) 14.383 5.095 ( -2.240 12.894 -2.987) 13.424 5.095 ( -2.240 12.894 2.987) 13.424 5.747 ( -16.146 2.534 -5.421) 17.219 5.747 ( -16.146 2.534 5.421) 17.219 7.657 ( 3.133 3.654 -6.150) 7.810 7.657 ( 3.133 3.654 6.150) 7.810 8.857 ( -0.297 -11.440 -6.639) 13.230 8.857 ( -0.297 -11.440 6.639) 13.230 9.334 ( -15.544 -3.637 -3.725) 16.392 9.334 ( -15.544 -3.637 3.725) 16.392 9.755 ( -7.400 -3.418 -10.646) 13.408 9.755 ( -7.400 -3.418 10.646) 13.408 10.528 ( -11.470 -2.648 -9.345) 15.030 10.528 ( -11.470 -2.648 9.345) 15.030 10.842 ( -2.826 0.038 -11.777) 12.112 10.842 ( -2.826 0.038 11.777) 12.112 11.175 ( 5.092 3.988 -12.755) 14.301 11.175 ( 5.092 3.988 12.755) 14.301 11.876 ( 16.169 -2.593 -11.669) 20.108 11.876 ( 16.169 -2.593 11.669) 20.108 12.370 ( 11.635 -0.274 -17.026) 20.624 12.370 ( 11.635 -0.274 17.026) 20.624 13.363 ( 4.087 -0.696 -1.118) 4.294 13.363 ( 4.087 -0.696 1.118) 4.294 15.599 ( 1.997 -1.861 -9.203) 9.600 15.599 ( 1.997 -1.861 9.203) 9.600 16.986 ( 4.117 -0.558 -9.161) 10.059 16.986 ( 4.117 -0.558 9.161) 10.059======================= Grid point 584 (165/219) =======================q-point: (-0.38 0.06 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.239 ( -7.665 3.546 -3.141) 9.010 2.239 ( -7.665 3.546 3.141) 9.010 2.659 ( -1.744 -0.022 -6.365) 6.600 2.659 ( -1.744 -0.022 6.365) 6.600 2.966 ( -7.234 -1.428 -1.936) 7.624 2.966 ( -7.234 -1.428 1.936) 7.624 3.421 ( 0.666 -7.707 -2.250) 8.057 3.421 ( 0.666 -7.707 2.250) 8.057 3.825 ( -10.104 -7.868 -1.398) 12.883 3.825 ( -10.104 -7.868 1.398) 12.883 4.377 ( -1.765 8.573 -5.188) 10.175 4.377 ( -1.765 8.573 5.188) 10.175 4.638 ( -16.883 -1.564 -3.551) 17.323 4.638 ( -16.883 -1.564 3.551) 17.323 5.028 ( -1.169 6.898 -4.872) 8.526 5.028 ( -1.169 6.898 4.872) 8.526 5.429 ( -12.874 0.971 -4.986) 13.839 5.429 ( -12.874 0.971 4.986) 13.839 7.687 ( 2.245 3.507 -6.336) 7.582 7.687 ( 2.245 3.507 6.336) 7.582 8.870 ( -7.484 -10.964 -6.368) 14.723 8.870 ( -7.484 -10.964 6.368) 14.723 9.054 ( -14.599 -2.861 -4.362) 15.503 9.054 ( -14.599 -2.861 4.362) 15.503 9.703 ( -2.158 -7.195 -6.217) 9.750 9.703 ( -2.158 -7.195 6.217) 9.750 10.291 ( -13.505 -2.254 -9.252) 16.524 10.291 ( -13.505 -2.254 9.252) 16.524 10.753 ( -6.613 -4.192 -11.655) 14.041 10.753 ( -6.613 -4.192 11.655) 14.041 11.316 ( 12.080 7.317 -13.239) 19.358 11.316 ( 12.080 7.317 13.239) 19.358 12.215 ( 15.693 -3.620 -13.821) 21.222 12.215 ( 15.693 -3.620 13.821) 21.222 12.547 ( 7.571 0.486 -20.148) 21.529 12.547 ( 7.571 0.486 20.148) 21.529 13.475 ( 8.329 0.898 -3.728) 9.169 13.475 ( 8.329 0.898 3.728) 9.169 15.655 ( 2.337 -3.159 -7.224) 8.223 15.655 ( 2.337 -3.159 7.224) 8.223 17.090 ( 6.555 -1.163 -9.634) 11.710 17.090 ( 6.555 -1.163 9.634) 11.710======================= Grid point 586 (166/219) =======================q-point: (-0.31 0.06 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.031 ( -12.187 3.029 -7.472) 14.613 2.031 ( -12.187 3.029 7.472) 14.613 2.539 ( -8.267 9.118 -14.051) 18.680 2.539 ( -8.267 9.118 14.051) 18.680 2.906 ( -3.635 -9.783 -7.563) 12.889 2.906 ( -3.635 -9.783 7.563) 12.889 3.476 ( -1.984 -10.384 -3.300) 11.075 3.476 ( -1.984 -10.384 3.300) 11.075 3.619 ( -14.350 -6.145 -1.233) 15.659 3.619 ( -14.350 -6.145 1.233) 15.659 4.143 ( -17.413 4.264 -2.878) 18.157 4.143 ( -17.413 4.264 2.878) 18.157 4.279 ( -20.983 9.502 -9.829) 25.044 4.279 ( -20.983 9.502 9.829) 25.044 4.916 ( -3.668 6.336 -2.626) 7.778 4.916 ( -3.668 6.336 2.626) 7.778 5.386 ( 5.335 -4.354 -6.059) 9.172 5.386 ( 5.335 -4.354 6.059) 9.172 7.698 ( 0.441 2.026 -6.541) 6.862 7.698 ( 0.441 2.026 6.541) 6.862 8.650 ( -18.073 -4.997 -3.878) 19.148 8.650 ( -18.073 -4.997 3.878) 19.148 8.865 ( -11.088 -6.444 -8.937) 15.631 8.865 ( -11.088 -6.444 8.937) 15.631 9.648 ( -9.698 -2.599 -0.753) 10.068 9.648 ( -9.698 -2.599 0.753) 10.068 10.164 ( -0.695 -7.421 -7.529) 10.594 10.164 ( -0.695 -7.421 7.529) 10.594 10.666 ( -5.092 -6.039 -12.344) 14.656 10.666 ( -5.092 -6.039 12.344) 14.656 11.514 ( 13.307 8.524 -12.199) 19.964 11.514 ( 13.307 8.524 12.199) 19.964 12.384 ( 0.095 0.611 -15.371) 15.384 12.384 ( 0.095 0.611 15.371) 15.384 12.721 ( 11.317 -2.577 -16.039) 19.798 12.721 ( 11.317 -2.577 16.039) 19.798 13.678 ( 14.264 2.649 -6.205) 15.780 13.678 ( 14.264 2.649 6.205) 15.780 15.717 ( 2.051 -3.715 -6.477) 7.743 15.717 ( 2.051 -3.715 6.477) 7.743 17.244 ( 8.821 -1.908 -9.906) 13.401 17.244 ( 8.821 -1.908 9.906) 13.401======================= Grid point 588 (167/219) =======================q-point: (-0.25 0.06 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.762 ( -14.786 0.966 -13.190) 19.838 1.762 ( -14.786 0.966 13.190) 19.838 2.279 ( -12.639 12.405 -16.663) 24.317 2.279 ( -12.639 12.405 16.663) 24.317 2.829 ( -13.425 -9.541 -6.721) 17.789 2.829 ( -13.425 -9.541 6.721) 17.789 3.363 ( -12.717 -8.726 -6.559) 16.759 3.363 ( -12.717 -8.726 6.559) 16.759 3.443 ( -11.207 -1.987 -3.338) 11.861 3.443 ( -11.207 -1.987 3.338) 11.861 3.736 ( -27.930 12.817 -10.597) 32.506 3.736 ( -27.930 12.817 10.597) 32.506 3.863 ( -7.779 -6.257 -0.893) 10.023 3.863 ( -7.779 -6.257 0.893) 10.023 4.864 ( 1.882 9.227 -2.615) 9.774 4.864 ( 1.882 9.227 2.615) 9.774 5.567 ( 8.956 -6.847 -7.240) 13.398 5.567 ( 8.956 -6.847 7.240) 13.398 7.665 ( -4.234 -0.377 -5.896) 7.269 7.665 ( -4.234 -0.377 5.896) 7.269 8.315 ( -20.325 -4.518 -5.541) 21.545 8.315 ( -20.325 -4.518 5.541) 21.545 8.646 ( -16.214 -5.882 -7.599) 18.848 8.646 ( -16.214 -5.882 7.599) 18.848 9.409 ( -12.691 6.455 -5.634) 15.313 9.409 ( -12.691 6.455 5.634) 15.313 10.245 ( -1.095 -14.134 -5.666) 15.267 10.245 ( -1.095 -14.134 5.666) 15.267 10.693 ( 6.747 -4.218 -12.372) 14.709 10.693 ( 6.747 -4.218 12.372) 14.709 11.697 ( 10.628 7.884 -12.071) 17.912 11.697 ( 10.628 7.884 12.071) 17.912 12.308 ( -4.512 2.553 -18.748) 19.452 12.308 ( -4.512 2.553 18.748) 19.452 12.929 ( 8.139 -1.690 -9.078) 12.309 12.929 ( 8.139 -1.690 9.078) 12.309 13.955 ( 16.075 3.059 -5.838) 17.373 13.955 ( 16.075 3.059 5.838) 17.373 15.768 ( 0.953 -3.540 -4.800) 6.039 15.768 ( 0.953 -3.540 4.800) 6.039 17.442 ( 10.940 -2.644 -9.576) 14.777 17.442 ( 10.940 -2.644 9.576) 14.777======================= Grid point 590 (168/219) =======================q-point: (-0.19 0.06 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.489 ( -13.708 -1.460 -19.602) 23.964 1.489 ( -13.708 -1.460 19.602) 23.964 1.905 ( -21.517 9.292 -14.754) 27.695 1.905 ( -21.517 9.292 14.754) 27.695 2.537 ( -17.228 -1.400 -8.575) 19.295 2.537 ( -17.228 -1.400 8.575) 19.295 3.014 ( -21.521 3.604 -7.770) 23.163 3.014 ( -21.521 3.604 7.770) 23.163 3.135 ( -25.768 11.250 -10.661) 30.070 3.135 ( -25.768 11.250 10.661) 30.070 3.400 ( -0.458 -9.571 -12.480) 15.734 3.400 ( -0.458 -9.571 12.480) 15.734 3.892 ( 1.399 -13.369 -2.354) 13.647 3.892 ( 1.399 -13.369 2.354) 13.647 4.853 ( 2.900 11.428 -5.671) 13.083 4.853 ( 2.900 11.428 5.671) 13.083 5.767 ( 7.516 -7.172 -7.904) 13.054 5.767 ( 7.516 -7.172 7.904) 13.054 7.470 ( -22.696 -6.829 -4.571) 24.138 7.470 ( -22.696 -6.829 4.571) 24.138 7.959 ( -18.234 -3.701 -5.537) 19.412 7.959 ( -18.234 -3.701 5.537) 19.412 8.344 ( -16.059 1.570 -3.183) 16.447 8.344 ( -16.059 1.570 3.183) 16.447 9.123 ( -10.441 15.882 -13.164) 23.121 9.123 ( -10.441 15.882 13.164) 23.121 10.285 ( -2.719 -18.243 -10.016) 20.989 10.285 ( -2.719 -18.243 10.016) 20.989 10.939 ( 14.728 -3.146 -9.539) 17.827 10.939 ( 14.728 -3.146 9.539) 17.827 11.805 ( 4.584 4.907 -13.087) 14.710 11.805 ( 4.584 4.907 13.087) 14.710 12.266 ( 3.694 3.976 -12.416) 13.551 12.266 ( 3.694 3.976 12.416) 13.551 13.025 ( 1.489 0.520 -3.621) 3.950 13.025 ( 1.489 0.520 3.621) 3.950 14.209 ( 11.786 2.270 -3.339) 12.459 14.209 ( 11.786 2.270 3.339) 12.459 15.789 ( -0.598 -2.533 -1.161) 2.850 15.789 ( -0.598 -2.533 1.161) 2.850 17.683 ( 12.581 -3.972 -7.894) 15.374 17.683 ( 12.581 -3.972 7.894) 15.374======================= Grid point 592 (169/219) =======================q-point: (-0.12 0.06 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.276 ( -12.762 -0.812 -20.384) 24.064 1.276 ( -12.762 -0.812 20.384) 24.064 1.406 ( -21.305 2.735 -17.775) 27.881 1.406 ( -21.305 2.735 17.775) 27.881 2.303 ( -5.054 7.036 -20.129) 21.914 2.303 ( -5.054 7.036 20.129) 21.914 2.587 ( -18.800 8.792 -15.137) 25.688 2.587 ( -18.800 8.792 15.137) 25.688 2.710 ( -14.261 2.183 -1.714) 14.528 2.710 ( -14.261 2.183 1.714) 14.528 3.479 ( 2.492 -8.767 -13.679) 16.437 3.479 ( 2.492 -8.767 13.679) 16.437 4.011 ( 2.069 -14.664 -2.941) 15.099 4.011 ( 2.069 -14.664 2.941) 15.099 4.837 ( 2.428 11.460 -7.085) 13.690 4.837 ( 2.428 11.460 7.085) 13.690 5.918 ( 4.499 -5.869 -8.444) 11.224 5.918 ( 4.499 -5.869 8.444) 11.224 6.814 ( -46.159 -4.941 -4.485) 46.638 6.814 ( -46.159 -4.941 4.485) 46.638 7.739 ( -6.954 -0.252 -4.500) 8.287 7.739 ( -6.954 -0.252 4.500) 8.287 8.069 ( -8.268 12.202 -5.994) 15.911 8.069 ( -8.268 12.202 5.994) 15.911 8.878 ( -5.070 15.951 -15.448) 22.776 8.878 ( -5.070 15.951 15.448) 22.776 10.367 ( -0.004 -17.163 -12.876) 21.456 10.367 ( -0.004 -17.163 12.876) 21.456 11.201 ( 9.456 -4.235 -3.080) 10.809 11.201 ( 9.456 -4.235 3.080) 10.809 11.833 ( 1.243 1.775 -12.909) 13.089 11.833 ( 1.243 1.775 12.909) 13.089 12.423 ( 14.860 3.854 -1.396) 15.415 12.423 ( 14.860 3.854 1.396) 15.415 12.969 ( -6.982 1.721 -1.273) 7.303 12.969 ( -6.982 1.721 1.273) 7.303 14.357 ( 4.959 0.745 -1.193) 5.155 14.357 ( 4.959 0.745 1.193) 5.155 15.777 ( -1.394 -0.773 -6.235) 6.435 15.777 ( -1.394 -0.773 6.235) 6.435 17.940 ( 10.748 -6.061 -4.225) 13.043 17.940 ( 10.748 -6.061 4.225) 13.043======================= Grid point 594 (170/219) =======================q-point: (-0.06 0.06 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 208Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.009 ( -0.000 4.850 -17.097) 17.772 1.009 ( -0.000 4.850 17.097) 17.772 1.291 ( 0.000 -4.553 -27.890) 28.259 1.291 ( 0.000 -4.553 27.890) 28.259 2.238 ( -0.000 14.481 -41.535) 43.987 2.238 ( -0.000 14.481 41.535) 43.987 2.332 ( 0.000 -0.605 -3.455) 3.507 2.332 ( 0.000 -0.605 3.455) 3.507 2.566 ( -0.000 0.715 -1.013) 1.240 2.566 ( -0.000 0.715 1.013) 1.240 3.562 ( 0.000 -7.367 -13.369) 15.265 3.562 ( 0.000 -7.367 13.369) 15.265 4.115 ( 0.000 -12.535 -2.317) 12.747 4.115 ( 0.000 -12.535 2.317) 12.747 4.810 ( -0.000 8.760 -7.669) 11.643 4.810 ( -0.000 8.760 7.669) 11.643 5.997 ( 0.000 -3.520 -9.045) 9.706 5.997 ( 0.000 -3.520 9.045) 9.706 6.228 ( -0.000 4.961 -3.488) 6.065 6.228 ( -0.000 4.961 3.488) 6.065 7.677 ( 0.000 -0.226 -3.193) 3.201 7.677 ( 0.000 -0.226 3.193) 3.201 7.914 ( -0.000 13.728 -5.421) 14.760 7.914 ( -0.000 13.728 5.421) 14.760 8.758 ( -0.000 9.873 -16.319) 19.073 8.758 ( -0.000 9.873 16.319) 19.073 10.454 ( 0.000 -12.319 -13.936) 18.600 10.454 ( 0.000 -12.319 13.936) 18.600 11.314 ( 0.000 -3.736 -0.942) 3.853 11.314 ( 0.000 -3.736 0.942) 3.853 11.840 ( -0.000 0.571 -11.822) 11.836 11.840 ( -0.000 0.571 11.822) 11.836 12.682 ( -0.000 1.191 -0.561) 1.316 12.682 ( -0.000 1.191 0.561) 1.316 12.776 ( -0.000 2.602 -5.031) 5.664 12.776 ( -0.000 2.602 5.031) 5.664 14.399 ( 0.000 -0.103 -3.061) 3.063 14.399 ( 0.000 -0.103 3.061) 3.063 15.761 ( -0.000 0.226 -8.281) 8.284 15.761 ( -0.000 0.226 8.281) 8.284 18.093 ( 0.000 -6.120 -4.374) 7.522 18.093 ( 0.000 -6.120 4.374) 7.522======================= Grid point 600 (171/219) =======================q-point: ( 0.12 0.12 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 209Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.013 ( 7.859 0.000 -5.067) 9.351 2.013 ( 7.859 0.000 5.067) 9.351 2.309 ( 16.930 0.000 -0.109) 16.930 2.309 ( 16.930 0.000 0.109) 16.930 3.207 ( -1.371 -0.000 -3.588) 3.841 3.207 ( -1.371 -0.000 3.588) 3.841 3.581 ( 9.051 0.000 -4.744) 10.219 3.581 ( 9.051 0.000 4.744) 10.219 3.797 ( 18.453 0.000 -1.103) 18.486 3.797 ( 18.453 0.000 1.103) 18.486 3.904 ( 3.771 0.000 -7.239) 8.162 3.904 ( 3.771 0.000 7.239) 8.162 4.241 ( 27.131 0.000 -10.237) 28.998 4.241 ( 27.131 0.000 10.237) 28.998 4.736 ( 4.813 0.000 -0.818) 4.882 4.736 ( 4.813 0.000 0.818) 4.882 5.474 ( -9.049 -0.000 -6.611) 11.206 5.474 ( -9.049 -0.000 6.611) 11.206 7.658 ( -2.236 -0.000 -7.767) 8.082 7.658 ( -2.236 -0.000 7.767) 8.082 8.658 ( 15.010 0.000 -5.593) 16.018 8.658 ( 15.010 0.000 5.593) 16.018 9.149 ( 12.608 0.000 -10.367) 16.323 9.149 ( 12.608 0.000 10.367) 16.323 9.610 ( 20.262 0.000 -4.089) 20.670 9.610 ( 20.262 0.000 4.089) 20.670 10.324 ( -7.372 -0.000 -11.835) 13.943 10.324 ( -7.372 -0.000 11.835) 13.943 10.836 ( 5.973 0.000 -12.374) 13.740 10.836 ( 5.973 0.000 12.374) 13.740 11.295 ( -13.974 -0.000 -8.973) 16.607 11.295 ( -13.974 -0.000 8.973) 16.607 12.368 ( 3.564 0.000 -18.276) 18.620 12.368 ( 3.564 0.000 18.276) 18.620 12.787 ( -12.864 -0.000 -14.045) 19.046 12.787 ( -12.864 -0.000 14.045) 19.046 13.629 ( -12.901 -0.000 -1.293) 12.965 13.629 ( -12.901 -0.000 1.293) 12.965 15.773 ( -2.814 -0.000 -7.240) 7.768 15.773 ( -2.814 -0.000 7.240) 7.768 17.287 ( -9.563 -0.000 -11.069) 14.628 17.287 ( -9.563 -0.000 11.069) 14.628======================= Grid point 602 (172/219) =======================q-point: ( 0.19 0.12 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.145 ( 6.064 -0.916 -3.871) 7.252 2.145 ( 6.064 -0.916 3.871) 7.252 2.607 ( 13.707 -0.720 -2.015) 13.873 2.607 ( 13.707 -0.719 2.015) 13.873 3.145 ( -3.033 3.012 -4.461) 6.179 3.145 ( -3.033 3.012 4.461) 6.179 3.610 ( -2.781 1.818 -3.293) 4.678 3.610 ( -2.781 1.818 3.293) 4.678 3.956 ( 3.472 -1.317 -7.047) 7.966 3.956 ( 3.472 -1.317 7.047) 7.966 4.139 ( 15.455 -0.780 -2.303) 15.645 4.139 ( 15.455 -0.780 2.303) 15.645 4.682 ( 5.669 0.672 -2.817) 6.366 4.682 ( 5.669 0.672 2.817) 6.366 4.862 ( 17.329 -1.849 -10.234) 20.210 4.862 ( 17.329 -1.849 10.234) 20.210 5.404 ( 3.239 -0.200 -1.647) 3.639 5.404 ( 3.239 -0.200 1.647) 3.639 7.605 ( -3.211 -0.713 -8.219) 8.853 7.605 ( -3.211 -0.713 8.219) 8.853 8.907 ( 10.565 -0.567 -6.892) 12.627 8.907 ( 10.565 -0.567 6.892) 12.627 9.358 ( 11.876 3.740 -5.971) 13.809 9.358 ( 11.876 3.740 5.971) 13.809 9.909 ( 9.075 2.349 -8.196) 12.452 9.909 ( 9.075 2.349 8.196) 12.452 10.287 ( 4.987 -0.853 -15.512) 16.316 10.287 ( 4.987 -0.853 15.512) 16.316 10.882 ( -1.612 1.713 -3.899) 4.554 10.882 ( -1.612 1.713 3.899) 4.554 11.109 ( -4.555 -2.436 -2.177) 5.605 11.109 ( -4.555 -2.436 2.177) 5.605 12.343 ( -8.906 1.740 -11.695) 14.803 12.343 ( -8.906 1.740 11.695) 14.803 12.498 ( -14.589 -1.017 -11.318) 18.493 12.498 ( -14.589 -1.017 11.318) 18.493 13.455 ( -5.948 -0.170 -2.628) 6.504 13.455 ( -5.948 -0.170 2.628) 6.504 15.715 ( -2.994 0.400 -8.296) 8.829 15.715 ( -2.994 0.400 8.296) 8.829 17.124 ( -7.797 0.340 -11.096) 13.566 17.124 ( -7.797 0.340 11.096) 13.566======================= Grid point 604 (173/219) =======================q-point: ( 0.25 0.12 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 386Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.252 ( 4.377 -2.124 -1.841) 5.202 2.252 ( 4.377 -2.124 1.841) 5.202 2.785 ( 4.579 3.058 -1.134) 5.622 2.785 ( 4.579 3.058 1.134) 5.622 3.112 ( 2.083 0.756 -1.185) 2.513 3.112 ( 2.083 0.756 1.185) 2.513 3.533 ( -3.364 1.741 -2.690) 4.646 3.533 ( -3.364 1.741 2.690) 4.646 4.019 ( 1.873 -1.600 -6.092) 6.572 4.019 ( 1.873 -1.600 6.092) 6.572 4.335 ( 4.056 7.007 -1.544) 8.242 4.335 ( 4.056 7.007 1.544) 8.242 4.619 ( -4.734 -11.404 -2.796) 12.660 4.619 ( -4.734 -11.404 2.796) 12.660 5.239 ( 17.951 7.489 -7.361) 20.797 5.239 ( 17.951 7.489 7.361) 20.797 5.582 ( 12.427 -5.330 -2.489) 13.749 5.582 ( 12.427 -5.330 2.489) 13.749 7.558 ( -2.170 -1.411 -8.404) 8.793 7.558 ( -2.170 -1.411 8.404) 8.793 9.029 ( 1.577 0.349 -4.117) 4.422 9.029 ( 1.577 0.349 4.117) 4.422 9.564 ( 12.388 5.243 -2.197) 13.630 9.564 ( 12.388 5.243 2.197) 13.630 9.952 ( 2.170 6.078 -10.664) 12.465 9.952 ( 2.170 6.078 10.664) 12.465 10.430 ( 3.121 -5.950 -15.543) 16.933 10.430 ( 3.121 -5.950 15.543) 16.933 10.869 ( 4.001 1.305 -3.124) 5.241 10.869 ( 4.001 1.305 3.124) 5.241 11.108 ( 2.139 -0.446 -4.575) 5.069 11.108 ( 2.139 -0.446 4.575) 5.069 11.997 ( -20.855 2.521 -8.836) 22.790 11.997 ( -20.855 2.521 8.836) 22.790 12.319 ( -9.314 -1.697 -11.926) 15.227 12.319 ( -9.314 -1.697 11.926) 15.227 13.380 ( -2.819 0.197 -0.589) 2.887 13.380 ( -2.819 0.197 0.589) 2.887 15.660 ( -2.342 1.049 -8.573) 8.949 15.660 ( -2.342 1.049 8.573) 8.949 16.994 ( -5.811 0.010 -10.467) 11.972 16.994 ( -5.811 0.010 10.467) 11.972======================= Grid point 606 (174/219) =======================q-point: ( 0.31 0.12 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.333 ( 2.837 -2.168 -1.167) 3.756 2.333 ( 2.837 -2.168 1.167) 3.756 2.771 ( -1.442 4.946 -2.430) 5.696 2.771 ( -1.442 4.946 2.430) 5.696 3.186 ( 3.500 -0.340 -2.300) 4.202 3.186 ( 3.500 -0.340 2.300) 4.202 3.491 ( -0.278 -1.226 -2.401) 2.711 3.491 ( -0.278 -1.226 2.401) 2.711 3.995 ( -5.567 3.812 -2.646) 7.248 3.995 ( -5.567 3.812 2.646) 7.248 4.273 ( -1.208 2.264 -2.341) 3.473 4.273 ( -1.208 2.264 2.341) 3.473 4.701 ( 2.214 -12.462 -1.865) 12.794 4.701 ( 2.214 -12.462 1.865) 12.794 5.428 ( 9.162 12.158 -5.681) 16.249 5.428 ( 9.162 12.158 5.681) 16.249 5.853 ( 10.549 -7.350 -3.017) 13.207 5.853 ( 10.549 -7.350 3.017) 13.207 7.546 ( 0.160 -1.294 -8.065) 8.170 7.546 ( 0.160 -1.294 8.065) 8.170 8.968 ( -6.171 1.803 -4.036) 7.591 8.968 ( -6.171 1.803 4.036) 7.591 9.709 ( 4.610 5.146 -3.727) 7.850 9.709 ( 4.610 5.146 3.727) 7.850 10.006 ( 5.619 1.590 -10.556) 12.064 10.006 ( 5.619 1.590 10.556) 12.064 10.473 ( 0.779 -6.438 -10.352) 12.215 10.473 ( 0.779 -6.438 10.352) 12.215 10.911 ( -0.803 4.481 -5.311) 6.995 10.911 ( -0.803 4.481 5.311) 6.995 11.219 ( 7.803 -0.355 -5.005) 9.277 11.219 ( 7.803 -0.355 5.005) 9.277 11.650 ( -12.479 0.274 -7.157) 14.388 11.650 ( -12.479 0.274 7.157) 14.388 12.136 ( -10.454 -0.741 -9.977) 14.470 12.136 ( -10.454 -0.741 9.977) 14.470 13.331 ( -2.249 0.551 -2.671) 3.535 13.331 ( -2.249 0.551 2.671) 3.535 15.615 ( -1.560 1.908 -9.114) 9.442 15.615 ( -1.560 1.908 9.114) 9.442 16.912 ( -3.040 -0.923 -9.544) 10.059 16.912 ( -3.040 -0.923 9.544) 10.059======================= Grid point 608 (175/219) =======================q-point: ( 0.38 0.12 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 386Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.379 ( 1.166 -0.807 -1.847) 2.329 2.379 ( 1.166 -0.807 1.847) 2.329 2.723 ( -0.906 2.652 -2.574) 3.805 2.723 ( -0.906 2.652 2.574) 3.805 3.204 ( -0.780 1.638 -2.571) 3.147 3.204 ( -0.780 1.638 2.571) 3.147 3.535 ( 1.780 -5.003 -2.555) 5.893 3.535 ( 1.780 -5.003 2.555) 5.893 3.809 ( -9.217 3.589 -2.318) 10.159 3.809 ( -9.217 3.589 2.318) 10.159 4.308 ( 4.604 1.810 -4.409) 6.627 4.308 ( 4.604 1.810 4.409) 6.627 4.785 ( -0.897 -11.842 -2.021) 12.047 4.785 ( -0.897 -11.842 2.021) 12.047 5.466 ( 2.879 13.245 -6.386) 14.983 5.466 ( 2.879 13.245 6.386) 14.983 6.014 ( 2.154 -5.318 -4.111) 7.059 6.014 ( 2.154 -5.319 4.111) 7.059 7.577 ( 2.651 -0.057 -7.072) 7.553 7.577 ( 2.651 -0.057 7.072) 7.553 8.829 ( -7.137 -0.662 -6.599) 9.743 8.829 ( -7.137 -0.662 6.599) 9.743 9.679 ( -5.143 1.016 -5.930) 7.915 9.679 ( -5.143 1.016 5.930) 7.915 10.042 ( -3.581 -1.785 -11.374) 12.057 10.042 ( -3.581 -1.785 11.374) 12.057 10.610 ( 10.495 -0.556 -3.345) 11.029 10.610 ( 10.495 -0.556 3.345) 11.029 10.818 ( -4.734 2.532 -7.166) 8.954 10.818 ( -4.734 2.532 7.166) 8.954 11.225 ( -6.157 -1.114 -0.999) 6.336 11.225 ( -6.157 -1.114 0.999) 6.336 11.636 ( 7.167 2.084 -11.205) 13.463 11.636 ( 7.167 2.084 11.205) 13.463 11.982 ( -4.111 -2.362 -6.322) 7.902 11.982 ( -4.111 -2.362 6.322) 7.902 13.295 ( -1.042 0.312 -4.268) 4.405 13.295 ( -1.042 0.312 4.268) 4.405 15.582 ( -0.711 2.068 -9.985) 10.222 15.582 ( -0.711 2.068 9.985) 10.222 16.890 ( -0.188 -1.477 -8.794) 8.919 16.890 ( -0.188 -1.477 8.794) 8.919======================= Grid point 610 (176/219) =======================q-point: (-0.56 0.12 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.388 ( -0.265 0.300 -1.598) 1.647 2.388 ( -0.265 0.300 1.598) 1.647 2.702 ( -0.585 1.278 -3.060) 3.367 2.702 ( -0.585 1.278 3.060) 3.367 3.162 ( -2.680 0.358 -3.520) 4.438 3.162 ( -2.680 0.358 3.520) 4.438 3.508 ( -7.174 -0.004 -1.851) 7.409 3.508 ( -7.174 -0.004 1.851) 7.409 3.727 ( 0.805 -5.406 -6.598) 8.568 3.727 ( 0.805 -5.406 6.598) 8.568 4.389 ( 5.394 4.460 -5.021) 8.614 4.389 ( 5.394 4.460 5.021) 8.614 4.805 ( -3.993 -11.689 -2.182) 12.544 4.805 ( -3.993 -11.689 2.182) 12.544 5.392 ( -2.306 13.618 -5.981) 15.051 5.392 ( -2.306 13.618 5.981) 15.051 5.984 ( -7.639 -2.287 -4.887) 9.353 5.984 ( -7.639 -2.287 4.887) 9.353 7.638 ( 4.020 1.774 -5.835) 7.304 7.638 ( 4.020 1.774 5.835) 7.304 8.735 ( -4.712 -6.141 -7.234) 10.594 8.735 ( -4.712 -6.141 7.234) 10.594 9.525 ( -11.375 -2.860 -1.718) 11.854 9.525 ( -11.375 -2.860 1.718) 11.854 9.913 ( -9.547 -0.088 -10.365) 14.092 9.913 ( -9.547 -0.088 10.365) 14.092 10.639 ( -7.149 -3.031 -4.231) 8.843 10.639 ( -7.149 -3.031 4.231) 8.843 10.867 ( 7.349 5.612 -8.239) 12.385 10.867 ( 7.349 5.612 8.239) 12.385 11.145 ( -1.763 -3.891 -9.000) 9.962 11.145 ( -1.763 -3.891 9.000) 9.962 11.693 ( 3.930 4.386 -8.630) 10.448 11.693 ( 3.930 4.386 8.630) 10.448 12.098 ( 11.813 -4.123 -13.008) 18.049 12.098 ( 11.813 -4.123 13.008) 18.049 13.297 ( 1.358 -0.549 -3.793) 4.066 13.297 ( 1.358 -0.549 3.793) 4.066 15.568 ( 0.199 0.855 -10.067) 10.105 15.568 ( 0.199 0.855 10.067) 10.105 16.916 ( 2.056 -1.146 -8.487) 8.808 16.916 ( 2.056 -1.146 8.487) 8.808======================= Grid point 612 (177/219) =======================q-point: (-0.50 0.12 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 386Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.366 ( -2.044 0.871 -0.353) 2.249 2.366 ( -2.044 0.871 0.353) 2.249 2.675 ( -1.530 1.113 -3.757) 4.207 2.675 ( -1.530 1.113 3.757) 4.207 3.096 ( -5.208 -1.329 -3.226) 6.269 3.096 ( -5.208 -1.329 3.226) 6.269 3.378 ( -5.037 -0.226 -4.239) 6.587 3.378 ( -5.037 -0.226 4.239) 6.587 3.783 ( -1.148 -8.416 -5.425) 10.079 3.783 ( -1.148 -8.416 5.425) 10.079 4.449 ( 3.712 5.013 -4.624) 7.764 4.449 ( 3.712 5.013 4.624) 7.764 4.767 ( -6.736 -8.834 -1.904) 11.271 4.767 ( -6.736 -8.834 1.904) 11.271 5.243 ( -4.638 12.652 -4.750) 14.289 5.243 ( -4.638 12.652 4.750) 14.289 5.764 ( -15.851 0.410 -5.514) 16.787 5.764 ( -15.851 0.410 5.514) 16.787 7.697 ( 3.559 3.298 -5.146) 7.073 7.697 ( 3.559 3.298 5.146) 7.073 8.720 ( -2.864 -11.906 -6.682) 13.950 8.720 ( -2.864 -11.906 6.682) 13.950 9.299 ( -14.103 -2.861 -4.478) 15.070 9.299 ( -14.103 -2.861 4.478) 15.070 9.731 ( -8.915 -0.928 -9.924) 13.373 9.731 ( -8.915 -0.928 9.924) 13.373 10.488 ( -11.502 -4.065 -6.033) 13.609 10.488 ( -11.502 -4.065 6.033) 13.609 10.839 ( -6.589 -0.727 -12.856) 14.464 10.839 ( -6.589 -0.727 12.856) 14.464 11.224 ( 8.663 4.224 -15.077) 17.894 11.224 ( 8.663 4.224 15.077) 17.894 11.859 ( 14.841 -0.257 -11.124) 18.549 11.859 ( 14.841 -0.257 11.124) 18.549 12.356 ( 12.191 -2.127 -17.706) 21.602 12.356 ( 12.191 -2.127 17.706) 21.602 13.355 ( 4.568 -0.736 -1.131) 4.763 13.355 ( 4.568 -0.736 1.131) 4.763 15.580 ( 0.868 -1.387 -8.524) 8.679 15.580 ( 0.868 -1.387 8.524) 8.679 16.978 ( 4.042 -0.691 -8.478) 9.418 16.978 ( 4.042 -0.691 8.478) 9.418======================= Grid point 614 (178/219) =======================q-point: (-0.44 0.12 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.278 ( -6.604 3.324 -2.175) 7.707 2.278 ( -6.604 3.324 2.175) 7.707 2.648 ( -1.221 -1.630 -3.848) 4.354 2.648 ( -1.221 -1.630 3.848) 4.354 2.971 ( -7.622 1.476 -3.065) 8.347 2.971 ( -7.622 1.476 3.065) 8.347 3.339 ( -1.617 -6.070 -2.337) 6.702 3.339 ( -1.617 -6.070 2.337) 6.702 3.736 ( -9.128 -7.579 -3.570) 12.390 3.736 ( -9.128 -7.579 3.570) 12.390 4.442 ( -4.986 1.898 -2.751) 6.003 4.442 ( -4.986 1.898 2.751) 6.003 4.635 ( -8.422 1.984 -2.489) 9.004 4.635 ( -8.422 1.984 2.489) 9.004 5.111 ( -3.661 7.616 -4.579) 9.611 5.111 ( -3.661 7.616 4.579) 9.611 5.438 ( -15.416 0.473 -5.846) 16.494 5.438 ( -15.416 0.473 5.846) 16.494 7.728 ( 1.757 3.520 -5.394) 6.676 7.728 ( 1.757 3.520 5.394) 6.676 8.715 ( -7.703 -14.559 -6.931) 17.870 8.715 ( -7.703 -14.559 6.931) 17.870 9.050 ( -12.446 0.579 -6.774) 14.182 9.050 ( -12.446 0.579 6.774) 14.182 9.627 ( -3.808 -5.829 -6.182) 9.311 9.627 ( -3.808 -5.829 6.182) 9.311 10.257 ( -14.289 -3.530 -6.453) 16.071 10.257 ( -14.289 -3.530 6.453) 16.071 10.708 ( -7.876 -3.721 -12.929) 15.590 10.708 ( -7.876 -3.721 12.929) 15.590 11.396 ( 12.674 6.519 -15.961) 21.398 11.396 ( 12.674 6.519 15.961) 21.398 12.182 ( 16.568 -2.116 -13.606) 21.542 12.182 ( 16.568 -2.116 13.606) 21.542 12.547 ( 7.152 -0.617 -20.664) 21.876 12.547 ( 7.152 -0.617 20.664) 21.876 13.485 ( 9.696 0.932 -3.731) 10.431 13.485 ( 9.696 0.932 3.731) 10.431 15.615 ( 1.250 -3.730 -6.227) 7.366 15.615 ( 1.250 -3.730 6.227) 7.366 17.079 ( 6.229 -0.892 -8.606) 10.661 17.079 ( 6.229 -0.892 8.606) 10.661======================= Grid point 616 (179/219) =======================q-point: (-0.38 0.12 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 386Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.078 ( -11.781 5.117 -5.509) 13.976 2.078 ( -11.781 5.117 5.509) 13.976 2.613 ( -4.629 2.170 -9.904) 11.145 2.613 ( -4.629 2.170 9.904) 11.145 2.832 ( -5.911 -1.780 -4.644) 7.725 2.832 ( -5.911 -1.780 4.644) 7.725 3.342 ( -5.495 -12.261 -3.129) 13.795 3.342 ( -5.495 -12.261 3.129) 13.795 3.554 ( -11.987 -5.212 -3.958) 13.657 3.554 ( -11.987 -5.212 3.958) 13.657 4.171 ( -19.978 1.274 -4.295) 20.474 4.171 ( -19.978 1.274 4.295) 20.474 4.408 ( -16.284 12.005 -9.271) 22.254 4.408 ( -16.284 12.005 9.271) 22.254 4.979 ( -3.467 4.568 -3.846) 6.905 4.979 ( -3.467 4.568 3.846) 6.905 5.336 ( 2.619 -4.216 -5.810) 7.642 5.336 ( 2.619 -4.216 5.810) 7.642 7.722 ( -0.675 2.188 -5.859) 6.290 7.722 ( -0.675 2.188 5.859) 6.290 8.552 ( -16.800 -10.960 -7.017) 21.251 8.552 ( -16.800 -10.960 7.017) 21.251 8.837 ( -10.698 0.689 -7.646) 13.167 8.837 ( -10.698 0.689 7.646) 13.167 9.599 ( -5.841 -5.793 -0.859) 8.271 9.599 ( -5.841 -5.793 0.859) 8.271 10.077 ( -5.770 -7.765 -6.084) 11.428 10.077 ( -5.770 -7.765 6.084) 11.428 10.605 ( -4.735 -4.477 -12.640) 14.221 10.605 ( -4.735 -4.477 12.640) 14.221 11.606 ( 13.372 7.424 -13.329) 20.288 11.606 ( 13.372 7.424 13.329) 20.288 12.390 ( 2.373 0.349 -12.748) 12.972 12.390 ( 2.373 0.349 12.748) 12.972 12.696 ( 10.500 -1.718 -16.007) 19.221 12.696 ( 10.500 -1.718 16.007) 19.221 13.711 ( 15.295 3.170 -7.107) 17.161 13.711 ( 15.295 3.170 7.107) 17.161 15.666 ( 1.297 -5.215 -5.491) 7.683 15.666 ( 1.297 -5.215 5.491) 7.683 17.223 ( 8.429 -1.624 -8.810) 12.300 17.223 ( 8.429 -1.624 8.810) 12.300======================= Grid point 618 (180/219) =======================q-point: (-0.31 0.12 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.797 ( -14.389 5.171 -10.017) 18.279 1.797 ( -14.389 5.171 10.017) 18.279 2.403 ( -14.066 8.426 -13.666) 21.345 2.403 ( -14.066 8.426 13.666) 21.345 2.742 ( -8.825 -4.931 -6.392) 11.961 2.742 ( -8.825 -4.931 6.392) 11.961 3.230 ( -10.902 -13.566 -6.592) 18.610 3.230 ( -10.902 -13.566 6.592) 18.610 3.405 ( -10.692 -4.407 -1.523) 11.664 3.405 ( -10.692 -4.407 1.523) 11.664 3.812 ( -15.235 -2.655 -0.337) 15.468 3.812 ( -15.235 -2.655 0.337) 15.468 3.901 ( -25.541 15.139 -13.355) 32.556 3.901 ( -25.541 15.139 13.355) 32.556 4.961 ( 3.395 7.563 -2.034) 8.536 4.961 ( 3.395 7.563 2.034) 8.536 5.479 ( 7.218 -8.384 -6.520) 12.841 5.479 ( 7.218 -8.384 6.520) 12.841 7.662 ( -6.272 -0.242 -4.999) 8.024 7.662 ( -6.272 -0.242 4.999) 8.024 8.251 ( -19.798 -6.350 -7.532) 22.113 8.251 ( -19.798 -6.350 7.532) 22.113 8.602 ( -14.849 -1.938 -6.317) 16.253 8.602 ( -14.849 -1.938 6.317) 16.253 9.461 ( -7.780 2.518 -3.084) 8.740 9.461 ( -7.780 2.518 3.084) 8.740 10.080 ( -4.441 -14.461 -5.156) 15.983 10.080 ( -4.441 -14.461 5.156) 15.983 10.641 ( 7.144 -4.641 -12.416) 15.058 10.641 ( 7.144 -4.641 12.416) 15.058 11.788 ( 9.876 7.739 -12.020) 17.376 11.788 ( 9.876 7.739 12.020) 17.376 12.339 ( -3.431 2.904 -18.747) 19.278 12.339 ( -3.431 2.904 18.747) 19.278 12.911 ( 9.471 -1.360 -9.354) 13.381 12.911 ( 9.471 -1.360 9.354) 13.381 13.996 ( 16.286 4.014 -6.846) 18.116 13.996 ( 16.286 4.014 6.846) 18.116 15.717 ( 0.733 -5.370 -4.323) 6.933 15.717 ( 0.733 -5.370 4.323) 6.933 17.412 ( 10.313 -2.592 -8.766) 13.781 17.412 ( 10.313 -2.592 8.766) 13.781======================= Grid point 620 (181/219) =======================q-point: (-0.25 0.12 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 386Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.505 ( -13.146 4.237 -15.733) 20.936 1.505 ( -13.146 4.237 15.733) 20.936 1.991 ( -25.442 5.561 -10.443) 28.059 1.991 ( -25.442 5.561 10.443) 28.059 2.541 ( -11.114 2.134 -6.447) 13.025 2.541 ( -11.114 2.134 6.447) 13.025 3.034 ( -18.680 -0.039 -5.628) 19.510 3.034 ( -18.680 -0.039 5.628) 19.510 3.236 ( -13.112 -5.854 -11.235) 18.233 3.236 ( -13.112 -5.854 11.235) 18.233 3.320 ( -16.026 7.036 -12.400) 21.450 3.320 ( -16.026 7.036 12.400) 21.450 3.754 ( -0.437 -9.888 -1.862) 10.071 3.754 ( -0.437 -9.888 1.862) 10.071 4.980 ( 3.667 10.472 -4.522) 11.981 4.980 ( 3.667 10.472 4.522) 11.981 5.668 ( 6.702 -10.034 -6.820) 13.860 5.668 ( 6.702 -10.034 6.820) 13.860 7.404 ( -25.318 -4.246 -1.911) 25.742 7.404 ( -25.318 -4.246 1.911) 25.742 7.931 ( -14.679 -1.493 -7.086) 16.368 7.931 ( -14.679 -1.493 7.086) 16.368 8.340 ( -12.891 -1.920 -3.045) 13.385 8.340 ( -12.891 -1.920 3.045) 13.385 9.301 ( -4.756 14.345 -9.734) 17.976 9.301 ( -4.756 14.345 9.734) 17.976 10.066 ( -5.283 -19.286 -8.613) 21.772 10.066 ( -5.283 -19.286 8.613) 21.772 10.886 ( 13.416 -5.806 -9.160) 17.251 10.886 ( 13.416 -5.806 9.160) 17.251 11.868 ( 2.896 5.997 -14.821) 16.249 11.868 ( 2.896 5.997 14.821) 16.249 12.318 ( 4.896 4.859 -13.109) 14.813 12.318 ( 4.896 4.859 13.109) 14.813 13.032 ( 2.726 0.654 -4.449) 5.258 13.032 ( 2.726 0.654 4.449) 5.258 14.241 ( 11.254 3.257 -3.252) 12.159 14.241 ( 11.254 3.257 3.252) 12.159 15.751 ( -0.071 -4.170 -1.728) 4.515 15.751 ( -0.071 -4.170 1.728) 4.515 17.635 ( 11.254 -4.194 -7.945) 14.400 17.635 ( 11.254 -4.194 7.945) 14.400======================= Grid point 622 (182/219) =======================q-point: (-0.19 0.12 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.284 ( -8.178 2.852 -20.236) 22.012 1.284 ( -8.178 2.852 20.236) 22.012 1.448 ( -25.615 4.487 -11.943) 28.616 1.448 ( -25.615 4.487 11.943) 28.616 2.365 ( -5.112 3.632 -7.960) 10.133 2.365 ( -5.112 3.632 7.960) 10.133 2.699 ( -13.320 6.037 -10.455) 17.977 2.699 ( -13.320 6.037 10.455) 17.977 2.774 ( -17.796 12.642 -12.581) 25.196 2.774 ( -17.796 12.642 12.581) 25.196 3.351 ( 1.326 -13.166 -12.323) 18.082 3.351 ( 1.326 -13.166 12.323) 18.082 3.839 ( 1.288 -14.436 -2.833) 14.767 3.839 ( 1.288 -14.436 2.833) 14.767 4.973 ( 2.333 11.824 -6.191) 13.549 4.973 ( 2.333 11.824 6.191) 13.549 5.830 ( 4.473 -9.491 -7.249) 12.753 5.830 ( 4.473 -9.491 7.249) 12.753 6.787 ( -36.988 0.455 -0.939) 37.003 6.787 ( -36.988 0.455 0.939) 37.003 7.738 ( -6.898 -0.085 -4.858) 8.437 7.738 ( -6.898 -0.085 4.858) 8.437 8.160 ( -6.125 3.457 -4.573) 8.389 8.160 ( -6.125 3.457 4.573) 8.389 9.112 ( -3.340 23.314 -14.161) 27.482 9.112 ( -3.340 23.314 14.161) 27.482 10.135 ( -0.655 -22.432 -11.591) 25.258 10.135 ( -0.655 -22.432 11.591) 25.258 11.137 ( 8.164 -6.935 -2.815) 11.076 11.137 ( 8.164 -6.935 2.815) 11.076 11.862 ( 0.329 3.393 -15.633) 16.000 11.862 ( 0.329 3.393 15.633) 16.000 12.475 ( 14.126 4.913 -2.290) 15.130 12.475 ( 14.126 4.913 2.290) 15.130 12.993 ( -6.146 2.328 -1.453) 6.731 12.993 ( -6.146 2.328 1.453) 6.731 14.370 ( 4.192 1.526 -2.073) 4.919 14.370 ( 4.192 1.526 2.073) 4.919 15.762 ( -0.478 -1.928 -8.333) 8.566 15.762 ( -0.478 -1.928 8.333) 8.566 17.864 ( 8.940 -6.895 -6.069) 12.817 17.864 ( 8.940 -6.895 6.069) 12.817======================= Grid point 624 (183/219) =======================q-point: (-0.12 0.12 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 209Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.084 ( -0.000 7.902 -14.016) 16.090 1.084 ( -0.000 7.902 14.016) 16.090 1.246 ( 0.000 -2.321 -26.298) 26.400 1.246 ( 0.000 -2.321 26.298) 26.400 2.323 ( 0.000 -0.916 -3.462) 3.581 2.323 ( 0.000 -0.916 3.462) 3.581 2.453 ( -0.000 21.846 -34.189) 40.573 2.453 ( -0.000 21.846 34.189) 40.573 2.578 ( -0.000 1.187 -1.526) 1.934 2.578 ( -0.000 1.187 1.526) 1.934 3.446 ( 0.000 -12.649 -14.041) 18.899 3.446 ( 0.000 -12.649 14.041) 18.899 3.944 ( 0.000 -16.026 -3.141) 16.331 3.944 ( 0.000 -16.026 3.141) 16.331 4.930 ( -0.000 11.590 -6.798) 13.437 4.930 ( -0.000 11.590 6.798) 13.437 5.933 ( 0.000 -7.864 -7.936) 11.173 5.933 ( 0.000 -7.864 7.936) 11.173 6.310 ( -0.000 9.266 -3.547) 9.922 6.310 ( -0.000 9.266 3.547) 9.922 7.673 ( 0.000 -0.422 -3.213) 3.241 7.673 ( 0.000 -0.422 3.213) 3.241 8.063 ( -0.000 9.817 -5.734) 11.369 8.063 ( -0.000 9.817 5.734) 11.369 8.943 ( -0.000 22.230 -14.687) 26.643 8.943 ( -0.000 22.230 14.687) 26.643 10.260 ( 0.000 -20.919 -12.800) 24.525 10.260 ( 0.000 -20.919 12.800) 24.525 11.253 ( 0.000 -6.763 -0.953) 6.830 11.253 ( 0.000 -6.763 0.953) 6.830 11.852 ( -0.000 1.737 -14.227) 14.333 11.852 ( -0.000 1.737 14.227) 14.333 12.700 ( -0.000 1.959 -0.565) 2.039 12.700 ( -0.000 1.959 0.565) 2.039 12.817 ( -0.000 4.334 -3.552) 5.603 12.817 ( -0.000 4.334 3.552) 5.603 14.400 ( -0.000 0.383 -4.210) 4.227 14.400 ( -0.000 0.383 4.210) 4.227 15.761 ( 0.000 -0.357 -11.139) 11.145 15.761 ( 0.000 -0.357 11.139) 11.145 18.005 ( 0.000 -8.643 -4.913) 9.941 18.005 ( 0.000 -8.643 4.913) 9.941======================= Grid point 634 (184/219) =======================q-point: ( 0.19 0.19 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 208Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.239 ( 4.429 0.000 -1.873) 4.809 2.239 ( 4.429 0.000 1.873) 4.809 2.803 ( 5.904 0.000 -0.826) 5.961 2.803 ( 5.904 0.000 0.826) 5.961 3.117 ( 0.588 0.000 -1.949) 2.036 3.117 ( 0.588 0.000 1.949) 2.036 3.542 ( -4.181 -0.000 -1.895) 4.590 3.542 ( -4.181 -0.000 1.895) 4.590 4.008 ( 2.889 0.000 -5.898) 6.568 4.008 ( 2.889 0.000 5.898) 6.568 4.398 ( 10.659 0.000 -2.514) 10.951 4.398 ( 10.659 0.000 2.514) 10.951 4.533 ( -11.850 -0.000 -4.451) 12.659 4.533 ( -11.850 -0.000 4.451) 12.659 5.287 ( 20.511 0.000 -9.434) 22.577 5.287 ( 20.511 0.000 9.434) 22.577 5.546 ( 10.343 0.000 -2.629) 10.672 5.546 ( 10.343 0.000 2.629) 10.672 7.550 ( -2.088 -0.000 -8.584) 8.834 7.550 ( -2.088 -0.000 8.584) 8.834 9.030 ( 2.087 0.000 -3.714) 4.260 9.030 ( 2.087 0.000 3.714) 4.260 9.594 ( 11.907 0.000 -2.083) 12.088 9.594 ( 11.907 0.000 2.083) 12.088 9.992 ( 1.319 0.000 -10.414) 10.498 9.992 ( 1.319 0.000 10.414) 10.498 10.390 ( 2.300 0.000 -14.342) 14.525 10.390 ( 2.300 0.000 14.342) 14.525 10.877 ( 4.984 0.000 -0.005) 4.984 10.877 ( 4.984 0.000 0.005) 4.984 11.106 ( 2.247 0.000 -1.762) 2.856 11.106 ( 2.247 0.000 1.762) 2.856 12.013 ( -21.729 -0.000 -6.159) 22.585 12.013 ( -21.729 -0.000 6.159) 22.585 12.308 ( -8.711 -0.000 -9.475) 12.871 12.308 ( -8.711 -0.000 9.475) 12.871 13.381 ( -2.711 -0.000 -0.411) 2.742 13.381 ( -2.711 -0.000 0.411) 2.742 15.667 ( -2.214 -0.000 -8.408) 8.695 15.667 ( -2.214 -0.000 8.408) 8.695 16.994 ( -6.053 -0.000 -10.565) 12.176 16.994 ( -6.053 -0.000 10.565) 12.176======================= Grid point 636 (185/219) =======================q-point: ( 0.25 0.19 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.315 ( 3.332 -0.848 -0.454) 3.468 2.315 ( 3.332 -0.848 0.454) 3.468 2.815 ( -2.229 2.283 -1.444) 3.502 2.815 ( -2.229 2.283 1.444) 3.502 3.181 ( 4.400 -0.327 -1.733) 4.740 3.181 ( 4.400 -0.327 1.733) 4.740 3.478 ( -2.327 -0.760 -1.542) 2.894 3.478 ( -2.327 -0.760 1.542) 2.894 4.027 ( -3.182 1.513 -3.651) 5.074 4.027 ( -3.182 1.513 3.651) 5.074 4.304 ( -5.329 2.400 -2.291) 6.278 4.304 ( -5.329 2.400 2.291) 6.278 4.589 ( 4.965 -6.020 -3.834) 8.694 4.589 ( 4.965 -6.020 3.834) 8.694 5.547 ( 9.504 7.347 -9.629) 15.396 5.547 ( 9.504 7.347 9.629) 15.396 5.771 ( 10.741 -5.718 -0.767) 12.192 5.771 ( 10.741 -5.718 0.767) 12.192 7.536 ( 0.608 -0.454 -8.275) 8.310 7.536 ( 0.608 -0.454 8.275) 8.310 8.981 ( -6.503 0.497 -2.092) 6.849 8.981 ( -6.503 0.497 2.092) 6.849 9.755 ( 3.659 2.418 -3.157) 5.404 9.755 ( 3.659 2.418 3.157) 5.404 10.016 ( 1.976 0.303 -11.771) 11.940 10.016 ( 1.976 0.303 11.771) 11.940 10.419 ( 3.696 -2.524 -8.426) 9.541 10.419 ( 3.696 -2.524 8.426) 9.541 10.949 ( -1.163 1.856 -5.910) 6.303 10.949 ( -1.163 1.856 5.910) 6.303 11.214 ( 8.560 -0.324 -3.808) 9.375 11.214 ( 8.560 -0.324 3.808) 9.375 11.652 ( -13.651 0.053 -2.735) 13.923 11.652 ( -13.651 0.053 2.735) 13.923 12.129 ( -10.206 -0.296 -8.233) 13.116 12.129 ( -10.206 -0.296 8.233) 13.116 13.335 ( -2.238 0.199 -1.767) 2.859 13.335 ( -2.238 0.199 1.767) 2.859 15.631 ( -1.379 0.774 -8.183) 8.334 15.631 ( -1.379 0.774 8.183) 8.334 16.904 ( -3.410 -0.401 -9.685) 10.276 16.904 ( -3.410 -0.401 9.685) 10.276======================= Grid point 638 (186/219) =======================q-point: ( 0.31 0.19 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.371 ( 2.094 -0.561 -1.877) 2.868 2.371 ( 2.094 -0.561 1.877) 2.868 2.751 ( -2.487 1.996 -1.711) 3.619 2.751 ( -2.487 1.996 1.711) 3.619 3.225 ( 0.122 1.756 -0.891) 1.973 3.225 ( 0.122 1.756 0.891) 1.973 3.479 ( 0.611 -4.322 -2.670) 5.117 3.479 ( 0.611 -4.322 2.670) 5.117 3.850 ( -10.785 3.168 -0.806) 11.269 3.850 ( -10.785 3.168 0.806) 11.269 4.326 ( 5.715 1.173 -3.330) 6.717 4.326 ( 5.715 1.173 3.330) 6.717 4.672 ( 0.007 -7.316 -3.817) 8.252 4.672 ( 0.007 -7.316 3.817) 8.252 5.603 ( 2.498 10.184 -9.416) 14.093 5.603 ( 2.498 10.184 9.416) 14.093 5.946 ( 3.259 -6.104 -2.075) 7.224 5.946 ( 3.259 -6.104 2.075) 7.224 7.577 ( 3.437 -0.043 -6.991) 7.790 7.577 ( 3.437 -0.043 6.991) 7.790 8.823 ( -9.174 -0.457 -5.390) 10.650 8.823 ( -9.174 -0.457 5.390) 10.650 9.690 ( -7.935 0.820 -5.074) 9.454 9.690 ( -7.935 0.820 5.074) 9.454 10.022 ( -2.928 -1.384 -11.697) 12.137 10.022 ( -2.928 -1.384 11.697) 12.137 10.605 ( 12.436 -0.318 -2.493) 12.687 10.605 ( 12.436 -0.318 2.493) 12.687 10.845 ( -5.766 1.851 -7.769) 9.850 10.845 ( -5.766 1.851 7.769) 9.850 11.213 ( -8.023 -0.879 -0.981) 8.130 11.213 ( -8.023 -0.879 0.981) 8.130 11.658 ( 11.230 1.637 -12.611) 16.965 11.658 ( 11.230 1.637 12.611) 16.965 11.957 ( -7.069 -1.859 -4.670) 8.674 11.957 ( -7.069 -1.859 4.670) 8.674 13.298 ( -1.355 0.216 -3.192) 3.475 13.298 ( -1.355 0.216 3.192) 3.475 15.603 ( -0.943 1.495 -8.291) 8.477 15.603 ( -0.943 1.495 8.291) 8.477 16.875 ( -0.227 -1.078 -8.797) 8.866 16.875 ( -0.227 -1.078 8.797) 8.866======================= Grid point 640 (187/219) =======================q-point: (-0.62 0.19 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.394 ( 0.378 0.746 -2.874) 2.993 2.394 ( 0.378 0.746 2.874) 2.993 2.710 ( -1.415 0.092 -1.946) 2.408 2.710 ( -1.415 0.092 1.947) 2.408 3.177 ( -3.614 2.018 -1.677) 4.466 3.177 ( -3.614 2.018 1.677) 4.466 3.494 ( -3.489 -2.542 -3.071) 5.298 3.494 ( -3.489 -2.542 3.071) 5.298 3.687 ( -3.778 -1.497 -6.623) 7.770 3.687 ( -3.778 -1.497 6.623) 7.770 4.434 ( 6.154 3.391 -3.667) 7.926 4.434 ( 6.154 3.391 3.667) 7.926 4.686 ( -2.918 -8.806 -4.176) 10.173 4.686 ( -2.918 -8.806 4.176) 10.173 5.536 ( -2.952 11.174 -8.456) 14.320 5.536 ( -2.952 11.174 8.456) 14.320 5.947 ( -6.440 -4.131 -3.734) 8.513 5.947 ( -6.440 -4.130 3.734) 8.513 7.654 ( 4.787 1.104 -5.265) 7.201 7.654 ( 4.787 1.104 5.265) 7.201 8.675 ( -7.457 -4.171 -6.593) 10.792 8.675 ( -7.457 -4.171 6.593) 10.792 9.496 ( -12.491 -2.209 -0.418) 12.692 9.496 ( -12.491 -2.209 0.418) 12.692 9.917 ( -8.243 0.620 -9.930) 12.921 9.917 ( -8.243 0.620 9.930) 12.921 10.608 ( -8.792 -2.229 -2.718) 9.469 10.608 ( -8.792 -2.229 2.718) 9.469 10.929 ( 6.729 5.190 -9.492) 12.740 10.929 ( 6.729 5.190 9.491) 12.740 11.096 ( -0.439 -4.493 -9.053) 10.116 11.096 ( -0.439 -4.493 9.053) 10.116 11.753 ( 2.473 5.953 -7.542) 9.921 11.753 ( 2.473 5.953 7.542) 9.921 12.042 ( 12.564 -5.580 -13.905) 19.554 12.042 ( 12.564 -5.580 13.905) 19.554 13.292 ( 0.956 -0.325 -3.186) 3.343 13.292 ( 0.956 -0.325 3.186) 3.343 15.580 ( -0.703 1.068 -8.349) 8.447 15.580 ( -0.703 1.068 8.349) 8.447 16.903 ( 2.377 -1.102 -8.178) 8.587 16.903 ( 2.377 -1.102 8.178) 8.587======================= Grid point 642 (188/219) =======================q-point: (-0.56 0.19 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.378 ( -1.384 1.457 -2.196) 2.977 2.378 ( -1.384 1.457 2.196) 2.977 2.682 ( -2.099 -0.213 -2.397) 3.193 2.682 ( -2.099 -0.212 2.397) 3.193 3.081 ( -5.897 -1.031 -2.433) 6.462 3.081 ( -5.897 -1.031 2.433) 6.462 3.392 ( -5.184 2.461 -5.684) 8.077 3.392 ( -5.184 2.461 5.684) 8.077 3.693 ( -1.231 -7.086 -7.638) 10.491 3.693 ( -1.231 -7.086 7.638) 10.491 4.484 ( 0.012 0.844 -1.897) 2.076 4.484 ( 0.012 0.844 1.897) 2.076 4.687 ( -0.819 -4.567 -3.412) 5.759 4.687 ( -0.819 -4.567 3.412) 5.759 5.379 ( -6.494 10.830 -6.651) 14.272 5.379 ( -6.494 10.830 6.651) 14.272 5.757 ( -15.141 -1.622 -5.037) 16.039 5.757 ( -15.141 -1.622 5.037) 16.039 7.730 ( 3.964 2.397 -4.222) 6.267 7.730 ( 3.964 2.397 4.222) 6.267 8.598 ( -5.047 -9.185 -6.615) 12.393 8.598 ( -5.047 -9.185 6.615) 12.393 9.266 ( -13.077 -2.830 -5.211) 14.358 9.266 ( -13.077 -2.830 5.211) 14.358 9.732 ( -10.026 0.854 -8.537) 13.196 9.732 ( -10.026 0.854 8.537) 13.196 10.442 ( -11.194 -3.717 -3.808) 12.394 10.442 ( -11.194 -3.717 3.808) 12.394 10.827 ( -9.418 -1.158 -12.844) 15.969 10.827 ( -9.418 -1.158 12.844) 15.969 11.266 ( 11.213 3.027 -16.780) 20.408 11.266 ( 11.213 3.027 16.780) 20.408 11.871 ( 13.272 2.115 -10.252) 16.903 11.871 ( 13.272 2.115 10.252) 16.903 12.323 ( 13.019 -3.418 -18.616) 22.973 12.323 ( 13.019 -3.418 18.616) 22.973 13.347 ( 4.932 -0.632 -1.123) 5.098 13.347 ( 4.932 -0.632 1.123) 5.098 15.567 ( -0.526 -0.844 -7.228) 7.296 15.567 ( -0.526 -0.844 7.228) 7.296 16.971 ( 4.256 -0.636 -7.775) 8.886 16.971 ( 4.256 -0.636 7.775) 8.886======================= Grid point 644 (189/219) =======================q-point: (-0.50 0.19 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.314 ( -4.823 2.962 -1.029) 5.753 2.314 ( -4.823 2.962 1.029) 5.753 2.630 ( -3.314 -1.288 -2.635) 4.426 2.630 ( -3.314 -1.288 2.635) 4.426 2.977 ( -5.872 -1.062 -2.434) 6.445 2.977 ( -5.872 -1.062 2.434) 6.445 3.298 ( -4.595 -0.875 -4.593) 6.556 3.298 ( -4.595 -0.875 4.593) 6.556 3.656 ( -7.455 -6.221 -6.259) 11.553 3.656 ( -7.455 -6.221 6.259) 11.553 4.423 ( -8.346 -4.156 -4.009) 10.148 4.423 ( -8.346 -4.156 4.009) 10.148 4.681 ( -0.513 5.068 -3.626) 6.252 4.681 ( -0.513 5.068 3.626) 6.252 5.198 ( -7.005 7.457 -5.111) 11.437 5.198 ( -7.005 7.457 5.111) 11.437 5.438 ( -16.727 -0.499 -6.331) 17.892 5.438 ( -16.727 -0.499 6.331) 17.892 7.766 ( 1.390 3.048 -4.485) 5.598 7.766 ( 1.390 3.048 4.485) 5.598 8.558 ( -7.275 -12.462 -7.066) 16.067 8.558 ( -7.275 -12.462 7.066) 16.067 9.053 ( -10.445 -0.242 -7.677) 12.965 9.053 ( -10.445 -0.242 7.677) 12.965 9.573 ( -6.616 -3.505 -5.748) 9.439 9.573 ( -6.616 -3.505 5.748) 9.439 10.215 ( -14.711 -3.595 -4.088) 15.686 10.215 ( -14.711 -3.595 4.088) 15.686 10.669 ( -8.278 -3.081 -13.565) 16.188 10.669 ( -8.278 -3.081 13.565) 16.188 11.462 ( 12.689 4.949 -17.794) 22.408 11.462 ( 12.689 4.949 17.794) 22.408 12.168 ( 16.636 -0.367 -13.058) 21.152 12.168 ( 16.636 -0.367 13.058) 21.152 12.534 ( 7.698 -1.476 -20.834) 22.260 12.534 ( 7.698 -1.476 20.834) 22.260 13.495 ( 11.132 0.807 -3.522) 11.704 13.495 ( 11.132 0.807 3.522) 11.704 15.572 ( -0.220 -3.603 -4.964) 6.138 15.572 ( -0.220 -3.603 4.964) 6.138 17.070 ( 6.087 -0.550 -7.487) 9.665 17.070 ( 6.087 -0.550 7.487) 9.665======================= Grid point 646 (190/219) =======================q-point: (-0.44 0.19 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.144 ( -10.400 6.186 -3.356) 12.557 2.144 ( -10.400 6.186 3.356) 12.557 2.588 ( -3.610 -4.547 -2.466) 6.308 2.588 ( -3.610 -4.547 2.466) 6.308 2.858 ( -6.148 3.947 -5.198) 8.966 2.858 ( -6.148 3.947 5.198) 8.966 3.210 ( -8.992 -10.189 -2.417) 13.803 3.210 ( -8.992 -10.189 2.417) 13.803 3.502 ( -10.407 -3.663 -6.343) 12.726 3.502 ( -10.407 -3.663 6.343) 12.726 4.178 ( -18.627 -0.086 -4.664) 19.202 4.178 ( -18.627 -0.086 4.664) 19.202 4.539 ( -13.829 10.701 -8.394) 19.396 4.539 ( -13.829 10.701 8.394) 19.396 5.017 ( -4.782 2.103 -5.098) 7.299 5.017 ( -4.782 2.103 5.098) 7.299 5.294 ( 0.013 -2.964 -5.389) 6.151 5.294 ( 0.013 -2.964 5.389) 6.151 7.747 ( -1.768 2.153 -5.191) 5.892 7.747 ( -1.768 2.153 5.191) 5.892 8.424 ( -14.100 -10.837 -8.034) 19.514 8.424 ( -14.100 -10.837 8.034) 19.514 8.859 ( -10.650 2.558 -7.111) 13.059 8.859 ( -10.650 2.558 7.111) 13.059 9.523 ( -3.669 -7.125 -0.972) 8.073 9.523 ( -3.669 -7.125 0.972) 8.073 9.990 ( -10.420 -7.317 -4.850) 13.625 9.990 ( -10.420 -7.317 4.850) 13.625 10.564 ( -4.067 -2.797 -13.010) 13.915 10.564 ( -4.067 -2.797 13.010) 13.915 11.681 ( 13.386 5.700 -14.033) 20.214 11.681 ( 13.386 5.700 14.033) 20.214 12.392 ( 4.286 0.116 -9.815) 10.711 12.392 ( 4.286 0.116 9.815) 10.711 12.682 ( 10.124 -0.685 -14.945) 18.064 12.682 ( 10.124 -0.685 14.945) 18.064 13.749 ( 16.538 3.338 -7.561) 18.488 13.749 ( 16.538 3.338 7.561) 18.488 15.601 ( 0.294 -5.974 -4.145) 7.277 15.601 ( 0.294 -5.974 4.145) 7.277 17.208 ( 8.071 -1.116 -7.459) 11.046 17.208 ( 8.071 -1.116 7.459) 11.046======================= Grid point 648 (191/219) =======================q-point: (-0.38 0.19 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.875 ( -13.256 8.065 -6.697) 16.901 1.875 ( -13.256 8.065 6.697) 16.901 2.452 ( -15.073 0.235 -7.182) 16.698 2.452 ( -15.073 0.235 7.182) 16.698 2.728 ( -5.364 2.059 -5.155) 7.719 2.728 ( -5.364 2.059 5.155) 7.719 3.071 ( -11.198 -13.689 -5.284) 18.458 3.071 ( -11.198 -13.689 5.284) 18.458 3.348 ( -10.034 -5.301 -2.593) 11.641 3.348 ( -10.034 -5.301 2.593) 11.641 3.795 ( -20.021 -0.469 -1.261) 20.066 3.795 ( -20.021 -0.469 1.261) 20.066 4.076 ( -22.974 15.498 -13.336) 30.755 4.076 ( -22.974 15.498 13.336) 30.755 5.029 ( 4.603 3.738 -3.185) 6.731 5.029 ( 4.603 3.738 3.185) 6.731 5.383 ( 4.882 -8.026 -6.013) 11.154 5.383 ( 4.882 -8.026 6.013) 11.154 7.661 ( -7.834 0.160 -4.067) 8.829 7.661 ( -7.834 0.160 4.067) 8.829 8.176 ( -16.747 -6.542 -8.123) 19.729 8.176 ( -16.747 -6.542 8.123) 19.729 8.596 ( -16.074 0.639 -5.107) 16.878 8.596 ( -16.074 0.639 5.107) 16.878 9.468 ( -3.653 -1.010 -1.316) 4.012 9.468 ( -3.653 -1.010 1.316) 4.012 9.919 ( -6.159 -13.597 -4.673) 15.641 9.919 ( -6.159 -13.597 4.673) 15.641 10.592 ( 6.201 -3.672 -12.720) 14.619 10.592 ( 6.201 -3.672 12.720) 14.619 11.870 ( 9.642 6.672 -11.330) 16.305 11.870 ( 9.642 6.672 11.330) 16.305 12.372 ( -2.153 2.780 -17.478) 17.828 12.372 ( -2.153 2.780 17.478) 17.828 12.899 ( 10.430 -0.712 -8.686) 13.592 12.899 ( 10.430 -0.712 8.686) 13.592 14.046 ( 16.531 4.594 -7.410) 18.689 14.046 ( 16.531 4.594 7.410) 18.689 15.647 ( 0.576 -6.722 -3.459) 7.582 15.647 ( 0.576 -6.722 3.459) 7.582 17.385 ( 9.744 -2.094 -7.539) 12.496 17.385 ( 9.744 -2.094 7.539) 12.496======================= Grid point 650 (192/219) =======================q-point: (-0.31 0.19 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.581 ( -12.152 8.800 -10.979) 18.591 1.581 ( -12.152 8.800 10.979) 18.591 2.034 ( -26.718 2.455 -6.363) 27.574 2.034 ( -26.718 2.455 6.363) 27.574 2.581 ( -8.723 4.289 -5.234) 11.040 2.581 ( -8.723 4.289 5.234) 11.040 2.986 ( -9.602 -10.276 -7.056) 15.735 2.986 ( -9.602 -10.276 7.056) 15.735 3.130 ( -12.704 -6.205 -8.343) 16.416 3.130 ( -12.704 -6.205 8.343) 16.416 3.420 ( -21.487 3.028 -3.553) 21.988 3.420 ( -21.487 3.028 3.553) 21.988 3.713 ( -4.947 5.753 -12.682) 14.778 3.713 ( -4.947 5.753 12.682) 14.778 5.086 ( 4.441 7.732 -3.155) 9.458 5.086 ( 4.441 7.732 3.155) 9.458 5.541 ( 5.401 -11.840 -5.861) 14.272 5.541 ( 5.401 -11.840 5.861) 14.272 7.376 ( -24.171 -0.708 -0.546) 24.188 7.376 ( -24.171 -0.708 0.546) 24.188 7.918 ( -12.146 -1.089 -7.289) 14.207 7.918 ( -12.146 -1.089 7.289) 14.207 8.309 ( -13.336 -3.305 -2.294) 13.929 8.309 ( -13.336 -3.305 2.294) 13.929 9.429 ( 0.702 7.124 -5.464) 9.006 9.429 ( 0.702 7.124 5.464) 9.006 9.865 ( -7.108 -14.932 -6.962) 17.943 9.865 ( -7.108 -14.932 6.962) 17.943 10.812 ( 11.937 -6.874 -9.295) 16.617 10.812 ( 11.937 -6.874 9.295) 16.617 11.941 ( 2.101 6.771 -16.172) 17.658 11.941 ( 2.101 6.771 16.172) 17.658 12.373 ( 5.768 4.732 -13.200) 15.163 12.373 ( 5.768 4.732 13.200) 15.163 13.039 ( 3.842 0.601 -4.919) 6.270 13.039 ( 3.842 0.601 4.919) 6.270 14.282 ( 10.559 3.893 -2.998) 11.646 14.282 ( 10.559 3.893 2.998) 11.646 15.695 ( 0.708 -5.525 -2.581) 6.139 15.695 ( 0.708 -5.525 2.581) 6.139 17.590 ( 10.176 -3.597 -7.249) 13.001 17.590 ( 10.176 -3.597 7.249) 13.001======================= Grid point 652 (193/219) =======================q-point: (-0.25 0.19 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.347 ( -7.054 8.152 -15.534) 18.908 1.347 ( -7.054 8.152 15.534) 18.908 1.503 ( -24.760 5.033 -7.573) 26.377 1.503 ( -24.760 5.033 7.573) 26.377 2.394 ( -7.836 1.907 -4.645) 9.307 2.394 ( -7.836 1.907 4.645) 9.307 2.735 ( -13.029 1.972 -3.625) 13.667 2.735 ( -13.029 1.972 3.625) 13.667 2.936 ( -12.821 9.572 -6.011) 17.092 2.936 ( -12.821 9.572 6.011) 17.092 3.203 ( -0.931 -9.915 -2.128) 10.183 3.203 ( -0.931 -9.915 2.128) 10.183 3.702 ( 0.247 -8.315 -3.809) 9.150 3.702 ( 0.247 -8.315 3.809) 9.150 5.100 ( 2.486 10.175 -4.899) 11.563 5.100 ( 2.486 10.175 4.899) 11.563 5.703 ( 3.969 -12.761 -6.001) 14.650 5.703 ( 3.969 -12.761 6.001) 14.650 6.823 ( -29.172 5.572 -2.089) 29.773 6.823 ( -29.172 5.572 2.089) 29.773 7.737 ( -7.252 -0.106 -5.032) 8.827 7.737 ( -7.252 -0.106 5.032) 8.827 8.160 ( -5.090 -2.822 -3.795) 6.948 8.160 ( -5.090 -2.822 3.795) 6.948 9.365 ( -0.249 18.746 -11.385) 21.933 9.365 ( -0.249 18.746 11.385) 21.933 9.881 ( -1.601 -20.308 -10.759) 23.038 9.881 ( -1.601 -20.308 10.759) 23.038 11.047 ( 7.215 -8.539 -2.786) 11.520 11.047 ( 7.215 -8.539 2.786) 11.520 11.914 ( -0.185 5.688 -18.499) 19.354 11.914 ( -0.185 5.688 18.499) 19.354 12.530 ( 13.116 4.720 -2.888) 14.235 12.530 ( 13.116 4.720 2.888) 14.235 13.020 ( -5.146 2.314 -1.902) 5.954 13.020 ( -5.146 2.314 1.902) 5.954 14.391 ( 3.357 2.167 -2.851) 4.908 14.391 ( 3.357 2.167 2.851) 4.908 15.733 ( 0.598 -3.154 -9.881) 10.390 15.733 ( 0.598 -3.154 9.881) 10.390 17.790 ( 7.498 -5.947 -6.485) 11.560 17.790 ( 7.498 -5.947 6.485) 11.560======================= Grid point 654 (194/219) =======================q-point: (-0.19 0.19 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 208Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.181 ( -0.000 8.701 -10.322) 13.500 1.181 ( -0.000 8.701 10.322) 13.500 1.255 ( -0.000 4.198 -20.491) 20.917 1.255 ( -0.000 4.198 20.491) 20.917 2.313 ( 0.000 -0.868 -3.428) 3.536 2.313 ( 0.000 -0.868 3.428) 3.536 2.592 ( -0.000 1.362 -1.919) 2.353 2.592 ( -0.000 1.362 1.919) 2.353 2.709 ( -0.000 21.531 -22.950) 31.469 2.709 ( -0.000 21.531 22.950) 31.469 3.283 ( 0.000 -15.046 -10.066) 18.103 3.283 ( 0.000 -15.046 10.066) 18.103 3.772 ( 0.000 -13.225 -2.686) 13.495 3.772 ( 0.000 -13.225 2.686) 13.495 5.063 ( -0.000 11.226 -5.882) 12.673 5.063 ( -0.000 11.226 5.882) 12.673 5.819 ( 0.000 -11.990 -6.688) 13.729 5.819 ( 0.000 -11.990 6.688) 13.729 6.435 ( -0.000 12.313 -3.608) 12.831 6.435 ( -0.000 12.313 3.608) 12.831 7.668 ( 0.000 -0.563 -3.240) 3.288 7.668 ( 0.000 -0.563 3.240) 3.288 8.121 ( -0.000 0.777 -4.397) 4.465 8.121 ( -0.000 0.777 4.397) 4.465 9.228 ( -0.000 25.219 -13.997) 28.843 9.228 ( -0.000 25.219 13.997) 28.843 10.000 ( 0.000 -23.301 -11.912) 26.169 10.000 ( 0.000 -23.301 11.912) 26.169 11.164 ( 0.000 -8.652 -0.966) 8.706 11.164 ( 0.000 -8.652 0.966) 8.706 11.884 ( -0.000 4.053 -17.439) 17.904 11.884 ( -0.000 4.053 17.439) 17.904 12.724 ( -0.000 2.163 -0.572) 2.238 12.724 ( -0.000 2.163 0.572) 2.238 12.870 ( -0.000 4.795 -2.105) 5.237 12.870 ( -0.000 4.795 2.105) 5.237 14.409 ( -0.000 1.138 -5.128) 5.253 14.409 ( -0.000 1.138 5.128) 5.253 15.751 ( 0.000 -1.525 -13.202) 13.290 15.751 ( 0.000 -1.525 13.202) 13.290 17.908 ( 0.000 -7.958 -5.954) 9.939 17.908 ( 0.000 -7.958 5.954) 9.939======================= Grid point 668 (195/219) =======================q-point: ( 0.25 0.25 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 209Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.368 ( 2.487 0.000 -1.882) 3.119 2.368 ( 2.487 0.000 1.882) 3.119 2.763 ( -3.278 -0.000 -1.210) 3.494 2.763 ( -3.278 -0.000 1.210) 3.494 3.237 ( 0.862 0.000 -1.407) 1.650 3.237 ( 0.862 0.000 1.407) 1.650 3.451 ( -0.096 -0.000 -1.526) 1.529 3.451 ( -0.096 -0.000 1.526) 1.529 3.870 ( -11.412 -0.000 -0.057) 11.413 3.870 ( -11.412 -0.000 0.057) 11.413 4.333 ( 6.110 0.000 -2.807) 6.724 4.333 ( 6.110 0.000 2.807) 6.724 4.629 ( 0.452 0.000 -4.586) 4.608 4.629 ( 0.452 0.000 4.586) 4.608 5.671 ( 1.901 0.000 -12.318) 12.464 5.671 ( 1.901 0.000 12.318) 12.464 5.901 ( 4.097 0.000 -0.706) 4.158 5.901 ( 4.097 0.000 0.706) 4.158 7.577 ( 3.708 0.000 -6.957) 7.883 7.577 ( 3.708 0.000 6.957) 7.883 8.820 ( -9.864 -0.000 -4.832) 10.984 8.820 ( -9.864 -0.000 4.832) 10.984 9.695 ( -9.218 -0.000 -4.613) 10.308 9.695 ( -9.218 -0.000 4.613) 10.308 10.014 ( -2.308 -0.000 -11.822) 12.045 10.014 ( -2.308 -0.000 11.822) 12.045 10.603 ( 12.961 0.000 -2.164) 13.140 10.603 ( 12.961 0.000 2.164) 13.140 10.856 ( -6.113 -0.000 -7.998) 10.067 10.856 ( -6.113 -0.000 7.998) 10.067 11.207 ( -8.678 -0.000 -1.217) 8.763 11.207 ( -8.678 -0.000 1.217) 8.763 11.668 ( 13.255 0.000 -13.257) 18.747 11.668 ( 13.255 0.000 13.257) 18.747 11.945 ( -8.674 -0.000 -3.252) 9.263 11.945 ( -8.674 -0.000 3.252) 9.263 13.299 ( -1.463 -0.000 -2.616) 2.998 13.299 ( -1.463 -0.000 2.616) 2.998 15.612 ( -1.027 -0.000 -7.452) 7.522 15.612 ( -1.027 -0.000 7.452) 7.522 16.868 ( -0.238 -0.000 -8.794) 8.797 16.868 ( -0.238 -0.000 8.794) 8.797======================= Grid point 670 (196/219) =======================q-point: (-0.69 0.25 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.402 ( 1.077 0.430 -3.852) 4.023 2.402 ( 1.077 0.430 3.852) 4.023 2.708 ( -2.532 -0.234 -1.165) 2.797 2.708 ( -2.532 -0.234 1.165) 2.797 3.200 ( -4.273 1.460 -0.251) 4.523 3.200 ( -4.273 1.460 0.251) 4.523 3.463 ( -0.285 -2.006 -4.926) 5.327 3.463 ( -0.285 -2.006 4.926) 5.327 3.683 ( -7.026 0.214 -5.565) 8.965 3.683 ( -7.026 0.214 5.565) 8.965 4.464 ( 6.575 1.543 -1.914) 7.020 4.464 ( 6.575 1.543 1.914) 7.020 4.612 ( -2.271 -3.627 -6.032) 7.395 4.612 ( -2.271 -3.627 6.032) 7.395 5.635 ( -3.736 5.328 -11.260) 13.005 5.635 ( -3.736 5.328 11.260) 13.005 5.901 ( -5.384 -2.947 -1.409) 6.297 5.901 ( -5.384 -2.947 1.410) 6.297 7.663 ( 5.169 0.366 -4.921) 7.146 7.663 ( 5.169 0.366 4.921) 7.146 8.642 ( -8.879 -1.460 -6.105) 10.874 8.642 ( -8.879 -1.460 6.105) 10.874 9.478 ( -13.130 -0.843 -0.753) 13.178 9.478 ( -13.130 -0.843 0.753) 13.178 9.923 ( -7.365 0.344 -9.613) 12.115 9.923 ( -7.365 0.344 9.613) 12.115 10.591 ( -9.769 -0.801 -2.103) 10.025 10.591 ( -9.769 -0.801 2.103) 10.025 10.986 ( 7.277 4.626 -9.814) 13.064 10.986 ( 7.277 4.626 9.814) 13.064 11.044 ( -0.845 -4.488 -8.540) 9.685 11.044 ( -0.845 -4.488 8.540) 9.685 11.817 ( -0.174 4.264 -4.946) 6.533 11.817 ( -0.174 4.264 4.946) 6.533 11.981 ( 15.014 -4.094 -16.202) 22.465 11.981 ( 15.014 -4.094 16.202) 22.465 13.289 ( 0.710 -0.106 -2.671) 2.766 13.289 ( 0.710 -0.106 2.671) 2.766 15.590 ( -1.291 0.473 -6.791) 6.928 15.590 ( -1.291 0.473 6.791) 6.928 16.893 ( 2.636 -0.454 -7.957) 8.395 16.893 ( 2.636 -0.454 7.957) 8.395======================= Grid point 672 (197/219) =======================q-point: (-0.62 0.25 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 386Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.397 ( -0.937 1.661 -4.754) 5.122 2.397 ( -0.937 1.661 4.754) 5.122 2.670 ( -2.366 -1.528 -1.264) 3.087 2.670 ( -2.366 -1.528 1.264) 3.087 3.076 ( -7.561 0.151 -1.255) 7.666 3.076 ( -7.561 0.151 1.255) 7.666 3.423 ( -3.695 2.437 -6.184) 7.605 3.423 ( -3.695 2.437 6.184) 7.605 3.626 ( -1.705 -4.389 -9.482) 10.587 3.626 ( -1.705 -4.389 9.482) 10.587 4.472 ( -4.858 -2.027 -2.305) 5.746 4.472 ( -4.858 -2.027 2.305) 5.746 4.663 ( 5.287 -0.422 -4.844) 7.183 4.663 ( 5.287 -0.422 4.844) 7.183 5.485 ( -7.882 7.435 -8.778) 13.945 5.485 ( -7.882 7.435 8.778) 13.945 5.730 ( -14.332 -2.690 -3.596) 15.019 5.730 ( -14.332 -2.690 3.596) 15.019 7.751 ( 4.265 1.206 -3.538) 5.672 7.751 ( 4.265 1.206 3.538) 5.672 8.517 ( -6.430 -4.855 -6.491) 10.347 8.517 ( -6.430 -4.855 6.491) 10.347 9.239 ( -12.641 -1.854 -5.877) 14.063 9.239 ( -12.641 -1.854 5.877) 14.063 9.744 ( -10.645 1.027 -7.313) 12.956 9.744 ( -10.645 1.027 7.313) 12.956 10.407 ( -10.929 -2.198 -2.385) 11.401 10.407 ( -10.929 -2.198 2.385) 11.401 10.815 ( -11.039 -0.838 -12.548) 16.734 10.815 ( -11.039 -0.838 12.548) 16.734 11.291 ( 12.756 1.412 -17.641) 21.815 11.291 ( 12.756 1.412 17.641) 21.815 11.900 ( 11.636 2.576 -8.789) 14.808 11.900 ( 11.636 2.576 8.789) 14.808 12.284 ( 14.092 -2.983 -19.771) 24.462 12.284 ( 14.092 -2.983 19.771) 24.462 13.341 ( 5.143 -0.369 -1.115) 5.276 13.341 ( 5.143 -0.369 1.115) 5.276 15.560 ( -1.679 -0.377 -5.713) 5.967 15.560 ( -1.679 -0.377 5.713) 5.967 16.965 ( 4.540 -0.382 -7.213) 8.531 16.965 ( 4.540 -0.382 7.213) 8.531======================= Grid point 674 (198/219) =======================q-point: (-0.56 0.25 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.345 ( -3.638 2.481 -3.705) 5.755 2.345 ( -3.638 2.481 3.705) 5.755 2.618 ( -4.143 -0.927 -1.823) 4.620 2.618 ( -4.143 -0.927 1.823) 4.620 2.950 ( -6.062 -2.989 -1.243) 6.872 2.950 ( -6.062 -2.989 1.243) 6.872 3.311 ( -6.935 2.431 -5.834) 9.383 3.311 ( -6.935 2.431 5.834) 9.383 3.598 ( -5.028 -3.899 -9.218) 11.201 3.598 ( -5.028 -3.899 9.218) 11.201 4.369 ( -8.229 -4.639 -4.875) 10.630 4.369 ( -8.229 -4.639 4.875) 10.630 4.734 ( 2.280 3.889 -3.012) 5.422 4.734 ( 2.280 3.889 3.012) 5.422 5.278 ( -9.851 6.460 -5.991) 13.216 5.278 ( -9.851 6.460 5.991) 13.216 5.426 ( -17.068 -1.801 -6.387) 18.312 5.426 ( -17.068 -1.801 6.387) 18.312 7.796 ( 1.275 2.116 -3.713) 4.460 7.796 ( 1.275 2.116 3.713) 4.460 8.438 ( -6.953 -8.278 -7.139) 12.954 8.438 ( -6.953 -8.278 7.139) 12.954 9.045 ( -8.652 -0.966 -8.408) 12.103 9.045 ( -8.652 -0.966 8.408) 12.103 9.546 ( -9.493 -1.426 -5.037) 10.841 9.546 ( -9.493 -1.426 5.037) 10.841 10.179 ( -14.918 -2.558 -2.294) 15.309 10.179 ( -14.918 -2.558 2.294) 15.309 10.638 ( -8.184 -2.137 -13.786) 16.174 10.638 ( -8.184 -2.137 13.786) 16.174 11.507 ( 12.571 2.974 -18.754) 22.772 11.507 ( 12.571 2.974 18.754) 22.772 12.171 ( 15.974 0.741 -11.988) 19.986 12.171 ( 15.974 0.741 11.988) 19.986 12.515 ( 8.842 -1.634 -20.891) 22.744 12.515 ( 8.842 -1.634 20.891) 22.744 13.503 ( 12.378 0.542 -3.259) 12.811 13.503 ( 12.378 0.542 3.259) 12.811 15.536 ( -1.660 -2.630 -3.636) 4.784 15.536 ( -1.660 -2.630 3.636) 4.784 17.066 ( 6.073 -0.267 -6.515) 8.910 17.066 ( 6.073 -0.267 6.515) 8.910======================= Grid point 676 (199/219) =======================q-point: (-0.50 0.25 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 386Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.212 ( -8.661 5.274 -2.891) 10.544 2.212 ( -8.661 5.274 2.891) 10.544 2.543 ( -4.396 -2.632 -2.175) 5.566 2.543 ( -4.396 -2.632 2.175) 5.566 2.876 ( -4.457 -1.732 -2.429) 5.363 2.876 ( -4.457 -1.732 2.429) 5.363 3.125 ( -13.268 -4.466 -1.341) 14.064 3.125 ( -13.268 -4.466 1.341) 14.064 3.475 ( -8.911 -0.880 -8.735) 12.509 3.475 ( -8.911 -0.880 8.735) 12.509 4.170 ( -16.030 -1.165 -4.910) 16.806 4.170 ( -16.030 -1.165 4.910) 16.806 4.648 ( -10.985 8.150 -7.026) 15.377 4.648 ( -10.985 8.150 7.026) 15.377 5.027 ( -8.936 -0.221 -5.459) 10.473 5.027 ( -8.936 -0.221 5.459) 10.473 5.270 ( -1.159 -1.226 -4.402) 4.714 5.270 ( -1.159 -1.226 4.402) 4.714 7.771 ( -2.664 1.910 -4.559) 5.615 7.771 ( -2.664 1.910 4.559) 5.615 8.313 ( -11.770 -8.362 -8.027) 16.519 8.313 ( -11.770 -8.362 8.027) 16.519 8.889 ( -9.553 2.594 -7.327) 12.315 8.889 ( -9.553 2.594 7.327) 12.315 9.444 ( -3.367 -6.474 -1.300) 7.412 9.444 ( -3.367 -6.474 1.300) 7.412 9.914 ( -14.095 -5.701 -3.601) 15.625 9.914 ( -14.095 -5.701 3.601) 15.625 10.540 ( -3.213 -1.534 -13.345) 13.812 10.540 ( -3.213 -1.534 13.345) 13.812 11.735 ( 13.361 3.751 -14.261) 19.899 11.735 ( 13.361 3.751 14.261) 19.899 12.393 ( 5.391 0.033 -7.389) 9.146 12.393 ( 5.391 0.033 7.389) 9.146 12.679 ( 10.337 -0.016 -13.289) 16.836 12.679 ( 10.337 -0.016 13.289) 16.836 13.785 ( 17.833 2.922 -7.754) 19.664 13.785 ( 17.833 2.922 7.754) 19.664 15.535 ( -0.803 -5.377 -2.664) 6.054 15.535 ( -0.803 -5.377 2.664) 6.054 17.198 ( 7.785 -0.624 -6.116) 9.919 17.198 ( 7.785 -0.624 6.116) 9.919======================= Grid point 678 (200/219) =======================q-point: (-0.44 0.25 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.972 ( -11.907 8.533 -4.407) 15.298 1.972 ( -11.907 8.533 4.407) 15.298 2.435 ( -12.203 -1.999 -3.350) 12.812 2.435 ( -12.203 -1.999 3.350) 12.812 2.754 ( -7.602 0.729 -3.897) 8.574 2.754 ( -7.602 0.729 3.897) 8.574 2.932 ( -10.418 -10.182 -3.591) 15.004 2.932 ( -10.418 -10.182 3.591) 15.004 3.294 ( -11.499 -3.722 -4.856) 13.025 3.294 ( -11.499 -3.722 4.856) 13.025 3.796 ( -22.586 0.386 -2.082) 22.685 3.796 ( -22.586 0.386 2.082) 22.685 4.253 ( -19.129 15.380 -12.829) 27.696 4.253 ( -19.129 15.380 12.829) 27.696 5.031 ( 4.204 -4.048 -6.146) 8.475 5.031 ( 4.204 -4.048 6.146) 8.475 5.312 ( 3.101 -3.602 -5.443) 7.227 5.312 ( 3.101 -3.602 5.443) 7.227 7.665 ( -8.668 0.598 -3.189) 9.255 7.665 ( -8.668 0.598 3.189) 9.255 8.106 ( -13.711 -5.649 -7.342) 16.547 8.106 ( -13.711 -5.649 7.342) 16.547 8.612 ( -17.955 1.994 -4.680) 18.662 8.612 ( -17.955 1.994 4.680) 18.662 9.446 ( -0.721 -2.347 -1.406) 2.830 9.446 ( -0.721 -2.347 1.406) 2.830 9.771 ( -6.612 -12.246 -3.865) 14.444 9.771 ( -6.612 -12.246 3.865) 14.444 10.559 ( 4.829 -2.157 -13.059) 14.089 10.559 ( 4.829 -2.157 13.059) 14.089 11.938 ( 9.975 5.101 -9.750) 14.852 11.938 ( 9.975 5.101 9.750) 14.852 12.401 ( -0.890 2.240 -14.481) 14.680 12.401 ( -0.890 2.240 14.481) 14.680 12.894 ( 10.834 -0.117 -7.048) 12.926 12.894 ( 10.834 -0.117 7.048) 12.926 14.098 ( 16.741 4.525 -7.677) 18.965 14.098 ( 16.741 4.525 7.677) 18.965 15.568 ( 0.524 -6.870 -2.380) 7.289 15.568 ( 0.524 -6.870 2.380) 7.289 17.364 ( 9.272 -1.439 -6.114) 11.199 17.364 ( 9.272 -1.439 6.114) 11.199======================= Grid point 680 (201/219) =======================q-point: (-0.38 0.25 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 386Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.695 ( -11.114 10.561 -6.973) 16.843 1.695 ( -11.114 10.561 6.973) 16.843 2.057 ( -25.254 2.112 -3.768) 25.621 2.057 ( -25.254 2.112 3.768) 25.621 2.626 ( -8.306 2.841 -3.418) 9.421 2.626 ( -8.306 2.841 3.418) 9.421 2.833 ( -6.468 -13.814 -5.004) 16.053 2.833 ( -6.468 -13.814 5.004) 16.053 3.085 ( -13.930 -3.698 -3.635) 14.864 3.085 ( -13.930 -3.698 3.635) 14.864 3.388 ( -19.837 -5.422 -3.333) 20.833 3.388 ( -19.837 -5.422 3.333) 20.833 3.873 ( -9.292 19.151 -19.496) 28.865 3.873 ( -9.292 19.151 19.496) 28.865 5.140 ( 5.136 0.395 -4.869) 7.088 5.140 ( 5.136 0.395 4.869) 7.088 5.413 ( 3.638 -9.220 -5.822) 11.495 5.413 ( 3.638 -9.220 5.822) 11.495 7.384 ( -21.360 1.779 -1.935) 21.521 7.384 ( -21.360 1.779 1.935) 21.521 7.902 ( -10.091 -1.744 -6.348) 12.049 7.902 ( -10.091 -1.744 6.348) 12.049 8.272 ( -15.818 -2.920 -1.354) 16.143 8.272 ( -15.818 -2.920 1.354) 16.143 9.442 ( -1.470 -4.903 -5.006) 7.160 9.442 ( -1.470 -4.903 5.006) 7.160 9.753 ( -1.471 -4.432 -5.329) 7.086 9.753 ( -1.471 -4.432 5.329) 7.086 10.736 ( 10.130 -6.205 -9.747) 15.366 10.736 ( 10.130 -6.205 9.747) 15.366 12.020 ( 2.508 7.004 -16.205) 17.831 12.020 ( 2.508 7.004 16.205) 17.831 12.423 ( 6.172 3.854 -12.438) 14.410 12.423 ( 6.172 3.854 12.438) 14.410 13.045 ( 4.570 0.370 -4.867) 6.687 13.045 ( 4.570 0.370 4.867) 6.687 14.327 ( 9.683 3.974 -2.632) 10.792 14.327 ( 9.683 3.974 2.632) 10.792 15.628 ( 1.760 -6.013 -3.540) 7.196 15.628 ( 1.760 -6.013 3.540) 7.196 17.555 ( 9.406 -2.687 -6.063) 11.509 17.555 ( 9.406 -2.687 6.063) 11.509======================= Grid point 682 (202/219) =======================q-point: (-0.31 0.25 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.460 ( -7.044 10.662 -9.990) 16.220 1.460 ( -7.044 10.662 9.990) 16.220 1.565 ( -21.783 6.416 -4.618) 23.173 1.565 ( -21.783 6.416 4.618) 23.173 2.413 ( -10.292 1.415 -3.844) 11.078 2.413 ( -10.292 1.415 3.844) 11.078 2.748 ( -11.713 -0.128 -3.574) 12.247 2.748 ( -11.713 -0.128 3.574) 12.247 2.892 ( -5.578 -12.634 -13.587) 19.373 2.892 ( -5.578 -12.634 13.587) 19.373 3.173 ( -6.097 -1.285 -5.969) 8.628 3.173 ( -6.097 -1.285 5.969) 8.628 3.696 ( -1.699 9.031 -15.809) 18.286 3.696 ( -1.699 9.031 15.809) 18.286 5.197 ( 2.825 6.137 -3.843) 7.772 5.197 ( 2.825 6.137 3.843) 7.772 5.546 ( 2.987 -14.066 -5.089) 15.253 5.546 ( 2.987 -14.066 5.089) 15.253 6.905 ( -23.103 8.338 -3.168) 24.765 6.905 ( -23.103 8.338 3.168) 24.765 7.735 ( -7.611 -0.246 -5.095) 9.162 7.735 ( -7.611 -0.246 5.095) 9.162 8.107 ( -5.229 -5.998 -3.119) 8.547 8.107 ( -5.229 -5.998 3.119) 8.547 9.448 ( -1.963 -7.814 -7.945) 11.316 9.448 ( -1.963 -7.814 7.945) 11.316 9.761 ( 1.940 3.157 -9.610) 10.300 9.761 ( 1.940 3.157 9.610) 10.300 10.947 ( 6.554 -8.718 -2.930) 11.294 10.947 ( 6.554 -8.718 2.930) 11.294 11.992 ( -0.017 7.885 -20.147) 21.635 11.992 ( -0.017 7.885 20.147) 21.635 12.580 ( 12.049 3.795 -3.122) 13.013 12.580 ( 12.049 3.795 3.122) 13.013 13.044 ( -4.194 1.732 -2.460) 5.162 13.044 ( -4.194 1.732 2.460) 5.162 14.417 ( 2.488 2.351 -3.437) 4.851 14.417 ( 2.488 2.351 3.437) 4.851 15.692 ( 1.752 -3.848 -10.780) 11.580 15.692 ( 1.752 -3.848 10.780) 11.580 17.730 ( 6.565 -4.459 -5.813) 9.837 17.730 ( 6.565 -4.459 5.813) 9.837======================= Grid point 684 (203/219) =======================q-point: (-0.25 0.25 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 209Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.276 ( -0.000 7.815 -6.869) 10.405 1.276 ( -0.000 7.815 6.869) 10.405 1.342 ( -0.000 10.821 -12.961) 16.884 1.342 ( -0.000 10.821 12.961) 16.884 2.304 ( 0.000 -0.579 -3.374) 3.424 2.304 ( 0.000 -0.579 3.374) 3.424 2.608 ( -0.000 1.306 -2.184) 2.544 2.608 ( -0.000 1.306 2.184) 2.544 2.876 ( -0.000 2.604 -8.073) 8.483 2.876 ( -0.000 2.604 8.073) 8.483 3.144 ( 0.000 -6.023 -7.533) 9.645 3.144 ( 0.000 -6.023 7.533) 9.645 3.670 ( 0.000 -2.673 -8.034) 8.467 3.670 ( 0.000 -2.673 8.034) 8.467 5.180 ( -0.000 8.913 -4.545) 10.005 5.180 ( -0.000 8.913 4.545) 10.005 5.663 ( 0.000 -14.945 -5.370) 15.880 5.663 ( 0.000 -14.945 5.370) 15.880 6.585 ( -0.000 13.623 -3.632) 14.099 6.585 ( -0.000 13.623 3.632) 14.099 7.661 ( 0.000 -0.628 -3.265) 3.325 7.661 ( 0.000 -0.628 3.265) 3.325 8.095 ( 0.000 -4.702 -3.445) 5.829 8.095 ( 0.000 -4.702 3.445) 5.829 9.441 ( -0.000 6.155 -9.832) 11.600 9.441 ( -0.000 6.155 9.832) 11.600 9.788 ( 0.000 -7.958 -11.703) 14.152 9.788 ( 0.000 -7.958 11.703) 14.152 11.061 ( 0.000 -9.254 -0.977) 9.305 11.061 ( 0.000 -9.254 0.977) 9.305 11.947 ( -0.000 7.038 -20.209) 21.400 11.947 ( -0.000 7.038 20.209) 21.400 12.748 ( -0.000 1.923 -0.584) 2.010 12.748 ( -0.000 1.923 0.584) 2.010 12.922 ( -0.000 4.133 -1.640) 4.447 12.922 ( -0.000 4.133 1.640) 4.447 14.424 ( -0.000 1.579 -5.672) 5.888 14.424 ( -0.000 1.579 5.672) 5.888 15.727 ( 0.000 -2.535 -14.156) 14.382 15.727 ( 0.000 -2.535 14.156) 14.382 17.827 ( 0.000 -6.089 -5.858) 8.449 17.827 ( 0.000 -6.089 5.858) 8.449======================= Grid point 702 (204/219) =======================q-point: (-0.69 0.31 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 208Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.409 ( -0.715 -0.000 -6.013) 6.055 2.409 ( -0.715 -0.000 6.013) 6.055 2.659 ( -2.530 -0.000 -0.702) 2.626 2.659 ( -2.530 -0.000 0.702) 2.626 3.079 ( -8.374 -0.000 -0.630) 8.398 3.079 ( -8.374 -0.000 0.630) 8.398 3.439 ( -2.520 -0.000 -6.095) 6.596 3.439 ( -2.520 -0.000 6.095) 6.596 3.600 ( -2.273 -0.000 -10.332) 10.579 3.600 ( -2.273 -0.000 10.332) 10.579 4.458 ( -6.142 -0.000 -3.173) 6.913 4.458 ( -6.142 -0.000 3.173) 6.913 4.662 ( 6.968 0.000 -5.124) 8.649 4.662 ( 6.968 0.000 5.124) 8.649 5.532 ( -8.407 -0.000 -10.417) 13.387 5.532 ( -8.407 -0.000 10.417) 13.387 5.710 ( -13.983 -0.000 -1.447) 14.058 5.710 ( -13.983 -0.000 1.447) 14.058 7.757 ( 4.377 0.000 -3.279) 5.469 7.757 ( 4.377 0.000 3.279) 5.469 8.489 ( -6.902 -0.000 -6.424) 9.429 8.489 ( -6.902 -0.000 6.424) 9.429 9.228 ( -12.538 -0.000 -6.151) 13.965 9.228 ( -12.538 -0.000 6.151) 13.965 9.750 ( -10.842 -0.000 -6.851) 12.825 9.750 ( -10.842 -0.000 6.851) 12.825 10.394 ( -10.823 -0.000 -1.828) 10.976 10.394 ( -10.823 -0.000 1.828) 10.976 10.810 ( -11.567 -0.000 -12.406) 16.962 10.810 ( -11.567 -0.000 12.406) 16.962 11.299 ( 13.275 0.000 -17.869) 22.260 11.299 ( 13.275 0.000 17.869) 22.260 11.917 ( 10.810 0.000 -7.748) 13.300 11.917 ( 10.810 0.000 7.748) 13.300 12.265 ( 14.714 0.000 -20.456) 25.198 12.265 ( 14.714 0.000 20.456) 25.198 13.339 ( 5.210 0.000 -1.112) 5.327 13.339 ( 5.210 0.000 1.112) 5.327 15.558 ( -2.126 -0.000 -4.952) 5.389 15.558 ( -2.126 -0.000 4.952) 5.389 16.962 ( 4.667 0.000 -6.992) 8.406 16.962 ( 4.667 0.000 6.992) 8.406======================= Grid point 706 (205/219) =======================q-point: (-0.62 0.31 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.367 ( -3.500 1.124 -6.517) 7.482 2.367 ( -3.500 1.124 6.517) 7.482 2.609 ( -3.292 -0.540 -0.572) 3.385 2.609 ( -3.292 -0.540 0.572) 3.385 2.924 ( -7.551 -1.305 -0.724) 7.697 2.924 ( -7.551 -1.305 0.724) 7.697 3.335 ( -8.630 1.225 -5.000) 10.049 3.335 ( -8.630 1.225 5.000) 10.049 3.569 ( -2.599 -1.189 -11.679) 12.023 3.569 ( -2.599 -1.189 11.679) 12.023 4.329 ( -7.847 -1.967 -5.033) 9.528 4.329 ( -7.847 -1.967 5.033) 9.528 4.765 ( 3.204 1.391 -2.080) 4.065 4.765 ( 3.204 1.391 2.080) 4.065 5.343 ( -10.896 4.586 -7.184) 13.833 5.343 ( -10.896 4.586 7.184) 13.833 5.398 ( -17.595 -2.953 -5.460) 18.657 5.398 ( -17.595 -2.953 5.460) 18.657 7.812 ( 1.343 0.770 -3.231) 3.582 7.812 ( 1.343 0.770 3.231) 3.582 8.373 ( -6.903 -2.904 -7.144) 10.350 8.373 ( -6.903 -2.904 7.144) 10.350 9.035 ( -7.617 -0.518 -8.850) 11.688 9.035 ( -7.617 -0.518 8.850) 11.688 9.537 ( -11.243 -0.316 -4.584) 12.146 9.537 ( -11.243 -0.316 4.584) 12.146 10.159 ( -14.981 -0.908 -0.999) 15.041 10.159 ( -14.981 -0.908 0.999) 15.041 10.621 ( -8.003 -0.780 -13.826) 15.994 10.621 ( -8.003 -0.780 13.826) 15.994 11.530 ( 12.517 0.973 -19.091) 22.849 11.530 ( 12.517 0.973 19.091) 22.849 12.179 ( 15.185 0.510 -10.825) 18.655 12.179 ( 15.185 0.510 10.825) 18.655 12.501 ( 9.855 -0.745 -20.927) 23.144 12.501 ( 9.855 -0.745 20.927) 23.143 13.508 ( 13.115 0.189 -3.089) 13.475 13.508 ( 13.115 0.189 3.089) 13.475 15.515 ( -2.558 -0.965 -2.636) 3.797 15.515 ( -2.558 -0.965 2.636) 3.797 17.064 ( 6.095 -0.075 -5.942) 8.513 17.064 ( 6.095 -0.075 5.942) 8.513======================= Grid point 708 (206/219) =======================q-point: (-0.56 0.31 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.256 ( -7.527 2.438 -4.968) 9.342 2.256 ( -7.527 2.438 4.968) 9.342 2.534 ( -4.416 0.671 -2.619) 5.178 2.534 ( -4.416 0.671 2.619) 5.178 2.832 ( -4.297 -4.562 -0.493) 6.286 2.832 ( -4.297 -4.562 0.493) 6.286 3.098 ( -16.207 -1.091 -2.133) 16.383 3.098 ( -16.207 -1.091 2.133) 16.383 3.478 ( -7.649 0.962 -10.110) 12.714 3.478 ( -7.649 0.962 10.110) 12.714 4.155 ( -13.517 -1.233 -4.815) 14.401 4.155 ( -13.517 -1.233 4.815) 14.401 4.722 ( -7.451 4.622 -5.183) 10.185 4.722 ( -7.451 4.622 5.183) 10.185 5.018 ( -14.879 -1.011 -4.758) 15.654 5.018 ( -14.879 -1.011 4.758) 15.654 5.263 ( -0.967 -0.214 -3.161) 3.313 5.263 ( -0.967 -0.214 3.161) 3.313 7.789 ( -3.250 1.236 -4.003) 5.303 7.789 ( -3.250 1.236 4.003) 5.303 8.238 ( -10.186 -4.633 -7.748) 13.611 8.238 ( -10.186 -4.633 7.748) 13.611 8.915 ( -7.905 1.695 -7.974) 11.356 8.915 ( -7.905 1.695 7.974) 11.356 9.383 ( -4.279 -3.965 -1.900) 6.135 9.383 ( -4.279 -3.965 1.900) 6.135 9.863 ( -16.469 -3.088 -2.087) 16.886 9.863 ( -16.469 -3.088 2.087) 16.886 10.527 ( -2.487 -0.669 -13.559) 13.802 10.527 ( -2.487 -0.669 13.559) 13.802 11.767 ( 13.339 1.831 -14.199) 19.568 11.767 ( 13.339 1.831 14.199) 19.568 12.393 ( 5.806 0.022 -5.924) 8.294 12.393 ( 5.806 0.022 5.924) 8.294 12.680 ( 10.787 0.151 -11.845) 16.022 12.680 ( 10.787 0.151 11.845) 16.022 13.813 ( 18.873 1.752 -7.835) 20.510 13.813 ( 18.873 1.752 7.835) 20.510 15.484 ( -1.703 -3.226 -1.264) 3.860 15.484 ( -1.703 -3.226 1.264) 3.860 17.193 ( 7.600 -0.261 -5.094) 9.153 17.193 ( 7.600 -0.261 5.094) 9.153======================= Grid point 710 (207/219) =======================q-point: (-0.50 0.31 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.057 ( -10.869 5.716 -4.369) 13.034 2.057 ( -10.869 5.716 4.369) 13.034 2.426 ( -8.953 0.841 -3.753) 9.744 2.426 ( -8.953 0.841 3.753) 9.744 2.731 ( -12.760 -3.975 -2.684) 13.632 2.731 ( -12.760 -3.975 2.684) 13.632 2.842 ( -7.427 -5.972 -2.959) 9.979 2.842 ( -7.427 -5.972 2.959) 9.979 3.269 ( -13.999 -0.733 -6.478) 15.442 3.269 ( -13.999 -0.733 6.478) 15.442 3.801 ( -23.621 0.445 -2.535) 23.760 3.801 ( -23.621 0.445 2.535) 23.760 4.427 ( -14.158 14.970 -11.865) 23.777 4.427 ( -14.158 14.970 11.865) 23.777 4.941 ( 0.433 -10.819 -7.863) 13.382 4.941 ( 0.433 -10.819 7.863) 13.382 5.298 ( 3.463 0.304 -3.448) 4.897 5.298 ( 3.463 0.304 3.448) 4.897 7.673 ( -8.999 0.707 -2.358) 9.329 7.673 ( -8.999 0.707 2.358) 9.329 8.050 ( -11.697 -3.915 -6.135) 13.776 8.050 ( -11.697 -3.915 6.135) 13.776 8.637 ( -19.565 2.161 -4.808) 20.263 8.637 ( -19.565 2.161 4.808) 20.263 9.424 ( 2.207 -1.189 -1.409) 2.876 9.424 ( 2.207 -1.189 1.409) 2.876 9.644 ( -7.557 -9.844 -2.891) 12.742 9.644 ( -7.557 -9.844 2.891) 12.742 10.542 ( 3.765 -0.950 -13.320) 13.875 10.542 ( 3.765 -0.950 13.320) 13.875 11.986 ( 10.619 3.207 -7.265) 13.260 11.986 ( 10.619 3.207 7.265) 13.260 12.422 ( 0.114 1.422 -9.656) 9.761 12.422 ( 0.114 1.422 9.656) 9.761 12.895 ( 10.820 0.163 -4.705) 11.800 12.895 ( 10.820 0.163 4.705) 11.800 14.145 ( 16.878 3.468 -7.803) 18.915 14.145 ( 16.878 3.468 7.803) 18.915 15.497 ( 0.547 -5.287 -1.307) 5.473 15.497 ( 0.547 -5.287 1.307) 5.473 17.352 ( 8.925 -0.812 -4.798) 10.165 17.352 ( 8.925 -0.812 4.798) 10.165======================= Grid point 712 (208/219) =======================q-point: (-0.44 0.31 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.806 ( -11.152 8.009 -5.038) 14.625 1.806 ( -11.152 8.009 5.038) 14.625 2.095 ( -22.130 4.844 -2.741) 22.819 2.095 ( -22.130 4.844 2.741) 22.819 2.608 ( -4.923 -7.333 -4.795) 10.050 2.608 ( -4.923 -7.333 4.795) 10.050 2.726 ( -10.240 -3.220 -3.636) 11.333 2.726 ( -10.240 -3.220 3.636) 11.333 3.029 ( -11.829 -5.885 -2.491) 13.445 3.029 ( -11.829 -5.885 2.491) 13.445 3.336 ( -23.875 -3.243 -1.992) 24.177 3.336 ( -23.875 -3.243 1.992) 24.177 4.111 ( -7.669 21.912 -18.357) 29.596 4.111 ( -7.669 21.912 18.357) 29.596 5.063 ( 3.813 -13.407 -8.969) 16.575 5.063 ( 3.813 -13.407 8.969) 16.575 5.364 ( 3.352 0.021 -5.380) 6.338 5.364 ( 3.352 0.021 5.380) 6.338 7.410 ( -18.451 2.506 -2.781) 18.826 7.410 ( -18.451 2.506 2.781) 18.826 7.878 ( -8.545 -2.407 -4.373) 9.896 7.878 ( -8.545 -2.407 4.373) 9.896 8.246 ( -18.924 -1.474 -0.742) 18.996 8.246 ( -18.924 -1.474 0.742) 18.996 9.357 ( -8.051 -8.095 -5.969) 12.883 9.357 ( -8.051 -8.095 5.969) 12.883 9.733 ( 8.274 -0.512 -3.873) 9.150 9.733 ( 8.274 -0.512 3.873) 9.150 10.675 ( 8.180 -4.316 -10.286) 13.833 10.675 ( 8.180 -4.316 10.286) 13.833 12.096 ( 3.768 6.083 -14.334) 16.021 12.096 ( 3.768 6.083 14.334) 16.021 12.460 ( 6.211 2.574 -10.374) 12.362 12.460 ( 6.211 2.574 10.374) 12.362 13.047 ( 4.839 0.098 -4.110) 6.350 13.047 ( 4.839 0.098 4.110) 6.350 14.370 ( 8.697 3.343 -2.257) 9.587 14.370 ( 8.697 3.343 2.257) 9.587 15.562 ( 2.961 -5.219 -4.429) 7.458 15.562 ( 2.961 -5.219 4.429) 7.458 17.529 ( 8.890 -1.746 -4.759) 10.234 17.529 ( 8.890 -1.746 4.759) 10.234======================= Grid point 714 (209/219) =======================q-point: (-0.38 0.31 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.553 ( -12.574 4.995 -4.672) 14.314 1.553 ( -12.574 4.995 4.672) 14.314 1.676 ( -13.214 13.034 -5.062) 19.238 1.676 ( -13.214 13.034 5.062) 19.238 2.427 ( -12.012 0.952 -3.521) 12.553 2.427 ( -12.012 0.952 3.521) 12.553 2.679 ( -2.035 -12.370 -7.270) 14.492 2.679 ( -2.035 -12.370 7.270) 14.492 2.799 ( -13.779 -1.620 -4.992) 14.745 2.799 ( -13.779 -1.620 4.992) 14.745 3.100 ( -5.777 -10.185 -4.053) 12.391 3.100 ( -5.777 -10.185 4.053) 12.391 3.889 ( -2.678 22.360 -21.873) 31.394 3.889 ( -2.678 22.360 21.873) 31.394 5.198 ( 2.973 -8.750 -8.674) 12.674 5.198 ( 2.973 -8.750 8.674) 12.674 5.424 ( 2.014 -4.426 -6.485) 8.105 5.424 ( 2.014 -4.426 6.485) 8.105 7.003 ( -18.738 8.418 -3.666) 20.867 7.003 ( -18.738 8.418 3.666) 20.867 7.730 ( -7.642 -0.527 -5.000) 9.148 7.730 ( -7.642 -0.527 5.000) 9.148 8.032 ( -6.378 -6.722 -3.178) 9.796 8.032 ( -6.378 -6.722 3.178) 9.796 9.293 ( -5.177 -14.698 -7.623) 17.347 9.293 ( -5.177 -14.698 7.623) 17.347 9.855 ( 6.494 9.044 -5.463) 12.402 9.855 ( 6.494 9.044 5.463) 12.402 10.854 ( 6.006 -7.450 -3.201) 10.090 10.854 ( 6.006 -7.450 3.201) 10.090 12.088 ( 0.728 8.653 -19.507) 21.353 12.088 ( 0.728 8.653 19.507) 21.353 12.616 ( 11.136 2.590 -2.980) 11.816 12.616 ( 11.136 2.590 2.980) 11.816 13.058 ( -3.472 0.851 -2.975) 4.651 13.058 ( -3.472 0.851 2.975) 4.651 14.443 ( 1.604 2.026 -3.802) 4.597 14.443 ( 1.604 2.026 3.802) 4.597 15.648 ( 2.894 -3.671 -11.134) 12.075 15.648 ( 2.894 -3.671 11.134) 12.075 17.688 ( 6.003 -3.029 -4.676) 8.190 17.688 ( 6.003 -3.029 4.676) 8.190======================= Grid point 716 (210/219) =======================q-point: (-0.31 0.31 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 208Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.356 ( -0.000 6.034 -4.055) 7.270 1.356 ( -0.000 6.034 4.055) 7.270 1.492 ( -0.000 14.953 -7.954) 16.937 1.492 ( -0.000 14.953 7.954) 16.937 2.299 ( 0.000 -0.234 -3.352) 3.360 2.299 ( 0.000 -0.234 3.352) 3.360 2.622 ( -0.000 1.096 -2.351) 2.593 2.622 ( -0.000 1.096 2.351) 2.593 2.773 ( 0.000 -14.778 -13.419) 19.961 2.773 ( 0.000 -14.778 13.419) 19.961 3.104 ( 0.000 -6.198 -2.411) 6.650 3.104 ( 0.000 -6.198 2.411) 6.650 3.753 ( -0.000 16.764 -20.479) 26.465 3.753 ( -0.000 16.764 20.479) 26.465 5.248 ( -0.000 1.216 -5.782) 5.909 5.248 ( -0.000 1.216 5.782) 5.909 5.495 ( 0.000 -12.585 -5.209) 13.621 5.495 ( 0.000 -12.585 5.209) 13.621 6.738 ( -0.000 12.903 -3.598) 13.395 6.738 ( -0.000 12.903 3.598) 13.395 7.654 ( 0.000 -0.607 -3.290) 3.345 7.654 ( 0.000 -0.607 3.290) 3.345 8.024 ( 0.000 -7.429 -2.791) 7.936 8.024 ( 0.000 -7.429 2.791) 7.936 9.336 ( 0.000 -16.757 -8.179) 18.646 9.336 ( 0.000 -16.757 8.179) 18.646 9.856 ( -0.000 12.248 -7.401) 14.310 9.856 ( -0.000 12.248 7.401) 14.310 10.958 ( 0.000 -8.552 -0.982) 8.608 10.958 ( 0.000 -8.552 0.982) 8.608 12.041 ( -0.000 9.195 -20.974) 22.901 12.041 ( -0.000 9.195 20.974) 22.901 12.767 ( -0.000 1.453 -0.599) 1.571 12.767 ( -0.000 1.453 0.599) 1.571 12.962 ( -0.000 2.768 -2.514) 3.739 12.962 ( -0.000 2.768 2.514) 3.739 14.443 ( -0.000 1.500 -5.892) 6.079 14.443 ( -0.000 1.500 5.892) 6.079 15.695 ( 0.000 -2.870 -14.205) 14.492 15.695 ( 0.000 -2.870 14.205) 14.492 17.769 ( 0.000 -4.233 -4.932) 6.499 17.769 ( 0.000 -4.233 4.932) 6.499======================= Grid point 738 (211/219) =======================q-point: (-0.62 0.38 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 209Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.269 ( -7.303 -0.000 -5.975) 9.436 2.269 ( -7.303 -0.000 5.975) 9.436 2.542 ( -3.897 -0.000 -1.658) 4.235 2.542 ( -3.897 -0.000 1.658) 4.235 2.801 ( -4.836 -0.000 -1.049) 4.949 2.801 ( -4.836 -0.000 1.049) 4.949 3.092 ( -17.066 -0.000 -2.157) 17.202 3.092 ( -17.066 -0.000 2.157) 17.202 3.486 ( -7.229 -0.000 -10.296) 12.580 3.486 ( -7.229 -0.000 10.296) 12.580 4.147 ( -12.450 -0.000 -4.598) 13.272 4.147 ( -12.450 -0.000 4.598) 13.272 4.749 ( -5.419 -0.000 -3.918) 6.687 4.749 ( -5.419 -0.000 3.918) 6.687 5.011 ( -18.043 -0.000 -4.141) 18.512 5.011 ( -18.043 -0.000 4.141) 18.512 5.262 ( -0.723 -0.000 -2.607) 2.705 5.262 ( -0.723 -0.000 2.607) 2.705 7.797 ( -3.459 -0.000 -3.744) 5.097 7.797 ( -3.459 -0.000 3.744) 5.097 8.211 ( -9.617 -0.000 -7.596) 12.256 8.211 ( -9.617 -0.000 7.596) 12.256 8.925 ( -7.042 -0.000 -8.360) 10.931 8.925 ( -7.042 -0.000 8.360) 10.931 9.359 ( -4.921 -0.000 -2.256) 5.414 9.359 ( -4.921 -0.000 2.256) 5.414 9.846 ( -17.291 -0.000 -0.841) 17.312 9.846 ( -17.291 -0.000 0.841) 17.312 10.524 ( -2.202 -0.000 -13.630) 13.807 10.524 ( -2.202 -0.000 13.630) 13.807 11.778 ( 13.332 0.000 -14.133) 19.429 11.778 ( 13.332 0.000 14.133) 19.429 12.394 ( 5.888 0.000 -5.450) 8.023 12.394 ( 5.888 0.000 5.450) 8.023 12.681 ( 11.002 0.000 -11.282) 15.758 12.681 ( 11.002 0.000 11.282) 15.758 13.823 ( 19.281 0.000 -7.861) 20.822 13.823 ( 19.281 0.000 7.861) 20.822 15.465 ( -2.058 -0.000 -0.078) 2.060 15.465 ( -2.058 -0.000 0.078) 2.060 17.191 ( 7.535 0.000 -4.704) 8.883 17.191 ( 7.535 0.000 4.704) 8.883======================= Grid point 742 (212/219) =======================q-point: (-0.56 0.38 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.098 ( -10.324 1.623 -4.277) 11.292 2.098 ( -10.324 1.623 4.277) 11.292 2.447 ( -6.896 1.852 -3.258) 7.848 2.447 ( -6.896 1.852 3.258) 7.848 2.691 ( -13.981 -2.118 -1.239) 14.195 2.691 ( -13.981 -2.118 1.239) 14.195 2.788 ( -7.875 -2.999 -2.501) 8.790 2.788 ( -7.875 -2.999 2.501) 8.790 3.269 ( -15.614 0.247 -6.750) 17.012 3.269 ( -15.614 0.247 6.750) 17.012 3.805 ( -23.910 0.174 -2.646) 24.057 3.805 ( -23.910 0.174 2.646) 24.057 4.586 ( -8.199 11.733 -10.186) 17.568 4.586 ( -8.199 11.733 10.186) 17.568 4.808 ( -5.103 -10.724 -8.196) 14.429 4.808 ( -5.103 -10.724 8.196) 14.429 5.304 ( 4.026 0.438 -1.132) 4.205 5.304 ( 4.026 0.438 1.132) 4.205 7.680 ( -9.127 0.318 -1.643) 9.279 7.680 ( -9.127 0.318 1.643) 9.279 8.019 ( -10.727 -1.418 -5.336) 12.064 8.019 ( -10.727 -1.418 5.336) 12.064 8.656 ( -20.545 0.956 -5.063) 21.182 8.656 ( -20.545 0.956 5.063) 21.182 9.421 ( 6.671 0.380 -0.789) 6.728 9.421 ( 6.671 0.380 0.789) 6.728 9.557 ( -10.859 -4.535 -2.104) 11.955 9.557 ( -10.859 -4.535 2.104) 11.955 10.535 ( 3.243 -0.246 -13.458) 13.845 10.535 ( 3.243 -0.246 13.458) 13.845 12.010 ( 11.120 1.096 -4.676) 12.113 12.010 ( 11.120 1.096 4.676) 12.113 12.433 ( 0.660 0.483 -3.411) 3.508 12.433 ( 0.660 0.483 3.411) 3.508 12.897 ( 10.697 0.102 -2.272) 10.937 12.897 ( 10.697 0.102 2.272) 10.937 14.173 ( 16.942 1.326 -7.867) 18.726 14.173 ( 16.942 1.326 7.867) 18.726 15.454 ( 0.578 -2.009 -0.401) 2.129 15.454 ( 0.578 -2.009 0.401) 2.129 17.346 ( 8.739 -0.260 -3.958) 9.597 17.346 ( 8.739 -0.260 3.958) 9.597======================= Grid point 744 (213/219) =======================q-point: (-0.50 0.38 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 386Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.869 ( -12.593 3.195 -3.947) 13.578 1.869 ( -12.593 3.195 3.947) 13.578 2.164 ( -18.557 6.334 -2.096) 19.720 2.164 ( -18.557 6.334 2.096) 19.720 2.515 ( -5.076 -6.719 -2.044) 8.665 2.515 ( -5.076 -6.719 2.044) 8.665 2.710 ( -8.111 -1.367 -2.882) 8.716 2.710 ( -8.111 -1.367 2.882) 8.716 2.966 ( -13.821 -4.305 -2.267) 14.653 2.966 ( -13.821 -4.305 2.267) 14.653 3.313 ( -26.392 -1.019 -1.546) 26.457 3.313 ( -26.392 -1.019 1.546) 26.457 4.363 ( -4.715 21.662 -15.794) 27.220 4.363 ( -4.715 21.662 15.794) 27.220 4.873 ( 1.105 -18.538 -10.537) 21.352 4.873 ( 1.105 -18.538 10.537) 21.352 5.378 ( 3.931 1.445 -2.741) 5.005 5.378 ( 3.931 1.445 2.741) 5.005 7.435 ( -16.390 1.666 -3.146) 16.772 7.435 ( -16.390 1.666 3.146) 16.772 7.852 ( -7.839 -1.816 -2.098) 8.316 7.852 ( -7.839 -1.816 2.098) 8.316 8.237 ( -21.198 -0.337 -0.805) 21.216 8.237 ( -21.198 -0.337 0.805) 21.216 9.281 ( -11.374 -4.694 -5.171) 13.347 9.281 ( -11.374 -4.694 5.171) 13.347 9.727 ( 13.960 -0.557 -2.620) 14.215 9.727 ( 13.960 -0.557 2.620) 14.215 10.639 ( 6.659 -2.087 -10.679) 12.756 10.639 ( 6.659 -2.087 10.679) 12.756 12.153 ( 5.121 3.635 -10.821) 12.511 12.153 ( 5.121 3.635 10.821) 12.511 12.482 ( 6.070 1.223 -6.465) 8.952 12.482 ( 6.070 1.223 6.465) 8.952 13.047 ( 4.802 -0.038 -2.559) 5.441 13.047 ( 4.802 -0.038 2.559) 5.441 14.401 ( 7.850 1.945 -1.986) 8.327 14.401 ( 7.850 1.945 1.986) 8.327 15.514 ( 3.981 -3.069 -5.078) 7.145 15.514 ( 3.981 -3.069 5.078) 7.145 17.514 ( 8.585 -0.855 -3.699) 9.387 17.514 ( 8.585 -0.855 3.699) 9.387======================= Grid point 746 (214/219) =======================q-point: (-0.44 0.38 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.591 ( -14.303 2.170 -2.355) 14.657 1.591 ( -14.303 2.170 2.355) 14.657 1.832 ( -9.126 13.017 -6.231) 17.075 1.832 ( -9.126 13.017 6.231) 17.075 2.429 ( -11.572 -1.041 -3.583) 12.159 2.429 ( -11.572 -1.041 3.583) 12.159 2.549 ( -2.686 -8.444 -3.648) 9.582 2.549 ( -2.686 -8.444 3.648) 9.582 2.794 ( -12.842 -0.480 -3.217) 13.247 2.794 ( -12.842 -0.480 3.217) 13.247 2.975 ( -7.738 -10.417 -5.373) 14.045 2.975 ( -7.738 -10.417 5.373) 14.045 4.167 ( -1.904 25.307 -19.971) 32.294 4.167 ( -1.904 25.307 19.971) 32.294 5.017 ( 1.776 -20.156 -10.883) 22.976 5.017 ( 1.776 -20.156 10.883) 22.976 5.426 ( 2.263 2.189 -4.293) 5.324 5.426 ( 2.263 2.189 4.293) 5.324 7.088 ( -15.898 6.131 -3.845) 17.468 7.088 ( -15.898 6.131 3.845) 17.468 7.723 ( -7.107 -0.816 -4.586) 8.497 7.723 ( -7.107 -0.816 4.586) 8.497 7.963 ( -8.313 -4.977 -3.602) 10.337 7.963 ( -8.313 -4.977 3.602) 10.337 9.151 ( -6.452 -9.632 -6.997) 13.542 9.151 ( -6.452 -9.632 6.997) 13.542 9.938 ( 8.872 5.256 -2.716) 10.664 9.938 ( 8.872 5.256 2.716) 10.664 10.782 ( 5.475 -4.958 -3.515) 8.180 10.782 ( 5.475 -4.958 3.515) 8.180 12.180 ( 1.650 6.960 -16.599) 18.074 12.180 ( 1.650 6.960 16.599) 18.074 12.639 ( 10.523 1.393 -2.327) 10.867 12.639 ( 10.523 1.393 2.327) 10.867 13.064 ( -3.072 0.125 -3.279) 4.496 13.064 ( -3.072 0.125 3.279) 4.496 14.462 ( 0.823 1.331 -3.955) 4.253 14.462 ( 0.823 1.331 3.955) 4.253 15.612 ( 3.858 -2.619 -11.149) 12.085 15.612 ( 3.858 -2.619 11.149) 12.085 17.661 ( 5.679 -1.758 -3.571) 6.935 17.661 ( 5.679 -1.758 3.571) 6.935======================= Grid point 748 (215/219) =======================q-point: (-0.38 0.38 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 209Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.413 ( -0.000 3.968 -2.028) 4.456 1.413 ( -0.000 3.968 2.028) 4.456 1.670 ( -0.000 15.496 -7.658) 17.285 1.670 ( -0.000 15.496 7.658) 17.285 2.298 ( -0.000 0.004 -3.386) 3.386 2.298 ( -0.000 0.004 3.386) 3.386 2.607 ( 0.000 -13.127 -7.202) 14.973 2.607 ( 0.000 -13.127 7.202) 14.973 2.632 ( -0.000 0.784 -2.446) 2.568 2.632 ( -0.000 0.784 2.446) 2.568 2.993 ( 0.000 -11.774 -5.360) 12.937 2.993 ( 0.000 -11.774 5.360) 12.937 4.003 ( -0.000 25.188 -22.122) 33.524 4.003 ( -0.000 25.188 22.122) 33.524 5.147 ( 0.000 -17.642 -10.588) 20.575 5.147 ( 0.000 -17.642 10.588) 20.575 5.437 ( -0.000 1.168 -5.874) 5.989 5.437 ( -0.000 1.168 5.874) 5.989 6.871 ( -0.000 10.120 -3.507) 10.711 6.871 ( -0.000 10.120 3.507) 10.711 7.647 ( 0.000 -0.492 -3.314) 3.350 7.647 ( 0.000 -0.492 3.314) 3.350 7.936 ( 0.000 -7.530 -3.217) 8.189 7.936 ( 0.000 -7.530 3.217) 8.189 9.157 ( 0.000 -13.440 -7.768) 15.524 9.157 ( 0.000 -13.440 7.768) 15.524 9.981 ( -0.000 8.942 -3.189) 9.494 9.981 ( -0.000 8.942 3.189) 9.494 10.870 ( 0.000 -6.607 -0.982) 6.679 10.870 ( 0.000 -6.607 0.982) 6.679 12.148 ( -0.000 8.961 -18.942) 20.955 12.148 ( -0.000 8.961 18.942) 20.955 12.781 ( -0.000 0.928 -0.614) 1.113 12.781 ( -0.000 0.928 0.614) 1.113 12.985 ( -0.000 1.260 -3.852) 4.053 12.985 ( -0.000 1.260 3.852) 4.053 14.457 ( -0.000 1.055 -5.865) 5.959 14.457 ( -0.000 1.055 5.865) 5.959 15.665 ( 0.000 -2.423 -13.716) 13.929 15.665 ( 0.000 -2.423 13.716) 13.929 17.730 ( 0.000 -2.666 -3.794) 4.637 17.730 ( 0.000 -2.666 3.794) 4.637======================= Grid point 774 (216/219) =======================q-point: (-0.56 0.44 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 208Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.886 ( -13.251 -0.000 -3.135) 13.617 1.886 ( -13.251 -0.000 3.135) 13.617 2.207 ( -17.316 -0.000 -1.715) 17.401 2.207 ( -17.316 -0.000 1.715) 17.401 2.475 ( -5.425 -0.000 -0.512) 5.449 2.475 ( -5.425 -0.000 0.512) 5.449 2.698 ( -5.807 -0.000 -1.051) 5.901 2.698 ( -5.807 -0.000 1.051) 5.901 2.941 ( -15.971 -0.000 -1.359) 16.028 2.941 ( -15.971 -0.000 1.359) 16.028 3.308 ( -27.007 -0.000 -1.745) 27.064 3.308 ( -27.007 -0.000 1.745) 27.064 4.554 ( -2.110 -0.000 -10.284) 10.499 4.554 ( -2.110 -0.000 10.284) 10.499 4.699 ( -1.324 -0.000 -8.251) 8.356 4.699 ( -1.324 -0.000 8.251) 8.356 5.387 ( 4.110 0.000 -0.991) 4.228 5.387 ( 4.110 0.000 0.991) 4.228 7.445 ( -15.656 -0.000 -3.233) 15.987 7.445 ( -15.656 -0.000 3.233) 15.987 7.841 ( -7.699 -0.000 -0.505) 7.715 7.841 ( -7.699 -0.000 0.505) 7.715 8.235 ( -21.989 -0.000 -0.991) 22.011 8.235 ( -21.989 -0.000 0.991) 22.011 9.254 ( -12.362 -0.000 -4.640) 13.204 9.254 ( -12.362 -0.000 4.640) 13.204 9.723 ( 15.834 0.000 -2.182) 15.983 9.723 ( 15.834 0.000 2.182) 15.983 10.627 ( 6.093 0.000 -10.814) 12.412 10.627 ( 6.093 0.000 10.814) 12.412 12.175 ( 5.710 0.000 -8.427) 10.180 12.175 ( 5.710 0.000 8.427) 10.180 12.488 ( 5.978 0.000 -2.472) 6.469 12.488 ( 5.978 0.000 2.472) 6.469 13.047 ( 4.739 0.000 -1.095) 4.864 13.047 ( 4.739 0.000 1.095) 4.864 14.412 ( 7.505 0.000 -1.890) 7.739 14.412 ( 7.505 0.000 1.890) 7.739 15.496 ( 4.392 0.000 -5.320) 6.899 15.496 ( 4.392 0.000 5.320) 6.899 17.510 ( 8.482 0.000 -3.269) 9.091 17.510 ( 8.482 0.000 3.269) 9.091======================= Grid point 778 (217/219) =======================q-point: (-0.50 0.44 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.607 ( -14.246 0.686 -1.664) 14.360 1.607 ( -14.246 0.686 1.664) 14.360 1.946 ( -7.943 5.850 -4.979) 11.050 1.946 ( -7.943 5.850 4.979) 11.050 2.401 ( -6.332 -2.474 -1.946) 7.071 2.401 ( -6.332 -2.474 1.946) 7.071 2.502 ( -8.503 -0.925 -2.127) 8.814 2.502 ( -8.503 -0.925 2.127) 8.814 2.780 ( -7.788 -1.464 -4.138) 8.940 2.780 ( -7.788 -1.464 4.138) 8.940 2.890 ( -13.091 -3.680 -2.768) 13.877 2.890 ( -13.091 -3.680 2.768) 13.877 4.448 ( -0.739 22.468 -15.771) 27.460 4.448 ( -0.739 22.468 15.771) 27.460 4.774 ( 0.559 -20.851 -12.127) 24.127 4.774 ( 0.559 -20.851 12.127) 24.127 5.447 ( 2.426 1.026 -1.801) 3.191 5.447 ( 2.426 1.026 1.801) 3.191 7.137 ( -14.474 2.231 -3.881) 15.150 7.137 ( -14.474 2.231 3.881) 15.150 7.714 ( -6.411 -0.478 -3.987) 7.565 7.714 ( -6.411 -0.478 3.987) 7.565 7.924 ( -9.983 -1.732 -3.611) 10.756 7.924 ( -9.983 -1.732 3.611) 10.756 9.077 ( -6.976 -3.248 -6.513) 10.081 9.077 ( -6.976 -3.248 6.513) 10.081 9.976 ( 10.128 1.620 -1.404) 10.352 9.976 ( 10.128 1.620 1.404) 10.352 10.743 ( 5.094 -1.726 -3.734) 6.548 10.743 ( 5.094 -1.726 3.734) 6.548 12.237 ( 2.267 2.711 -13.239) 13.703 12.237 ( 2.267 2.711 13.239) 13.703 12.649 ( 10.247 0.409 -1.024) 10.306 12.649 ( 10.247 0.409 1.024) 10.306 13.063 ( -2.942 -0.068 -3.314) 4.432 13.063 ( -2.942 -0.068 3.314) 4.432 14.473 ( 0.349 0.458 -3.976) 4.018 14.473 ( 0.349 0.458 3.976) 4.018 15.591 ( 4.422 -0.947 -11.069) 11.957 15.591 ( 4.422 -0.947 11.069) 11.957 17.647 ( 5.526 -0.578 -2.868) 6.253 17.647 ( 5.526 -0.578 2.868) 6.253======================= Grid point 780 (218/219) =======================q-point: (-0.44 0.44 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 208Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.446 ( -0.000 1.938 -0.820) 2.104 1.446 ( -0.000 1.938 0.820) 2.104 1.827 ( -0.000 10.964 -7.318) 13.181 1.827 ( -0.000 10.964 7.318) 13.181 2.299 ( -0.000 0.066 -3.444) 3.444 2.299 ( -0.000 0.066 3.444) 3.444 2.488 ( 0.000 -7.318 -2.804) 7.836 2.488 ( 0.000 -7.318 2.804) 7.836 2.639 ( -0.000 0.408 -2.490) 2.524 2.639 ( -0.000 0.408 2.490) 2.524 2.865 ( 0.000 -9.434 -6.075) 11.221 2.865 ( 0.000 -9.434 6.075) 11.221 4.300 ( -0.000 25.927 -18.888) 32.077 4.300 ( -0.000 25.927 18.888) 32.077 4.909 ( 0.000 -22.707 -12.067) 25.715 4.909 ( 0.000 -22.707 12.067) 25.715 5.462 ( -0.000 1.999 -2.959) 3.571 5.462 ( -0.000 1.999 2.959) 3.571 6.962 ( -0.000 5.582 -3.400) 6.536 6.962 ( -0.000 5.582 3.400) 6.536 7.643 ( 0.000 -0.281 -3.336) 3.348 7.643 ( 0.000 -0.281 3.336) 3.348 7.863 ( 0.000 -4.761 -3.896) 6.152 7.863 ( 0.000 -4.761 3.896) 6.152 9.040 ( 0.000 -6.860 -7.352) 10.056 9.040 ( 0.000 -6.860 7.352) 10.056 10.056 ( -0.000 4.253 -1.040) 4.378 10.056 ( -0.000 4.253 1.040) 4.378 10.811 ( 0.000 -3.615 -0.980) 3.746 10.811 ( 0.000 -3.615 0.980) 3.746 12.234 ( -0.000 5.644 -15.038) 16.062 12.234 ( -0.000 5.644 15.038) 16.062 12.788 ( -0.000 0.442 -0.626) 0.766 12.788 ( -0.000 0.442 0.626) 0.766 12.993 ( -0.000 0.255 -5.059) 5.066 12.993 ( -0.000 0.255 5.059) 5.066 14.466 ( -0.000 0.509 -5.716) 5.739 14.466 ( -0.000 0.509 5.716) 5.739 15.642 ( 0.000 -1.367 -13.137) 13.208 15.642 ( 0.000 -1.367 13.137) 13.208 17.707 ( 0.000 -1.296 -2.882) 3.160 17.707 ( 0.000 -1.296 2.882) 3.160======================= Grid point 812 (219/219) =======================q-point: ( 0.50 -0.50 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.457 ( -0.000 0.000 -0.420) 0.420 1.457 ( -0.000 0.000 0.420) 0.420 1.894 ( -0.000 0.000 -4.419) 4.419 1.894 ( -0.000 0.000 4.419) 4.419 2.299 ( -0.000 0.000 -3.471) 3.471 2.299 ( -0.000 0.000 3.471) 3.471 2.446 ( -0.000 0.000 -1.155) 1.155 2.446 ( -0.000 0.000 1.155) 1.155 2.642 ( -0.000 0.000 -2.503) 2.503 2.642 ( -0.000 0.000 2.503) 2.503 2.806 ( -0.000 0.000 -4.988) 4.988 2.806 ( -0.000 0.000 4.988) 4.988 4.532 ( 0.000 -0.000 -9.709) 9.709 4.532 ( 0.000 -0.000 9.709) 9.709 4.695 ( -0.000 0.000 -8.001) 8.001 4.695 ( -0.000 0.000 8.001) 8.001 5.474 ( -0.000 0.000 -1.332) 1.332 5.474 ( -0.000 0.000 1.332) 1.332 6.995 ( -0.000 0.000 -3.350) 3.350 6.995 ( -0.000 0.000 3.350) 3.350 7.641 ( -0.000 0.000 -3.345) 3.345 7.641 ( -0.000 0.000 3.345) 3.345 7.835 ( -0.000 0.000 -4.158) 4.158 7.835 ( -0.000 0.000 4.158) 4.158 9.001 ( -0.000 0.000 -7.177) 7.177 9.001 ( -0.000 0.000 7.177) 7.177 10.080 ( -0.000 0.000 -0.568) 0.568 10.080 ( -0.000 0.000 0.568) 0.568 10.790 ( -0.000 0.000 -0.979) 0.979 10.790 ( -0.000 0.000 0.979) 0.979 12.268 ( -0.000 0.000 -12.674) 12.674 12.268 ( -0.000 0.000 12.674) 12.674 12.791 ( -0.000 0.000 -0.630) 0.630 12.791 ( -0.000 0.000 0.630) 0.630 12.994 ( -0.000 0.000 -5.561) 5.561 12.994 ( -0.000 0.000 5.561) 5.561 14.469 ( -0.000 0.000 -5.632) 5.632 14.469 ( -0.000 0.000 5.632) 5.632 15.635 ( -0.000 0.000 -12.884) 12.884 15.635 ( -0.000 0.000 12.884) 12.884 17.700 ( -0.000 0.000 -2.522) 2.522 17.700 ( -0.000 0.000 2.522) 2.522=================== 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 3/43008 10.0 2133.282 6325.241 2643.228 0.000 0.000 -0.000 3/43008 20.0 577.041 666.857 459.837 0.000 0.000 -0.000 3/43008 30.0 260.976 216.737 174.562 0.000 0.000 -0.000 3/43008 40.0 159.738 116.418 95.864 0.000 0.000 -0.000 3/43008 50.0 112.802 77.977 63.545 0.000 0.000 -0.000 3/43008 60.0 85.370 57.920 46.562 0.000 0.000 -0.000 3/43008 70.0 67.281 45.468 36.164 0.000 0.000 -0.000 3/43008 80.0 54.595 36.970 29.187 0.000 0.000 -0.000 3/43008 90.0 45.367 30.845 24.230 0.000 0.000 -0.000 3/43008 100.0 38.472 26.267 20.568 0.000 0.000 -0.000 3/43008 110.0 33.200 22.753 17.782 0.000 0.000 -0.000 3/43008 120.0 29.087 19.995 15.611 0.000 0.000 -0.000 3/43008 130.0 25.817 17.788 13.884 0.000 0.000 -0.000 3/43008 140.0 23.173 15.993 12.485 0.000 0.000 -0.000 3/43008 150.0 21.001 14.512 11.334 0.000 0.000 -0.000 3/43008 160.0 19.192 13.272 10.373 0.000 0.000 -0.000 3/43008 170.0 17.667 12.223 9.561 0.000 0.000 -0.000 3/43008 180.0 16.365 11.325 8.868 0.000 0.000 -0.000 3/43008 190.0 15.243 10.548 8.268 0.000 0.000 -0.000 3/43008 200.0 14.266 9.871 7.746 0.000 0.000 -0.000 3/43008 210.0 13.409 9.277 7.287 0.000 0.000 -0.000 3/43008 220.0 12.651 8.750 6.881 0.000 0.000 -0.000 3/43008 230.0 11.977 8.281 6.519 0.000 0.000 -0.000 3/43008 240.0 11.372 7.860 6.194 0.000 0.000 -0.000 3/43008 250.0 10.828 7.481 5.901 0.000 0.000 -0.000 3/43008 260.0 10.335 7.138 5.635 0.000 0.000 -0.000 3/43008 270.0 9.886 6.825 5.393 0.000 0.000 -0.000 3/43008 280.0 9.475 6.539 5.172 0.000 0.000 -0.000 3/43008 290.0 9.099 6.277 4.969 0.000 0.000 -0.000 3/43008 300.0 8.752 6.036 4.781 0.000 0.000 -0.000 3/43008 310.0 8.432 5.813 4.608 0.000 0.000 -0.000 3/43008 320.0 8.135 5.607 4.447 0.000 0.000 -0.000 3/43008 330.0 7.859 5.415 4.298 0.000 0.000 -0.000 3/43008 340.0 7.601 5.236 4.158 0.000 0.000 -0.000 3/43008 350.0 7.361 5.068 4.028 0.000 0.000 -0.000 3/43008 360.0 7.135 4.912 3.905 0.000 0.000 -0.000 3/43008 370.0 6.924 4.765 3.790 0.000 0.000 -0.000 3/43008 380.0 6.725 4.627 3.682 0.000 0.000 -0.000 3/43008 390.0 6.537 4.497 3.580 0.000 0.000 -0.000 3/43008 400.0 6.360 4.374 3.484 0.000 0.000 -0.000 3/43008 410.0 6.193 4.258 3.393 0.000 0.000 -0.000 3/43008 420.0 6.034 4.148 3.307 0.000 0.000 -0.000 3/43008 430.0 5.883 4.044 3.225 0.000 0.000 -0.000 3/43008 440.0 5.740 3.945 3.147 0.000 0.000 -0.000 3/43008 450.0 5.604 3.851 3.073 0.000 0.000 -0.000 3/43008 460.0 5.475 3.761 3.002 0.000 0.000 -0.000 3/43008 470.0 5.351 3.675 2.935 0.000 0.000 -0.000 3/43008 480.0 5.233 3.594 2.870 0.000 0.000 -0.000 3/43008 490.0 5.120 3.516 2.809 0.000 0.000 -0.000 3/43008 500.0 5.012 3.441 2.750 0.000 0.000 -0.000 3/43008 510.0 4.909 3.370 2.694 0.000 0.000 -0.000 3/43008 520.0 4.810 3.301 2.639 0.000 0.000 -0.000 3/43008 530.0 4.715 3.236 2.588 0.000 0.000 -0.000 3/43008 540.0 4.623 3.173 2.538 0.000 0.000 -0.000 3/43008 550.0 4.535 3.112 2.490 0.000 0.000 -0.000 3/43008 560.0 4.451 3.054 2.443 0.000 0.000 -0.000 3/43008 570.0 4.370 2.998 2.399 0.000 0.000 -0.000 3/43008 580.0 4.291 2.944 2.356 0.000 0.000 -0.000 3/43008 590.0 4.216 2.892 2.315 0.000 0.000 -0.000 3/43008 600.0 4.143 2.841 2.275 0.000 0.000 -0.000 3/43008 610.0 4.072 2.793 2.236 0.000 0.000 -0.000 3/43008 620.0 4.004 2.746 2.199 0.000 0.000 -0.000 3/43008 630.0 3.939 2.701 2.163 0.000 0.000 -0.000 3/43008 640.0 3.875 2.657 2.128 0.000 0.000 -0.000 3/43008 650.0 3.814 2.614 2.095 0.000 0.000 -0.000 3/43008 660.0 3.754 2.573 2.062 0.000 0.000 -0.000 3/43008 670.0 3.696 2.534 2.031 0.000 0.000 -0.000 3/43008 680.0 3.640 2.495 2.000 0.000 0.000 -0.000 3/43008 690.0 3.586 2.458 1.970 0.000 0.000 -0.000 3/43008 700.0 3.533 2.422 1.941 0.000 0.000 -0.000 3/43008 710.0 3.482 2.386 1.913 0.000 0.000 -0.000 3/43008 720.0 3.433 2.352 1.886 0.000 0.000 -0.000 3/43008 730.0 3.384 2.319 1.860 0.000 0.000 -0.000 3/43008 740.0 3.338 2.287 1.834 0.000 0.000 -0.000 3/43008 750.0 3.292 2.256 1.809 0.000 0.000 -0.000 3/43008 760.0 3.248 2.225 1.785 0.000 0.000 -0.000 3/43008 770.0 3.205 2.195 1.761 0.000 0.000 -0.000 3/43008 780.0 3.163 2.167 1.738 0.000 0.000 -0.000 3/43008 790.0 3.122 2.139 1.716 0.000 0.000 -0.000 3/43008 800.0 3.082 2.111 1.694 0.000 0.000 -0.000 3/43008 810.0 3.043 2.084 1.673 0.000 0.000 -0.000 3/43008 820.0 3.005 2.058 1.652 0.000 0.000 -0.000 3/43008 830.0 2.968 2.033 1.632 0.000 0.000 -0.000 3/43008 840.0 2.932 2.008 1.612 0.000 0.000 -0.000 3/43008 850.0 2.897 1.984 1.593 0.000 0.000 -0.000 3/43008 860.0 2.863 1.961 1.574 0.000 0.000 -0.000 3/43008 870.0 2.829 1.938 1.555 0.000 0.000 -0.000 3/43008 880.0 2.797 1.915 1.537 0.000 0.000 -0.000 3/43008 890.0 2.765 1.893 1.520 0.000 0.000 -0.000 3/43008 900.0 2.733 1.872 1.503 0.000 0.000 -0.000 3/43008 910.0 2.703 1.851 1.486 0.000 0.000 -0.000 3/43008 920.0 2.673 1.830 1.470 0.000 0.000 -0.000 3/43008 930.0 2.644 1.810 1.454 0.000 0.000 -0.000 3/43008 940.0 2.615 1.791 1.438 0.000 0.000 -0.000 3/43008 950.0 2.587 1.772 1.423 0.000 0.000 -0.000 3/43008 960.0 2.560 1.753 1.408 0.000 0.000 -0.000 3/43008 970.0 2.533 1.734 1.393 0.000 0.000 -0.000 3/43008 980.0 2.507 1.716 1.379 0.000 0.000 -0.000 3/43008 990.0 2.481 1.699 1.364 0.000 0.000 -0.000 3/43008 1000.0 2.456 1.682 1.351 0.000 0.000 -0.000 3/43008Thermal conductivity related properties were written into "kappa-m16164.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-09 03:54:19]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|