----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 20:52:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [4 3 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) Number of symmetry operations in supercell: 96 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.802550263965492 0.000000000000000 0.000000000000000 b 0.000000000000000 4.476113770000000 0.000000000000000 c -0.972677958304261 0.000000000000000 5.760130861761383 Atomic positions (fractional): *1 Na 0.23905437182987 0.25000000000000 0.76792108124205 22.990 2 Na 0.76094562817013 0.75000000000000 0.23207891875795 22.990 *3 H 0.56954872249809 0.25000000000000 0.39365096828236 1.008 4 H 0.43045127750191 0.75000000000000 0.60634903171764 1.008 *5 S 0.24360762146379 0.25000000000000 0.25493577045398 32.065 6 S 0.75639237853621 0.75000000000000 0.74506422954602 32.065 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.802550263965492 0.000000000000000 0.000000000000000 b 0.000000000000000 4.476113770000000 0.000000000000000 c -0.972677958304261 0.000000000000000 5.760130861761383 Atomic positions (fractional): *1 Na 0.23905437182987 0.25000000000000 0.76792108124205 22.990 > 1 2 Na 0.76094562817013 0.75000000000000 0.23207891875795 22.990 > 2 *3 H 0.56954872249809 0.25000000000000 0.39365096828236 1.008 > 3 4 H 0.43045127750191 0.75000000000000 0.60634903171764 1.008 > 4 *5 S 0.24360762146379 0.25000000000000 0.25493577045398 32.065 > 5 6 S 0.75639237853621 0.75000000000000 0.74506422954602 32.065 > 6 -------------------------------- super cell -------------------------------- Lattice vectors: a 15.210201055861967 0.000000000000000 0.000000000000000 b 0.000000000000000 13.428341310000000 0.000000000000000 c -1.945355916608522 0.000000000000000 11.520261723522767 Atomic positions (fractional): *1 Na 0.05976359295747 0.08333333333333 0.38396054062103 22.990 > 1 2 Na 0.30976359295747 0.08333333333333 0.38396054062103 22.990 > 1 3 Na 0.55976359295747 0.08333333333333 0.38396054062103 22.990 > 1 4 Na 0.80976359295747 0.08333333333333 0.38396054062103 22.990 > 1 5 Na 0.05976359295747 0.41666666666667 0.38396054062103 22.990 > 1 6 Na 0.30976359295747 0.41666666666667 0.38396054062103 22.990 > 1 7 Na 0.55976359295747 0.41666666666667 0.38396054062103 22.990 > 1 8 Na 0.80976359295747 0.41666666666667 0.38396054062103 22.990 > 1 9 Na 0.05976359295747 0.75000000000000 0.38396054062103 22.990 > 1 10 Na 0.30976359295747 0.75000000000000 0.38396054062103 22.990 > 1 11 Na 0.55976359295747 0.75000000000000 0.38396054062103 22.990 > 1 12 Na 0.80976359295747 0.75000000000000 0.38396054062103 22.990 > 1 13 Na 0.05976359295747 0.08333333333333 0.88396054062103 22.990 > 1 14 Na 0.30976359295747 0.08333333333333 0.88396054062103 22.990 > 1 15 Na 0.55976359295747 0.08333333333333 0.88396054062103 22.990 > 1 16 Na 0.80976359295747 0.08333333333333 0.88396054062103 22.990 > 1 17 Na 0.05976359295747 0.41666666666667 0.88396054062103 22.990 > 1 18 Na 0.30976359295747 0.41666666666667 0.88396054062103 22.990 > 1 19 Na 0.55976359295747 0.41666666666667 0.88396054062103 22.990 > 1 20 Na 0.80976359295747 0.41666666666667 0.88396054062103 22.990 > 1 21 Na 0.05976359295747 0.75000000000000 0.88396054062103 22.990 > 1 22 Na 0.30976359295747 0.75000000000000 0.88396054062103 22.990 > 1 23 Na 0.55976359295747 0.75000000000000 0.88396054062103 22.990 > 1 24 Na 0.80976359295747 0.75000000000000 0.88396054062103 22.990 > 1 25 Na 0.19023640704253 0.25000000000000 0.11603945937897 22.990 > 2 26 Na 0.44023640704253 0.25000000000000 0.11603945937897 22.990 > 2 27 Na 0.69023640704253 0.25000000000000 0.11603945937897 22.990 > 2 28 Na 0.94023640704253 0.25000000000000 0.11603945937897 22.990 > 2 29 Na 0.19023640704253 0.58333333333333 0.11603945937897 22.990 > 2 30 Na 0.44023640704253 0.58333333333333 0.11603945937897 22.990 > 2 31 Na 0.69023640704253 0.58333333333333 0.11603945937897 22.990 > 2 32 Na 0.94023640704253 0.58333333333333 0.11603945937897 22.990 > 2 33 Na 0.19023640704253 0.91666666666667 0.11603945937897 22.990 > 2 34 Na 0.44023640704253 0.91666666666667 0.11603945937897 22.990 > 2 35 Na 0.69023640704253 0.91666666666667 0.11603945937897 22.990 > 2 36 Na 0.94023640704253 0.91666666666667 0.11603945937897 22.990 > 2 37 Na 0.19023640704253 0.25000000000000 0.61603945937897 22.990 > 2 38 Na 0.44023640704253 0.25000000000000 0.61603945937897 22.990 > 2 39 Na 0.69023640704253 0.25000000000000 0.61603945937897 22.990 > 2 40 Na 0.94023640704253 0.25000000000000 0.61603945937897 22.990 > 2 41 Na 0.19023640704253 0.58333333333333 0.61603945937897 22.990 > 2 42 Na 0.44023640704253 0.58333333333333 0.61603945937897 22.990 > 2 43 Na 0.69023640704253 0.58333333333333 0.61603945937897 22.990 > 2 44 Na 0.94023640704253 0.58333333333333 0.61603945937897 22.990 > 2 45 Na 0.19023640704253 0.91666666666667 0.61603945937897 22.990 > 2 46 Na 0.44023640704253 0.91666666666667 0.61603945937897 22.990 > 2 47 Na 0.69023640704253 0.91666666666667 0.61603945937897 22.990 > 2 48 Na 0.94023640704253 0.91666666666667 0.61603945937897 22.990 > 2 *49 H 0.14238718062452 0.08333333333333 0.19682548414118 1.008 > 3 50 H 0.39238718062452 0.08333333333333 0.19682548414118 1.008 > 3 51 H 0.64238718062452 0.08333333333333 0.19682548414118 1.008 > 3 52 H 0.89238718062452 0.08333333333333 0.19682548414118 1.008 > 3 53 H 0.14238718062452 0.41666666666667 0.19682548414118 1.008 > 3 54 H 0.39238718062452 0.41666666666667 0.19682548414118 1.008 > 3 55 H 0.64238718062452 0.41666666666667 0.19682548414118 1.008 > 3 56 H 0.89238718062452 0.41666666666667 0.19682548414118 1.008 > 3 57 H 0.14238718062452 0.75000000000000 0.19682548414118 1.008 > 3 58 H 0.39238718062452 0.75000000000000 0.19682548414118 1.008 > 3 59 H 0.64238718062452 0.75000000000000 0.19682548414118 1.008 > 3 60 H 0.89238718062452 0.75000000000000 0.19682548414118 1.008 > 3 61 H 0.14238718062452 0.08333333333333 0.69682548414118 1.008 > 3 62 H 0.39238718062452 0.08333333333333 0.69682548414118 1.008 > 3 63 H 0.64238718062452 0.08333333333333 0.69682548414118 1.008 > 3 64 H 0.89238718062452 0.08333333333333 0.69682548414118 1.008 > 3 65 H 0.14238718062452 0.41666666666667 0.69682548414118 1.008 > 3 66 H 0.39238718062452 0.41666666666667 0.69682548414118 1.008 > 3 67 H 0.64238718062452 0.41666666666667 0.69682548414118 1.008 > 3 68 H 0.89238718062452 0.41666666666667 0.69682548414118 1.008 > 3 69 H 0.14238718062452 0.75000000000000 0.69682548414118 1.008 > 3 70 H 0.39238718062452 0.75000000000000 0.69682548414118 1.008 > 3 71 H 0.64238718062452 0.75000000000000 0.69682548414118 1.008 > 3 72 H 0.89238718062452 0.75000000000000 0.69682548414118 1.008 > 3 73 H 0.10761281937548 0.25000000000000 0.30317451585882 1.008 > 4 74 H 0.35761281937548 0.25000000000000 0.30317451585882 1.008 > 4 75 H 0.60761281937548 0.25000000000000 0.30317451585882 1.008 > 4 76 H 0.85761281937548 0.25000000000000 0.30317451585882 1.008 > 4 77 H 0.10761281937548 0.58333333333333 0.30317451585882 1.008 > 4 78 H 0.35761281937548 0.58333333333333 0.30317451585882 1.008 > 4 79 H 0.60761281937548 0.58333333333333 0.30317451585882 1.008 > 4 80 H 0.85761281937548 0.58333333333333 0.30317451585882 1.008 > 4 81 H 0.10761281937548 0.91666666666667 0.30317451585882 1.008 > 4 82 H 0.35761281937548 0.91666666666667 0.30317451585882 1.008 > 4 83 H 0.60761281937548 0.91666666666667 0.30317451585882 1.008 > 4 84 H 0.85761281937548 0.91666666666667 0.30317451585882 1.008 > 4 85 H 0.10761281937548 0.25000000000000 0.80317451585882 1.008 > 4 86 H 0.35761281937548 0.25000000000000 0.80317451585882 1.008 > 4 87 H 0.60761281937548 0.25000000000000 0.80317451585882 1.008 > 4 88 H 0.85761281937548 0.25000000000000 0.80317451585882 1.008 > 4 89 H 0.10761281937548 0.58333333333333 0.80317451585882 1.008 > 4 90 H 0.35761281937548 0.58333333333333 0.80317451585882 1.008 > 4 91 H 0.60761281937548 0.58333333333333 0.80317451585882 1.008 > 4 92 H 0.85761281937548 0.58333333333333 0.80317451585882 1.008 > 4 93 H 0.10761281937548 0.91666666666667 0.80317451585882 1.008 > 4 94 H 0.35761281937548 0.91666666666667 0.80317451585882 1.008 > 4 95 H 0.60761281937548 0.91666666666667 0.80317451585882 1.008 > 4 96 H 0.85761281937548 0.91666666666667 0.80317451585882 1.008 > 4 *97 S 0.06090190536595 0.08333333333333 0.12746788522699 32.065 > 5 98 S 0.31090190536595 0.08333333333333 0.12746788522699 32.065 > 5 99 S 0.56090190536595 0.08333333333333 0.12746788522699 32.065 > 5 100 S 0.81090190536595 0.08333333333333 0.12746788522699 32.065 > 5 101 S 0.06090190536595 0.41666666666667 0.12746788522699 32.065 > 5 102 S 0.31090190536595 0.41666666666667 0.12746788522699 32.065 > 5 103 S 0.56090190536595 0.41666666666667 0.12746788522699 32.065 > 5 104 S 0.81090190536595 0.41666666666667 0.12746788522699 32.065 > 5 105 S 0.06090190536595 0.75000000000000 0.12746788522699 32.065 > 5 106 S 0.31090190536595 0.75000000000000 0.12746788522699 32.065 > 5 107 S 0.56090190536595 0.75000000000000 0.12746788522699 32.065 > 5 108 S 0.81090190536595 0.75000000000000 0.12746788522699 32.065 > 5 109 S 0.06090190536595 0.08333333333333 0.62746788522699 32.065 > 5 110 S 0.31090190536595 0.08333333333333 0.62746788522699 32.065 > 5 111 S 0.56090190536595 0.08333333333333 0.62746788522699 32.065 > 5 112 S 0.81090190536595 0.08333333333333 0.62746788522699 32.065 > 5 113 S 0.06090190536595 0.41666666666667 0.62746788522699 32.065 > 5 114 S 0.31090190536595 0.41666666666667 0.62746788522699 32.065 > 5 115 S 0.56090190536595 0.41666666666667 0.62746788522699 32.065 > 5 116 S 0.81090190536595 0.41666666666667 0.62746788522699 32.065 > 5 117 S 0.06090190536595 0.75000000000000 0.62746788522699 32.065 > 5 118 S 0.31090190536595 0.75000000000000 0.62746788522699 32.065 > 5 119 S 0.56090190536595 0.75000000000000 0.62746788522699 32.065 > 5 120 S 0.81090190536595 0.75000000000000 0.62746788522699 32.065 > 5 121 S 0.18909809463405 0.25000000000000 0.37253211477301 32.065 > 6 122 S 0.43909809463405 0.25000000000000 0.37253211477301 32.065 > 6 123 S 0.68909809463405 0.25000000000000 0.37253211477301 32.065 > 6 124 S 0.93909809463405 0.25000000000000 0.37253211477301 32.065 > 6 125 S 0.18909809463405 0.58333333333333 0.37253211477301 32.065 > 6 126 S 0.43909809463405 0.58333333333333 0.37253211477301 32.065 > 6 127 S 0.68909809463405 0.58333333333333 0.37253211477301 32.065 > 6 128 S 0.93909809463405 0.58333333333333 0.37253211477301 32.065 > 6 129 S 0.18909809463405 0.91666666666667 0.37253211477301 32.065 > 6 130 S 0.43909809463405 0.91666666666667 0.37253211477301 32.065 > 6 131 S 0.68909809463405 0.91666666666667 0.37253211477301 32.065 > 6 132 S 0.93909809463405 0.91666666666667 0.37253211477301 32.065 > 6 133 S 0.18909809463405 0.25000000000000 0.87253211477301 32.065 > 6 134 S 0.43909809463405 0.25000000000000 0.87253211477301 32.065 > 6 135 S 0.68909809463405 0.25000000000000 0.87253211477301 32.065 > 6 136 S 0.93909809463405 0.25000000000000 0.87253211477301 32.065 > 6 137 S 0.18909809463405 0.58333333333333 0.87253211477301 32.065 > 6 138 S 0.43909809463405 0.58333333333333 0.87253211477301 32.065 > 6 139 S 0.68909809463405 0.58333333333333 0.87253211477301 32.065 > 6 140 S 0.93909809463405 0.58333333333333 0.87253211477301 32.065 > 6 141 S 0.18909809463405 0.91666666666667 0.87253211477301 32.065 > 6 142 S 0.43909809463405 0.91666666666667 0.87253211477301 32.065 > 6 143 S 0.68909809463405 0.91666666666667 0.87253211477301 32.065 > 6 144 S 0.93909809463405 0.91666666666667 0.87253211477301 32.065 > 6 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.6386930 0.0000000 -0.1375806 0.0000000 3.6152440 0.0000000 -0.1375838 0.0000000 3.4481851 -------------------------- Born effective charges -------------------------- 1 Na 1.0816591 0.0000000 -0.0347087 0.0000000 1.1590603 0.0000000 -0.0329263 0.0000000 1.1035418 2 Na 1.0816591 0.0000000 -0.0347087 0.0000000 1.1590603 0.0000000 -0.0329263 0.0000000 1.1035418 3 H 0.2368222 0.0000000 -0.0019066 0.0000000 0.1802476 0.0000000 -0.0244576 0.0000000 0.1103838 4 H 0.2368222 0.0000000 -0.0019066 0.0000000 0.1802476 0.0000000 -0.0244576 0.0000000 0.1103838 5 S -1.3184814 0.0000000 0.0366153 0.0000000 -1.3393079 0.0000000 0.0573839 0.0000000 -1.2139256 6 S -1.3184814 0.0000000 0.0366153 0.0000000 -1.3393079 0.0000000 0.0573839 0.0000000 -1.2139256 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 4500/4500 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1116 Number of blocks in projector: 1116 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 180 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 180 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 180 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 144 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 144 Use standard eigh solver. Tree of FC basis block matrices: - (1116, 1102), data: False |-- (144, 144), data: True |-- (144, 144), data: True |-- (180, 177), data: True |-- (180, 177), data: True |-- (180, 177), data: True |-- (288, 283), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 240 - Time: 1.711 Solver_block: 200 / 240 - Time: 1.669 Solver_block: 240 / 240 - Time: 0.729 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.136 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 432/432 Permutation basis: 4500/4500 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1116 Number of blocks in projector: 1116 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 180 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 180 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 180 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 144 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 144 Use standard eigh solver. Tree of FC basis block matrices: - (1116, 1102), data: False |-- (144, 144), data: True |-- (144, 144), data: True |-- (180, 177), data: True |-- (180, 177), data: True |-- (180, 177), data: True |-- (288, 283), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 20:53:06]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 20:53:07]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [4 3 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.802550263965492 0.000000000000000 0.000000000000000 b 0.000000000000000 4.476113770000000 0.000000000000000 c -0.972677958304261 0.000000000000000 5.760130861761383 Atomic positions (fractional): 1 Na 0.23905437182987 0.25000000000000 0.76792108124205 22.990 2 Na 0.76094562817013 0.75000000000000 0.23207891875795 22.990 3 H 0.56954872249809 0.25000000000000 0.39365096828236 1.008 4 H 0.43045127750191 0.75000000000000 0.60634903171764 1.008 5 S 0.24360762146379 0.25000000000000 0.25493577045398 32.065 6 S 0.75639237853621 0.75000000000000 0.74506422954602 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.210201055861967 0.000000000000000 0.000000000000000 b 0.000000000000000 13.428341310000000 0.000000000000000 c -1.945355916608522 0.000000000000000 11.520261723522767 Atomic positions (fractional): 1 Na 0.05976359295747 0.08333333333333 0.38396054062103 22.990 > 1 2 Na 0.30976359295747 0.08333333333333 0.38396054062103 22.990 > 1 3 Na 0.55976359295747 0.08333333333333 0.38396054062103 22.990 > 1 4 Na 0.80976359295747 0.08333333333333 0.38396054062103 22.990 > 1 5 Na 0.05976359295747 0.41666666666667 0.38396054062103 22.990 > 1 6 Na 0.30976359295747 0.41666666666667 0.38396054062103 22.990 > 1 7 Na 0.55976359295747 0.41666666666667 0.38396054062103 22.990 > 1 8 Na 0.80976359295747 0.41666666666667 0.38396054062103 22.990 > 1 9 Na 0.05976359295747 0.75000000000000 0.38396054062103 22.990 > 1 10 Na 0.30976359295747 0.75000000000000 0.38396054062103 22.990 > 1 11 Na 0.55976359295747 0.75000000000000 0.38396054062103 22.990 > 1 12 Na 0.80976359295747 0.75000000000000 0.38396054062103 22.990 > 1 13 Na 0.05976359295747 0.08333333333333 0.88396054062103 22.990 > 1 14 Na 0.30976359295747 0.08333333333333 0.88396054062103 22.990 > 1 15 Na 0.55976359295747 0.08333333333333 0.88396054062103 22.990 > 1 16 Na 0.80976359295747 0.08333333333333 0.88396054062103 22.990 > 1 17 Na 0.05976359295747 0.41666666666667 0.88396054062103 22.990 > 1 18 Na 0.30976359295747 0.41666666666667 0.88396054062103 22.990 > 1 19 Na 0.55976359295747 0.41666666666667 0.88396054062103 22.990 > 1 20 Na 0.80976359295747 0.41666666666667 0.88396054062103 22.990 > 1 21 Na 0.05976359295747 0.75000000000000 0.88396054062103 22.990 > 1 22 Na 0.30976359295747 0.75000000000000 0.88396054062103 22.990 > 1 23 Na 0.55976359295747 0.75000000000000 0.88396054062103 22.990 > 1 24 Na 0.80976359295747 0.75000000000000 0.88396054062103 22.990 > 1 25 Na 0.19023640704253 0.25000000000000 0.11603945937897 22.990 > 25 26 Na 0.44023640704253 0.25000000000000 0.11603945937897 22.990 > 25 27 Na 0.69023640704253 0.25000000000000 0.11603945937897 22.990 > 25 28 Na 0.94023640704253 0.25000000000000 0.11603945937897 22.990 > 25 29 Na 0.19023640704253 0.58333333333333 0.11603945937897 22.990 > 25 30 Na 0.44023640704253 0.58333333333333 0.11603945937897 22.990 > 25 31 Na 0.69023640704253 0.58333333333333 0.11603945937897 22.990 > 25 32 Na 0.94023640704253 0.58333333333333 0.11603945937897 22.990 > 25 33 Na 0.19023640704253 0.91666666666667 0.11603945937897 22.990 > 25 34 Na 0.44023640704253 0.91666666666667 0.11603945937897 22.990 > 25 35 Na 0.69023640704253 0.91666666666667 0.11603945937897 22.990 > 25 36 Na 0.94023640704253 0.91666666666667 0.11603945937897 22.990 > 25 37 Na 0.19023640704253 0.25000000000000 0.61603945937897 22.990 > 25 38 Na 0.44023640704253 0.25000000000000 0.61603945937897 22.990 > 25 39 Na 0.69023640704253 0.25000000000000 0.61603945937897 22.990 > 25 40 Na 0.94023640704253 0.25000000000000 0.61603945937897 22.990 > 25 41 Na 0.19023640704253 0.58333333333333 0.61603945937897 22.990 > 25 42 Na 0.44023640704253 0.58333333333333 0.61603945937897 22.990 > 25 43 Na 0.69023640704253 0.58333333333333 0.61603945937897 22.990 > 25 44 Na 0.94023640704253 0.58333333333333 0.61603945937897 22.990 > 25 45 Na 0.19023640704253 0.91666666666667 0.61603945937897 22.990 > 25 46 Na 0.44023640704253 0.91666666666667 0.61603945937897 22.990 > 25 47 Na 0.69023640704253 0.91666666666667 0.61603945937897 22.990 > 25 48 Na 0.94023640704253 0.91666666666667 0.61603945937897 22.990 > 25 49 H 0.14238718062452 0.08333333333333 0.19682548414118 1.008 > 49 50 H 0.39238718062452 0.08333333333333 0.19682548414118 1.008 > 49 51 H 0.64238718062452 0.08333333333333 0.19682548414118 1.008 > 49 52 H 0.89238718062452 0.08333333333333 0.19682548414118 1.008 > 49 53 H 0.14238718062452 0.41666666666667 0.19682548414118 1.008 > 49 54 H 0.39238718062452 0.41666666666667 0.19682548414118 1.008 > 49 55 H 0.64238718062452 0.41666666666667 0.19682548414118 1.008 > 49 56 H 0.89238718062452 0.41666666666667 0.19682548414118 1.008 > 49 57 H 0.14238718062452 0.75000000000000 0.19682548414118 1.008 > 49 58 H 0.39238718062452 0.75000000000000 0.19682548414118 1.008 > 49 59 H 0.64238718062452 0.75000000000000 0.19682548414118 1.008 > 49 60 H 0.89238718062452 0.75000000000000 0.19682548414118 1.008 > 49 61 H 0.14238718062452 0.08333333333333 0.69682548414118 1.008 > 49 62 H 0.39238718062452 0.08333333333333 0.69682548414118 1.008 > 49 63 H 0.64238718062452 0.08333333333333 0.69682548414118 1.008 > 49 64 H 0.89238718062452 0.08333333333333 0.69682548414118 1.008 > 49 65 H 0.14238718062452 0.41666666666667 0.69682548414118 1.008 > 49 66 H 0.39238718062452 0.41666666666667 0.69682548414118 1.008 > 49 67 H 0.64238718062452 0.41666666666667 0.69682548414118 1.008 > 49 68 H 0.89238718062452 0.41666666666667 0.69682548414118 1.008 > 49 69 H 0.14238718062452 0.75000000000000 0.69682548414118 1.008 > 49 70 H 0.39238718062452 0.75000000000000 0.69682548414118 1.008 > 49 71 H 0.64238718062452 0.75000000000000 0.69682548414118 1.008 > 49 72 H 0.89238718062452 0.75000000000000 0.69682548414118 1.008 > 49 73 H 0.10761281937548 0.25000000000000 0.30317451585882 1.008 > 73 74 H 0.35761281937548 0.25000000000000 0.30317451585882 1.008 > 73 75 H 0.60761281937548 0.25000000000000 0.30317451585882 1.008 > 73 76 H 0.85761281937548 0.25000000000000 0.30317451585882 1.008 > 73 77 H 0.10761281937548 0.58333333333333 0.30317451585882 1.008 > 73 78 H 0.35761281937548 0.58333333333333 0.30317451585882 1.008 > 73 79 H 0.60761281937548 0.58333333333333 0.30317451585882 1.008 > 73 80 H 0.85761281937548 0.58333333333333 0.30317451585882 1.008 > 73 81 H 0.10761281937548 0.91666666666667 0.30317451585882 1.008 > 73 82 H 0.35761281937548 0.91666666666667 0.30317451585882 1.008 > 73 83 H 0.60761281937548 0.91666666666667 0.30317451585882 1.008 > 73 84 H 0.85761281937548 0.91666666666667 0.30317451585882 1.008 > 73 85 H 0.10761281937548 0.25000000000000 0.80317451585882 1.008 > 73 86 H 0.35761281937548 0.25000000000000 0.80317451585882 1.008 > 73 87 H 0.60761281937548 0.25000000000000 0.80317451585882 1.008 > 73 88 H 0.85761281937548 0.25000000000000 0.80317451585882 1.008 > 73 89 H 0.10761281937548 0.58333333333333 0.80317451585882 1.008 > 73 90 H 0.35761281937548 0.58333333333333 0.80317451585882 1.008 > 73 91 H 0.60761281937548 0.58333333333333 0.80317451585882 1.008 > 73 92 H 0.85761281937548 0.58333333333333 0.80317451585882 1.008 > 73 93 H 0.10761281937548 0.91666666666667 0.80317451585882 1.008 > 73 94 H 0.35761281937548 0.91666666666667 0.80317451585882 1.008 > 73 95 H 0.60761281937548 0.91666666666667 0.80317451585882 1.008 > 73 96 H 0.85761281937548 0.91666666666667 0.80317451585882 1.008 > 73 97 S 0.06090190536595 0.08333333333333 0.12746788522699 32.065 > 97 98 S 0.31090190536595 0.08333333333333 0.12746788522699 32.065 > 97 99 S 0.56090190536595 0.08333333333333 0.12746788522699 32.065 > 97 100 S 0.81090190536595 0.08333333333333 0.12746788522699 32.065 > 97 101 S 0.06090190536595 0.41666666666667 0.12746788522699 32.065 > 97 102 S 0.31090190536595 0.41666666666667 0.12746788522699 32.065 > 97 103 S 0.56090190536595 0.41666666666667 0.12746788522699 32.065 > 97 104 S 0.81090190536595 0.41666666666667 0.12746788522699 32.065 > 97 105 S 0.06090190536595 0.75000000000000 0.12746788522699 32.065 > 97 106 S 0.31090190536595 0.75000000000000 0.12746788522699 32.065 > 97 107 S 0.56090190536595 0.75000000000000 0.12746788522699 32.065 > 97 108 S 0.81090190536595 0.75000000000000 0.12746788522699 32.065 > 97 109 S 0.06090190536595 0.08333333333333 0.62746788522699 32.065 > 97 110 S 0.31090190536595 0.08333333333333 0.62746788522699 32.065 > 97 111 S 0.56090190536595 0.08333333333333 0.62746788522699 32.065 > 97 112 S 0.81090190536595 0.08333333333333 0.62746788522699 32.065 > 97 113 S 0.06090190536595 0.41666666666667 0.62746788522699 32.065 > 97 114 S 0.31090190536595 0.41666666666667 0.62746788522699 32.065 > 97 115 S 0.56090190536595 0.41666666666667 0.62746788522699 32.065 > 97 116 S 0.81090190536595 0.41666666666667 0.62746788522699 32.065 > 97 117 S 0.06090190536595 0.75000000000000 0.62746788522699 32.065 > 97 118 S 0.31090190536595 0.75000000000000 0.62746788522699 32.065 > 97 119 S 0.56090190536595 0.75000000000000 0.62746788522699 32.065 > 97 120 S 0.81090190536595 0.75000000000000 0.62746788522699 32.065 > 97 121 S 0.18909809463405 0.25000000000000 0.37253211477301 32.065 > 121 122 S 0.43909809463405 0.25000000000000 0.37253211477301 32.065 > 121 123 S 0.68909809463405 0.25000000000000 0.37253211477301 32.065 > 121 124 S 0.93909809463405 0.25000000000000 0.37253211477301 32.065 > 121 125 S 0.18909809463405 0.58333333333333 0.37253211477301 32.065 > 121 126 S 0.43909809463405 0.58333333333333 0.37253211477301 32.065 > 121 127 S 0.68909809463405 0.58333333333333 0.37253211477301 32.065 > 121 128 S 0.93909809463405 0.58333333333333 0.37253211477301 32.065 > 121 129 S 0.18909809463405 0.91666666666667 0.37253211477301 32.065 > 121 130 S 0.43909809463405 0.91666666666667 0.37253211477301 32.065 > 121 131 S 0.68909809463405 0.91666666666667 0.37253211477301 32.065 > 121 132 S 0.93909809463405 0.91666666666667 0.37253211477301 32.065 > 121 133 S 0.18909809463405 0.25000000000000 0.87253211477301 32.065 > 121 134 S 0.43909809463405 0.25000000000000 0.87253211477301 32.065 > 121 135 S 0.68909809463405 0.25000000000000 0.87253211477301 32.065 > 121 136 S 0.93909809463405 0.25000000000000 0.87253211477301 32.065 > 121 137 S 0.18909809463405 0.58333333333333 0.87253211477301 32.065 > 121 138 S 0.43909809463405 0.58333333333333 0.87253211477301 32.065 > 121 139 S 0.68909809463405 0.58333333333333 0.87253211477301 32.065 > 121 140 S 0.93909809463405 0.58333333333333 0.87253211477301 32.065 > 121 141 S 0.18909809463405 0.91666666666667 0.87253211477301 32.065 > 121 142 S 0.43909809463405 0.91666666666667 0.87253211477301 32.065 > 121 143 S 0.68909809463405 0.91666666666667 0.87253211477301 32.065 > 121 144 S 0.93909809463405 0.91666666666667 0.87253211477301 32.065 > 121 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.6386930 0.0000000 -0.1375806 0.0000000 3.6152440 0.0000000 -0.1375838 0.0000000 3.4481851 -------------------------- Born effective charges -------------------------- 1 Na 1.0816591 0.0000000 -0.0347087 0.0000000 1.1590603 0.0000000 -0.0329263 0.0000000 1.1035418 2 Na 1.0816591 0.0000000 -0.0347087 0.0000000 1.1590603 0.0000000 -0.0329263 0.0000000 1.1035418 3 H 0.2368222 0.0000000 -0.0019066 0.0000000 0.1802476 0.0000000 -0.0244576 0.0000000 0.1103838 4 H 0.2368222 0.0000000 -0.0019066 0.0000000 0.1802476 0.0000000 -0.0244576 0.0000000 0.1103838 5 S -1.3184814 0.0000000 0.0366153 0.0000000 -1.3393079 0.0000000 0.0573839 0.0000000 -1.2139256 6 S -1.3184814 0.0000000 0.0366153 0.0000000 -1.3393079 0.0000000 0.0573839 0.0000000 -1.2139256 ---------------------------------------------------------------------------- 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] [-0.0017 0.0000 0.0099] [ 0.0017 0.0000 -0.0099] 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] [-0.0017 0.0000 0.0099] [ 0.0017 0.0000 -0.0099] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0017 0.0000 0.0099] [ 0.0017 0.0000 -0.0099] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zx) 0.00000000 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 20:53:21]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 20:53:21]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [4 3 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.802550263965492 0.000000000000000 0.000000000000000 b 0.000000000000000 4.476113770000000 0.000000000000000 c -0.972677958304261 0.000000000000000 5.760130861761383 Atomic positions (fractional): 1 Na 0.23905437182987 0.25000000000000 0.76792108124205 22.990 2 Na 0.76094562817013 0.75000000000000 0.23207891875795 22.990 3 H 0.56954872249809 0.25000000000000 0.39365096828236 1.008 4 H 0.43045127750191 0.75000000000000 0.60634903171764 1.008 5 S 0.24360762146379 0.25000000000000 0.25493577045398 32.065 6 S 0.75639237853621 0.75000000000000 0.74506422954602 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.210201055861967 0.000000000000000 0.000000000000000 b 0.000000000000000 13.428341310000000 0.000000000000000 c -1.945355916608522 0.000000000000000 11.520261723522767 Atomic positions (fractional): 1 Na 0.05976359295747 0.08333333333333 0.38396054062103 22.990 > 1 2 Na 0.30976359295747 0.08333333333333 0.38396054062103 22.990 > 1 3 Na 0.55976359295747 0.08333333333333 0.38396054062103 22.990 > 1 4 Na 0.80976359295747 0.08333333333333 0.38396054062103 22.990 > 1 5 Na 0.05976359295747 0.41666666666667 0.38396054062103 22.990 > 1 6 Na 0.30976359295747 0.41666666666667 0.38396054062103 22.990 > 1 7 Na 0.55976359295747 0.41666666666667 0.38396054062103 22.990 > 1 8 Na 0.80976359295747 0.41666666666667 0.38396054062103 22.990 > 1 9 Na 0.05976359295747 0.75000000000000 0.38396054062103 22.990 > 1 10 Na 0.30976359295747 0.75000000000000 0.38396054062103 22.990 > 1 11 Na 0.55976359295747 0.75000000000000 0.38396054062103 22.990 > 1 12 Na 0.80976359295747 0.75000000000000 0.38396054062103 22.990 > 1 13 Na 0.05976359295747 0.08333333333333 0.88396054062103 22.990 > 1 14 Na 0.30976359295747 0.08333333333333 0.88396054062103 22.990 > 1 15 Na 0.55976359295747 0.08333333333333 0.88396054062103 22.990 > 1 16 Na 0.80976359295747 0.08333333333333 0.88396054062103 22.990 > 1 17 Na 0.05976359295747 0.41666666666667 0.88396054062103 22.990 > 1 18 Na 0.30976359295747 0.41666666666667 0.88396054062103 22.990 > 1 19 Na 0.55976359295747 0.41666666666667 0.88396054062103 22.990 > 1 20 Na 0.80976359295747 0.41666666666667 0.88396054062103 22.990 > 1 21 Na 0.05976359295747 0.75000000000000 0.88396054062103 22.990 > 1 22 Na 0.30976359295747 0.75000000000000 0.88396054062103 22.990 > 1 23 Na 0.55976359295747 0.75000000000000 0.88396054062103 22.990 > 1 24 Na 0.80976359295747 0.75000000000000 0.88396054062103 22.990 > 1 25 Na 0.19023640704253 0.25000000000000 0.11603945937897 22.990 > 25 26 Na 0.44023640704253 0.25000000000000 0.11603945937897 22.990 > 25 27 Na 0.69023640704253 0.25000000000000 0.11603945937897 22.990 > 25 28 Na 0.94023640704253 0.25000000000000 0.11603945937897 22.990 > 25 29 Na 0.19023640704253 0.58333333333333 0.11603945937897 22.990 > 25 30 Na 0.44023640704253 0.58333333333333 0.11603945937897 22.990 > 25 31 Na 0.69023640704253 0.58333333333333 0.11603945937897 22.990 > 25 32 Na 0.94023640704253 0.58333333333333 0.11603945937897 22.990 > 25 33 Na 0.19023640704253 0.91666666666667 0.11603945937897 22.990 > 25 34 Na 0.44023640704253 0.91666666666667 0.11603945937897 22.990 > 25 35 Na 0.69023640704253 0.91666666666667 0.11603945937897 22.990 > 25 36 Na 0.94023640704253 0.91666666666667 0.11603945937897 22.990 > 25 37 Na 0.19023640704253 0.25000000000000 0.61603945937897 22.990 > 25 38 Na 0.44023640704253 0.25000000000000 0.61603945937897 22.990 > 25 39 Na 0.69023640704253 0.25000000000000 0.61603945937897 22.990 > 25 40 Na 0.94023640704253 0.25000000000000 0.61603945937897 22.990 > 25 41 Na 0.19023640704253 0.58333333333333 0.61603945937897 22.990 > 25 42 Na 0.44023640704253 0.58333333333333 0.61603945937897 22.990 > 25 43 Na 0.69023640704253 0.58333333333333 0.61603945937897 22.990 > 25 44 Na 0.94023640704253 0.58333333333333 0.61603945937897 22.990 > 25 45 Na 0.19023640704253 0.91666666666667 0.61603945937897 22.990 > 25 46 Na 0.44023640704253 0.91666666666667 0.61603945937897 22.990 > 25 47 Na 0.69023640704253 0.91666666666667 0.61603945937897 22.990 > 25 48 Na 0.94023640704253 0.91666666666667 0.61603945937897 22.990 > 25 49 H 0.14238718062452 0.08333333333333 0.19682548414118 1.008 > 49 50 H 0.39238718062452 0.08333333333333 0.19682548414118 1.008 > 49 51 H 0.64238718062452 0.08333333333333 0.19682548414118 1.008 > 49 52 H 0.89238718062452 0.08333333333333 0.19682548414118 1.008 > 49 53 H 0.14238718062452 0.41666666666667 0.19682548414118 1.008 > 49 54 H 0.39238718062452 0.41666666666667 0.19682548414118 1.008 > 49 55 H 0.64238718062452 0.41666666666667 0.19682548414118 1.008 > 49 56 H 0.89238718062452 0.41666666666667 0.19682548414118 1.008 > 49 57 H 0.14238718062452 0.75000000000000 0.19682548414118 1.008 > 49 58 H 0.39238718062452 0.75000000000000 0.19682548414118 1.008 > 49 59 H 0.64238718062452 0.75000000000000 0.19682548414118 1.008 > 49 60 H 0.89238718062452 0.75000000000000 0.19682548414118 1.008 > 49 61 H 0.14238718062452 0.08333333333333 0.69682548414118 1.008 > 49 62 H 0.39238718062452 0.08333333333333 0.69682548414118 1.008 > 49 63 H 0.64238718062452 0.08333333333333 0.69682548414118 1.008 > 49 64 H 0.89238718062452 0.08333333333333 0.69682548414118 1.008 > 49 65 H 0.14238718062452 0.41666666666667 0.69682548414118 1.008 > 49 66 H 0.39238718062452 0.41666666666667 0.69682548414118 1.008 > 49 67 H 0.64238718062452 0.41666666666667 0.69682548414118 1.008 > 49 68 H 0.89238718062452 0.41666666666667 0.69682548414118 1.008 > 49 69 H 0.14238718062452 0.75000000000000 0.69682548414118 1.008 > 49 70 H 0.39238718062452 0.75000000000000 0.69682548414118 1.008 > 49 71 H 0.64238718062452 0.75000000000000 0.69682548414118 1.008 > 49 72 H 0.89238718062452 0.75000000000000 0.69682548414118 1.008 > 49 73 H 0.10761281937548 0.25000000000000 0.30317451585882 1.008 > 73 74 H 0.35761281937548 0.25000000000000 0.30317451585882 1.008 > 73 75 H 0.60761281937548 0.25000000000000 0.30317451585882 1.008 > 73 76 H 0.85761281937548 0.25000000000000 0.30317451585882 1.008 > 73 77 H 0.10761281937548 0.58333333333333 0.30317451585882 1.008 > 73 78 H 0.35761281937548 0.58333333333333 0.30317451585882 1.008 > 73 79 H 0.60761281937548 0.58333333333333 0.30317451585882 1.008 > 73 80 H 0.85761281937548 0.58333333333333 0.30317451585882 1.008 > 73 81 H 0.10761281937548 0.91666666666667 0.30317451585882 1.008 > 73 82 H 0.35761281937548 0.91666666666667 0.30317451585882 1.008 > 73 83 H 0.60761281937548 0.91666666666667 0.30317451585882 1.008 > 73 84 H 0.85761281937548 0.91666666666667 0.30317451585882 1.008 > 73 85 H 0.10761281937548 0.25000000000000 0.80317451585882 1.008 > 73 86 H 0.35761281937548 0.25000000000000 0.80317451585882 1.008 > 73 87 H 0.60761281937548 0.25000000000000 0.80317451585882 1.008 > 73 88 H 0.85761281937548 0.25000000000000 0.80317451585882 1.008 > 73 89 H 0.10761281937548 0.58333333333333 0.80317451585882 1.008 > 73 90 H 0.35761281937548 0.58333333333333 0.80317451585882 1.008 > 73 91 H 0.60761281937548 0.58333333333333 0.80317451585882 1.008 > 73 92 H 0.85761281937548 0.58333333333333 0.80317451585882 1.008 > 73 93 H 0.10761281937548 0.91666666666667 0.80317451585882 1.008 > 73 94 H 0.35761281937548 0.91666666666667 0.80317451585882 1.008 > 73 95 H 0.60761281937548 0.91666666666667 0.80317451585882 1.008 > 73 96 H 0.85761281937548 0.91666666666667 0.80317451585882 1.008 > 73 97 S 0.06090190536595 0.08333333333333 0.12746788522699 32.065 > 97 98 S 0.31090190536595 0.08333333333333 0.12746788522699 32.065 > 97 99 S 0.56090190536595 0.08333333333333 0.12746788522699 32.065 > 97 100 S 0.81090190536595 0.08333333333333 0.12746788522699 32.065 > 97 101 S 0.06090190536595 0.41666666666667 0.12746788522699 32.065 > 97 102 S 0.31090190536595 0.41666666666667 0.12746788522699 32.065 > 97 103 S 0.56090190536595 0.41666666666667 0.12746788522699 32.065 > 97 104 S 0.81090190536595 0.41666666666667 0.12746788522699 32.065 > 97 105 S 0.06090190536595 0.75000000000000 0.12746788522699 32.065 > 97 106 S 0.31090190536595 0.75000000000000 0.12746788522699 32.065 > 97 107 S 0.56090190536595 0.75000000000000 0.12746788522699 32.065 > 97 108 S 0.81090190536595 0.75000000000000 0.12746788522699 32.065 > 97 109 S 0.06090190536595 0.08333333333333 0.62746788522699 32.065 > 97 110 S 0.31090190536595 0.08333333333333 0.62746788522699 32.065 > 97 111 S 0.56090190536595 0.08333333333333 0.62746788522699 32.065 > 97 112 S 0.81090190536595 0.08333333333333 0.62746788522699 32.065 > 97 113 S 0.06090190536595 0.41666666666667 0.62746788522699 32.065 > 97 114 S 0.31090190536595 0.41666666666667 0.62746788522699 32.065 > 97 115 S 0.56090190536595 0.41666666666667 0.62746788522699 32.065 > 97 116 S 0.81090190536595 0.41666666666667 0.62746788522699 32.065 > 97 117 S 0.06090190536595 0.75000000000000 0.62746788522699 32.065 > 97 118 S 0.31090190536595 0.75000000000000 0.62746788522699 32.065 > 97 119 S 0.56090190536595 0.75000000000000 0.62746788522699 32.065 > 97 120 S 0.81090190536595 0.75000000000000 0.62746788522699 32.065 > 97 121 S 0.18909809463405 0.25000000000000 0.37253211477301 32.065 > 121 122 S 0.43909809463405 0.25000000000000 0.37253211477301 32.065 > 121 123 S 0.68909809463405 0.25000000000000 0.37253211477301 32.065 > 121 124 S 0.93909809463405 0.25000000000000 0.37253211477301 32.065 > 121 125 S 0.18909809463405 0.58333333333333 0.37253211477301 32.065 > 121 126 S 0.43909809463405 0.58333333333333 0.37253211477301 32.065 > 121 127 S 0.68909809463405 0.58333333333333 0.37253211477301 32.065 > 121 128 S 0.93909809463405 0.58333333333333 0.37253211477301 32.065 > 121 129 S 0.18909809463405 0.91666666666667 0.37253211477301 32.065 > 121 130 S 0.43909809463405 0.91666666666667 0.37253211477301 32.065 > 121 131 S 0.68909809463405 0.91666666666667 0.37253211477301 32.065 > 121 132 S 0.93909809463405 0.91666666666667 0.37253211477301 32.065 > 121 133 S 0.18909809463405 0.25000000000000 0.87253211477301 32.065 > 121 134 S 0.43909809463405 0.25000000000000 0.87253211477301 32.065 > 121 135 S 0.68909809463405 0.25000000000000 0.87253211477301 32.065 > 121 136 S 0.93909809463405 0.25000000000000 0.87253211477301 32.065 > 121 137 S 0.18909809463405 0.58333333333333 0.87253211477301 32.065 > 121 138 S 0.43909809463405 0.58333333333333 0.87253211477301 32.065 > 121 139 S 0.68909809463405 0.58333333333333 0.87253211477301 32.065 > 121 140 S 0.93909809463405 0.58333333333333 0.87253211477301 32.065 > 121 141 S 0.18909809463405 0.91666666666667 0.87253211477301 32.065 > 121 142 S 0.43909809463405 0.91666666666667 0.87253211477301 32.065 > 121 143 S 0.68909809463405 0.91666666666667 0.87253211477301 32.065 > 121 144 S 0.93909809463405 0.91666666666667 0.87253211477301 32.065 > 121 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.6386930 0.0000000 -0.1375806 0.0000000 3.6152440 0.0000000 -0.1375838 0.0000000 3.4481851 -------------------------- Born effective charges -------------------------- 1 Na 1.0816591 0.0000000 -0.0347087 0.0000000 1.1590603 0.0000000 -0.0329263 0.0000000 1.1035418 2 Na 1.0816591 0.0000000 -0.0347087 0.0000000 1.1590603 0.0000000 -0.0329263 0.0000000 1.1035418 3 H 0.2368222 0.0000000 -0.0019066 0.0000000 0.1802476 0.0000000 -0.0244576 0.0000000 0.1103838 4 H 0.2368222 0.0000000 -0.0019066 0.0000000 0.1802476 0.0000000 -0.0244576 0.0000000 0.1103838 5 S -1.3184814 0.0000000 0.0366153 0.0000000 -1.3393079 0.0000000 0.0573839 0.0000000 -1.2139256 6 S -1.3184814 0.0000000 0.0366153 0.0000000 -1.3393079 0.0000000 0.0573839 0.0000000 -1.2139256 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 13 11 9 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.90, Number of G-points: 297, Lambda: 0.18 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/354) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.241 ( 0.000 0.000 0.000) 0.000 3.004 ( 0.000 0.000 0.000) 0.000 3.836 ( 0.000 0.000 0.000) 0.000 3.851 ( 0.000 0.000 0.000) 0.000 4.383 ( 0.000 0.000 0.000) 0.000 5.185 ( 0.000 0.000 0.000) 0.000 5.348 ( 0.000 0.000 0.000) 0.000 5.721 ( 0.000 0.000 0.000) 0.000 5.745 ( 0.000 0.000 0.000) 0.000 10.831 ( 0.000 0.000 0.000) 0.000 13.814 ( 0.000 0.000 0.000) 0.000 14.074 ( 0.000 0.000 0.000) 0.000 15.142 ( 0.000 0.000 0.000) 0.000 75.093 ( 0.000 0.000 0.000) 0.000 75.213 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/354) ======================= q-point: ( 0.08 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.471 ( 22.956 0.000 2.611) 23.104 0.594 ( 27.771 0.000 8.770) 29.122 0.927 ( 42.536 0.000 14.422) 44.914 2.177 ( -5.035 0.000 -4.608) 6.826 3.122 ( 11.448 0.000 -1.841) 11.595 3.832 ( -1.615 0.000 -1.416) 2.148 4.385 ( -0.597 0.000 3.737) 3.784 4.956 ( -8.917 0.000 65.268) 65.874 5.168 ( -2.010 0.000 1.011) 2.250 5.685 ( -5.803 0.000 -0.373) 5.815 5.708 ( -1.393 0.000 0.379) 1.444 6.348 ( 9.441 0.000 -62.228) 62.940 10.974 ( 12.414 0.000 8.044) 14.793 13.511 ( -28.825 0.000 -6.843) 29.626 13.997 ( -20.945 0.000 -8.359) 22.551 15.134 ( 0.554 0.000 -7.838) 7.857 75.177 ( -0.334 0.000 1.483) 1.521 75.226 ( 1.260 0.000 -0.303) 1.296 ======================= Grid point 2 (3/354) ======================= q-point: ( 0.15 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.946 ( 22.906 0.000 3.269) 23.138 1.181 ( 27.353 0.000 7.586) 28.385 1.803 ( 38.800 0.000 14.358) 41.372 2.046 ( -4.764 0.000 -6.869) 8.359 3.415 ( 16.985 0.000 -3.640) 17.371 3.779 ( -2.655 0.000 -2.754) 3.825 4.372 ( -2.325 0.000 5.114) 5.618 5.016 ( -0.824 0.000 27.145) 27.158 5.101 ( -5.145 0.000 1.332) 5.314 5.513 ( -10.841 0.000 -0.491) 10.852 5.669 ( -2.586 0.000 1.040) 2.788 6.311 ( 2.085 0.000 -29.047) 29.122 11.362 ( 21.299 0.000 14.505) 25.769 12.645 ( -52.284 0.000 -4.651) 52.490 13.398 ( -34.579 0.000 -6.617) 35.206 15.113 ( 1.200 0.000 -14.552) 14.602 75.182 ( 0.613 0.000 0.493) 0.787 75.261 ( 2.305 0.000 -0.190) 2.313 ======================= Grid point 3 (4/354) ======================= q-point: ( 0.23 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.414 ( 22.103 0.000 3.673) 22.407 1.737 ( 24.166 0.000 4.579) 24.596 1.997 ( 4.233 0.000 -4.667) 6.301 2.582 ( 33.105 0.000 14.055) 35.965 3.622 ( -1.673 0.000 -3.052) 3.481 3.815 ( 12.702 0.000 -7.043) 14.524 4.340 ( -1.605 0.000 5.441) 5.672 4.961 ( -9.173 0.000 0.836) 9.211 5.102 ( 2.017 0.000 15.032) 15.166 5.251 ( -14.683 0.000 -0.251) 14.685 5.614 ( -3.288 0.000 2.176) 3.943 6.227 ( -2.846 0.000 -16.479) 16.723 11.496 ( -57.440 0.000 1.547) 57.461 11.897 ( 25.055 0.000 18.551) 31.175 12.600 ( -38.919 0.000 -17.254) 42.572 15.084 ( 1.607 0.000 -19.146) 19.213 75.208 ( 1.854 0.000 -0.074) 1.856 75.319 ( 3.397 0.000 0.029) 3.397 ======================= Grid point 4 (5/354) ======================= q-point: ( 0.31 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.859 ( 20.536 0.000 3.257) 20.793 2.035 ( 10.548 0.000 -3.333) 11.062 2.350 ( 24.750 0.000 4.215) 25.106 3.220 ( 24.515 0.000 11.348) 27.014 3.502 ( -6.913 0.000 0.068) 6.913 4.019 ( 8.845 0.000 -11.054) 14.157 4.405 ( 6.360 0.000 6.227) 8.900 4.737 ( -12.972 0.000 -0.306) 12.976 4.929 ( -16.859 0.000 0.354) 16.863 5.200 ( 3.768 0.000 8.688) 9.470 5.557 ( -3.171 0.000 3.901) 5.028 6.080 ( -7.342 0.000 -8.954) 11.579 10.446 ( -45.878 0.000 7.413) 46.473 11.762 ( -34.734 0.000 -28.480) 44.917 12.465 ( 23.677 0.000 19.659) 30.775 15.046 ( 1.218 0.000 -20.614) 20.650 75.254 ( 2.692 0.000 -0.336) 2.713 75.395 ( 3.942 0.000 0.152) 3.945 ======================= Grid point 5 (6/354) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.262 ( 18.253 0.000 2.126) 18.377 2.269 ( 12.550 0.000 -1.349) 12.623 2.856 ( 23.115 0.000 3.031) 23.313 3.279 ( -10.213 0.000 -2.403) 10.492 3.718 ( 16.263 0.000 12.076) 20.257 4.157 ( 8.678 0.000 -8.865) 12.406 4.447 ( -14.865 0.000 -1.384) 14.930 4.579 ( 7.965 0.000 4.365) 9.083 4.591 ( -15.922 0.000 0.860) 15.945 5.306 ( 4.298 0.000 2.602) 5.024 5.521 ( -1.812 0.000 6.004) 6.271 5.878 ( -9.933 0.000 -4.232) 10.797 9.730 ( -27.681 0.000 10.069) 29.456 11.058 ( -23.653 0.000 -30.144) 38.316 12.952 ( 17.489 0.000 16.531) 24.066 14.993 ( 0.137 0.000 -17.384) 17.384 75.307 ( 2.436 0.000 -0.321) 2.457 75.470 ( 3.254 0.000 0.142) 3.257 ======================= Grid point 6 (7/354) ======================= q-point: ( 0.46 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.474 ( 6.286 0.000 -0.213) 6.290 2.593 ( 12.356 0.000 1.009) 12.397 3.053 ( -9.834 0.000 -0.928) 9.878 3.256 ( 13.227 0.000 1.294) 13.290 3.995 ( 7.445 0.000 4.372) 8.634 4.166 ( -10.286 0.000 -0.898) 10.325 4.259 ( 2.500 0.000 -2.926) 3.849 4.342 ( -7.300 0.000 0.334) 7.307 4.735 ( 5.212 0.000 1.552) 5.438 5.370 ( 1.473 0.000 -0.609) 1.593 5.529 ( 0.458 0.000 3.985) 4.011 5.686 ( -6.431 0.000 -1.512) 6.606 9.387 ( -9.150 0.000 5.171) 10.510 10.649 ( -8.373 0.000 -13.703) 16.059 13.246 ( 6.658 0.000 6.945) 9.621 14.945 ( -0.292 0.000 -7.282) 7.288 75.342 ( 0.985 0.000 -0.127) 0.993 75.518 ( 1.269 0.000 0.055) 1.270 ======================= Grid point 13 (8/354) ======================= q-point: ( 0.00 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.364 ( 0.000 18.028 0.000) 18.028 0.593 ( 0.000 29.015 0.000) 29.015 0.888 ( 0.000 43.043 0.000) 43.043 2.429 ( 0.000 17.424 0.000) 17.424 2.997 ( 0.000 -0.673 0.000) 0.673 3.774 ( 0.000 -7.238 0.000) 7.238 3.839 ( 0.000 0.307 0.000) 0.307 4.336 ( 0.000 -4.564 0.000) 4.564 5.334 ( 0.000 -1.412 0.000) 1.412 5.692 ( 0.000 -5.042 0.000) 5.042 5.705 ( 0.000 -1.624 0.000) 1.624 7.431 ( 0.000 -7.850 0.000) 7.850 11.259 ( 0.000 10.283 0.000) 10.283 13.822 ( 0.000 0.740 0.000) 0.740 14.050 ( 0.000 -2.340 0.000) 2.340 15.089 ( 0.000 -5.293 0.000) 5.293 75.094 ( 0.000 0.059 0.000) 0.059 75.209 ( 0.000 -0.386 0.000) 0.386 ======================= Grid point 14 (9/354) ======================= q-point: ( 0.08 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.428 ( 9.861 9.422 13.827) 19.422 0.740 ( 20.269 14.919 4.740) 25.611 1.390 ( 32.580 32.216 7.059) 46.359 2.419 ( -2.726 20.255 -3.217) 20.690 3.114 ( 11.312 -0.844 -1.634) 11.461 3.721 ( -1.829 -9.308 0.935) 9.532 4.267 ( 14.461 -14.960 13.289) 24.689 4.366 ( 8.074 -9.614 3.364) 12.998 5.349 ( 0.693 0.533 2.657) 2.797 5.633 ( -5.162 -4.391 0.339) 6.785 5.701 ( -1.011 -1.243 -0.273) 1.626 6.897 ( -29.122 17.966 -17.520) 38.442 11.210 ( 3.471 17.064 7.178) 18.835 13.508 ( -29.083 0.166 -5.607) 29.619 13.891 ( -19.079 -7.355 -3.434) 20.734 15.099 ( 1.914 -3.520 -5.762) 7.018 75.137 ( 1.973 -1.974 0.908) 2.935 75.220 ( 1.159 -0.459 -0.129) 1.254 ======================= Grid point 15 (10/354) ======================= q-point: ( 0.15 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.838 ( 22.420 -5.566 7.941) 24.427 1.237 ( 24.927 6.562 8.301) 27.080 2.083 ( 30.211 22.700 8.077) 38.643 2.332 ( -1.142 24.413 -4.874) 24.921 3.407 ( 17.222 -0.807 -3.218) 17.539 3.678 ( -2.551 -8.964 -0.698) 9.346 4.302 ( -2.822 -6.546 3.705) 8.034 4.670 ( 9.222 -15.319 10.266) 20.618 5.356 ( -2.173 6.587 6.871) 9.764 5.492 ( -8.667 -1.535 0.454) 8.813 5.665 ( -2.413 -0.636 0.317) 2.515 6.423 ( -12.831 7.763 -18.643) 23.926 11.459 ( 14.367 8.565 12.384) 20.812 12.664 ( -49.928 2.084 -1.785) 50.003 13.307 ( -33.984 -8.037 -7.369) 35.691 15.120 ( 2.909 0.396 -11.380) 11.753 75.168 ( 1.303 -1.075 0.407) 1.737 75.255 ( 2.309 -0.553 -0.116) 2.377 ======================= Grid point 16 (11/354) ======================= q-point: ( 0.23 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.320 ( 22.641 -7.163 4.743) 24.216 1.776 ( 25.156 3.053 8.157) 26.621 2.239 ( 1.596 22.266 -5.531) 22.998 2.785 ( 28.569 17.086 10.015) 34.762 3.577 ( -4.335 -4.910 -0.595) 6.577 3.767 ( 15.459 -3.654 -6.072) 17.006 4.244 ( -2.848 -8.444 3.471) 9.564 4.798 ( 1.228 -8.375 4.208) 9.453 5.283 ( -9.774 2.987 0.380) 10.228 5.314 ( -6.410 11.304 9.859) 16.312 5.611 ( -3.087 -0.328 1.434) 3.419 6.181 ( -6.919 -4.265 -14.628) 16.734 11.362 ( -45.328 -10.199 -0.457) 46.464 11.940 ( -10.612 -0.990 7.606) 13.094 12.650 ( -17.875 7.710 -4.407) 19.960 15.134 ( 3.026 4.471 -16.140) 17.019 75.202 ( 2.116 -0.443 -0.070) 2.163 75.313 ( 3.409 -0.550 0.058) 3.453 ======================= Grid point 17 (12/354) ======================= q-point: ( 0.31 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.777 ( 21.091 -6.749 2.986) 22.344 2.254 ( 15.736 12.637 -0.218) 20.183 2.376 ( 17.102 8.751 3.195) 19.475 3.313 ( 18.044 6.847 5.043) 19.948 3.454 ( -6.601 -4.635 7.203) 10.814 3.980 ( 8.678 -3.262 -10.784) 14.221 4.286 ( 5.810 -7.622 3.843) 10.325 4.745 ( -6.686 0.322 -0.335) 6.702 5.045 ( -12.642 8.816 0.942) 15.441 5.272 ( -1.227 6.241 9.039) 11.053 5.554 ( -3.100 -0.196 3.207) 4.465 6.003 ( -7.261 -7.453 -9.147) 13.854 10.377 ( -45.128 -6.646 6.004) 46.008 11.399 ( -32.069 -26.738 -25.760) 49.060 12.822 ( 19.298 26.514 19.068) 37.934 15.127 ( 2.016 7.521 -18.663) 20.222 75.253 ( 2.809 -0.127 -0.313) 2.829 75.389 ( 3.965 -0.517 0.164) 4.001 ======================= Grid point 18 (13/354) ======================= q-point: ( 0.38 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.191 ( 18.960 -5.939 1.487) 19.924 2.503 ( 12.588 19.341 -2.335) 23.194 2.823 ( 20.792 -2.122 5.019) 21.494 3.232 ( -11.580 -4.808 2.021) 12.700 3.651 ( 8.287 -7.253 7.376) 13.255 4.135 ( 9.233 -0.698 -7.507) 11.920 4.387 ( 0.808 -0.914 0.740) 1.427 4.588 ( -6.817 4.544 -0.168) 8.194 4.823 ( -7.439 13.003 2.303) 15.157 5.312 ( 2.179 0.489 3.724) 4.342 5.515 ( -2.023 -0.454 5.418) 5.801 5.815 ( -8.661 -5.981 -5.096) 11.694 9.666 ( -27.443 -6.228 9.721) 29.773 10.721 ( -23.232 -28.324 -29.886) 47.277 13.278 ( 17.154 27.390 18.115) 37.049 15.088 ( 0.261 8.918 -16.857) 19.073 75.307 ( 2.488 0.030 -0.301) 2.506 75.466 ( 3.279 -0.469 0.149) 3.315 ======================= Grid point 19 (14/354) ======================= q-point: ( 0.46 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.537 ( 13.533 -4.869 0.354) 14.387 2.713 ( 6.784 20.766 -1.225) 21.881 2.990 ( -10.918 -6.130 1.136) 12.572 3.176 ( 10.242 -6.893 3.189) 12.751 3.743 ( 0.272 -14.114 0.731) 14.136 4.217 ( 0.396 -2.638 -2.052) 3.365 4.373 ( 0.720 7.134 -0.943) 7.232 4.464 ( -5.090 12.971 1.274) 13.992 4.821 ( 3.266 7.724 1.370) 8.497 5.353 ( 0.939 -1.944 -0.022) 2.159 5.506 ( -0.869 -1.873 3.788) 4.314 5.651 ( -4.822 -3.223 -2.135) 6.181 9.327 ( -9.012 -5.780 5.362) 11.974 10.317 ( -8.257 -28.632 -13.893) 32.879 13.577 ( 6.837 28.596 7.926) 30.452 15.039 ( -0.429 8.885 -7.483) 11.624 75.343 ( 0.999 0.096 -0.119) 1.011 75.514 ( 1.280 -0.433 0.057) 1.352 ======================= Grid point 26 (15/354) ======================= q-point: ( 0.00 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.734 ( 0.000 18.428 0.000) 18.428 1.174 ( 0.000 28.098 0.000) 28.098 1.732 ( 0.000 39.508 0.000) 39.508 2.879 ( 0.000 24.726 0.000) 24.726 2.973 ( 0.000 -1.901 0.000) 1.901 3.580 ( 0.000 -10.942 0.000) 10.942 3.859 ( 0.000 2.321 0.000) 2.321 4.200 ( 0.000 -8.718 0.000) 8.718 5.285 ( 0.000 -3.865 0.000) 3.865 5.554 ( 0.000 -7.777 0.000) 7.777 5.658 ( 0.000 -2.935 0.000) 2.935 7.195 ( 0.000 -15.266 0.000) 15.266 11.557 ( 0.000 18.624 0.000) 18.624 13.842 ( 0.000 1.209 0.000) 1.209 13.982 ( 0.000 -4.183 0.000) 4.183 14.929 ( 0.000 -10.364 0.000) 10.364 75.096 ( 0.000 0.162 0.000) 0.162 75.198 ( 0.000 -0.711 0.000) 0.711 ======================= Grid point 27 (16/354) ======================= q-point: ( 0.08 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.760 ( -1.454 18.779 12.480) 22.595 1.149 ( 6.727 23.997 -0.344) 24.925 2.067 ( 24.653 33.014 4.103) 41.407 2.904 ( 1.212 24.803 -1.446) 24.875 3.087 ( 10.477 -0.992 -0.990) 10.571 3.521 ( -3.194 -9.564 1.558) 10.203 4.070 ( 14.744 -5.355 3.376) 16.045 4.197 ( 0.341 -9.412 0.809) 9.453 5.310 ( 2.519 -3.980 -0.652) 4.755 5.521 ( -2.801 -5.988 -0.066) 6.610 5.657 ( -0.270 -2.959 -0.515) 3.016 6.956 ( -19.813 -7.833 -4.398) 21.754 11.585 ( 2.539 20.050 7.486) 21.552 13.526 ( -29.225 1.546 -2.917) 29.411 13.737 ( -23.232 -7.819 -3.635) 24.780 14.988 ( 5.272 -7.541 -0.461) 9.213 75.115 ( 1.465 -0.456 0.363) 1.577 75.208 ( 1.018 -0.765 -0.033) 1.274 ======================= Grid point 28 (17/354) ======================= q-point: ( 0.15 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.870 ( 9.919 9.245 13.907) 19.424 1.446 ( 18.845 13.733 4.484) 23.746 2.587 ( 21.845 24.836 4.007) 33.318 2.895 ( 1.438 28.429 -4.078) 28.756 3.353 ( 13.399 -6.921 -0.366) 15.085 3.495 ( 1.231 -5.039 1.469) 5.391 4.126 ( -3.807 -10.199 0.874) 10.921 4.431 ( 13.758 -8.942 5.257) 17.231 5.361 ( 1.106 -3.957 0.394) 4.128 5.469 ( -1.178 -1.326 -0.220) 1.787 5.636 ( -1.576 -2.238 -0.486) 2.780 6.494 ( -21.947 -2.252 -6.389) 22.969 11.660 ( -3.437 10.066 5.933) 12.179 12.724 ( -46.818 2.291 3.342) 46.993 13.139 ( -27.650 -5.571 -5.753) 28.786 15.112 ( 7.172 -1.736 -3.796) 8.298 75.149 ( 1.850 -0.661 0.237) 1.979 75.240 ( 2.214 -0.884 0.004) 2.384 ======================= Grid point 29 (18/354) ======================= q-point: ( 0.23 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.213 ( 18.262 -1.773 9.765) 20.785 1.880 ( 21.367 7.402 6.965) 23.662 2.746 ( 0.252 23.622 -4.583) 24.063 3.162 ( 18.208 17.674 4.040) 25.695 3.408 ( -4.008 -11.115 4.799) 12.752 3.716 ( 13.722 -0.830 -3.530) 14.193 4.068 ( 0.732 -6.394 0.179) 6.438 4.658 ( 7.153 -5.690 3.469) 9.777 5.321 ( -4.191 0.568 0.411) 4.249 5.478 ( -1.049 3.790 4.522) 5.992 5.596 ( -1.886 -1.413 -0.225) 2.367 6.069 ( -16.911 -6.434 -8.013) 19.789 11.147 ( -44.689 -10.404 -5.612) 46.226 11.776 ( -45.910 -13.414 -8.677) 48.610 12.965 ( 9.999 21.911 17.465) 29.751 15.236 ( 6.841 4.662 -8.603) 11.939 75.193 ( 2.539 -0.353 -0.065) 2.564 75.297 ( 3.401 -0.943 0.125) 3.532 ======================= Grid point 30 (19/354) ======================= q-point: ( 0.31 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.631 ( 19.961 -6.433 5.294) 21.630 2.335 ( 20.604 2.723 6.878) 21.892 2.768 ( 4.008 16.825 -1.316) 17.346 3.298 ( -7.808 -6.849 5.380) 11.697 3.428 ( 5.638 2.247 4.568) 7.596 3.923 ( 11.243 -1.960 -7.794) 13.820 4.231 ( 12.313 3.806 1.745) 13.006 4.747 ( 0.961 -0.008 -0.085) 0.965 5.211 ( -7.008 6.574 0.561) 9.625 5.408 ( -7.445 5.978 10.222) 13.988 5.556 ( -2.641 0.593 1.115) 2.927 5.788 ( -7.471 -13.171 -9.776) 18.023 10.188 ( -43.860 -11.621 1.713) 45.406 10.839 ( -39.063 -26.789 -25.587) 53.835 13.407 ( 21.754 30.207 24.938) 44.806 15.316 ( 4.493 10.069 -12.999) 17.046 75.251 ( 3.060 -0.032 -0.254) 3.071 75.374 ( 4.005 -0.930 0.197) 4.116 ======================= Grid point 31 (20/354) ======================= q-point: ( 0.38 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.042 ( 19.229 -7.910 1.033) 20.818 2.725 ( 14.993 -1.273 4.661) 15.752 2.893 ( 4.078 0.110 10.134) 10.924 3.161 ( -3.685 6.340 -0.263) 7.338 3.505 ( 2.668 -3.029 -1.429) 4.282 4.101 ( 6.687 -3.221 -4.793) 8.835 4.461 ( 7.403 6.511 0.824) 9.894 4.714 ( -1.787 7.631 -0.438) 7.850 5.061 ( -6.661 9.803 1.476) 11.943 5.312 ( -4.098 -1.267 6.493) 7.782 5.511 ( -2.278 0.266 3.517) 4.199 5.655 ( -4.129 -8.805 -7.333) 12.180 9.485 ( -26.621 -11.350 8.654) 30.206 10.083 ( -25.178 -31.581 -29.806) 50.197 13.911 ( 18.529 32.922 22.361) 43.899 15.324 ( 1.039 13.350 -14.444) 19.696 75.309 ( 2.617 0.186 -0.248) 2.635 75.452 ( 3.330 -0.882 0.164) 3.449 ======================= Grid point 32 (21/354) ======================= q-point: ( 0.46 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.396 ( 14.737 -8.507 -2.982) 17.275 2.785 ( -11.047 -12.654 11.973) 20.628 3.009 ( 8.344 -5.485 -2.526) 10.300 3.237 ( 5.137 21.663 0.169) 22.265 3.529 ( 0.407 -4.004 -1.493) 4.293 4.144 ( -0.319 -4.752 -1.307) 4.939 4.488 ( -0.952 5.350 -0.865) 5.502 4.743 ( 1.341 12.257 0.992) 12.370 5.005 ( 0.766 9.388 0.952) 9.467 5.270 ( -1.817 -6.303 1.520) 6.733 5.477 ( -2.015 -0.450 1.717) 2.685 5.576 ( -1.313 -3.537 -2.471) 4.510 9.164 ( -8.447 -9.945 6.599) 14.622 9.654 ( -8.718 -33.566 -15.149) 37.844 14.249 ( 7.746 34.869 10.343) 37.187 15.280 ( -0.670 14.103 -7.666) 16.066 75.347 ( 1.039 0.293 -0.099) 1.084 75.501 ( 1.303 -0.842 0.062) 1.552 ======================= Grid point 39 (22/354) ======================= q-point: ( 0.00 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.112 ( 0.000 18.819 0.000) 18.819 1.731 ( 0.000 26.565 0.000) 26.565 2.449 ( 0.000 28.070 0.000) 28.070 2.916 ( 0.000 -2.459 0.000) 2.459 3.317 ( 0.000 14.846 0.000) 14.846 3.384 ( 0.000 -6.540 0.000) 6.540 3.990 ( 0.000 -11.652 0.000) 11.652 3.999 ( 0.000 14.143 0.000) 14.143 5.141 ( 0.000 -10.889 0.000) 10.889 5.427 ( 0.000 -3.696 0.000) 3.696 5.589 ( 0.000 -3.759 0.000) 3.759 6.818 ( 0.000 -21.562 0.000) 21.562 11.995 ( 0.000 23.963 0.000) 23.963 13.870 ( 0.000 1.502 0.000) 1.502 13.882 ( 0.000 -5.785 0.000) 5.785 14.674 ( 0.000 -14.482 0.000) 14.482 75.101 ( 0.000 0.330 0.000) 0.330 75.181 ( 0.000 -0.928 0.000) 0.928 ======================= Grid point 40 (23/354) ======================= q-point: ( 0.08 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.144 ( -0.257 19.031 10.354) 21.666 1.663 ( -1.169 25.714 -2.186) 25.833 2.653 ( 15.378 19.312 2.106) 24.776 2.995 ( 7.484 -1.185 1.184) 7.669 3.375 ( 0.727 -2.790 2.357) 3.724 3.415 ( 5.566 17.437 0.069) 18.304 3.958 ( -1.274 -10.326 -0.923) 10.445 4.082 ( 7.411 5.909 -0.766) 9.509 5.172 ( 2.969 -9.897 -0.400) 10.340 5.425 ( 0.083 -2.947 -1.279) 3.214 5.586 ( -0.254 -3.859 -0.298) 3.878 6.675 ( -13.013 -18.637 -1.654) 22.791 12.023 ( 0.121 22.693 6.645) 23.646 13.544 ( -31.912 -4.400 -0.597) 32.220 13.602 ( -22.395 -0.686 -5.146) 22.989 14.791 ( 8.955 -11.886 6.182) 16.115 75.112 ( 1.031 0.135 0.159) 1.052 75.190 ( 0.911 -0.971 0.036) 1.332 ======================= Grid point 41 (24/354) ======================= q-point: ( 0.15 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.157 ( -0.941 17.346 15.654) 23.385 1.776 ( 11.674 18.228 0.033) 21.645 2.949 ( 9.511 1.003 6.224) 11.411 3.164 ( 7.047 -0.371 -1.893) 7.306 3.349 ( -1.298 8.755 -1.530) 8.982 3.590 ( 10.688 15.447 1.984) 18.889 3.941 ( 0.915 -5.284 -0.422) 5.379 4.302 ( 13.206 -2.428 0.980) 13.463 5.245 ( 3.915 -7.232 -0.607) 8.246 5.431 ( 1.553 -2.053 -3.021) 3.969 5.574 ( -0.839 -3.713 -0.275) 3.816 6.329 ( -19.378 -13.277 -1.663) 23.549 11.840 ( -26.571 7.481 -2.587) 27.725 12.647 ( -53.160 -9.260 -5.247) 54.215 13.228 ( -6.336 14.073 12.151) 19.643 15.031 ( 12.165 -6.558 5.227) 14.775 75.142 ( 1.904 -0.049 0.123) 1.909 75.220 ( 2.091 -1.071 0.104) 2.352 ======================= Grid point 42 (25/354) ======================= q-point: ( 0.23 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.275 ( 7.590 7.676 15.425) 18.827 2.073 ( 16.113 11.357 3.013) 19.942 2.952 ( -10.961 -9.085 14.356) 20.219 3.233 ( 2.395 -3.446 -8.986) 9.918 3.436 ( 8.693 8.875 -3.441) 12.891 3.769 ( 6.132 8.193 0.442) 10.244 4.087 ( 13.452 7.950 1.545) 15.702 4.566 ( 11.604 -2.340 1.656) 11.953 5.302 ( 1.414 -2.481 -0.138) 2.860 5.472 ( 3.712 -3.990 -5.645) 7.846 5.547 ( -2.175 -2.920 0.924) 3.756 5.919 ( -20.129 -8.445 0.358) 21.832 10.957 ( -51.260 -7.868 -9.904) 52.798 11.473 ( -57.090 -15.161 -12.290) 60.334 13.477 ( 19.062 27.330 26.643) 42.664 15.291 ( 11.864 0.122 1.032) 11.909 75.190 ( 2.800 0.043 -0.045) 2.801 75.276 ( 3.350 -1.155 0.193) 3.549 ======================= Grid point 43 (26/354) ======================= q-point: ( 0.31 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.550 ( 14.339 -1.143 11.151) 18.201 2.415 ( 15.308 4.955 4.863) 16.809 2.758 ( -11.255 -13.737 20.019) 26.761 3.230 ( 1.606 -3.619 -13.441) 14.012 3.561 ( 4.962 10.332 -0.846) 11.493 3.920 ( 8.712 3.624 -2.706) 9.816 4.378 ( 12.560 6.782 2.207) 14.443 4.772 ( 8.425 3.984 0.283) 9.324 5.297 ( -2.064 1.947 -0.604) 2.901 5.432 ( -12.395 -10.462 1.925) 16.334 5.522 ( 1.856 -3.048 -4.028) 5.381 5.599 ( -7.556 0.821 1.541) 7.756 9.927 ( -44.344 -13.066 -5.402) 46.543 10.355 ( -45.995 -20.345 -20.068) 54.149 14.026 ( 23.695 30.283 28.422) 47.815 15.495 ( 8.368 6.600 -4.518) 11.576 75.253 ( 3.306 0.270 -0.172) 3.322 75.353 ( 4.013 -1.191 0.227) 4.192 ======================= Grid point 44 (27/354) ======================= q-point: ( 0.38 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.900 ( 16.793 -5.512 4.359) 18.204 2.581 ( -5.358 -14.695 22.917) 27.746 2.779 ( 9.158 -0.831 5.037) 10.484 3.237 ( 4.651 -2.754 -14.182) 15.177 3.674 ( 6.843 13.153 -1.302) 14.883 4.048 ( 3.661 0.277 -1.522) 3.974 4.563 ( 4.619 2.434 0.648) 5.261 4.889 ( 1.449 8.198 0.749) 8.359 5.159 ( -6.061 -5.125 -0.095) 7.938 5.259 ( -4.945 1.462 2.779) 5.858 5.524 ( -0.682 -0.337 1.212) 1.431 5.539 ( -1.043 -0.261 -3.881) 4.027 9.211 ( -25.359 -15.212 3.356) 29.761 9.524 ( -28.299 -22.211 -23.850) 43.163 14.565 ( 19.377 30.612 24.367) 43.661 15.588 ( 3.083 11.599 -9.090) 15.056 75.316 ( 2.779 0.488 -0.173) 2.826 75.431 ( 3.360 -1.194 0.175) 3.570 ======================= Grid point 45 (28/354) ======================= q-point: ( 0.46 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.218 ( 13.161 -8.249 -3.950) 16.027 2.501 ( -8.874 -14.138 17.546) 24.217 2.932 ( 4.344 -1.223 -2.022) 4.945 3.316 ( 4.358 -4.556 -4.186) 7.568 3.813 ( 6.426 18.401 -2.286) 19.624 4.041 ( -3.435 -3.400 1.365) 5.022 4.587 ( -0.469 4.045 -0.345) 4.087 4.864 ( -1.409 -3.852 1.084) 4.242 5.164 ( 2.460 4.267 -0.825) 4.994 5.182 ( -2.599 2.956 1.371) 4.168 5.490 ( -1.718 1.501 -0.778) 2.410 5.529 ( 0.233 -0.646 -0.338) 0.766 8.924 ( -6.243 -14.716 12.013) 19.996 9.052 ( -10.807 -22.833 -19.891) 32.153 14.925 ( 8.467 30.624 11.957) 33.949 15.575 ( -0.528 14.009 -6.788) 15.576 75.356 ( 1.095 0.614 -0.070) 1.257 75.480 ( 1.318 -1.187 0.064) 1.775 ======================= Grid point 52 (29/354) ======================= q-point: ( 0.00 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.497 ( 0.000 18.965 0.000) 18.965 2.249 ( 0.000 24.302 0.000) 24.302 2.563 ( 0.000 -11.899 0.000) 11.899 3.063 ( 0.000 8.183 0.000) 8.183 3.399 ( 0.000 8.024 0.000) 8.024 3.447 ( 0.000 0.380 0.000) 0.380 3.774 ( 0.000 -5.649 0.000) 5.649 4.426 ( 0.000 22.732 0.000) 22.732 4.881 ( 0.000 -11.653 0.000) 11.653 5.399 ( 0.000 0.463 0.000) 0.463 5.508 ( 0.000 -4.160 0.000) 4.160 6.331 ( 0.000 -26.021 0.000) 26.021 12.508 ( 0.000 26.032 0.000) 26.032 13.735 ( 0.000 -9.286 0.000) 9.286 13.906 ( 0.000 2.160 0.000) 2.160 14.362 ( 0.000 -15.300 0.000) 15.300 75.110 ( 0.000 0.550 0.000) 0.550 75.161 ( 0.000 -1.005 0.000) 1.005 ======================= Grid point 53 (30/354) ======================= q-point: ( 0.08 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.533 ( 0.704 19.184 9.426) 21.387 2.173 ( -4.059 24.204 -3.359) 24.770 2.613 ( 3.656 -13.589 4.879) 14.894 3.125 ( 4.803 2.873 -3.443) 6.571 3.425 ( 0.159 3.344 4.308) 5.456 3.552 ( 8.589 -1.565 1.989) 8.954 3.820 ( 6.904 3.734 -0.654) 7.876 4.428 ( 0.961 23.249 -3.959) 23.603 4.932 ( 4.950 -12.181 -0.044) 13.148 5.399 ( 0.404 0.160 -2.527) 2.564 5.504 ( -0.479 -4.137 0.674) 4.219 6.233 ( -9.008 -24.252 -1.452) 25.912 12.484 ( -6.976 21.980 2.726) 23.221 13.380 ( -32.471 -9.208 -7.360) 34.545 13.687 ( -16.712 6.803 4.795) 18.670 14.510 ( 10.740 -15.537 12.215) 22.494 75.119 ( 0.858 0.484 0.094) 0.990 75.169 ( 0.835 -1.033 0.081) 1.331 ======================= Grid point 54 (31/354) ======================= q-point: ( 0.15 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.535 ( -4.944 19.409 16.698) 26.077 2.165 ( 5.257 19.579 -3.763) 20.619 2.699 ( -0.185 -17.000 13.052) 21.433 3.162 ( -0.627 -7.063 -7.951) 10.654 3.420 ( 2.007 1.454 0.412) 2.512 3.770 ( 10.697 -1.989 3.325) 11.377 4.054 ( 13.234 15.694 0.621) 20.539 4.465 ( 5.581 18.762 -4.526) 20.091 5.065 ( 7.767 -10.530 -0.934) 13.118 5.395 ( 0.310 -1.684 -5.828) 6.074 5.495 ( -0.675 -3.672 1.772) 4.133 5.990 ( -13.621 -19.188 -0.527) 23.537 11.971 ( -44.276 5.834 -8.144) 45.395 12.437 ( -55.604 -10.392 -9.398) 57.343 13.612 ( 8.123 22.064 22.175) 32.319 14.834 ( 16.128 -12.957 13.751) 24.841 75.146 ( 1.874 0.409 0.094) 1.920 75.198 ( 1.986 -1.104 0.160) 2.278 ======================= Grid point 55 (32/354) ======================= q-point: ( 0.23 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.502 ( -2.911 14.060 19.923) 24.558 2.327 ( 10.067 12.934 -0.705) 16.405 2.621 ( -12.931 -18.811 22.356) 31.951 3.109 ( 1.102 -9.209 -12.820) 15.823 3.540 ( 8.459 3.657 -3.830) 9.980 3.958 ( 6.576 1.742 1.701) 7.013 4.273 ( 8.845 12.764 -0.474) 15.536 4.665 ( 13.931 12.503 -0.928) 18.742 5.206 ( 5.724 -7.721 -3.903) 10.374 5.348 ( -3.316 -7.120 -6.854) 10.424 5.495 ( 0.114 -1.923 2.018) 2.789 5.733 ( -10.695 -9.414 3.536) 14.680 10.844 ( -58.159 -2.886 -11.720) 59.398 11.187 ( -61.066 -12.667 -11.898) 63.491 14.041 ( 22.194 27.467 28.635) 45.464 15.219 ( 16.769 -7.657 10.922) 21.428 75.195 ( 2.945 0.468 0.012) 2.982 75.252 ( 3.268 -1.195 0.219) 3.487 ======================= Grid point 56 (33/354) ======================= q-point: ( 0.31 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.592 ( 5.562 5.318 18.792) 20.306 2.366 ( -12.190 -15.639 25.696) 32.457 2.601 ( 10.508 5.915 2.434) 12.302 3.116 ( 3.535 -6.935 -13.515) 15.596 3.683 ( 6.895 3.136 -5.431) 9.321 4.068 ( 4.552 4.810 0.807) 6.672 4.437 ( 7.429 2.759 -0.448) 7.938 4.941 ( 11.999 11.123 0.206) 16.363 5.123 ( -10.005 -14.351 -8.739) 19.555 5.325 ( 1.312 -0.259 1.335) 1.890 5.510 ( 0.676 -0.467 1.204) 1.458 5.609 ( -3.613 -0.812 2.883) 4.693 9.709 ( -47.347 -7.349 -10.249) 48.998 10.006 ( -48.995 -14.458 -13.824) 52.921 14.614 ( 23.479 27.051 27.495) 45.155 15.554 ( 12.947 -1.357 5.269) 14.044 75.262 ( 3.514 0.649 -0.067) 3.574 75.327 ( 3.962 -1.288 0.222) 4.172 ======================= Grid point 57 (34/354) ======================= q-point: ( 0.38 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.833 ( 11.863 -0.787 11.494) 16.537 2.267 ( -6.413 -14.461 28.474) 32.573 2.826 ( 9.746 4.419 0.059) 10.701 3.157 ( 4.968 -4.475 -11.813) 13.574 3.792 ( 6.087 1.188 -5.575) 8.339 4.149 ( 2.541 4.298 1.872) 5.333 4.560 ( 4.696 -1.270 -0.186) 4.868 4.863 ( -10.814 -8.495 -3.122) 14.102 5.155 ( 7.572 6.721 -0.471) 10.135 5.319 ( -2.282 2.381 0.354) 3.317 5.528 ( 0.676 0.898 1.041) 1.532 5.563 ( -1.711 1.099 -0.368) 2.067 8.933 ( -26.100 -10.095 -5.240) 28.471 9.168 ( -28.856 -13.971 -12.866) 34.545 15.130 ( 18.149 24.488 22.053) 37.622 15.760 ( 6.485 4.610 -1.189) 8.045 75.329 ( 2.947 0.856 -0.082) 3.070 75.404 ( 3.334 -1.365 0.160) 3.606 ======================= Grid point 58 (35/354) ======================= q-point: ( 0.46 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.084 ( 9.331 -4.592 -0.706) 10.423 2.247 ( -4.730 -10.355 17.417) 20.808 2.959 ( 3.471 3.546 -1.638) 5.225 3.226 ( 3.415 -4.131 -3.797) 6.569 3.885 ( 3.866 -2.788 -3.602) 5.975 4.168 ( -1.047 5.500 2.624) 6.184 4.630 ( 2.475 -1.451 1.016) 3.043 4.697 ( -4.360 -5.090 -2.332) 7.096 5.252 ( 1.653 3.755 0.220) 4.109 5.264 ( -1.594 2.999 -0.264) 3.407 5.529 ( -0.363 2.220 -1.886) 2.936 5.550 ( 0.129 1.999 1.445) 2.471 8.601 ( -7.031 -12.309 -0.061) 14.176 8.746 ( -9.675 -11.296 -6.584) 16.265 15.462 ( 7.931 21.783 10.897) 25.615 15.815 ( 0.636 8.822 -3.824) 9.636 75.372 ( 1.158 0.988 -0.035) 1.523 75.454 ( 1.310 -1.410 0.057) 1.926 ======================= Grid point 65 (36/354) ======================= q-point: ( 0.00 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.880 ( 0.000 18.657 0.000) 18.657 2.248 ( 0.000 -17.418 0.000) 17.418 2.708 ( 0.000 20.505 0.000) 20.505 3.038 ( 0.000 -9.982 0.000) 9.982 3.408 ( 0.000 -2.824 0.000) 2.824 3.416 ( 0.000 -2.244 0.000) 2.244 3.996 ( 0.000 20.957 0.000) 20.957 4.411 ( 0.000 -18.083 0.000) 18.083 5.099 ( 0.000 25.022 0.000) 25.022 5.413 ( 0.000 -6.060 0.000) 6.060 5.448 ( 0.000 5.437 0.000) 5.437 5.785 ( 0.000 -26.372 0.000) 26.372 13.028 ( 0.000 24.459 0.000) 24.459 13.467 ( 0.000 -17.805 0.000) 17.805 13.967 ( 0.000 4.226 0.000) 4.226 14.100 ( 0.000 -9.612 0.000) 9.612 75.123 ( 0.000 0.775 0.000) 0.775 75.141 ( 0.000 -0.944 0.000) 0.944 ======================= Grid point 66 (37/354) ======================= q-point: ( 0.08 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.920 ( 1.420 18.775 8.734) 20.755 2.289 ( 2.092 -17.426 7.328) 19.019 2.637 ( -4.895 21.154 -4.332) 22.141 3.007 ( -2.752 -13.906 -4.954) 15.016 3.409 ( 0.887 0.717 2.458) 2.710 3.475 ( 5.517 -4.606 2.367) 7.567 4.134 ( 12.298 20.316 0.409) 23.751 4.519 ( 9.865 -15.876 -0.545) 18.699 5.055 ( -3.485 23.816 -3.591) 24.336 5.388 ( -1.451 -5.869 -5.780) 8.364 5.453 ( -0.157 3.265 3.486) 4.779 5.726 ( -5.118 -23.710 -0.969) 24.276 12.886 ( -19.297 17.030 -3.949) 26.038 13.172 ( -29.669 -11.624 -8.098) 32.877 13.880 ( -3.830 12.368 12.196) 17.788 14.179 ( 7.407 -16.326 15.238) 23.529 75.131 ( 0.799 0.758 0.087) 1.105 75.149 ( 0.797 -0.952 0.094) 1.245 ======================= Grid point 67 (38/354) ======================= q-point: ( 0.15 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.934 ( -5.629 19.710 17.383) 26.876 2.328 ( -4.052 -18.869 16.459) 25.364 2.558 ( 0.546 18.458 -6.763) 19.666 2.910 ( -2.878 -15.812 -8.545) 18.203 3.491 ( 6.423 5.701 1.075) 8.655 3.639 ( 9.127 -8.177 2.161) 12.444 4.427 ( 14.754 18.769 -0.253) 23.875 4.756 ( 12.610 -9.582 -2.245) 15.996 4.962 ( -3.007 16.937 -4.583) 17.801 5.304 ( -4.850 -10.217 -7.773) 13.723 5.465 ( 0.302 1.820 2.830) 3.379 5.614 ( -4.701 -14.741 1.003) 15.505 12.093 ( -53.248 6.496 -10.194) 54.603 12.244 ( -56.131 -8.458 -10.396) 57.709 14.076 ( 15.464 22.754 23.782) 36.366 14.507 ( 17.631 -19.069 20.385) 33.015 75.158 ( 1.874 0.752 0.123) 2.023 75.176 ( 1.912 -0.990 0.160) 2.160 ======================= Grid point 68 (39/354) ======================= q-point: ( 0.23 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.827 ( -10.058 17.594 23.131) 30.753 2.206 ( -13.700 -19.331 24.338) 33.967 2.621 ( 7.018 13.496 -5.721) 16.253 2.887 ( 3.582 -12.256 -9.930) 16.176 3.645 ( 8.065 7.221 -1.899) 10.991 3.828 ( 8.517 -9.906 0.428) 13.071 4.621 ( 3.240 18.517 -4.433) 19.314 4.952 ( 9.028 7.664 -2.823) 12.174 4.975 ( 2.007 -8.742 -5.014) 10.276 5.193 ( -0.123 -9.034 -2.611) 9.404 5.486 ( 0.964 1.418 1.893) 2.554 5.565 ( -1.128 -6.432 2.819) 7.113 10.847 ( -62.010 3.173 -11.726) 63.189 10.969 ( -62.637 -8.594 -11.497) 64.261 14.565 ( 22.487 23.528 25.897) 41.592 14.974 ( 20.535 -16.355 19.623) 32.775 75.209 ( 3.058 0.827 0.100) 3.170 75.228 ( 3.167 -1.079 0.183) 3.351 ======================= Grid point 69 (40/354) ======================= q-point: ( 0.31 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.760 ( -3.378 11.047 25.656) 28.137 2.033 ( -10.333 -15.475 29.066) 34.512 2.772 ( 9.017 9.372 -4.311) 13.701 2.958 ( 6.094 -8.621 -9.291) 14.063 3.779 ( 5.905 7.266 -4.302) 10.304 3.972 ( 5.755 -10.370 -1.188) 11.919 4.614 ( -0.218 12.088 -4.192) 12.796 4.860 ( -6.740 -12.036 -6.532) 15.263 5.154 ( 8.887 8.901 0.048) 12.578 5.287 ( 5.153 -4.066 0.378) 6.575 5.516 ( 1.396 1.572 1.460) 2.559 5.567 ( 0.021 -2.856 2.285) 3.658 9.651 ( -49.561 1.655 -10.980) 50.790 9.764 ( -49.916 -9.104 -11.295) 51.981 15.102 ( 21.232 20.436 22.594) 37.134 15.427 ( 17.484 -11.246 14.774) 25.503 75.279 ( 3.696 0.991 0.053) 3.827 75.301 ( 3.851 -1.217 0.160) 4.042 ======================= Grid point 70 (41/354) ======================= q-point: ( 0.38 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.872 ( 5.396 4.577 20.260) 21.461 2.019 ( -1.338 -9.839 26.893) 28.667 2.938 ( 8.135 6.119 -3.217) 10.676 3.057 ( 6.381 -5.411 -7.601) 11.303 3.857 ( 3.520 6.503 -4.657) 8.738 4.052 ( 2.539 -10.961 -1.183) 11.314 4.612 ( 1.101 5.636 -2.311) 6.190 4.727 ( -4.182 -5.451 -3.179) 7.570 5.277 ( 3.053 4.659 0.115) 5.571 5.337 ( -0.332 -1.000 0.035) 1.054 5.551 ( 1.555 1.289 0.789) 2.168 5.571 ( 0.011 -0.415 0.304) 0.515 8.837 ( -27.285 0.563 -7.446) 28.288 8.937 ( -28.096 -8.626 -8.594) 30.621 15.541 ( 14.985 15.659 16.031) 26.958 15.755 ( 10.749 -5.314 7.751) 14.278 75.350 ( 3.109 1.177 0.017) 3.324 75.376 ( 3.245 -1.362 0.105) 3.521 ======================= Grid point 71 (42/354) ======================= q-point: ( 0.46 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.038 ( 4.755 0.098 5.826) 7.521 2.090 ( -0.082 -5.068 12.966) 13.922 3.053 ( 3.419 4.977 -1.570) 6.239 3.145 ( 3.222 -4.089 -2.717) 5.873 3.896 ( 1.477 4.837 -2.233) 5.529 4.072 ( 0.094 -10.745 -0.092) 10.746 4.631 ( 0.884 2.767 -0.760) 3.003 4.675 ( -0.632 -1.006 -0.984) 1.543 5.295 ( -0.266 1.216 -0.140) 1.252 5.304 ( -1.674 0.619 -0.043) 1.785 5.571 ( 0.374 1.586 -0.481) 1.699 5.582 ( 0.680 0.686 0.387) 1.041 8.476 ( -7.813 -0.420 -2.390) 8.181 8.554 ( -8.500 -7.297 -3.314) 11.682 15.796 ( 5.860 10.978 6.849) 14.204 15.908 ( 3.012 -0.135 1.220) 3.253 75.396 ( 1.222 1.300 0.003) 1.785 75.424 ( 1.276 -1.454 0.036) 1.935 ======================= Grid point 143 (43/354) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.378 ( 10.431 0.000 19.369) 22.000 0.472 ( 10.801 0.000 24.532) 26.804 0.978 ( -2.040 0.000 49.944) 49.986 2.201 ( -3.967 0.000 -4.098) 5.703 2.959 ( -1.525 0.000 -4.631) 4.876 3.971 ( -0.217 0.000 11.721) 11.723 4.084 ( 44.095 0.000 0.769) 44.102 4.374 ( 1.962 0.000 -0.624) 2.059 5.207 ( 0.661 0.000 2.207) 2.304 5.634 ( 1.464 0.000 -8.953) 9.072 5.733 ( -0.197 0.000 -1.222) 1.238 7.117 ( -37.480 0.000 -6.990) 38.127 10.932 ( 5.944 0.000 10.232) 11.833 13.781 ( -5.127 0.000 -3.105) 5.994 14.206 ( -10.707 0.000 1.769) 10.852 15.044 ( -5.700 0.000 -10.031) 11.537 75.098 ( 2.525 0.000 -0.297) 2.543 75.217 ( -0.108 0.000 0.424) 0.437 ======================= Grid point 144 (44/354) ======================= q-point: ( 0.08 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.829 ( 23.428 0.000 14.509) 27.557 0.881 ( 13.432 0.000 25.703) 29.001 1.411 ( 28.727 0.000 34.551) 44.934 2.059 ( -7.288 0.000 -7.489) 10.450 3.036 ( 10.487 0.000 -6.885) 12.545 3.888 ( -6.786 0.000 7.167) 9.870 4.433 ( 3.146 0.000 2.844) 4.241 5.060 ( 34.813 0.000 -31.019) 46.627 5.204 ( -1.944 0.000 2.693) 3.321 5.615 ( -0.251 0.000 -8.532) 8.536 5.666 ( -5.799 0.000 -1.505) 5.991 6.228 ( -33.180 0.000 24.635) 41.325 11.217 ( 17.090 0.000 16.590) 23.818 13.399 ( -29.800 0.000 -3.935) 30.059 13.925 ( -22.141 0.000 0.006) 22.141 14.896 ( -4.227 0.000 -16.361) 16.899 75.155 ( 2.029 0.000 -2.078) 2.904 75.226 ( 0.876 0.000 0.307) 0.928 ======================= Grid point 145 (45/354) ======================= q-point: ( 0.15 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.238 ( 14.563 0.000 22.287) 26.624 1.359 ( 24.067 0.000 10.486) 26.252 1.905 ( -3.937 0.000 -7.555) 8.520 2.175 ( 34.384 0.000 23.606) 41.708 3.295 ( 16.458 0.000 -8.453) 18.502 3.739 ( -9.131 0.000 -1.003) 9.186 4.502 ( 1.503 0.000 8.641) 8.771 5.137 ( -5.791 0.000 2.218) 6.201 5.310 ( 1.929 0.000 -4.963) 5.325 5.494 ( -10.518 0.000 -1.413) 10.612 5.593 ( 1.192 0.000 -9.026) 9.105 5.970 ( -2.314 0.000 1.416) 2.713 11.703 ( 23.853 0.000 19.933) 31.085 12.591 ( -47.598 0.000 -0.657) 47.602 13.240 ( -42.507 0.000 -9.007) 43.450 14.771 ( -1.788 0.000 -20.061) 20.140 75.177 ( 1.049 0.000 -0.858) 1.355 75.258 ( 2.305 0.000 -0.014) 2.305 ======================= Grid point 146 (46/354) ======================= q-point: ( 0.23 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.615 ( 15.893 0.000 15.416) 22.141 1.792 ( 11.150 0.000 -0.224) 11.152 1.966 ( 17.305 0.000 2.684) 17.511 2.915 ( 30.728 0.000 19.683) 36.491 3.497 ( -8.732 0.000 -8.768) 12.374 3.612 ( 13.575 0.000 -12.131) 18.205 4.559 ( 0.527 0.000 14.853) 14.863 4.979 ( -10.364 0.000 0.953) 10.408 5.240 ( -14.024 0.000 -0.879) 14.051 5.300 ( -0.829 0.000 1.932) 2.103 5.578 ( -0.078 0.000 -6.069) 6.069 5.966 ( 0.765 0.000 -7.239) 7.279 11.568 ( -51.920 0.000 6.142) 52.282 12.239 ( -48.681 0.000 -19.018) 52.264 12.275 ( 25.012 0.000 19.094) 31.467 14.696 ( 1.293 0.000 -19.540) 19.583 75.203 ( 1.889 0.000 -0.312) 1.914 75.318 ( 3.496 0.000 -0.129) 3.498 ======================= Grid point 147 (47/354) ======================= q-point: ( 0.31 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.969 ( 14.959 0.000 7.533) 16.749 1.992 ( 12.312 0.000 -1.097) 12.361 2.434 ( 23.470 0.000 4.345) 23.869 3.244 ( -7.330 0.000 -14.268) 16.041 3.557 ( 24.341 0.000 14.010) 28.085 3.836 ( 10.464 0.000 -8.403) 13.420 4.635 ( 1.820 0.000 15.484) 15.591 4.728 ( -14.256 0.000 -0.620) 14.270 4.931 ( -16.127 0.000 -0.135) 16.127 5.298 ( 0.337 0.000 -1.338) 1.380 5.559 ( 0.020 0.000 -3.792) 3.792 5.918 ( -3.539 0.000 -5.806) 6.799 10.587 ( -46.468 0.000 3.124) 46.573 11.295 ( -34.783 0.000 -14.300) 37.608 12.798 ( 20.100 0.000 12.255) 23.541 14.700 ( 4.790 0.000 -12.602) 13.481 75.251 ( 2.727 0.000 -0.009) 2.727 75.395 ( 3.998 0.000 -0.176) 4.002 ======================= Grid point 148 (48/354) ======================= q-point: ( 0.38 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.268 ( 13.558 0.000 -1.889) 13.689 2.270 ( 13.846 0.000 1.393) 13.916 2.904 ( 21.365 0.000 1.887) 21.448 3.086 ( -3.693 0.000 -13.017) 13.531 3.981 ( 8.147 0.000 5.356) 9.749 4.024 ( 14.414 0.000 2.186) 14.579 4.419 ( -15.152 0.000 -1.447) 15.221 4.600 ( -15.889 0.000 0.081) 15.889 4.730 ( 3.023 0.000 10.684) 11.103 5.297 ( 1.014 0.000 -7.212) 7.283 5.552 ( 0.161 0.000 -2.698) 2.703 5.787 ( -7.624 0.000 -2.731) 8.099 9.740 ( -33.624 0.000 -12.983) 36.044 10.831 ( -10.867 0.000 11.616) 15.907 13.126 ( 9.664 0.000 -0.994) 9.715 14.813 ( 8.286 0.000 1.174) 8.369 75.306 ( 2.539 0.000 0.276) 2.554 75.470 ( 3.254 0.000 -0.240) 3.263 ======================= Grid point 149 (49/354) ======================= q-point: ( 0.46 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.481 ( 8.337 0.000 -11.437) 14.153 2.498 ( 6.410 0.000 2.698) 6.954 2.986 ( -2.995 0.000 -4.003) 4.999 3.261 ( 11.066 0.000 -0.823) 11.096 4.116 ( 3.884 0.000 1.848) 4.301 4.151 ( -8.735 0.000 -0.534) 8.751 4.198 ( 1.396 0.000 1.264) 1.884 4.340 ( -7.880 0.000 -0.512) 7.896 4.822 ( 1.848 0.000 7.538) 7.761 5.294 ( 2.137 0.000 -12.571) 12.751 5.552 ( 1.734 0.000 -2.398) 2.960 5.615 ( -8.348 0.000 -0.027) 8.348 9.216 ( -11.885 0.000 -17.360) 21.039 10.878 ( 6.391 0.000 31.382) 32.027 13.174 ( -2.173 0.000 -13.242) 13.419 15.022 ( 8.982 0.000 14.114) 16.730 75.347 ( 1.117 0.000 0.557) 1.249 75.516 ( 1.234 0.000 -0.332) 1.278 ======================= Grid point 150 (50/354) ======================= q-point: (-0.46 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.460 ( -6.501 0.000 -11.561) 13.263 2.507 ( -6.267 0.000 3.203) 7.038 2.988 ( 5.123 0.000 -5.896) 7.811 3.214 ( -14.459 0.000 -2.953) 14.757 3.986 ( -15.426 0.000 2.081) 15.566 4.184 ( 11.267 0.000 0.903) 11.303 4.259 ( 3.922 0.000 -3.873) 5.512 4.328 ( 6.752 0.000 -1.129) 6.846 4.793 ( -7.532 0.000 8.660) 11.477 5.298 ( 3.040 0.000 -15.700) 15.992 5.448 ( -8.638 0.000 2.032) 8.874 5.667 ( 10.460 0.000 -1.616) 10.584 9.154 ( 10.640 0.000 -13.286) 17.022 11.235 ( 15.533 0.000 39.244) 42.206 12.972 ( -11.823 0.000 -18.584) 22.026 15.237 ( 5.772 0.000 19.983) 20.800 75.351 ( -0.899 0.000 0.778) 1.188 75.514 ( -1.308 0.000 -0.444) 1.381 ======================= Grid point 151 (51/354) ======================= q-point: (-0.38 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.206 ( -14.732 0.000 -3.176) 15.070 2.322 ( -11.506 0.000 4.173) 12.239 2.792 ( -23.952 0.000 -3.519) 24.209 3.123 ( 11.323 0.000 -13.944) 17.963 3.589 ( -22.948 0.000 -2.858) 23.126 4.273 ( -2.269 0.000 -1.163) 2.550 4.471 ( 14.258 0.000 0.999) 14.293 4.568 ( 16.295 0.000 -1.537) 16.367 4.633 ( -10.356 0.000 12.484) 16.220 5.224 ( -7.728 0.000 -9.917) 12.573 5.364 ( 2.808 0.000 -5.745) 6.395 5.924 ( 14.053 0.000 0.719) 14.072 9.540 ( 30.891 0.000 -8.091) 31.933 11.731 ( 20.219 0.000 35.646) 40.981 12.592 ( -18.780 0.000 -18.850) 26.609 15.377 ( 1.143 0.000 20.361) 20.393 75.318 ( -2.502 0.000 0.831) 2.637 75.464 ( -3.236 0.000 -0.529) 3.279 ======================= Grid point 152 (52/354) ======================= q-point: (-0.31 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.872 ( -18.241 0.000 5.246) 18.980 2.113 ( -12.053 0.000 4.296) 12.795 2.281 ( -22.507 0.000 -2.413) 22.635 3.050 ( -28.695 0.000 -5.335) 29.187 3.347 ( 14.673 0.000 -12.731) 19.426 4.139 ( -10.756 0.000 -1.618) 10.877 4.495 ( -7.665 0.000 15.364) 17.170 4.739 ( 11.999 0.000 -0.077) 12.000 4.918 ( 17.574 0.000 -0.759) 17.590 5.020 ( -8.353 0.000 -9.843) 12.909 5.428 ( 5.242 0.000 -8.570) 10.046 6.217 ( 13.665 0.000 4.562) 14.406 10.340 ( 49.862 0.000 -3.911) 50.015 12.108 ( -22.550 0.000 -16.269) 27.806 12.284 ( 24.257 0.000 24.032) 34.145 15.424 ( -2.734 0.000 17.402) 17.616 75.263 ( -3.032 0.000 0.552) 3.081 75.389 ( -3.786 0.000 -0.473) 3.816 ======================= Grid point 153 (53/354) ======================= q-point: (-0.23 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.515 ( -20.026 0.000 13.409) 24.101 1.655 ( -27.554 0.000 -3.508) 27.777 2.107 ( -1.046 0.000 6.160) 6.248 2.397 ( -33.970 0.000 -4.341) 34.246 3.582 ( 9.535 0.000 -6.225) 11.387 3.849 ( -15.254 0.000 -2.390) 15.440 4.417 ( -5.156 0.000 11.816) 12.892 4.818 ( -8.164 0.000 -13.122) 15.455 4.948 ( 8.693 0.000 -0.458) 8.705 5.249 ( 15.073 0.000 -0.402) 15.078 5.507 ( 5.238 0.000 -8.525) 10.006 6.500 ( 11.900 0.000 10.087) 15.600 11.489 ( 62.296 0.000 0.137) 62.296 11.599 ( -22.165 0.000 -11.712) 25.069 12.872 ( 27.804 0.000 10.279) 29.643 15.393 ( -5.075 0.000 12.174) 13.189 75.206 ( -2.530 0.000 -0.195) 2.537 75.316 ( -3.115 0.000 -0.207) 3.122 ======================= Grid point 154 (54/354) ======================= q-point: (-0.15 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.078 ( -27.914 0.000 -2.785) 28.053 1.161 ( -20.608 0.000 19.769) 28.558 1.666 ( -37.028 0.000 3.262) 37.171 2.162 ( 3.408 0.000 4.966) 6.023 3.429 ( -17.187 0.000 -1.919) 17.294 3.785 ( 4.645 0.000 -3.553) 5.848 4.347 ( -5.288 0.000 4.907) 7.214 4.582 ( -10.469 0.000 -14.739) 18.079 5.088 ( 5.258 0.000 -0.050) 5.258 5.513 ( 10.931 0.000 -0.432) 10.940 5.575 ( 4.286 0.000 -8.469) 9.492 6.782 ( 12.314 0.000 15.748) 19.991 11.167 ( -16.772 0.000 -5.394) 17.618 12.739 ( 56.497 0.000 4.199) 56.653 13.464 ( 28.905 0.000 -0.211) 28.906 15.309 ( -6.095 0.000 5.330) 8.097 75.161 ( -1.695 0.000 -1.358) 2.172 75.264 ( -2.098 0.000 0.080) 2.099 ======================= Grid point 155 (55/354) ======================= q-point: (-0.08 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.537 ( -23.939 0.000 3.403) 24.180 0.735 ( -29.007 0.000 8.172) 30.136 1.071 ( -22.558 0.000 37.243) 43.543 2.231 ( 1.451 0.000 0.874) 1.694 3.112 ( -11.966 0.000 -2.514) 12.227 3.798 ( -2.599 0.000 -7.408) 7.850 4.160 ( -14.061 0.000 2.329) 14.253 4.385 ( -3.226 0.000 -3.689) 4.901 5.168 ( 2.650 0.000 1.029) 2.843 5.619 ( 2.939 0.000 -8.684) 9.168 5.681 ( 5.655 0.000 -0.765) 5.707 7.134 ( 17.058 0.000 11.822) 20.754 10.918 ( -6.617 0.000 2.315) 7.010 13.598 ( 23.955 0.000 2.339) 24.069 14.050 ( 27.473 0.000 -4.729) 27.877 15.188 ( -6.259 0.000 -2.400) 6.704 75.120 ( -2.017 0.000 -2.366) 3.109 75.230 ( -1.264 0.000 0.269) 1.292 ======================= Grid point 156 (56/354) ======================= q-point: ( 0.00 0.09 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.712 ( 12.016 16.931 18.077) 27.528 0.739 ( -3.172 22.706 13.850) 26.785 1.228 ( 0.692 25.651 34.987) 43.388 2.396 ( -1.759 17.631 -3.812) 18.124 2.952 ( -0.985 -0.433 -4.429) 4.558 3.877 ( 7.123 -8.195 9.791) 14.621 3.935 ( 7.319 -5.979 7.292) 11.936 4.328 ( 1.683 -4.527 -0.652) 4.873 5.199 ( 0.342 -0.893 -7.928) 7.986 5.622 ( 1.995 -1.574 -8.361) 8.739 5.684 ( -0.722 -4.400 -0.629) 4.503 7.293 ( -12.499 2.634 -10.743) 16.690 11.206 ( 6.193 18.541 2.107) 19.662 13.781 ( -4.828 0.167 -3.540) 5.989 14.124 ( -3.927 -5.466 4.110) 7.886 15.016 ( -4.098 -2.791 -7.356) 8.871 75.094 ( 1.146 -0.125 -0.104) 1.157 75.213 ( -0.121 -0.402 0.408) 0.585 ======================= Grid point 157 (57/354) ======================= q-point: ( 0.08 0.09 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.840 ( 9.409 9.589 20.428) 24.450 1.054 ( 13.876 9.035 23.678) 28.894 1.678 ( 27.724 23.726 23.466) 43.384 2.307 ( -5.064 21.417 -8.015) 23.421 3.036 ( 10.547 -0.018 -6.356) 12.314 3.801 ( -6.462 -7.949 7.449) 12.666 4.377 ( 2.308 -5.629 2.906) 6.742 4.513 ( 25.891 -26.084 5.547) 37.168 5.203 ( 4.472 -1.171 -12.815) 13.623 5.606 ( -2.531 -2.600 -5.291) 6.416 5.634 ( -2.054 -2.610 -3.939) 5.152 6.742 ( -30.009 22.550 -0.767) 37.545 11.400 ( 11.912 15.475 13.114) 23.523 13.422 ( -28.328 2.307 -2.768) 28.557 13.844 ( -24.762 -7.280 -1.511) 25.854 14.922 ( -2.145 2.008 -12.333) 12.678 75.135 ( 2.074 -1.332 -0.812) 2.596 75.222 ( 0.891 -0.397 0.294) 1.019 ======================= Grid point 158 (58/354) ======================= q-point: ( 0.15 0.09 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.165 ( 14.333 -1.155 21.729) 26.056 1.477 ( 20.475 7.111 15.390) 26.583 2.156 ( -2.093 21.911 -5.843) 22.774 2.382 ( 29.574 18.487 15.466) 38.152 3.298 ( 16.606 0.336 -7.845) 18.369 3.667 ( -8.292 -6.499 0.025) 10.536 4.424 ( 0.161 -7.422 8.950) 11.628 4.835 ( 5.130 -17.998 6.658) 19.864 5.310 ( 8.924 -2.306 -13.007) 15.942 5.472 ( -8.170 -1.914 -1.914) 8.607 5.597 ( -0.440 -0.741 -7.228) 7.280 6.253 ( -18.330 17.698 1.643) 25.532 11.713 ( 8.889 0.766 12.652) 15.482 12.690 ( -40.632 8.577 4.860) 41.811 13.150 ( -38.068 -6.934 -7.711) 39.455 14.842 ( -0.621 6.266 -16.888) 18.023 75.166 ( 1.442 -0.883 -0.559) 1.780 75.254 ( 2.256 -0.446 0.033) 2.300 ======================= Grid point 159 (59/354) ======================= q-point: ( 0.23 0.09 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.540 ( 15.775 -4.389 16.275) 23.087 1.936 ( 18.798 7.432 6.441) 21.215 2.147 ( 6.478 19.408 -2.703) 20.638 3.035 ( 27.253 10.617 15.562) 33.130 3.470 ( -8.482 -2.973 -9.434) 13.030 3.604 ( 15.166 0.157 -8.856) 17.563 4.447 ( -1.673 -9.902 15.071) 18.110 4.858 ( -3.194 -7.900 1.998) 8.753 5.270 ( -10.014 2.560 -1.469) 10.440 5.399 ( 1.140 3.802 -4.803) 6.231 5.568 ( -0.182 -1.002 -6.003) 6.089 5.988 ( -8.581 2.667 -2.177) 9.246 11.396 ( -40.569 -14.951 4.296) 43.450 11.866 ( -45.867 -16.324 -12.893) 50.364 12.789 ( 9.074 28.716 15.911) 34.060 14.790 ( 1.648 8.681 -18.265) 20.290 75.199 ( 2.100 -0.374 -0.243) 2.147 75.312 ( 3.481 -0.496 -0.100) 3.518 ======================= Grid point 160 (60/354) ======================= q-point: ( 0.31 0.09 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.898 ( 15.086 -5.430 8.957) 18.365 2.195 ( 11.659 15.890 -4.683) 20.257 2.481 ( 20.223 5.315 5.581) 21.642 3.231 ( -5.369 -1.317 -10.868) 12.194 3.629 ( 21.067 6.108 11.003) 24.539 3.820 ( 8.689 -1.348 -6.144) 10.726 4.457 ( -2.724 -11.284 12.050) 16.732 4.744 ( -7.447 -0.021 0.274) 7.452 5.056 ( -10.474 8.557 0.324) 13.529 5.365 ( -2.161 5.456 -2.616) 6.425 5.549 ( 0.065 -0.939 -3.909) 4.020 5.848 ( -5.417 -6.484 -4.093) 9.388 10.517 ( -45.415 -6.784 4.149) 46.106 10.940 ( -33.734 -28.216 -15.315) 46.569 13.176 ( 17.580 30.643 14.129) 38.048 14.796 ( 4.579 9.102 -12.937) 16.468 75.249 ( 2.830 -0.097 -0.001) 2.831 75.389 ( 4.009 -0.495 -0.165) 4.043 ======================= Grid point 161 (61/354) ======================= q-point: ( 0.38 0.09 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.203 ( 13.503 -5.693 -0.451) 14.661 2.452 ( 14.385 14.161 -3.491) 20.485 2.854 ( 13.037 -0.760 -3.449) 13.507 3.156 ( 2.206 4.009 -2.153) 5.057 3.880 ( -0.703 -9.562 9.895) 13.778 4.021 ( 11.448 -0.778 -2.686) 11.785 4.396 ( -4.075 0.326 0.384) 4.106 4.609 ( -6.163 3.472 1.953) 7.338 4.891 ( -5.024 10.615 4.884) 12.719 5.320 ( -0.474 2.187 -7.117) 7.460 5.542 ( 0.144 -0.889 -2.703) 2.850 5.709 ( -7.304 -7.502 -2.504) 10.765 9.672 ( -33.298 -6.605 -13.743) 36.623 10.502 ( -10.260 -27.680 12.970) 32.244 13.477 ( 8.487 29.938 -0.675) 31.125 14.903 ( 8.205 8.595 0.810) 11.910 75.307 ( 2.583 0.031 0.258) 2.596 75.465 ( 3.272 -0.465 -0.242) 3.314 ======================= Grid point 162 (62/354) ======================= q-point: ( 0.46 0.09 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.419 ( 8.476 -5.521 -11.023) 14.961 2.697 ( 9.145 13.611 -1.871) 16.504 2.904 ( -3.031 -2.088 -4.812) 6.058 3.294 ( 3.853 0.849 6.430) 7.544 3.822 ( -4.809 -15.139 5.606) 16.845 4.138 ( 3.796 -3.070 -5.690) 7.497 4.343 ( -0.267 5.696 -1.779) 5.974 4.505 ( -5.323 13.366 2.739) 14.645 4.891 ( 0.813 6.206 5.929) 8.621 5.300 ( 1.723 0.567 -12.327) 12.460 5.529 ( -2.518 -3.659 1.969) 4.859 5.560 ( -3.653 -3.743 -4.091) 6.640 9.159 ( -11.413 -5.503 -16.278) 20.628 10.551 ( 6.044 -27.902 31.077) 42.200 13.500 ( -3.194 27.993 -14.390) 31.637 15.113 ( 9.003 8.512 13.707) 18.477 75.347 ( 1.125 0.069 0.522) 1.242 75.511 ( 1.242 -0.442 -0.343) 1.362 ======================= Grid point 163 (63/354) ======================= q-point: (-0.46 0.09 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.406 ( -6.092 -3.910 -12.111) 14.110 2.756 ( -6.791 20.312 2.947) 21.619 2.842 ( 3.842 -11.231 -9.595) 15.264 3.176 ( -15.079 -5.116 1.149) 15.965 3.800 ( -2.264 -9.601 4.564) 10.869 4.200 ( 4.319 -3.860 -3.985) 7.031 4.377 ( 0.122 6.396 -0.274) 6.403 4.453 ( 5.120 14.071 -0.153) 14.974 4.860 ( -6.004 6.073 6.297) 10.611 5.300 ( 2.690 0.104 -16.050) 16.274 5.409 ( -6.898 -3.686 3.350) 8.508 5.639 ( 9.383 -2.531 -1.918) 9.906 9.107 ( 10.740 -4.502 -11.596) 16.434 10.895 ( 14.869 -28.795 37.865) 49.840 13.279 ( -12.194 25.871 -19.401) 34.560 15.320 ( 5.357 7.756 18.405) 20.678 75.352 ( -0.918 0.043 0.731) 1.174 75.509 ( -1.318 -0.448 -0.458) 1.465 ======================= Grid point 164 (64/354) ======================= q-point: (-0.38 0.09 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.153 ( -15.052 -4.400 -2.421) 15.868 2.556 ( -11.954 17.510 3.230) 21.446 2.716 ( -20.127 -3.901 -5.950) 21.348 3.009 ( 8.465 -10.498 -13.979) 19.424 3.631 ( -15.295 3.062 0.729) 15.615 4.229 ( -1.759 -3.639 -1.905) 4.469 4.414 ( 1.147 -1.305 5.442) 5.713 4.628 ( 7.699 5.922 4.147) 10.561 4.807 ( 3.982 11.417 1.664) 12.205 5.211 ( -6.306 -1.176 -9.711) 11.638 5.374 ( 3.461 1.054 -5.756) 6.799 5.870 ( 12.703 -5.114 0.812) 13.718 9.500 ( 30.908 -3.895 -6.325) 31.788 11.364 ( 18.534 -28.921 32.488) 47.280 12.908 ( -17.121 24.302 -17.530) 34.511 15.439 ( 0.220 5.684 17.695) 18.587 75.318 ( -2.550 -0.036 0.782) 2.668 75.459 ( -3.261 -0.486 -0.540) 3.341 ======================= Grid point 165 (65/354) ======================= q-point: (-0.31 0.09 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.804 ( -19.957 -6.852 5.989) 21.934 2.184 ( -24.723 -0.449 -4.927) 25.213 2.407 ( -7.392 19.736 4.319) 21.513 3.152 ( -6.327 -1.428 -9.572) 11.563 3.288 ( -2.109 3.531 -8.069) 9.057 4.097 ( -10.702 -3.507 -1.749) 11.397 4.390 ( -5.082 -7.232 14.196) 16.723 4.765 ( 3.126 0.937 2.197) 3.934 5.010 ( 11.402 7.628 -3.447) 14.145 5.088 ( 0.808 5.669 -8.960) 10.633 5.444 ( 5.241 1.708 -7.339) 9.179 6.141 ( 13.052 -7.281 4.520) 15.614 10.305 ( 49.535 -3.479 -2.093) 49.701 11.778 ( 9.840 -21.875 9.666) 25.860 12.573 ( -6.355 18.320 -3.234) 19.659 15.453 ( -4.024 2.565 14.294) 15.069 75.261 ( -3.121 -0.172 0.528) 3.170 75.383 ( -3.814 -0.538 -0.481) 3.882 ======================= Grid point 166 (66/354) ======================= q-point: (-0.23 0.09 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.377 ( -24.982 -11.779 7.992) 28.753 1.675 ( -23.468 4.406 0.091) 23.878 2.344 ( -1.521 21.439 5.111) 22.092 2.659 ( -27.956 20.676 -2.583) 34.867 3.490 ( 11.929 -9.153 -7.720) 16.902 3.801 ( -16.975 -3.518 -1.795) 17.428 4.346 ( -3.630 -6.572 11.423) 13.670 4.700 ( -7.333 -6.128 -5.523) 11.037 5.122 ( 6.406 10.682 -7.773) 14.683 5.272 ( 11.311 1.747 -1.554) 11.550 5.527 ( 5.118 1.766 -6.621) 8.553 6.430 ( 13.370 -6.646 9.340) 17.612 11.396 ( 43.498 -5.986 2.557) 43.982 11.707 ( 2.846 6.754 -12.699) 14.662 12.824 ( 24.196 -3.554 9.543) 26.252 15.385 ( -6.420 -0.957 9.509) 11.513 75.202 ( -2.693 -0.378 -0.121) 2.722 75.310 ( -3.140 -0.587 -0.216) 3.202 ======================= Grid point 167 (67/354) ======================= q-point: (-0.15 0.09 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.865 ( -26.179 -10.849 4.556) 28.702 1.255 ( -20.459 8.203 12.985) 25.583 2.014 ( -30.764 25.793 2.392) 40.217 2.411 ( 1.653 22.007 2.908) 22.260 3.420 ( -17.436 -1.063 -1.774) 17.558 3.663 ( 5.065 -10.634 -2.462) 12.033 4.307 ( -3.772 -4.044 5.037) 7.480 4.479 ( -11.373 -7.378 -8.169) 15.828 5.202 ( 3.414 7.064 -6.458) 10.161 5.467 ( 8.432 -3.056 -3.012) 9.461 5.602 ( 4.257 1.173 -5.006) 6.675 6.762 ( 16.278 -2.600 12.221) 20.521 11.277 ( -12.582 10.107 -5.733) 17.127 12.722 ( 55.717 -1.384 3.230) 55.827 13.397 ( 28.256 -5.945 1.390) 28.908 15.270 ( -7.022 -3.879 3.998) 8.963 75.153 ( -1.975 -0.645 -0.978) 2.297 75.257 ( -2.102 -0.605 0.098) 2.190 ======================= Grid point 168 (68/354) ======================= q-point: (-0.08 0.09 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.489 ( -6.887 8.493 11.302) 15.725 0.933 ( -16.637 13.123 19.015) 28.471 1.442 ( -26.077 29.564 15.952) 42.527 2.436 ( -0.589 18.318 -0.941) 18.351 3.102 ( -12.003 -0.936 -2.668) 12.331 3.714 ( 1.411 -6.835 -0.346) 6.988 4.118 ( -14.694 -3.590 2.554) 15.340 4.326 ( -1.406 -5.184 -1.868) 5.687 5.218 ( 0.643 2.123 -6.315) 6.694 5.583 ( 4.647 -3.399 -6.560) 8.728 5.664 ( 2.793 -1.599 -1.901) 3.737 7.167 ( 18.749 -0.860 4.873) 19.391 11.122 ( -0.665 16.355 -0.692) 16.384 13.592 ( 25.382 -0.560 2.373) 25.498 13.926 ( 22.204 -8.496 -1.010) 23.796 15.138 ( -6.176 -4.920 -1.805) 8.100 75.111 ( -1.793 -0.532 -1.231) 2.239 75.225 ( -1.162 -0.498 0.322) 1.304 ======================= Grid point 169 (69/354) ======================= q-point: ( 0.00 0.18 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.003 ( 6.931 13.863 21.165) 26.233 1.245 ( -3.677 25.814 7.209) 27.053 1.884 ( 2.378 34.829 16.416) 38.577 2.842 ( 0.680 23.490 -4.074) 23.850 2.945 ( -1.222 0.491 -2.840) 3.130 3.662 ( 0.891 -12.498 8.146) 14.945 3.883 ( 1.825 0.535 2.416) 3.075 4.194 ( 0.964 -8.572 -0.536) 8.643 5.170 ( 0.201 -2.026 -10.318) 10.517 5.541 ( 1.111 -7.710 -1.159) 7.875 5.589 ( -0.399 -3.263 -6.111) 6.940 7.170 ( -3.258 -12.769 -3.329) 13.592 11.607 ( 6.325 21.451 5.895) 23.128 13.789 ( -3.660 0.555 -4.594) 5.899 14.011 ( -2.311 -5.675 2.102) 6.478 14.926 ( -0.041 -6.281 -0.692) 6.319 75.094 ( 0.422 0.108 -0.185) 0.473 75.201 ( -0.082 -0.739 0.362) 0.827 ======================= Grid point 170 (70/354) ======================= q-point: ( 0.08 0.18 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.163 ( -3.319 18.449 21.263) 28.346 1.274 ( 12.016 14.588 15.502) 24.444 2.237 ( 22.037 28.719 13.727) 38.715 2.819 ( -1.910 26.556 -7.396) 27.632 3.039 ( 10.995 1.030 -4.067) 11.768 3.605 ( -5.390 -10.254 7.013) 13.541 4.159 ( 16.138 -10.528 5.129) 19.940 4.224 ( 3.504 -9.709 2.388) 10.595 5.168 ( 3.726 -2.271 -13.082) 13.791 5.503 ( -3.708 -7.031 -0.619) 7.972 5.580 ( 1.021 -2.842 -7.291) 7.892 6.905 ( -19.551 -4.112 -1.839) 20.063 11.767 ( 5.466 19.718 10.743) 23.111 13.496 ( -22.462 4.958 0.459) 23.008 13.661 ( -30.437 -9.887 -3.573) 32.201 14.951 ( 2.444 0.255 -3.860) 4.576 75.116 ( 1.537 -0.519 -0.205) 1.635 75.210 ( 0.877 -0.729 0.285) 1.176 ======================= Grid point 171 (71/354) ======================= q-point: ( 0.15 0.18 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.262 ( 5.669 10.506 23.308) 26.187 1.637 ( 17.646 9.228 14.518) 24.644 2.657 ( 3.860 24.728 -1.039) 25.049 2.827 ( 17.003 22.336 1.143) 28.095 3.310 ( 14.771 0.829 -3.937) 15.309 3.523 ( -3.512 -5.541 1.762) 6.792 4.222 ( -1.711 -11.650 8.973) 14.804 4.535 ( 13.212 -11.872 5.188) 18.504 5.237 ( 7.610 -4.473 -14.948) 17.360 5.415 ( -4.194 -3.759 -1.932) 5.954 5.565 ( 0.011 -2.278 -6.810) 7.181 6.468 ( -22.164 2.183 2.307) 22.390 11.731 ( -17.831 1.070 1.281) 17.909 12.741 ( -52.637 -7.992 -3.675) 53.367 13.183 ( -7.306 14.945 12.879) 21.038 14.984 ( 3.052 6.683 -9.636) 12.117 75.149 ( 1.819 -0.629 -0.232) 1.939 75.241 ( 2.157 -0.794 0.105) 2.301 ======================= Grid point 172 (72/354) ======================= q-point: ( 0.23 0.18 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.514 ( 10.959 2.734 19.756) 22.757 2.054 ( 18.576 5.495 9.574) 21.608 2.624 ( 0.936 23.173 -7.849) 24.484 3.245 ( 9.886 6.350 4.432) 12.558 3.400 ( 6.723 -1.925 -4.198) 8.157 3.662 ( 11.945 6.266 -1.138) 13.537 4.218 ( -1.399 -10.524 13.960) 17.538 4.718 ( 4.038 -5.991 2.310) 7.586 5.299 ( -2.387 -1.238 -4.396) 5.154 5.374 ( 5.657 -4.429 -12.130) 14.098 5.541 ( -0.120 -1.581 -5.781) 5.995 6.054 ( -19.820 2.044 5.294) 20.616 11.061 ( -40.856 -16.168 -3.311) 44.064 11.554 ( -59.192 -14.727 -11.331) 62.040 13.400 ( 16.902 30.869 24.569) 42.921 15.010 ( 3.626 11.871 -14.203) 18.863 75.191 ( 2.476 -0.308 -0.144) 2.499 75.298 ( 3.432 -0.875 -0.037) 3.542 ======================= Grid point 173 (73/354) ======================= q-point: ( 0.31 0.18 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.810 ( 12.285 -2.111 12.590) 17.717 2.395 ( 13.103 3.658 -5.156) 14.549 2.731 ( 12.013 15.423 0.715) 19.562 3.206 ( -2.644 -0.080 -4.329) 5.074 3.707 ( 8.023 -1.738 11.481) 14.114 3.799 ( 5.407 0.175 -2.143) 5.818 4.315 ( 7.317 0.234 7.049) 10.163 4.745 ( -0.916 0.466 -0.429) 1.114 5.200 ( -5.444 4.701 -2.176) 7.514 5.427 ( 2.183 -2.800 -11.972) 12.487 5.526 ( 0.336 -1.128 -4.061) 4.228 5.713 ( -15.136 -3.690 5.988) 16.690 10.292 ( -32.833 -20.735 8.311) 39.711 10.378 ( -49.134 -18.698 -19.484) 56.066 13.859 ( 18.317 34.451 18.556) 43.205 15.041 ( 4.567 14.171 -13.011) 19.773 75.248 ( 3.060 -0.003 -0.002) 3.060 75.375 ( 4.022 -0.897 -0.138) 4.123 ======================= Grid point 174 (74/354) ======================= q-point: ( 0.38 0.18 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.079 ( 11.208 -5.421 2.998) 12.806 2.602 ( 12.307 0.437 -16.736) 20.778 3.019 ( 10.593 12.770 4.301) 17.140 3.199 ( 2.963 0.006 6.662) 7.291 3.663 ( -8.575 -8.566 12.992) 17.768 3.986 ( 8.458 -1.976 -6.595) 10.906 4.469 ( 3.280 5.609 -0.056) 6.498 4.727 ( 1.111 7.665 1.227) 7.842 5.080 ( -5.182 6.914 0.116) 8.642 5.377 ( -2.238 2.525 -10.029) 10.581 5.500 ( -8.109 -11.282 2.830) 14.179 5.524 ( 0.513 -0.957 -3.280) 3.455 9.477 ( -31.717 -12.573 -16.283) 37.805 9.891 ( -11.916 -29.167 17.655) 36.116 14.171 ( 7.672 35.689 -0.338) 36.506 15.138 ( 7.933 13.783 -0.254) 15.905 75.309 ( 2.694 0.178 0.197) 2.707 75.451 ( 3.308 -0.874 -0.245) 3.430 ======================= Grid point 175 (75/354) ======================= q-point: ( 0.46 0.18 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.261 ( 7.156 -9.171 -9.153) 14.802 2.712 ( 0.940 -3.555 -14.202) 14.670 3.106 ( -0.466 0.933 9.691) 9.747 3.336 ( 0.912 12.208 7.691) 14.457 3.578 ( 0.031 -6.933 5.273) 8.711 4.070 ( 2.554 -3.513 -5.650) 7.126 4.458 ( -0.162 5.704 -2.120) 6.088 4.766 ( -0.598 11.149 0.818) 11.195 5.036 ( 0.084 7.041 2.184) 7.373 5.321 ( 0.778 1.395 -12.961) 13.059 5.368 ( -5.995 -9.691 4.904) 12.406 5.524 ( 1.139 -0.904 -3.783) 4.053 9.003 ( -10.037 -9.463 -12.920) 18.900 9.910 ( 4.447 -32.399 30.570) 44.766 14.155 ( -5.185 34.052 -17.810) 38.777 15.341 ( 8.708 13.158 11.925) 19.778 75.350 ( 1.147 0.239 0.417) 1.244 75.498 ( 1.258 -0.850 -0.364) 1.561 ======================= Grid point 176 (76/354) ======================= q-point: (-0.46 0.18 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.271 ( -3.211 -9.965 -16.303) 19.375 2.587 ( -5.872 -11.528 -5.050) 13.888 3.012 ( -12.120 -7.556 0.739) 14.302 3.282 ( -5.638 26.189 1.578) 26.836 3.650 ( 1.695 -5.539 9.178) 10.853 4.110 ( 3.776 -5.180 -4.447) 7.802 4.491 ( 2.382 5.345 -0.387) 5.865 4.736 ( -0.898 11.713 0.148) 11.749 5.008 ( -3.080 7.732 1.604) 8.476 5.271 ( -2.887 -4.833 -6.286) 8.439 5.343 ( 2.575 -0.075 -3.572) 4.404 5.581 ( 6.020 -2.678 -1.938) 6.868 8.980 ( 10.845 -7.756 -7.023) 15.070 10.228 ( 14.516 -34.350 36.417) 52.123 13.882 ( -14.103 31.600 -23.455) 41.804 15.520 ( 3.885 10.955 13.495) 17.811 75.354 ( -0.969 0.194 0.594) 1.153 75.496 ( -1.342 -0.858 -0.485) 1.664 ======================= Grid point 177 (77/354) ======================= q-point: (-0.38 0.18 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.016 ( -16.849 -8.988 -3.631) 19.439 2.526 ( -0.210 -13.595 -12.234) 18.290 2.699 ( -13.133 -6.202 -6.227) 15.802 3.145 ( -6.515 25.291 -0.727) 26.127 3.656 ( -4.860 -1.097 8.828) 10.137 4.140 ( -1.383 -4.851 -1.484) 5.258 4.464 ( -7.000 5.165 1.990) 8.924 4.759 ( 2.708 6.549 4.732) 8.522 5.026 ( 5.560 9.447 -2.110) 11.163 5.181 ( -2.062 -1.644 -8.689) 9.081 5.409 ( 5.115 2.278 -5.254) 7.679 5.731 ( 8.339 -7.939 1.001) 11.558 9.387 ( 30.794 -7.049 -1.745) 31.639 10.714 ( 21.307 -33.283 32.774) 51.341 13.454 ( -19.518 28.605 -22.685) 41.398 15.577 ( -2.334 6.958 10.505) 12.815 75.318 ( -2.667 0.063 0.638) 2.743 75.445 ( -3.314 -0.901 -0.561) 3.480 ======================= Grid point 178 (78/354) ======================= q-point: (-0.31 0.18 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.614 ( -22.099 -10.476 2.641) 24.599 2.225 ( -19.572 4.845 -3.228) 20.419 2.718 ( 8.554 -7.050 -6.783) 12.995 3.071 ( 1.720 14.919 -7.690) 16.872 3.502 ( -12.481 9.155 3.824) 15.944 4.020 ( -10.208 -3.815 -0.290) 10.901 4.291 ( -9.484 -1.031 9.017) 13.127 4.762 ( -5.246 -0.612 1.827) 5.588 5.182 ( 7.862 6.772 -2.381) 10.646 5.190 ( 7.347 5.016 -11.563) 14.589 5.497 ( 4.675 3.165 -4.373) 7.141 5.934 ( 11.518 -12.663 4.493) 17.697 10.203 ( 48.950 -6.404 2.389) 49.425 11.288 ( 25.571 -25.510 18.818) 40.728 12.991 ( -17.411 23.061 -16.073) 33.065 15.505 ( -7.332 1.790 6.385) 9.886 75.257 ( -3.303 -0.126 0.442) 3.335 75.368 ( -3.872 -0.960 -0.502) 4.020 ======================= Grid point 179 (79/354) ======================= q-point: (-0.23 0.18 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.166 ( -22.252 -7.180 3.437) 23.633 1.830 ( -18.975 10.368 2.936) 21.821 2.809 ( -0.451 16.565 2.360) 16.738 3.077 ( -8.340 16.075 -5.273) 18.862 3.290 ( 0.957 -2.147 -4.136) 4.757 3.740 ( -16.204 -2.045 -1.376) 16.390 4.188 ( -3.955 -7.655 10.134) 13.301 4.599 ( -10.039 -3.998 -2.219) 11.032 5.262 ( 4.265 1.400 -7.577) 8.807 5.338 ( 5.899 5.433 -5.285) 9.604 5.558 ( 2.962 0.712 -3.461) 4.610 6.245 ( 17.058 -11.130 7.363) 21.658 11.273 ( 45.946 -5.966 7.297) 46.903 11.786 ( 23.610 -0.809 -7.677) 24.840 12.814 ( 7.936 5.108 1.193) 9.513 15.342 ( -9.825 -3.749 2.756) 10.871 75.194 ( -2.933 -0.320 -0.020) 2.950 75.294 ( -3.168 -1.004 -0.251) 3.333 ======================= Grid point 180 (80/354) ======================= q-point: (-0.15 0.18 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.808 ( -11.991 5.595 5.559) 14.352 1.493 ( -15.958 15.078 9.964) 24.110 2.557 ( -23.001 25.751 1.496) 34.560 2.939 ( -1.704 27.126 0.083) 27.180 3.341 ( -8.610 -9.775 -0.681) 13.044 3.454 ( -1.595 -4.909 -2.651) 5.803 4.175 ( -0.690 -8.701 4.779) 9.951 4.349 ( -13.591 -4.892 -2.591) 14.675 5.278 ( -0.376 -0.013 -7.811) 7.820 5.415 ( 4.302 -1.921 -3.891) 6.111 5.600 ( 2.059 -1.594 -3.236) 4.153 6.650 ( 19.710 -8.793 6.796) 22.627 11.541 ( -3.290 15.132 -4.895) 16.240 12.694 ( 53.916 -1.249 0.133) 53.931 13.259 ( 27.839 -6.704 4.595) 29.001 15.147 ( -9.406 -8.340 0.451) 12.579 75.141 ( -2.129 -0.391 -0.498) 2.221 75.241 ( -2.032 -0.975 0.063) 2.255 ======================= Grid point 181 (81/354) ======================= q-point: (-0.08 0.18 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.796 ( 6.407 17.522 12.004) 22.185 1.284 ( -7.697 21.223 13.334) 26.219 2.090 ( -21.855 32.353 7.399) 39.738 2.884 ( -3.200 22.051 -3.082) 22.494 3.081 ( -10.719 0.521 -1.617) 10.853 3.541 ( 5.489 -9.846 3.475) 11.796 4.050 ( -13.709 -2.070 1.478) 13.943 4.186 ( 0.068 -8.518 -0.483) 8.532 5.221 ( -1.729 -1.640 -8.378) 8.710 5.490 ( 4.035 -5.628 -3.201) 7.629 5.612 ( 0.283 -3.406 -3.746) 5.071 7.036 ( 15.001 -11.600 1.858) 19.053 11.502 ( 2.044 20.746 -0.453) 20.851 13.576 ( 28.289 -1.052 1.326) 28.340 13.779 ( 20.804 -5.857 0.535) 21.619 14.987 ( -5.871 -9.963 -0.307) 11.569 75.105 ( -1.233 -0.077 -0.536) 1.346 75.211 ( -0.993 -0.841 0.286) 1.333 ======================= Grid point 182 (82/354) ======================= q-point: ( 0.00 0.27 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.303 ( 5.556 15.663 17.204) 23.921 1.767 ( -3.286 25.345 3.886) 25.851 2.524 ( 1.439 23.698 7.753) 24.975 2.937 ( 1.097 2.679 1.854) 3.438 3.296 ( 1.101 16.269 -2.520) 16.499 3.418 ( 1.449 -9.829 3.965) 10.697 3.980 ( -2.630 -0.754 -0.473) 2.776 3.996 ( 0.613 1.270 -0.638) 1.548 5.099 ( -0.054 -6.099 -6.153) 8.664 5.367 ( -0.104 -7.754 -2.921) 8.287 5.527 ( 0.633 -2.980 -6.286) 6.985 6.821 ( -1.508 -20.854 -0.603) 20.917 12.078 ( 5.916 24.585 8.150) 26.568 13.779 ( -3.261 -3.036 -6.674) 8.024 13.917 ( -2.506 -2.080 2.537) 4.128 14.758 ( 4.953 -10.150 7.193) 13.390 75.099 ( 0.205 0.328 -0.220) 0.445 75.184 ( -0.017 -0.974 0.287) 1.016 ======================= Grid point 183 (83/354) ======================= q-point: ( 0.08 0.27 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.491 ( 4.239 15.449 22.740) 27.817 1.684 ( -1.686 23.054 4.529) 23.555 2.727 ( 13.428 14.328 5.143) 20.298 3.041 ( 6.177 3.859 3.106) 7.918 3.367 ( 6.539 21.309 -4.987) 22.840 3.440 ( -0.974 -3.355 4.568) 5.751 3.973 ( 0.855 -10.809 2.765) 11.190 4.073 ( 8.770 -0.090 -0.009) 8.770 5.101 ( 2.767 -5.051 -9.327) 10.962 5.346 ( -0.847 -7.459 -2.991) 8.081 5.520 ( 0.734 -2.928 -6.521) 7.186 6.667 ( -12.689 -17.742 -0.189) 21.813 12.172 ( -3.641 19.528 7.409) 21.202 13.440 ( -30.387 -10.153 -6.004) 32.596 13.653 ( -16.963 9.190 8.161) 20.947 14.914 ( 7.403 -4.239 5.207) 9.995 75.112 ( 1.131 0.082 -0.150) 1.144 75.193 ( 0.854 -0.963 0.260) 1.313 ======================= Grid point 184 (84/354) ======================= q-point: ( 0.15 0.27 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.555 ( -1.478 17.266 22.827) 28.660 1.863 ( 13.128 12.946 9.327) 20.662 3.045 ( 14.154 7.751 3.908) 16.604 3.075 ( -0.861 0.562 -8.925) 8.984 3.360 ( -3.974 6.362 3.245) 8.173 3.616 ( 13.667 15.166 1.400) 20.463 4.006 ( 1.496 -6.893 7.296) 10.148 4.337 ( 14.521 -7.159 2.292) 16.351 5.138 ( 4.410 -5.346 -13.788) 15.432 5.322 ( -0.149 -5.190 -3.322) 6.164 5.511 ( 0.600 -2.811 -6.135) 6.775 6.356 ( -17.324 -12.047 3.003) 21.314 11.763 ( -38.092 2.243 -4.858) 38.466 12.511 ( -55.822 -12.238 -6.974) 57.572 13.607 ( 8.050 23.927 24.535) 35.204 15.082 ( 8.278 2.391 -0.723) 8.647 75.142 ( 1.890 -0.061 -0.135) 1.896 75.222 ( 2.060 -1.023 0.144) 2.305 ======================= Grid point 185 (85/354) ======================= q-point: ( 0.23 0.27 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.656 ( 3.662 10.919 22.496) 25.273 2.184 ( 14.748 7.472 7.427) 18.124 2.927 ( -5.284 3.862 -12.498) 14.107 3.291 ( -3.818 0.069 8.173) 9.021 3.385 ( 14.103 -1.074 0.403) 14.150 3.804 ( 2.949 6.512 3.802) 8.097 4.160 ( 11.806 6.458 6.164) 14.801 4.606 ( 10.596 -4.439 2.208) 11.699 5.168 ( 3.431 -9.073 -17.681) 20.167 5.321 ( 1.052 -2.101 -3.259) 4.017 5.504 ( 0.732 -1.957 -5.229) 5.631 6.019 ( -17.319 -5.681 7.227) 19.607 10.786 ( -50.801 -10.244 -7.386) 52.348 11.268 ( -61.298 -13.403 -7.784) 63.228 14.019 ( 20.471 29.573 27.632) 45.355 15.231 ( 7.524 9.003 -7.354) 13.847 75.189 ( 2.749 0.069 -0.107) 2.752 75.278 ( 3.354 -1.112 0.013) 3.534 ======================= Grid point 186 (86/354) ======================= q-point: ( 0.31 0.27 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.837 ( 6.759 4.869 17.746) 19.604 2.454 ( 10.155 3.221 -5.275) 11.888 2.885 ( 6.188 -0.122 -2.905) 6.837 3.227 ( -5.964 -2.129 10.932) 12.634 3.586 ( 3.904 -5.395 4.756) 8.183 3.876 ( 5.929 7.935 -1.160) 9.973 4.425 ( 10.827 5.972 2.582) 12.632 4.782 ( 6.935 4.262 0.292) 8.146 5.140 ( -0.448 -13.029 -16.912) 21.354 5.330 ( 0.314 -0.733 -2.802) 2.914 5.508 ( 1.114 -0.727 -3.764) 3.992 5.712 ( -15.369 0.718 8.257) 17.462 9.827 ( -39.246 -19.157 -6.062) 44.091 10.107 ( -48.500 -12.576 -3.292) 50.212 14.525 ( 19.442 30.399 20.643) 41.572 15.332 ( 5.762 13.425 -10.854) 18.199 75.251 ( 3.301 0.296 -0.034) 3.314 75.354 ( 4.004 -1.171 -0.110) 4.173 ======================= Grid point 187 (87/354) ======================= q-point: ( 0.38 0.27 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.019 ( 5.934 0.093 7.993) 9.956 2.606 ( 10.407 1.438 -16.289) 19.383 3.056 ( -5.376 -9.141 16.628) 19.722 3.163 ( 6.776 -2.949 8.659) 11.384 3.645 ( 3.178 3.257 -1.170) 4.699 4.002 ( 5.629 5.454 -2.959) 8.378 4.566 ( 2.449 3.132 -0.486) 4.006 4.887 ( 2.188 4.400 -3.007) 5.761 5.078 ( 1.309 -7.160 -7.162) 10.211 5.299 ( -2.864 -0.905 -0.046) 3.004 5.476 ( -8.567 3.591 0.245) 9.292 5.519 ( 0.736 0.390 -2.234) 2.384 9.159 ( -24.886 -17.525 -10.900) 32.330 9.413 ( -20.372 -17.598 15.018) 30.826 14.858 ( 7.606 30.811 -0.007) 31.736 15.430 ( 7.464 14.067 -1.733) 16.019 75.315 ( 2.836 0.474 0.096) 2.877 75.430 ( 3.323 -1.188 -0.238) 3.537 ======================= Grid point 188 (88/354) ======================= q-point: ( 0.46 0.27 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.097 ( 1.221 -5.852 -6.835) 9.081 2.666 ( -6.379 -1.786 -8.244) 10.575 2.936 ( -2.857 -9.862 12.037) 15.821 3.398 ( 7.795 -4.790 9.558) 13.231 3.731 ( 6.535 10.089 -5.680) 13.295 4.041 ( -1.729 3.555 -1.464) 4.215 4.564 ( -0.087 4.440 -2.138) 4.929 4.860 ( -1.334 -5.649 -2.598) 6.359 5.146 ( 3.075 4.806 -1.137) 5.818 5.234 ( -3.160 -0.177 3.360) 4.616 5.377 ( -0.308 3.583 -6.816) 7.707 5.522 ( 0.475 0.719 -2.452) 2.599 8.791 ( -7.804 -10.939 -6.347) 14.861 9.311 ( 1.024 -25.413 26.374) 36.639 14.821 ( -6.274 30.485 -19.931) 36.959 15.610 ( 7.404 12.432 7.866) 16.469 75.358 ( 1.179 0.541 0.254) 1.322 75.477 ( 1.268 -1.184 -0.371) 1.774 ======================= Grid point 189 (89/354) ======================= q-point: (-0.46 0.27 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.033 ( -2.535 -11.650 -20.133) 23.399 2.370 ( -17.578 -10.554 2.684) 20.678 2.906 ( -5.599 -1.657 -1.625) 6.061 3.518 ( 0.786 -4.886 13.042) 13.949 3.805 ( -1.953 20.329 -3.117) 20.659 3.993 ( 2.431 -5.868 -3.256) 7.137 4.583 ( 1.519 3.360 -0.531) 3.726 4.846 ( 0.500 -2.669 -0.728) 2.811 5.151 ( -0.073 6.134 -1.997) 6.451 5.199 ( -2.452 0.618 2.119) 3.299 5.389 ( 3.034 3.822 -7.554) 8.993 5.544 ( 2.555 -0.859 -1.073) 2.902 8.807 ( 10.684 -8.695 -0.359) 13.780 9.570 ( 13.768 -29.140 31.970) 45.396 14.518 ( -15.212 30.299 -26.147) 42.815 15.726 ( 1.129 8.450 5.639) 10.222 75.360 ( -1.038 0.483 0.383) 1.207 75.475 ( -1.357 -1.181 -0.491) 1.865 ======================= Grid point 190 (90/354) ======================= q-point: (-0.38 0.27 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.811 ( -15.826 -10.482 -9.857) 21.389 2.148 ( 1.596 -19.902 -13.706) 24.218 2.699 ( -12.802 3.992 -2.648) 13.669 3.530 ( -3.882 0.577 13.019) 13.598 3.688 ( -5.825 13.780 0.654) 14.975 4.049 ( 0.201 -3.106 -1.391) 3.409 4.553 ( -5.887 2.497 0.091) 6.395 4.889 ( 1.770 5.224 0.957) 5.598 5.115 ( 0.295 -1.500 -3.712) 4.015 5.207 ( 3.642 5.502 -3.342) 7.397 5.454 ( 5.696 1.621 -4.730) 7.579 5.591 ( 1.548 -4.556 0.433) 4.831 9.228 ( 30.340 -8.138 4.420) 31.722 10.068 ( 24.761 -29.214 30.576) 49.004 14.049 ( -21.451 29.544 -27.098) 45.468 15.686 ( -6.030 3.058 0.733) 6.801 75.321 ( -2.811 0.323 0.415) 2.860 75.423 ( -3.350 -1.186 -0.562) 3.598 ======================= Grid point 191 (91/354) ======================= q-point: (-0.31 0.27 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.422 ( -18.196 -7.777 -2.850) 19.993 2.273 ( 7.231 -12.891 -13.130) 19.770 2.445 ( -4.635 0.131 -4.706) 6.607 3.472 ( -4.605 9.635 7.920) 13.296 3.599 ( -4.677 6.817 4.202) 9.274 3.961 ( -8.204 -0.680 1.158) 8.313 4.357 ( -12.555 5.417 0.757) 13.694 4.781 ( -10.261 3.857 1.235) 11.031 5.221 ( 5.666 0.097 -9.569) 11.121 5.316 ( 8.885 3.611 -3.353) 10.160 5.548 ( 1.402 1.126 -2.419) 3.014 5.659 ( 9.436 -12.803 3.806) 16.354 10.058 ( 48.825 -7.314 7.872) 49.994 10.780 ( 36.578 -23.622 21.576) 48.595 13.504 ( -22.391 27.097 -23.887) 42.500 15.498 ( -11.615 -2.999 -3.608) 12.526 75.257 ( -3.468 0.130 0.280) 3.482 75.345 ( -3.909 -1.198 -0.511) 4.120 ======================= Grid point 192 (92/354) ======================= q-point: (-0.23 0.27 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.114 ( -10.396 2.002 -1.168) 10.651 2.082 ( -13.744 13.989 4.065) 20.028 2.667 ( 16.414 -19.254 -12.318) 28.140 3.397 ( -6.122 10.464 5.932) 13.497 3.490 ( -7.572 9.630 2.526) 12.508 3.758 ( -11.244 5.845 -1.295) 12.738 4.110 ( -10.665 2.120 4.079) 11.614 4.552 ( -12.154 0.641 0.292) 12.174 5.255 ( 1.012 -1.387 -5.812) 6.060 5.409 ( 1.203 1.115 -6.684) 6.883 5.534 ( -0.132 -3.523 -1.261) 3.745 5.996 ( 19.434 -12.945 4.959) 23.872 11.161 ( 51.811 -4.826 11.067) 53.199 11.660 ( 44.984 -10.326 4.429) 46.366 13.072 ( -10.415 19.329 -13.377) 25.710 15.216 ( -13.994 -8.965 -5.663) 17.558 75.190 ( -3.038 0.004 -0.018) 3.038 75.271 ( -3.165 -1.203 -0.299) 3.399 ======================= Grid point 193 (93/354) ======================= q-point: (-0.15 0.27 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.030 ( 1.800 14.439 2.649) 14.790 1.853 ( -10.093 19.828 7.889) 23.606 2.829 ( -0.130 -8.844 -5.185) 10.253 3.220 ( -12.240 11.354 4.087) 17.189 3.362 ( -3.988 3.350 -0.338) 5.219 3.533 ( -8.700 15.917 -3.584) 18.490 3.998 ( -2.653 -6.632 4.548) 8.468 4.304 ( -12.032 2.230 1.103) 12.286 5.221 ( -2.648 -4.999 -3.921) 6.883 5.382 ( -0.258 -1.547 -5.704) 5.916 5.538 ( 0.736 -4.286 -3.206) 5.403 6.404 ( 18.251 -15.109 4.134) 24.051 11.858 ( 12.212 15.145 -0.274) 19.457 12.661 ( 52.084 -2.617 -2.145) 52.193 13.178 ( 22.320 0.375 3.867) 22.655 14.926 ( -12.195 -13.569 -4.274) 18.738 75.138 ( -2.034 0.044 -0.294) 2.056 75.219 ( -1.930 -1.160 -0.022) 2.252 ======================= Grid point 194 (94/354) ======================= q-point: (-0.08 0.27 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.148 ( 5.825 17.190 9.583) 20.524 1.761 ( -1.405 24.835 7.910) 26.102 2.653 ( -12.535 15.906 2.399) 20.393 3.003 ( -8.140 4.041 1.554) 9.220 3.334 ( -1.322 0.112 -1.984) 2.386 3.399 ( -2.603 9.160 -0.287) 9.527 3.986 ( -0.270 -10.285 1.443) 10.389 4.099 ( -8.179 9.085 0.872) 12.256 5.146 ( -2.691 -6.447 -4.290) 8.198 5.372 ( 0.608 -5.131 -4.057) 6.570 5.536 ( 0.515 -3.809 -5.054) 6.350 6.720 ( 10.915 -19.014 1.659) 21.987 11.961 ( 3.653 24.223 0.808) 24.511 13.538 ( 30.513 -3.079 -0.882) 30.681 13.693 ( 20.932 -2.339 2.383) 21.197 14.734 ( -5.042 -14.810 1.404) 15.707 75.107 ( -0.924 0.253 -0.342) 1.018 75.191 ( -0.846 -1.058 0.190) 1.368 ======================= Grid point 195 (95/354) ======================= q-point: ( 0.00 0.36 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.636 ( 5.596 16.955 13.379) 22.311 2.265 ( -3.708 23.405 1.783) 23.764 2.608 ( 3.124 -9.803 4.520) 11.238 3.110 ( -3.666 3.804 4.733) 7.093 3.353 ( 6.083 3.304 -2.958) 7.528 3.496 ( 1.280 5.815 3.271) 6.794 3.785 ( -1.005 -3.657 1.344) 4.023 4.370 ( -3.105 21.737 -5.717) 22.690 4.899 ( -0.405 -11.687 1.398) 11.777 5.269 ( 0.213 -2.518 -10.888) 11.177 5.477 ( 0.578 -1.431 -3.618) 3.934 6.348 ( -1.675 -25.075 0.684) 25.140 12.585 ( 3.789 24.690 7.076) 25.961 13.648 ( -5.765 -9.074 -6.839) 12.742 13.944 ( 1.537 3.813 4.785) 6.309 14.521 ( 9.181 -12.824 13.407) 20.700 75.108 ( 0.129 0.584 -0.185) 0.626 75.163 ( 0.042 -1.070 0.175) 1.085 ======================= Grid point 196 (96/354) ======================= q-point: ( 0.08 0.36 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.819 ( 6.329 16.799 18.516) 25.790 2.150 ( -5.983 22.413 1.518) 23.247 2.731 ( 7.065 -8.913 6.577) 13.138 3.092 ( -0.294 -2.247 -0.064) 2.267 3.479 ( 2.745 0.248 1.590) 3.182 3.607 ( 7.993 0.648 3.395) 8.709 3.844 ( 8.219 6.838 3.537) 11.261 4.308 ( 0.107 20.369 -8.098) 21.920 4.934 ( 3.392 -10.767 -1.048) 11.337 5.237 ( 0.312 -3.543 -11.274) 11.821 5.472 ( 0.302 -1.320 -4.157) 4.372 6.236 ( -8.875 -23.476 0.678) 25.106 12.536 ( -16.231 15.909 1.757) 22.795 13.236 ( -33.349 -9.870 -6.029) 35.298 13.891 ( -3.114 14.032 15.776) 21.342 14.772 ( 11.126 -9.741 13.226) 19.839 75.118 ( 0.945 0.499 -0.121) 1.075 75.172 ( 0.841 -1.065 0.191) 1.370 ======================= Grid point 197 (97/354) ======================= q-point: ( 0.15 0.36 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.933 ( -3.407 19.401 22.495) 29.901 2.152 ( 7.040 15.133 3.019) 16.961 2.905 ( 5.836 -10.716 3.913) 12.814 3.070 ( -1.499 -7.476 1.139) 7.709 3.443 ( -3.825 0.748 3.127) 4.997 3.805 ( 9.388 -1.443 0.046) 9.498 4.094 ( 11.159 13.787 3.526) 18.084 4.373 ( 10.251 13.993 -4.321) 17.876 5.003 ( 3.905 -8.416 -8.602) 12.652 5.213 ( 1.334 -5.425 -8.249) 9.962 5.466 ( 0.610 -1.224 -4.306) 4.518 6.033 ( -10.935 -18.348 3.290) 21.611 11.826 ( -50.015 4.093 -6.519) 50.604 12.276 ( -57.069 -10.651 -6.396) 58.405 14.101 ( 15.148 23.878 26.681) 38.878 15.061 ( 13.357 -4.739 8.635) 16.596 75.146 ( 1.885 0.436 -0.098) 1.937 75.200 ( 1.982 -1.113 0.127) 2.277 ======================= Grid point 198 (98/354) ======================= q-point: ( 0.23 0.36 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.936 ( -2.542 16.042 23.411) 28.493 2.356 ( 10.206 9.278 3.690) 14.277 2.870 ( -4.919 -6.526 -9.097) 12.229 3.091 ( -3.410 -15.811 22.796) 27.951 3.453 ( 5.357 5.135 -4.570) 8.715 3.953 ( 5.784 2.762 -2.192) 6.774 4.281 ( 8.048 5.233 1.318) 9.690 4.658 ( 15.625 11.229 0.137) 19.242 4.986 ( -1.098 -8.848 -17.390) 19.542 5.258 ( 4.314 -4.330 -2.271) 6.520 5.471 ( 1.359 -0.818 -3.847) 4.162 5.845 ( -9.100 -10.517 6.250) 15.247 10.657 ( -58.756 -2.535 -7.218) 59.252 11.014 ( -62.167 -11.512 -5.748) 63.484 14.579 ( 21.218 25.020 25.602) 41.613 15.344 ( 12.251 1.565 1.504) 12.442 75.195 ( 2.919 0.515 -0.096) 2.966 75.254 ( 3.261 -1.204 0.022) 3.476 ======================= Grid point 199 (99/354) ======================= q-point: ( 0.31 0.36 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.001 ( 0.938 10.984 22.556) 25.106 2.536 ( 6.994 4.576 -4.935) 9.706 2.821 ( 2.784 -5.141 4.868) 7.608 3.046 ( -6.966 -12.260 17.833) 22.734 3.567 ( 6.555 2.364 -6.163) 9.303 4.050 ( 5.136 4.333 -2.775) 7.270 4.440 ( 7.071 -1.964 0.657) 7.368 4.869 ( -4.091 -10.595 -16.390) 19.940 4.946 ( 12.251 10.411 0.091) 16.077 5.328 ( 2.204 -0.563 -0.895) 2.444 5.495 ( 2.088 -0.329 -3.131) 3.777 5.691 ( -8.522 -2.836 5.184) 10.371 9.558 ( -44.868 -7.299 -4.605) 45.691 9.856 ( -48.329 -11.899 -1.857) 49.807 15.071 ( 18.686 22.859 18.044) 34.602 15.549 ( 8.503 7.191 -5.306) 12.336 75.261 ( 3.509 0.689 -0.077) 3.577 75.328 ( 3.940 -1.301 -0.096) 4.150 ======================= Grid point 200 (100/354) ======================= q-point: ( 0.38 0.36 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.089 ( -0.079 6.575 14.387) 15.818 2.674 ( 10.266 3.940 -6.792) 12.924 2.816 ( -12.053 -11.392 17.547) 24.145 3.086 ( 9.234 -4.457 5.668) 11.716 3.669 ( 5.981 0.721 -6.662) 8.982 4.141 ( 4.279 2.773 -3.029) 5.931 4.566 ( 5.100 -3.772 0.761) 6.389 4.724 ( -4.967 -8.206 -10.852) 14.483 5.153 ( 8.000 7.822 0.195) 11.191 5.325 ( -2.147 1.718 0.197) 2.757 5.527 ( 1.166 0.619 -3.263) 3.520 5.538 ( -6.004 1.661 0.231) 6.233 8.870 ( -22.576 -9.344 -0.686) 24.443 9.117 ( -24.778 -12.516 6.962) 28.619 15.391 ( 7.673 21.178 -0.063) 22.525 15.677 ( 7.037 9.550 -2.783) 12.184 75.328 ( 2.982 0.849 -0.019) 3.100 75.404 ( 3.296 -1.369 -0.219) 3.576 ======================= Grid point 201 (101/354) ======================= q-point: ( 0.46 0.36 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.050 ( -6.107 1.389 -1.693) 6.488 2.545 ( -18.541 -10.270 9.999) 23.435 2.874 ( 8.936 4.128 -2.661) 10.196 3.292 ( 6.817 -5.573 8.376) 12.153 3.774 ( 6.962 -0.777 -6.896) 9.830 4.166 ( -1.482 1.609 -3.595) 4.208 4.627 ( -0.902 0.334 -3.988) 4.103 4.659 ( 3.319 -6.564 1.076) 7.433 5.255 ( 1.705 4.102 0.152) 4.445 5.272 ( -2.292 2.766 0.997) 3.728 5.459 ( 0.477 4.159 -4.734) 6.319 5.544 ( 0.410 1.131 -2.069) 2.393 8.595 ( -5.650 -7.146 2.653) 9.488 8.893 ( -2.746 -16.048 17.914) 24.207 15.364 ( -5.437 22.524 -18.495) 29.647 15.813 ( 4.735 6.878 1.455) 8.476 75.373 ( 1.213 0.913 0.063) 1.520 75.451 ( 1.267 -1.391 -0.338) 1.912 ======================= Grid point 202 (102/354) ======================= q-point: (-0.46 0.36 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.856 ( -8.537 -4.988 -17.758) 20.325 2.153 ( -21.638 -10.491 2.815) 24.211 2.945 ( -1.785 4.997 -0.817) 5.368 3.400 ( 0.723 -6.574 11.404) 13.183 3.891 ( 4.425 -3.081 -2.744) 6.050 4.087 ( -2.421 5.021 -5.550) 7.866 4.619 ( -0.317 0.436 -0.062) 0.542 4.732 ( 3.926 -4.374 1.687) 6.115 5.246 ( -1.812 3.276 -1.355) 3.982 5.265 ( 1.378 3.930 0.192) 4.169 5.476 ( 1.104 4.129 -5.123) 6.672 5.543 ( 0.603 0.451 -1.064) 1.303 8.656 ( 10.409 -5.256 7.104) 13.654 9.073 ( 12.476 -19.728 24.299) 33.694 15.086 ( -14.233 25.142 -25.122) 38.286 15.833 ( -2.726 1.555 -3.740) 4.883 75.374 ( -1.121 0.845 0.132) 1.410 75.449 ( -1.343 -1.363 -0.441) 1.964 ======================= Grid point 203 (103/354) ======================= q-point: (-0.38 0.36 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.615 ( -11.619 -8.249 -18.560) 23.399 1.786 ( -6.687 -14.927 -11.656) 20.085 2.826 ( -8.974 8.091 1.289) 12.152 3.415 ( -2.938 -8.101 13.155) 15.726 3.869 ( -4.714 1.762 2.179) 5.484 4.078 ( 0.794 3.502 -4.989) 6.147 4.578 ( -4.295 1.490 1.800) 4.889 4.878 ( 10.876 -5.281 -0.439) 12.098 5.158 ( -6.973 5.645 -0.459) 8.984 5.301 ( 1.662 3.445 -1.912) 4.276 5.473 ( 1.145 0.898 -4.788) 5.004 5.553 ( 0.209 -0.453 -1.345) 1.434 9.087 ( 29.696 -4.752 10.814) 31.959 9.556 ( 27.216 -20.867 25.262) 42.595 14.632 ( -21.188 27.287 -27.934) 44.427 15.676 ( -10.383 -4.492 -9.496) 14.770 75.331 ( -2.963 0.672 0.144) 3.042 75.398 ( -3.332 -1.302 -0.502) 3.612 ======================= Grid point 204 (104/354) ======================= q-point: (-0.31 0.36 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.313 ( -9.164 -2.685 -10.105) 13.903 1.869 ( 16.978 -20.217 -21.482) 34.036 2.628 ( -10.799 11.954 4.255) 16.661 3.387 ( -3.934 -9.521 13.332) 16.848 3.762 ( -7.000 3.474 2.466) 8.194 4.028 ( -4.149 3.157 -2.840) 5.937 4.463 ( -7.463 7.290 2.351) 10.694 4.941 ( -11.547 10.624 0.188) 15.692 5.158 ( 12.508 -7.937 -4.862) 15.591 5.312 ( 0.228 -2.233 0.615) 2.327 5.476 ( -0.800 -2.944 -2.426) 3.897 5.560 ( 3.202 -1.474 -2.728) 4.457 9.934 ( 49.314 -4.058 12.839) 51.119 10.355 ( 43.812 -17.901 20.506) 51.580 14.071 ( -23.889 28.049 -27.158) 45.772 15.364 ( -16.061 -10.550 -13.372) 23.411 75.263 ( -3.601 0.480 0.062) 3.634 75.320 ( -3.895 -1.238 -0.473) 4.114 ======================= Grid point 205 (105/354) ======================= q-point: (-0.23 0.36 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.230 ( 3.454 8.964 -7.071) 11.928 2.193 ( 17.543 -17.281 -14.839) 28.751 2.445 ( -7.752 12.542 5.624) 15.781 3.359 ( -3.031 -9.617 12.404) 15.985 3.588 ( -10.370 2.191 1.017) 10.648 3.899 ( -7.742 0.896 -3.785) 8.665 4.299 ( -9.758 16.494 2.270) 19.298 4.691 ( -11.663 12.662 1.545) 17.284 5.209 ( -4.054 -3.420 -3.481) 6.344 5.374 ( 3.055 -7.293 -4.945) 9.326 5.432 ( -1.308 -2.992 -1.627) 3.648 5.742 ( 14.124 -11.576 2.573) 18.443 11.091 ( 57.249 -1.609 13.453) 58.830 11.428 ( 55.158 -11.410 10.993) 57.389 13.543 ( -18.124 25.819 -20.997) 37.894 14.966 ( -17.740 -15.774 -13.637) 27.377 75.194 ( -3.062 0.379 -0.102) 3.087 75.246 ( -3.138 -1.195 -0.324) 3.373 ======================= Grid point 206 (106/354) ======================= q-point: (-0.15 0.36 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.351 ( 8.206 16.701 -1.556) 18.673 2.273 ( -3.864 20.140 6.588) 21.539 2.493 ( 7.827 -18.201 -6.623) 20.890 3.335 ( -4.717 -3.959 8.873) 10.800 3.402 ( -5.697 0.405 -1.068) 5.810 3.692 ( -10.315 -1.620 -4.366) 11.318 4.069 ( -13.077 15.046 2.128) 20.047 4.529 ( -5.157 18.822 1.711) 19.591 5.078 ( -7.347 -9.280 0.149) 11.838 5.349 ( -0.962 -2.039 -8.723) 9.009 5.446 ( 1.888 -3.664 -2.513) 4.828 6.053 ( 13.822 -18.876 4.119) 23.755 12.123 ( 34.091 10.610 6.844) 36.354 12.571 ( 52.886 -5.984 2.625) 53.288 13.324 ( 5.716 14.056 -6.029) 16.328 14.595 ( -14.028 -18.898 -8.940) 25.176 75.143 ( -1.919 0.419 -0.240) 1.978 75.195 ( -1.852 -1.161 -0.114) 2.189 ======================= Grid point 207 (107/354) ======================= q-point: (-0.08 0.36 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.499 ( 5.414 17.507 5.999) 19.282 2.265 ( 0.653 24.311 5.953) 25.038 2.563 ( 1.398 -14.635 0.075) 14.702 3.226 ( -7.811 2.113 6.884) 10.624 3.322 ( -1.801 5.167 -5.935) 8.073 3.528 ( -4.274 -1.143 -0.671) 4.475 3.854 ( -7.446 3.650 2.594) 8.688 4.451 ( -3.394 21.948 -1.715) 22.275 4.949 ( -4.982 -11.752 1.483) 12.850 5.305 ( -0.283 -1.997 -9.879) 10.082 5.470 ( 1.328 -2.132 -3.151) 4.029 6.285 ( 7.278 -23.214 2.582) 24.465 12.468 ( 6.346 25.160 1.621) 25.998 13.445 ( 29.228 -6.118 -0.977) 29.877 13.689 ( 21.018 1.970 2.810) 21.296 14.395 ( -2.704 -18.101 2.675) 18.496 75.115 ( -0.783 0.539 -0.256) 0.984 75.169 ( -0.744 -1.112 0.067) 1.340 ======================= Grid point 208 (108/354) ======================= q-point: ( 0.00 0.45 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.985 ( 5.591 17.244 10.474) 20.936 2.326 ( 4.791 -15.996 7.838) 18.446 2.711 ( -4.278 19.768 0.441) 20.231 3.034 ( -4.661 -10.485 -0.287) 11.478 3.375 ( 3.759 0.586 -2.141) 4.365 3.438 ( 2.348 -5.718 1.047) 6.270 4.050 ( -0.431 21.066 5.391) 21.749 4.449 ( -1.227 -15.945 3.267) 16.322 4.965 ( -0.804 17.630 -11.534) 21.083 5.206 ( 0.355 -5.508 -15.211) 16.182 5.515 ( -0.546 7.260 2.085) 7.573 5.841 ( -2.007 -23.223 3.111) 23.516 13.054 ( -0.616 20.883 2.226) 21.010 13.414 ( -5.115 -14.373 -4.031) 15.779 14.060 ( 6.404 7.779 9.861) 14.098 14.262 ( 10.097 -11.916 14.569) 21.358 75.122 ( 0.101 0.835 -0.091) 0.846 75.141 ( 0.080 -1.015 0.040) 1.019 ======================= Grid point 209 (109/354) ======================= q-point: ( 0.08 0.45 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.162 ( 6.958 16.567 15.155) 23.507 2.477 ( 6.293 -13.279 10.834) 18.257 2.588 ( -6.653 18.659 0.345) 19.813 2.935 ( -5.022 -13.467 -2.188) 14.538 3.445 ( 2.417 0.451 1.275) 2.770 3.514 ( 5.648 -5.416 1.631) 7.994 4.183 ( 10.634 19.387 4.490) 22.563 4.521 ( 6.980 -10.212 -0.507) 12.380 4.892 ( -2.104 14.642 -10.766) 18.295 5.148 ( -0.879 -7.128 -15.951) 17.493 5.500 ( -1.047 5.634 0.512) 5.753 5.769 ( -5.315 -20.485 2.592) 21.321 12.816 ( -27.055 11.950 -3.035) 29.732 13.036 ( -32.458 -10.031 -5.290) 34.382 14.205 ( 7.459 16.261 20.074) 26.888 14.523 ( 11.838 -14.427 18.783) 26.478 75.132 ( 0.869 0.816 -0.037) 1.193 75.151 ( 0.844 -1.015 0.082) 1.322 ======================= Grid point 210 (110/354) ======================= q-point: ( 0.15 0.45 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.322 ( 0.115 18.232 21.213) 27.972 2.465 ( -1.176 15.259 -1.870) 15.418 2.659 ( 5.508 -13.192 13.062) 19.364 2.808 ( -7.323 -16.192 1.823) 17.865 3.503 ( 3.571 5.800 0.269) 6.816 3.662 ( 7.888 -9.115 0.118) 12.055 4.427 ( 9.945 16.871 -0.550) 19.592 4.681 ( 9.470 1.875 -6.216) 11.481 4.845 ( 1.131 3.166 -6.512) 7.328 5.076 ( -0.098 -9.429 -12.038) 15.291 5.487 ( -0.071 4.216 -0.573) 4.255 5.677 ( -4.102 -14.751 3.229) 15.648 11.931 ( -55.719 6.277 -6.343) 56.430 12.082 ( -57.452 -8.519 -6.072) 58.396 14.549 ( 17.679 19.728 23.723) 35.561 14.883 ( 16.820 -12.799 17.237) 27.274 75.159 ( 1.893 0.815 -0.032) 2.061 75.178 ( 1.926 -1.046 0.057) 2.193 ======================= Grid point 211 (111/354) ======================= q-point: ( 0.23 0.45 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.287 ( -6.694 17.986 22.018) 29.208 2.534 ( 3.089 5.121 1.421) 6.147 2.686 ( -4.638 -10.517 10.714) 15.713 2.781 ( 2.521 -11.721 9.812) 15.493 3.590 ( 5.245 8.871 -3.701) 10.951 3.810 ( 6.754 -11.852 -2.505) 13.870 4.514 ( 1.769 14.454 -6.517) 15.954 4.784 ( -1.208 -11.551 -12.348) 16.952 4.927 ( 11.585 12.656 -1.462) 17.220 5.136 ( 7.605 -7.924 -2.387) 11.240 5.496 ( 1.167 3.838 -0.693) 4.071 5.633 ( -1.662 -9.321 3.466) 10.082 10.675 ( -62.394 4.024 -5.849) 62.797 10.807 ( -62.944 -8.622 -5.169) 63.742 15.016 ( 19.781 17.588 19.571) 32.919 15.279 ( 16.612 -8.131 11.007) 21.523 75.209 ( 3.046 0.896 -0.063) 3.176 75.230 ( 3.158 -1.135 -0.013) 3.356 ======================= Grid point 212 (112/354) ======================= q-point: ( 0.31 0.45 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.265 ( -3.555 14.366 25.373) 29.373 2.537 ( -2.930 -9.425 16.347) 19.096 2.741 ( 4.467 1.986 4.059) 6.354 2.845 ( 3.283 -6.915 1.057) 7.727 3.675 ( 4.751 8.762 -6.134) 11.704 3.915 ( 4.956 -13.290 -4.967) 15.029 4.527 ( 2.026 8.594 -4.585) 9.949 4.697 ( -2.318 -7.717 -9.665) 12.583 5.146 ( 9.312 8.497 -0.952) 12.642 5.280 ( 5.877 -4.524 -1.015) 7.486 5.520 ( 1.169 3.236 -0.956) 3.571 5.609 ( -2.284 -4.804 2.066) 5.706 9.516 ( -47.729 2.639 -2.657) 47.876 9.640 ( -48.469 -8.901 -1.729) 49.309 15.440 ( 16.008 13.204 11.382) 23.668 15.600 ( 12.256 -2.547 2.803) 12.828 75.278 ( 3.685 1.044 -0.099) 3.831 75.302 ( 3.831 -1.262 -0.099) 4.034 ======================= Grid point 213 (113/354) ======================= q-point: ( 0.38 0.45 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.272 ( -5.240 11.028 20.340) 23.723 2.519 ( -8.283 -12.800 24.008) 28.440 2.846 ( 8.202 7.404 -6.672) 12.908 2.983 ( 9.488 -5.810 0.422) 11.133 3.744 ( 4.356 7.678 -6.573) 11.006 3.981 ( 3.551 -14.104 -6.185) 15.805 4.567 ( 2.887 3.992 -2.364) 5.464 4.644 ( -0.304 -3.016 -4.989) 5.838 5.281 ( 3.828 4.658 0.168) 6.032 5.340 ( 0.070 -0.938 0.383) 1.016 5.537 ( 1.340 0.836 -2.443) 2.909 5.553 ( -2.557 -0.280 -1.605) 3.032 8.792 ( -23.805 1.356 2.905) 24.020 8.900 ( -24.844 -8.528 4.453) 26.642 15.706 ( 7.449 9.758 -1.067) 12.322 15.791 ( 7.053 1.122 -2.458) 7.552 75.349 ( 3.115 1.185 -0.117) 3.335 75.375 ( 3.223 -1.374 -0.182) 3.509 ======================= Grid point 214 (114/354) ======================= q-point: ( 0.46 0.45 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.143 ( -12.074 7.269 5.112) 14.992 2.326 ( -16.210 -10.352 10.494) 21.910 3.014 ( 7.486 8.072 -1.228) 11.077 3.168 ( 6.558 -6.802 4.208) 10.343 3.815 ( 4.840 5.921 -5.591) 9.473 4.014 ( 1.770 -12.217 -5.876) 13.672 4.618 ( 2.378 2.176 -0.646) 3.287 4.651 ( 1.786 -0.534 -1.234) 2.235 5.303 ( -0.772 1.637 1.020) 2.077 5.318 ( -1.383 0.624 1.063) 1.852 5.530 ( 1.006 2.489 -3.677) 4.552 5.556 ( 1.064 -0.189 -2.941) 3.133 8.534 ( -4.930 1.304 8.307) 9.748 8.641 ( -4.504 -8.981 11.847) 15.534 15.721 ( -2.718 12.429 -13.503) 18.552 15.867 ( 1.049 -2.016 -6.250) 6.650 75.395 ( 1.240 1.240 -0.117) 1.757 75.422 ( 1.258 -1.415 -0.255) 1.910 ======================= Grid point 215 (115/354) ======================= q-point: (-0.46 0.45 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.839 ( -15.779 3.076 -10.772) 19.351 1.959 ( -20.401 -8.192 -2.688) 22.148 3.084 ( -0.941 8.064 2.499) 8.495 3.251 ( -0.177 -7.982 7.112) 10.692 3.893 ( 3.552 3.700 -2.254) 5.602 4.025 ( 1.485 -7.771 -4.694) 9.199 4.648 ( 0.491 2.436 1.020) 2.686 4.689 ( 2.075 -1.446 0.686) 2.620 5.300 ( -0.206 1.874 0.002) 1.885 5.314 ( 1.086 0.715 0.352) 1.348 5.538 ( 0.189 1.790 -3.736) 4.147 5.552 ( -0.235 0.178 -2.572) 2.589 8.625 ( 10.459 2.534 12.789) 16.714 8.763 ( 11.173 -10.992 17.529) 23.514 15.520 ( -11.285 17.165 -20.435) 28.975 15.773 ( -7.136 -7.675 -12.923) 16.638 75.395 ( -1.210 1.172 -0.115) 1.688 75.421 ( -1.290 -1.362 -0.315) 1.902 ======================= Grid point 216 (116/354) ======================= q-point: (-0.38 0.45 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.506 ( -10.520 -1.680 -20.574) 23.169 1.561 ( -12.026 -7.035 -14.151) 19.859 3.015 ( -6.366 10.249 5.147) 13.117 3.227 ( -4.411 -10.169 9.226) 14.422 3.914 ( -1.537 4.201 1.312) 4.661 4.035 ( -0.206 -6.369 -2.607) 6.885 4.656 ( 0.244 5.459 2.355) 5.950 4.766 ( 5.968 -5.286 1.246) 8.070 5.270 ( -3.228 4.687 -0.951) 5.770 5.331 ( -0.331 -0.876 -0.814) 1.241 5.502 ( -1.590 1.870 -4.383) 5.023 5.537 ( -0.677 -1.308 -3.011) 3.352 9.066 ( 29.081 3.152 15.762) 33.228 9.222 ( 28.421 -12.098 19.962) 36.777 15.135 ( -18.764 21.649 -24.887) 37.949 15.494 ( -14.871 -13.473 -18.452) 27.261 75.349 ( -3.115 1.006 -0.130) 3.276 75.372 ( -3.248 -1.236 -0.356) 3.493 ======================= Grid point 217 (117/354) ======================= q-point: (-0.31 0.45 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.329 ( 2.419 4.700 -17.582) 18.360 1.517 ( 12.245 -13.734 -21.721) 28.466 2.889 ( -7.747 13.369 7.554) 17.200 3.157 ( -5.381 -12.653 10.712) 17.430 3.837 ( -6.734 5.170 1.650) 8.648 3.969 ( -5.785 -6.809 -1.237) 9.020 4.688 ( 1.684 12.890 3.564) 13.479 4.941 ( 9.864 -11.870 1.998) 15.563 5.146 ( -8.502 8.489 -0.810) 12.042 5.267 ( -5.807 -3.438 -1.458) 6.904 5.460 ( -0.982 1.125 -4.501) 4.742 5.511 ( -0.109 -3.090 -3.820) 4.915 9.920 ( 49.357 3.004 16.166) 52.024 10.061 ( 47.760 -10.862 18.399) 52.321 14.617 ( -22.881 25.073 -26.108) 42.823 15.066 ( -20.039 -18.684 -21.251) 34.674 75.277 ( -3.721 0.827 -0.168) 3.816 75.296 ( -3.826 -1.099 -0.357) 3.997 ======================= Grid point 218 (118/354) ======================= q-point: (-0.23 0.45 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.466 ( 13.722 14.121 -12.572) 23.361 1.800 ( 18.993 -18.583 -15.860) 30.946 2.771 ( -6.295 16.797 9.151) 20.137 3.099 ( -3.720 -15.022 11.341) 19.186 3.662 ( -10.221 5.492 -0.192) 11.604 3.802 ( -9.772 -7.522 -1.991) 12.491 4.690 ( -5.832 19.815 3.075) 20.883 4.970 ( -4.974 12.659 -0.626) 13.616 5.053 ( -8.793 -14.125 3.233) 16.949 5.178 ( 5.631 -8.592 -4.709) 11.300 5.433 ( -0.017 2.415 -3.298) 4.088 5.540 ( 4.255 -8.004 -0.308) 9.070 11.107 ( 60.108 3.267 14.286) 61.869 11.224 ( 59.488 -8.185 13.600) 61.569 14.080 ( -20.568 26.203 -22.446) 40.168 14.578 ( -20.163 -22.260 -19.617) 35.873 75.206 ( -3.076 0.730 -0.213) 3.169 75.223 ( -3.104 -1.019 -0.296) 3.280 ======================= Grid point 219 (119/354) ======================= q-point: (-0.15 0.45 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.703 ( 11.178 18.022 -5.449) 21.896 2.082 ( 11.733 -19.235 -7.845) 23.858 2.714 ( -2.097 20.285 8.950) 22.271 3.096 ( -0.300 -16.673 10.081) 19.486 3.458 ( -8.419 4.962 -2.482) 10.083 3.585 ( -9.927 -6.932 -3.215) 12.528 4.452 ( -15.509 19.629 2.467) 25.138 4.799 ( -13.475 -11.383 2.358) 17.796 4.975 ( 2.198 15.568 -3.376) 16.081 5.250 ( 2.634 -8.567 -10.402) 13.731 5.452 ( 2.117 4.938 0.874) 5.443 5.675 ( 7.226 -16.724 4.822) 18.846 12.299 ( 48.934 7.265 9.741) 50.420 12.439 ( 53.419 -6.746 7.778) 54.402 13.706 ( -8.023 22.051 -12.315) 26.501 14.169 ( -13.404 -22.602 -12.229) 28.984 75.155 ( -1.845 0.743 -0.221) 2.001 75.173 ( -1.822 -1.005 -0.185) 2.089 ======================= Grid point 220 (120/354) ======================= q-point: (-0.08 0.45 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.860 ( 5.355 17.947 2.984) 18.965 2.224 ( 4.585 -17.746 1.091) 18.361 2.734 ( 0.418 21.522 5.465) 22.208 3.111 ( -2.550 -13.990 5.482) 15.240 3.348 ( -0.752 1.860 -3.893) 4.380 3.428 ( -3.150 -5.335 -2.317) 6.615 4.169 ( -11.997 20.616 3.975) 24.182 4.558 ( -10.155 -15.671 3.287) 18.960 4.994 ( 1.319 17.894 -8.565) 19.882 5.241 ( 1.031 -5.905 -13.577) 14.842 5.499 ( 1.335 7.023 2.795) 7.676 5.811 ( 3.686 -21.971 4.803) 22.790 12.947 ( 12.803 20.787 1.526) 24.461 13.275 ( 23.582 -11.475 0.310) 26.227 13.784 ( 15.526 7.991 2.709) 17.671 14.033 ( 4.057 -16.248 3.052) 17.023 75.129 ( -0.716 0.805 -0.170) 1.090 75.147 ( -0.701 -1.014 -0.060) 1.234 ======================= Grid point 286 (121/354) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.743 ( 10.545 0.000 18.472) 21.270 0.944 ( 9.650 0.000 24.284) 26.132 1.912 ( -2.602 0.000 46.518) 46.590 2.086 ( -7.164 0.000 -7.727) 10.537 2.827 ( -2.796 0.000 -8.923) 9.351 4.091 ( 25.182 0.000 0.963) 25.200 4.237 ( -8.210 0.000 8.262) 11.647 4.417 ( 3.360 0.000 10.790) 11.301 5.266 ( 1.056 0.000 3.783) 3.927 5.385 ( 2.437 0.000 -16.501) 16.680 5.698 ( -0.392 0.000 -2.340) 2.372 6.920 ( -17.066 0.000 -13.257) 21.610 11.211 ( 10.466 0.000 18.081) 20.891 13.709 ( -6.221 0.000 -4.088) 7.444 14.243 ( -0.858 0.000 1.850) 2.039 14.770 ( -10.101 0.000 -17.770) 20.441 75.091 ( 1.098 0.000 -0.386) 1.164 75.227 ( -0.161 0.000 0.580) 0.602 ======================= Grid point 287 (122/354) ======================= q-point: ( 0.08 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.125 ( 19.131 0.000 15.725) 24.764 1.337 ( 16.471 0.000 22.207) 27.649 1.894 ( -7.899 0.000 -9.548) 12.392 2.154 ( 12.863 0.000 39.827) 41.853 2.865 ( 9.419 0.000 -10.633) 14.205 4.036 ( -12.762 0.000 5.515) 13.903 4.548 ( 6.907 0.000 8.415) 10.887 4.676 ( 26.589 0.000 -8.596) 27.944 5.267 ( -2.437 0.000 3.653) 4.391 5.372 ( 1.969 0.000 -16.362) 16.480 5.627 ( -5.644 0.000 -2.487) 6.168 6.444 ( -22.924 0.000 0.497) 22.930 11.584 ( 19.091 0.000 20.390) 27.933 13.344 ( -28.051 0.000 -1.995) 28.122 13.933 ( -29.759 0.000 0.195) 29.760 14.532 ( -6.471 0.000 -20.237) 21.247 75.124 ( 1.999 0.000 -1.230) 2.347 75.234 ( 0.635 0.000 0.462) 0.786 ======================= Grid point 288 (123/354) ======================= q-point: ( 0.15 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.567 ( 17.898 0.000 10.113) 20.557 1.689 ( 11.038 0.000 23.238) 25.727 1.764 ( 0.727 0.000 -6.335) 6.377 2.675 ( 25.174 0.000 26.446) 36.512 3.097 ( 16.098 0.000 -11.528) 19.800 3.735 ( -17.855 0.000 0.511) 17.862 4.714 ( 5.882 0.000 12.301) 13.635 5.052 ( 13.546 0.000 -13.356) 19.023 5.183 ( -7.039 0.000 2.494) 7.468 5.365 ( 3.015 0.000 -15.033) 15.332 5.460 ( -9.931 0.000 -2.067) 10.144 6.097 ( -12.136 0.000 4.882) 13.081 12.079 ( 22.229 0.000 17.028) 28.001 12.619 ( -41.763 0.000 3.458) 41.906 13.068 ( -52.565 0.000 -8.437) 53.237 14.392 ( -0.464 0.000 -17.168) 17.174 75.158 ( 1.859 0.000 -0.919) 2.073 75.260 ( 1.947 0.000 0.141) 1.952 ======================= Grid point 289 (124/354) ======================= q-point: ( 0.23 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.753 ( 8.051 0.000 -2.716) 8.497 1.960 ( 8.313 0.000 19.584) 21.276 2.069 ( 20.751 0.000 6.586) 21.771 3.188 ( 5.270 0.000 -8.569) 10.060 3.383 ( 10.429 0.000 13.145) 16.780 3.441 ( 7.556 0.000 -4.474) 8.781 4.855 ( 3.303 0.000 13.882) 14.270 4.996 ( -11.981 0.000 0.683) 12.000 5.155 ( 2.302 0.000 -12.431) 12.642 5.219 ( -13.158 0.000 -1.152) 13.208 5.390 ( 3.716 0.000 -12.925) 13.449 5.956 ( -4.297 0.000 2.554) 4.999 11.685 ( -57.701 0.000 0.672) 57.705 11.954 ( -42.985 0.000 -4.603) 43.231 12.545 ( 18.682 0.000 6.077) 19.645 14.420 ( 7.638 0.000 -6.175) 9.822 75.198 ( 2.404 0.000 -0.164) 2.410 75.314 ( 3.333 0.000 -0.242) 3.341 ======================= Grid point 290 (125/354) ======================= q-point: ( 0.31 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.990 ( 14.967 0.000 0.738) 14.985 2.133 ( 3.574 0.000 9.257) 9.923 2.511 ( 20.852 0.000 3.394) 21.127 2.955 ( -6.941 0.000 -12.705) 14.477 3.651 ( 12.449 0.000 -7.893) 14.740 3.886 ( 21.006 0.000 15.564) 26.144 4.714 ( -15.368 0.000 -0.732) 15.385 4.924 ( -15.637 0.000 -0.517) 15.645 4.933 ( -0.061 0.000 12.717) 12.717 5.097 ( -2.624 0.000 -16.100) 16.312 5.421 ( 3.174 0.000 -9.943) 10.438 5.892 ( -3.469 0.000 1.457) 3.763 10.422 ( -57.258 0.000 -15.530) 59.327 11.392 ( -18.053 0.000 19.776) 26.777 12.840 ( 10.582 0.000 -8.533) 13.594 14.658 ( 14.685 0.000 8.943) 17.194 75.255 ( 3.043 0.000 0.447) 3.075 75.388 ( 3.944 0.000 -0.486) 3.974 ======================= Grid point 291 (126/354) ======================= q-point: ( 0.38 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.206 ( 3.922 0.000 -2.729) 4.778 2.317 ( 15.409 0.000 3.392) 15.778 2.901 ( 2.399 0.000 -5.061) 5.601 2.923 ( 18.862 0.000 -0.036) 18.862 3.844 ( 9.804 0.000 -8.965) 13.285 4.268 ( 10.419 0.000 11.581) 15.578 4.395 ( -15.096 0.000 -1.003) 15.129 4.595 ( -16.064 0.000 -0.600) 16.075 4.959 ( -0.778 0.000 11.945) 11.970 4.969 ( -2.029 0.000 -23.878) 23.964 5.440 ( 1.427 0.000 -7.915) 8.043 5.812 ( -5.164 0.000 3.354) 6.158 9.411 ( -35.364 0.000 -15.927) 38.785 11.323 ( 1.159 0.000 33.106) 33.126 12.924 ( 2.552 0.000 -17.203) 17.391 15.027 ( 15.915 0.000 18.336) 24.279 75.318 ( 2.750 0.000 0.877) 2.887 75.461 ( 3.231 0.000 -0.627) 3.291 ======================= Grid point 292 (127/354) ======================= q-point: ( 0.46 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.262 ( 2.166 0.000 -7.979) 8.268 2.574 ( 6.881 0.000 4.956) 8.480 2.933 ( 0.667 0.000 -1.347) 1.503 3.223 ( 8.693 0.000 -3.189) 9.259 3.998 ( 8.525 0.000 -9.190) 12.535 4.147 ( -7.126 0.000 0.120) 7.127 4.315 ( -8.361 0.000 4.035) 9.284 4.324 ( -8.455 0.000 -1.175) 8.536 4.885 ( 2.248 0.000 -21.811) 21.926 5.030 ( 2.842 0.000 10.261) 10.647 5.433 ( 1.454 0.000 -7.695) 7.831 5.714 ( -5.803 0.000 6.148) 8.455 8.919 ( -8.709 0.000 -11.747) 14.623 11.595 ( 11.598 0.000 38.936) 40.627 12.839 ( -4.652 0.000 -19.032) 19.593 15.383 ( 11.840 0.000 20.730) 23.873 75.363 ( 1.247 0.000 1.155) 1.700 75.505 ( 1.200 0.000 -0.734) 1.407 ======================= Grid point 293 (128/354) ======================= q-point: (-0.46 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.227 ( -1.724 0.000 -9.530) 9.685 2.594 ( -6.162 0.000 5.663) 8.369 2.910 ( -1.863 0.000 -1.148) 2.188 3.145 ( -14.482 0.000 -4.214) 15.083 4.011 ( -17.496 0.000 -1.568) 17.566 4.132 ( 4.026 0.000 -7.457) 8.474 4.199 ( 11.539 0.000 0.704) 11.561 4.300 ( 6.268 0.000 -1.647) 6.480 4.894 ( 4.836 0.000 -19.494) 20.085 5.056 ( -4.886 0.000 13.735) 14.578 5.439 ( -1.939 0.000 -4.744) 5.125 5.685 ( 4.682 0.000 3.391) 5.781 8.951 ( 14.327 0.000 -7.753) 16.290 11.987 ( 13.086 0.000 36.149) 38.445 12.613 ( -11.347 0.000 -17.179) 20.588 15.627 ( 5.340 0.000 19.015) 19.751 75.372 ( -0.884 0.000 1.293) 1.566 75.501 ( -1.349 0.000 -0.850) 1.594 ======================= Grid point 294 (129/354) ======================= q-point: (-0.38 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.167 ( -2.812 0.000 0.284) 2.826 2.425 ( -10.903 0.000 6.282) 12.583 2.722 ( -23.759 0.000 -3.608) 24.031 2.905 ( 4.742 0.000 -7.066) 8.510 3.564 ( -24.693 0.000 0.252) 24.695 4.157 ( -0.481 0.000 -8.576) 8.590 4.483 ( 12.931 0.000 0.134) 12.932 4.536 ( 17.504 0.000 -1.504) 17.569 4.909 ( 1.648 0.000 -18.632) 18.705 4.962 ( -8.746 0.000 18.181) 20.175 5.324 ( -5.612 0.000 -1.566) 5.826 5.912 ( 15.177 0.000 -1.863) 15.291 9.417 ( 33.620 0.000 -5.228) 34.024 12.274 ( -16.719 0.000 -13.431) 21.446 12.343 ( 11.509 0.000 26.361) 28.764 15.726 ( -1.266 0.000 14.907) 14.961 75.338 ( -2.728 0.000 1.217) 2.987 75.450 ( -3.184 0.000 -0.919) 3.314 ======================= Grid point 295 (130/354) ======================= q-point: (-0.31 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.062 ( -10.801 0.000 13.762) 17.494 2.154 ( -24.020 0.000 -0.719) 24.031 2.298 ( -9.858 0.000 4.519) 10.844 2.986 ( -17.667 0.000 -5.595) 18.532 3.162 ( 7.486 0.000 -0.648) 7.514 4.035 ( -8.936 0.000 -7.893) 11.923 4.734 ( 11.747 0.000 -0.491) 11.758 4.781 ( -8.105 0.000 -8.169) 11.508 4.862 ( -7.745 0.000 13.475) 15.542 4.902 ( 17.961 0.000 -0.790) 17.979 5.268 ( 1.639 0.000 -7.317) 7.499 6.240 ( 17.397 0.000 -2.252) 17.542 10.274 ( 52.469 0.000 -3.421) 52.581 11.865 ( -19.365 0.000 -8.421) 21.117 12.650 ( 12.903 0.000 13.280) 18.516 15.685 ( -6.527 0.000 9.195) 11.276 75.275 ( -3.658 0.000 0.734) 3.731 75.377 ( -3.503 0.000 -0.737) 3.579 ======================= Grid point 296 (131/354) ======================= q-point: (-0.23 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.608 ( -27.292 0.000 -1.345) 27.325 1.822 ( -17.892 0.000 14.482) 23.019 2.221 ( -1.608 0.000 5.358) 5.594 2.474 ( -27.117 0.000 14.314) 30.663 3.459 ( 13.534 0.000 -5.050) 14.445 3.762 ( -14.092 0.000 -6.355) 15.459 4.577 ( -8.620 0.000 -8.343) 11.996 4.730 ( -9.972 0.000 15.328) 18.286 4.945 ( 9.071 0.000 0.099) 9.072 5.237 ( 15.120 0.000 -0.846) 15.144 5.307 ( 4.592 0.000 -11.561) 12.439 6.581 ( 16.552 0.000 -1.850) 16.655 11.462 ( -17.863 0.000 -2.271) 18.007 11.481 ( 65.660 0.000 -1.155) 65.670 12.985 ( 18.216 0.000 1.480) 18.276 15.536 ( -9.911 0.000 2.371) 10.191 75.203 ( -3.449 0.000 -0.088) 3.450 75.311 ( -2.734 0.000 -0.315) 2.752 ======================= Grid point 297 (132/354) ======================= q-point: (-0.15 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( -24.666 0.000 2.324) 24.775 1.420 ( -25.252 0.000 8.782) 26.736 2.075 ( -19.680 0.000 34.746) 39.932 2.229 ( 0.266 0.000 1.820) 1.839 3.355 ( -16.478 0.000 -5.611) 17.407 3.699 ( 4.804 0.000 -3.487) 5.936 4.400 ( -5.694 0.000 -5.715) 8.067 4.570 ( -10.932 0.000 16.085) 19.449 5.100 ( 6.136 0.000 1.368) 6.287 5.356 ( 4.291 0.000 -13.814) 14.465 5.497 ( 10.731 0.000 -1.227) 10.801 6.884 ( 14.054 0.000 -4.022) 14.618 11.162 ( -11.434 0.000 4.874) 12.429 12.793 ( 59.426 0.000 1.461) 59.444 13.396 ( 22.952 0.000 -6.299) 23.800 15.312 ( -11.551 0.000 -5.015) 12.593 75.140 ( -2.565 0.000 -0.730) 2.667 75.265 ( -1.817 0.000 0.066) 1.818 ======================= Grid point 298 (133/354) ======================= q-point: (-0.08 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.696 ( -12.309 0.000 11.715) 16.993 0.970 ( -19.026 0.000 17.015) 25.525 1.902 ( -11.398 0.000 44.622) 46.055 2.208 ( -2.745 0.000 -3.295) 4.288 3.023 ( -12.921 0.000 -6.872) 14.635 3.766 ( 5.512 0.000 2.610) 6.099 4.331 ( -0.438 0.000 -2.223) 2.265 4.413 ( -9.593 0.000 18.457) 20.801 5.206 ( 3.625 0.000 2.856) 4.615 5.382 ( 3.284 0.000 -15.486) 15.830 5.656 ( 5.329 0.000 -1.816) 5.630 7.077 ( 5.489 0.000 -12.187) 13.366 11.061 ( -0.972 0.000 12.222) 12.260 13.611 ( 17.875 0.000 -1.209) 17.916 13.933 ( 30.288 0.000 -5.244) 30.738 15.045 ( -11.660 0.000 -12.134) 16.828 75.096 ( -1.395 0.000 -0.536) 1.494 75.237 ( -0.997 0.000 0.422) 1.082 ======================= Grid point 299 (134/354) ======================= q-point: ( 0.00 0.09 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.000 ( 5.229 19.966 14.861) 25.433 1.092 ( 9.635 13.312 20.198) 26.039 2.009 ( -1.649 10.563 40.796) 42.174 2.288 ( -5.493 17.963 -5.982) 19.714 2.830 ( -2.303 0.418 -8.257) 8.582 4.008 ( 20.198 -6.403 3.582) 21.489 4.150 ( -9.769 -8.581 11.003) 17.033 4.345 ( 4.609 -6.166 5.761) 9.615 5.114 ( -2.547 -9.292 -1.760) 9.794 5.389 ( 3.070 -0.701 -15.128) 15.452 5.677 ( -1.153 -2.265 -0.110) 2.544 7.056 ( -9.147 6.702 -14.000) 18.016 11.387 ( 10.235 15.852 14.960) 24.080 13.704 ( -4.742 -0.236 -3.891) 6.138 14.172 ( -2.577 -6.037 0.868) 6.621 14.816 ( -6.948 3.703 -12.919) 15.129 75.090 ( 0.828 -0.077 -0.329) 0.895 75.223 ( -0.150 -0.437 0.563) 0.729 ======================= Grid point 300 (135/354) ======================= q-point: ( 0.08 0.09 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.209 ( 12.588 8.981 18.356) 24.001 1.473 ( 14.627 10.557 19.369) 26.468 2.124 ( -5.164 20.528 -10.246) 23.517 2.270 ( 12.870 11.763 34.749) 38.878 2.878 ( 9.717 1.415 -9.672) 13.783 3.953 ( -12.202 -7.709 6.082) 15.662 4.479 ( 9.145 -6.986 5.932) 12.947 4.532 ( 23.360 -12.652 1.041) 26.586 5.048 ( -2.909 -10.727 -3.163) 11.556 5.389 ( 2.078 -0.600 -14.592) 14.752 5.606 ( -5.604 -2.193 -0.817) 6.072 6.700 ( -19.598 15.007 -5.215) 25.229 11.698 ( 13.759 10.443 16.451) 23.854 13.403 ( -23.441 5.819 0.937) 24.170 13.812 ( -30.856 -9.890 -2.221) 32.478 14.644 ( -5.670 8.922 -15.648) 18.884 75.117 ( 1.823 -0.489 -0.875) 2.081 75.229 ( 0.653 -0.415 0.454) 0.897 ======================= Grid point 301 (136/354) ======================= q-point: ( 0.15 0.09 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.564 ( 14.673 2.038 18.368) 23.597 1.789 ( 10.403 8.404 14.724) 19.891 2.015 ( 0.295 20.977 -5.681) 21.735 2.767 ( 23.936 8.557 21.225) 33.116 3.120 ( 16.240 2.684 -9.271) 18.892 3.678 ( -16.005 -5.160 0.984) 16.845 4.646 ( 5.282 -6.600 13.059) 15.556 4.931 ( 5.864 -16.808 2.915) 18.039 5.008 ( 8.447 -4.374 -13.930) 16.868 5.373 ( 0.581 -0.836 -12.741) 12.782 5.455 ( -7.812 -0.572 -2.776) 8.311 6.315 ( -16.944 14.533 1.708) 22.388 11.907 ( -3.999 -11.175 7.053) 13.807 12.796 ( -44.499 3.176 2.593) 44.687 13.081 ( -24.876 10.654 2.941) 27.221 14.507 ( -1.319 10.222 -16.113) 19.127 75.152 ( 1.937 -0.488 -0.716) 2.122 75.256 ( 1.930 -0.413 0.145) 1.979 ======================= Grid point 302 (137/354) ======================= q-point: ( 0.23 0.09 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.888 ( 11.043 -0.609 16.729) 20.054 1.925 ( 5.176 11.517 -3.936) 13.226 2.221 ( 15.461 11.712 8.825) 21.310 3.216 ( 2.066 2.015 -12.426) 12.757 3.380 ( 7.803 -0.656 13.962) 16.009 3.488 ( 14.688 5.934 -1.073) 15.878 4.754 ( -0.786 -8.719 13.182) 15.825 4.875 ( -4.683 -8.390 1.412) 9.712 5.158 ( 1.202 -1.753 -12.494) 12.674 5.255 ( -4.947 1.339 -3.323) 6.108 5.389 ( 2.416 -0.270 -12.037) 12.280 6.036 ( -11.555 6.869 3.510) 13.893 11.510 ( -29.961 -26.956 2.092) 40.357 11.613 ( -62.337 -7.977 -5.926) 63.124 13.057 ( 8.965 34.905 7.097) 36.730 14.519 ( 6.962 9.238 -6.490) 13.263 75.195 ( 2.513 -0.281 -0.123) 2.532 75.309 ( 3.309 -0.455 -0.224) 3.348 ======================= Grid point 303 (138/354) ======================= q-point: ( 0.31 0.09 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.046 ( 7.093 2.306 -4.374) 8.647 2.135 ( 9.866 0.655 9.025) 13.387 2.559 ( 14.410 7.719 2.565) 16.547 3.052 ( -1.332 7.496 -5.973) 9.676 3.653 ( 12.373 0.087 -6.608) 14.028 3.908 ( 18.232 2.503 12.612) 22.310 4.631 ( -12.048 -7.032 2.368) 14.150 4.790 ( -7.254 -6.039 5.134) 10.745 5.042 ( -3.743 4.218 -4.637) 7.301 5.176 ( -4.511 5.027 -9.338) 11.525 5.411 ( 3.062 -0.814 -9.751) 10.253 5.866 ( -6.893 -2.004 3.114) 7.825 10.326 ( -55.468 -9.320 -15.562) 58.358 11.064 ( -17.240 -25.023 20.080) 36.422 13.235 ( 6.923 31.856 -9.060) 33.835 14.748 ( 14.459 8.478 8.916) 18.985 75.253 ( 3.111 -0.120 0.418) 3.141 75.383 ( 3.940 -0.476 -0.476) 3.997 ======================= Grid point 304 (139/354) ======================= q-point: ( 0.38 0.09 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.158 ( 5.641 -1.801 -4.113) 7.210 2.383 ( 13.195 -2.261 -1.616) 13.485 2.789 ( 8.355 6.682 -0.682) 10.720 3.181 ( 11.590 11.876 2.268) 16.748 3.838 ( 8.510 -0.428 -7.400) 11.286 4.147 ( -3.386 -10.159 8.378) 13.596 4.407 ( -6.589 1.265 0.629) 6.739 4.633 ( -6.224 3.072 -1.579) 7.119 4.986 ( -0.767 1.746 -8.692) 8.899 5.037 ( -4.573 6.272 -3.495) 8.513 5.430 ( 1.429 -0.839 -7.898) 8.070 5.754 ( -5.809 -5.464 4.165) 8.997 9.358 ( -33.640 -5.008 -13.918) 36.748 10.992 ( 0.612 -27.254 31.588) 41.725 13.262 ( 0.709 28.008 -18.077) 33.343 15.110 ( 15.482 7.731 17.344) 24.500 75.317 ( 2.782 -0.043 0.819) 2.900 75.456 ( 3.237 -0.471 -0.630) 3.331 ======================= Grid point 305 (140/354) ======================= q-point: ( 0.46 0.09 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.215 ( 0.860 -3.619 -7.045) 7.967 2.619 ( 9.762 -6.430 -5.048) 12.733 2.895 ( 1.099 11.096 2.991) 11.545 3.382 ( 3.043 9.217 2.470) 10.015 3.893 ( -4.240 -10.842 -0.178) 11.643 4.029 ( 1.358 -5.242 -4.075) 6.777 4.308 ( -2.387 3.741 -1.902) 4.828 4.533 ( -5.634 10.571 -2.706) 12.281 4.928 ( 1.463 3.911 -18.940) 19.395 5.049 ( 1.957 2.052 9.598) 10.008 5.423 ( 1.508 -0.796 -7.785) 7.970 5.654 ( -5.618 -5.727 6.256) 10.173 8.898 ( -8.069 -2.013 -9.566) 12.676 11.242 ( 10.632 -29.049 36.464) 47.817 13.152 ( -5.210 25.303 -18.726) 31.907 15.447 ( 11.034 5.891 18.427) 22.272 75.363 ( 1.250 -0.032 1.088) 1.658 75.501 ( 1.203 -0.464 -0.747) 1.490 ======================= Grid point 306 (141/354) ======================= q-point: (-0.46 0.09 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.154 ( -2.394 -6.934 -10.766) 13.028 2.705 ( 0.313 -8.025 -3.683) 8.835 2.834 ( -8.195 15.711 4.642) 18.317 3.205 ( -18.124 -0.405 1.975) 18.236 3.845 ( -3.353 -6.844 -1.083) 7.698 4.089 ( 4.561 -3.511 -6.425) 8.626 4.359 ( 4.560 5.053 -1.591) 6.989 4.447 ( 3.971 15.219 -1.314) 15.784 4.924 ( 3.899 2.738 -18.894) 19.485 5.060 ( -5.154 0.557 12.606) 13.631 5.425 ( -2.577 -1.337 -3.776) 4.763 5.636 ( 5.577 -4.570 2.324) 7.576 8.942 ( 14.248 -0.964 -5.833) 15.426 11.594 ( 11.090 -29.810 31.371) 44.674 12.936 ( -10.015 23.384 -13.854) 28.966 15.663 ( 4.308 3.170 15.937) 16.811 75.371 ( -0.904 -0.072 1.222) 1.521 75.496 ( -1.356 -0.472 -0.862) 1.675 ======================= Grid point 307 (142/354) ======================= q-point: (-0.38 0.09 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.095 ( -1.458 -7.954 -3.276) 8.725 2.565 ( -16.293 -6.790 -3.992) 18.097 2.656 ( -9.284 18.779 3.240) 21.198 2.882 ( -6.686 -7.318 1.073) 9.970 3.620 ( -17.293 6.186 -1.793) 18.453 4.118 ( -0.480 -2.759 -7.445) 7.954 4.490 ( 9.089 0.687 1.621) 9.258 4.678 ( 14.548 11.226 -0.429) 18.381 4.918 ( 0.668 0.960 -17.636) 17.675 4.972 ( -7.005 0.777 14.578) 16.192 5.323 ( -3.901 0.184 -1.878) 4.334 5.856 ( 14.161 -5.383 -2.159) 15.303 9.411 ( 33.466 -0.712 -3.651) 33.672 11.841 ( 3.791 -25.935 14.065) 29.746 12.699 ( -8.609 18.864 -1.900) 20.822 15.729 ( -2.315 0.131 11.832) 12.058 75.337 ( -2.762 -0.148 1.150) 2.995 75.445 ( -3.202 -0.497 -0.919) 3.368 ======================= Grid point 308 (143/354) ======================= q-point: (-0.31 0.09 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.948 ( -18.373 -13.364 3.662) 23.012 2.148 ( -17.940 3.259 5.534) 19.055 2.500 ( -6.421 19.733 4.850) 21.310 3.005 ( 14.861 -13.605 -4.471) 20.639 3.202 ( -21.827 16.565 -0.151) 27.401 3.999 ( -8.856 -2.775 -7.157) 11.720 4.617 ( -1.178 -7.249 4.875) 8.815 4.818 ( -4.470 -0.250 -7.804) 8.997 4.915 ( 1.698 5.445 8.520) 10.252 4.989 ( 12.878 6.373 -2.715) 14.623 5.306 ( 3.468 3.860 -6.435) 8.267 6.164 ( 16.753 -7.357 -2.229) 18.432 10.269 ( 52.217 -0.600 -2.215) 52.267 11.781 ( -10.505 -8.707 -4.416) 14.341 12.676 ( 5.820 3.548 8.897) 11.208 15.661 ( -7.333 -2.551 6.999) 10.453 75.273 ( -3.692 -0.229 0.700) 3.764 75.371 ( -3.531 -0.540 -0.727) 3.645 ======================= Grid point 309 (144/354) ======================= q-point: (-0.23 0.09 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.444 ( -27.052 -11.968 -0.536) 29.586 1.880 ( -15.946 5.042 17.411) 24.142 2.430 ( -2.685 19.385 3.605) 19.899 2.716 ( -24.486 19.039 9.735) 32.509 3.359 ( 16.543 -9.453 -4.636) 19.609 3.723 ( -15.399 -2.803 -5.932) 16.738 4.503 ( -7.676 -6.460 -2.436) 10.324 4.675 ( -9.389 -3.869 8.341) 13.141 5.031 ( 6.602 5.430 -1.680) 8.712 5.210 ( 9.002 0.091 -5.435) 10.516 5.399 ( 7.363 6.050 -4.973) 10.749 6.506 ( 17.350 -7.155 -1.641) 18.839 11.457 ( 42.447 -1.140 3.860) 42.638 11.508 ( 8.432 3.022 -7.600) 11.747 12.945 ( 17.514 -3.468 2.302) 18.001 15.495 ( -10.221 -4.140 1.757) 11.166 75.200 ( -3.472 -0.275 -0.041) 3.483 75.305 ( -2.755 -0.587 -0.302) 2.833 ======================= Grid point 310 (145/354) ======================= q-point: (-0.15 0.09 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.944 ( -21.007 -5.874 5.364) 22.463 1.581 ( -19.409 10.292 15.020) 26.612 2.251 ( -19.856 16.807 22.081) 34.122 2.449 ( -2.761 19.401 2.362) 19.738 3.348 ( -16.858 -0.762 -5.552) 17.765 3.618 ( 7.795 -7.715 -1.387) 11.055 4.348 ( -5.558 -4.725 -4.193) 8.415 4.500 ( -11.134 -5.707 12.196) 17.472 5.129 ( 3.264 1.497 -1.388) 3.850 5.319 ( 5.439 -2.238 -12.142) 13.492 5.544 ( 6.975 2.987 -0.616) 7.612 6.840 ( 16.131 -4.549 -3.646) 17.152 11.257 ( -8.219 9.073 3.868) 12.838 12.767 ( 58.765 -2.358 1.362) 58.828 13.358 ( 22.899 -3.348 -5.070) 23.691 15.272 ( -11.125 -3.978 -3.755) 12.397 75.137 ( -2.536 -0.236 -0.574) 2.611 75.259 ( -1.794 -0.583 0.087) 1.888 ======================= Grid point 311 (146/354) ======================= q-point: (-0.08 0.09 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.758 ( 1.543 9.891 15.900) 18.789 1.225 ( -18.359 18.161 13.263) 29.031 2.019 ( -12.371 12.154 37.641) 41.444 2.394 ( -3.421 16.879 -2.945) 17.472 3.015 ( -12.734 -0.583 -6.411) 14.269 3.738 ( 6.219 -2.869 2.729) 7.373 4.282 ( -0.056 -5.484 1.144) 5.603 4.319 ( -10.678 -7.233 12.096) 17.681 5.152 ( -0.450 -4.320 -0.979) 4.453 5.367 ( 4.139 -1.442 -14.868) 15.500 5.652 ( 3.436 -0.673 0.251) 3.511 7.091 ( 9.182 -0.765 -10.811) 14.205 11.215 ( 1.840 14.087 10.244) 17.514 13.594 ( 18.500 -1.587 -2.161) 18.693 13.876 ( 29.125 -4.755 -2.823) 29.646 15.031 ( -10.201 -1.537 -9.146) 13.787 75.096 ( -1.266 -0.025 -0.448) 1.343 75.232 ( -0.942 -0.497 0.418) 1.144 ======================= Grid point 312 (147/354) ======================= q-point: ( 0.00 0.18 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( 11.164 15.532 16.948) 25.556 1.444 ( -3.158 20.753 13.041) 24.713 2.353 ( 0.523 21.873 29.641) 36.842 2.722 ( -1.052 21.184 -7.891) 22.630 2.865 ( -2.385 5.235 -5.110) 7.694 3.852 ( 8.255 -12.106 9.058) 17.226 3.954 ( -5.014 -5.571 5.523) 9.311 4.193 ( 3.641 -8.742 1.351) 9.566 4.973 ( -2.600 -4.778 -8.811) 10.355 5.364 ( 3.081 -1.474 -14.120) 14.528 5.588 ( -2.383 -6.788 3.131) 7.846 7.044 ( -2.689 -8.054 -9.723) 12.908 11.790 ( 9.411 22.640 12.311) 27.435 13.704 ( -1.488 -0.004 -3.250) 3.575 14.042 ( -4.542 -5.751 0.912) 7.385 14.884 ( -1.662 2.265 -4.033) 4.915 75.089 ( 0.465 0.073 -0.309) 0.563 75.210 ( -0.096 -0.813 0.501) 0.959 ======================= Grid point 313 (148/354) ======================= q-point: ( 0.08 0.18 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.476 ( 4.875 16.356 15.951) 23.360 1.692 ( 9.939 10.785 20.815) 25.463 2.579 ( 11.659 17.904 13.647) 25.352 2.641 ( -3.591 25.610 -4.944) 26.329 2.949 ( 11.964 7.484 -3.036) 14.435 3.752 ( -9.964 -11.143 6.645) 16.359 4.243 ( 19.144 -11.840 3.007) 22.710 4.316 ( 6.688 -10.613 7.785) 14.763 4.908 ( -0.152 -4.360 -11.805) 12.585 5.363 ( 1.665 -1.695 -13.835) 14.038 5.525 ( -4.590 -5.925 1.795) 7.707 6.835 ( -13.860 -2.505 -6.037) 15.324 11.966 ( 1.006 14.912 8.909) 17.400 13.547 ( -14.765 -0.572 2.928) 15.064 13.628 ( -30.928 1.471 2.365) 31.053 14.829 ( -2.258 8.313 -8.767) 12.291 75.109 ( 1.461 -0.289 -0.483) 1.566 75.217 ( 0.687 -0.771 0.410) 1.111 ======================= Grid point 314 (149/354) ======================= q-point: ( 0.15 0.18 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.689 ( 8.607 9.975 20.305) 24.205 1.956 ( 9.907 8.106 16.329) 20.748 2.504 ( -3.131 24.074 -10.827) 26.582 2.956 ( 18.718 7.995 5.716) 21.141 3.253 ( 15.320 11.199 1.949) 19.077 3.564 ( -8.653 -4.242 2.258) 9.898 4.456 ( 4.090 -11.650 14.174) 18.798 4.620 ( 12.705 -13.355 3.402) 18.744 4.903 ( 5.599 -5.550 -16.884) 18.634 5.338 ( -0.247 -2.331 -10.565) 10.822 5.427 ( -4.117 -2.402 -3.052) 5.660 6.500 ( -17.192 1.977 -0.178) 17.306 11.730 ( -26.889 -5.684 -0.624) 27.490 12.647 ( -56.358 -11.455 -4.400) 57.679 13.533 ( 4.280 27.075 19.432) 33.600 14.754 ( -0.461 12.890 -13.015) 18.324 75.142 ( 2.011 -0.413 -0.423) 2.096 75.244 ( 1.895 -0.775 0.141) 2.053 ======================= Grid point 315 (150/354) ======================= q-point: ( 0.23 0.18 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.923 ( 6.827 5.311 21.687) 23.349 2.128 ( 3.046 6.744 -6.266) 9.696 2.530 ( 9.352 16.275 2.284) 18.909 3.262 ( -3.093 3.420 -5.420) 7.116 3.366 ( 13.394 -0.140 3.431) 13.827 3.694 ( 15.900 13.208 4.968) 21.259 4.535 ( -2.320 -12.113 16.429) 20.543 4.730 ( 0.490 -5.412 -1.309) 5.590 5.023 ( 8.107 -10.814 -15.467) 20.540 5.274 ( -2.215 0.283 -4.167) 4.728 5.379 ( 1.461 -0.489 -9.908) 10.027 6.158 ( -17.116 3.317 3.852) 17.854 11.009 ( -40.256 -20.713 -2.371) 45.335 11.420 ( -58.976 -10.863 -1.393) 59.984 13.779 ( 11.190 34.974 9.894) 38.030 14.765 ( 6.115 14.070 -7.050) 16.884 75.189 ( 2.723 -0.260 -0.075) 2.736 75.296 ( 3.253 -0.830 -0.189) 3.362 ======================= Grid point 316 (151/354) ======================= q-point: ( 0.31 0.18 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.076 ( 2.512 2.362 3.508) 4.919 2.142 ( 5.135 0.581 -6.102) 7.996 2.813 ( 14.347 13.197 5.479) 20.249 3.201 ( 1.809 7.179 2.678) 7.873 3.656 ( 12.912 0.554 -5.711) 14.130 3.978 ( 6.151 2.741 9.768) 11.865 4.481 ( -4.778 -5.610 7.662) 10.630 4.709 ( -1.092 -1.956 -3.992) 4.578 5.046 ( 0.178 -5.238 -11.743) 12.859 5.247 ( -0.834 2.267 -3.849) 4.544 5.395 ( 2.822 -0.510 -8.717) 9.176 5.844 ( -14.892 0.144 5.293) 15.805 10.057 ( -48.050 -16.300 -11.190) 51.959 10.575 ( -25.691 -21.207 18.325) 38.021 13.942 ( 4.523 35.543 -11.987) 37.781 14.977 ( 13.860 13.297 8.357) 20.946 75.251 ( 3.270 -0.075 0.319) 3.287 75.369 ( 3.925 -0.870 -0.450) 4.045 ======================= Grid point 317 (152/354) ======================= q-point: ( 0.38 0.18 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.155 ( 3.123 1.615 1.415) 3.790 2.252 ( 9.743 -6.166 -12.735) 17.179 3.082 ( 10.308 15.695 2.841) 18.991 3.358 ( 10.248 5.333 7.717) 13.893 3.844 ( 6.269 1.723 -4.625) 7.979 3.907 ( -12.352 -12.628 7.919) 19.359 4.453 ( -1.614 3.100 -2.485) 4.288 4.703 ( 3.042 3.515 -6.778) 8.219 5.010 ( 0.351 0.048 -6.139) 6.149 5.173 ( -4.374 6.092 -3.442) 8.252 5.416 ( 1.513 -0.220 -7.194) 7.355 5.621 ( -8.899 -6.368 5.597) 12.291 9.221 ( -29.169 -8.028 -8.251) 31.359 10.384 ( -3.162 -30.314 29.856) 42.665 13.902 ( -1.889 32.983 -22.479) 39.959 15.313 ( 14.001 11.429 13.866) 22.780 75.317 ( 2.863 0.031 0.650) 2.936 75.443 ( 3.247 -0.873 -0.630) 3.421 ======================= Grid point 318 (153/354) ======================= q-point: ( 0.46 0.18 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.112 ( -5.903 -6.603 -4.271) 9.833 2.459 ( 11.197 -4.333 -10.618) 16.028 3.240 ( 3.082 14.373 4.592) 15.400 3.490 ( -10.752 1.339 7.570) 13.218 3.677 ( 1.530 -6.833 3.429) 7.797 3.954 ( 3.615 -2.267 -5.915) 7.293 4.407 ( 0.880 5.170 -3.418) 6.260 4.711 ( 0.209 6.548 -9.288) 11.366 5.019 ( 0.442 4.525 -6.758) 8.145 5.123 ( 0.451 5.159 2.587) 5.789 5.412 ( 1.429 0.031 -7.275) 7.414 5.501 ( -5.281 -8.502 5.979) 11.658 8.842 ( -6.535 -3.339 -3.905) 8.313 10.575 ( 9.003 -34.525 35.528) 50.352 13.728 ( -7.414 30.080 -23.282) 38.753 15.593 ( 8.675 7.664 11.932) 16.624 75.363 ( 1.260 0.044 0.887) 1.542 75.487 ( 1.208 -0.866 -0.766) 1.672 ======================= Grid point 319 (154/354) ======================= q-point: (-0.46 0.18 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.941 ( -6.199 -13.292 -13.999) 20.275 2.551 ( -0.649 -4.720 0.948) 4.858 3.071 ( -20.925 -9.110 5.104) 23.386 3.290 ( -5.954 23.114 -0.248) 23.870 3.781 ( 2.597 -1.273 2.151) 3.604 4.008 ( 4.861 -4.288 -4.879) 8.114 4.476 ( 4.026 5.758 -1.389) 7.162 4.720 ( 4.945 10.456 -3.427) 12.063 4.993 ( 0.565 3.732 -10.991) 11.622 5.097 ( -4.972 3.800 4.461) 7.685 5.381 ( -3.902 -3.426 0.615) 5.229 5.528 ( 7.655 -4.588 -2.255) 9.205 8.912 ( 13.864 -1.880 -0.768) 14.012 10.920 ( 12.162 -35.219 32.832) 49.661 13.450 ( -12.644 26.701 -19.425) 35.358 15.732 ( 1.577 2.909 7.929) 8.591 75.369 ( -0.954 -0.028 1.009) 1.389 75.482 ( -1.372 -0.873 -0.877) 1.847 ======================= Grid point 320 (155/354) ======================= q-point: (-0.38 0.18 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.823 ( -1.375 -17.362 -13.670) 22.141 2.479 ( -6.566 -5.589 6.885) 11.034 2.654 ( -18.061 -8.437 1.753) 20.012 3.142 ( -7.706 25.544 0.250) 26.682 3.752 ( -6.111 4.447 0.393) 7.568 4.067 ( 0.136 -2.143 -4.602) 5.079 4.517 ( 0.397 2.133 2.312) 3.170 4.882 ( 8.270 5.630 0.506) 10.017 4.963 ( -2.492 3.992 -7.058) 8.483 4.996 ( -1.468 3.268 0.529) 3.621 5.343 ( 1.444 1.752 -2.295) 3.228 5.708 ( 10.645 -8.471 -3.015) 13.934 9.386 ( 32.893 -1.747 0.675) 32.946 11.257 ( 11.466 -30.939 21.567) 39.419 13.107 ( -14.956 21.721 -11.950) 28.953 15.715 ( -4.989 -1.995 4.029) 6.716 75.333 ( -2.841 -0.156 0.948) 2.999 75.430 ( -3.244 -0.900 -0.907) 3.486 ======================= Grid point 321 (156/354) ======================= q-point: (-0.31 0.18 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.638 ( -16.427 -15.581 -2.913) 22.828 2.269 ( -14.246 7.832 9.047) 18.605 2.617 ( 12.418 -20.205 -0.142) 23.717 3.015 ( -4.538 25.844 -0.270) 26.241 3.549 ( -13.468 14.872 1.404) 20.113 3.951 ( -9.448 -1.264 -5.143) 10.831 4.476 ( -6.235 -6.029 7.161) 11.247 4.797 ( -9.220 -1.134 -1.348) 9.387 4.993 ( 5.921 1.917 -6.257) 8.825 5.141 ( 8.940 7.858 -0.413) 11.909 5.410 ( 5.250 5.486 -4.249) 8.701 5.955 ( 15.191 -12.775 -2.197) 19.969 10.246 ( 51.527 -1.688 1.272) 51.571 11.507 ( 7.866 -17.719 4.227) 19.842 12.832 ( -7.510 12.161 -1.161) 14.340 15.574 ( -9.436 -6.286 1.322) 11.415 75.267 ( -3.748 -0.268 0.578) 3.801 75.356 ( -3.599 -0.955 -0.699) 3.788 ======================= Grid point 322 (157/354) ======================= q-point: (-0.23 0.18 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.235 ( -19.982 -7.361 1.775) 21.368 2.025 ( -14.425 9.223 16.453) 23.745 2.859 ( 1.494 4.532 3.746) 6.066 2.975 ( 1.614 10.383 -4.424) 11.401 3.297 ( -6.771 14.375 4.315) 16.465 3.675 ( -15.353 -1.540 -4.907) 16.192 4.349 ( -7.310 -8.036 3.894) 11.540 4.598 ( -10.702 -3.346 2.878) 11.576 5.088 ( 5.511 0.515 -8.813) 10.407 5.259 ( 3.220 3.353 -3.977) 6.118 5.502 ( 4.555 3.403 -1.354) 5.845 6.306 ( 19.398 -11.982 -1.217) 22.833 11.420 ( 54.845 -2.352 6.758) 55.309 11.581 ( 7.374 3.330 -10.088) 12.932 12.887 ( 12.740 -0.777 3.425) 13.215 15.363 ( -11.083 -8.956 -0.009) 14.249 75.193 ( -3.466 -0.282 0.006) 3.478 75.288 ( -2.799 -1.020 -0.281) 2.992 ======================= Grid point 323 (158/354) ======================= q-point: (-0.15 0.18 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( -6.542 7.174 8.638) 12.995 1.797 ( -14.055 11.720 18.753) 26.203 2.672 ( -17.830 21.114 10.895) 29.705 2.901 ( -4.180 21.443 -3.178) 22.076 3.323 ( -15.455 -1.144 -3.046) 15.794 3.433 ( 9.610 -7.535 2.331) 12.432 4.227 ( -5.142 -6.885 -0.559) 8.612 4.380 ( -12.229 -5.332 6.044) 14.646 5.129 ( 0.227 -1.419 -6.530) 6.687 5.285 ( 3.290 -1.289 -10.067) 10.669 5.573 ( 2.270 -0.717 1.361) 2.742 6.692 ( 18.359 -10.153 -2.780) 21.162 11.510 ( -0.792 15.326 2.051) 15.483 12.706 ( 57.306 -3.416 0.720) 57.412 13.282 ( 23.278 -3.463 -2.022) 23.621 15.145 ( -9.980 -8.763 -0.652) 13.297 75.133 ( -2.398 -0.152 -0.365) 2.430 75.242 ( -1.732 -1.011 0.099) 2.008 ======================= Grid point 324 (159/354) ======================= q-point: (-0.08 0.18 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( 10.884 17.519 14.434) 25.174 1.585 ( -12.364 17.357 15.373) 26.277 2.391 ( -13.164 22.741 23.482) 35.240 2.798 ( -4.215 18.797 -5.488) 20.031 3.023 ( -11.151 3.575 -4.375) 12.501 3.636 ( 8.704 -7.404 5.637) 12.742 4.122 ( -8.537 -6.775 5.067) 12.020 4.185 ( -4.874 -7.262 1.313) 8.844 5.064 ( -3.401 -3.976 -6.686) 8.490 5.332 ( 4.537 -1.849 -13.050) 13.939 5.602 ( -0.078 -4.758 2.753) 5.498 6.985 ( 11.031 -10.004 -7.256) 16.565 11.583 ( 6.197 21.246 8.698) 23.779 13.551 ( 21.181 -2.714 -3.868) 21.702 13.778 ( 26.299 -4.155 0.139) 26.626 14.971 ( -6.381 -4.684 -1.778) 8.113 75.096 ( -1.049 0.094 -0.359) 1.113 75.218 ( -0.821 -0.906 0.382) 1.281 ======================= Grid point 325 (160/354) ======================= q-point: ( 0.00 0.27 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.669 ( 8.630 13.821 18.887) 24.944 1.883 ( -4.344 21.994 8.005) 23.805 2.711 ( -0.516 7.243 8.224) 10.972 3.004 ( 5.362 17.299 7.878) 19.751 3.208 ( -1.294 19.231 -6.761) 20.426 3.551 ( 1.041 -15.081 9.500) 17.854 3.966 ( -1.883 6.111 -1.412) 6.549 3.994 ( 1.217 -10.092 1.423) 10.264 4.902 ( -1.758 -2.649 -12.012) 12.426 5.335 ( 3.058 -1.699 -9.928) 10.526 5.404 ( -3.158 -10.341 2.408) 11.077 6.760 ( -1.127 -18.879 -6.104) 19.873 12.269 ( 7.129 23.774 10.266) 26.859 13.673 ( -1.038 -4.000 -3.239) 5.250 13.988 ( -1.563 1.581 5.093) 5.557 14.887 ( 3.477 -2.259 4.945) 6.453 75.093 ( 0.268 0.339 -0.307) 0.530 75.191 ( -0.009 -1.089 0.388) 1.157 ======================= Grid point 326 (161/354) ======================= q-point: ( 0.08 0.27 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.832 ( 1.911 17.467 10.922) 20.689 1.934 ( 5.863 13.936 21.128) 25.980 2.796 ( 7.205 4.647 -0.206) 8.576 3.089 ( -3.697 13.773 -1.224) 14.313 3.292 ( 12.617 24.056 2.890) 27.317 3.551 ( -2.326 -6.251 6.214) 9.116 4.058 ( 8.590 -7.938 4.007) 12.364 4.091 ( 8.394 -8.452 3.690) 12.471 4.841 ( 0.132 -2.644 -14.805) 15.040 5.325 ( -0.778 -3.035 -8.894) 9.429 5.372 ( -0.408 -7.636 0.011) 7.647 6.628 ( -9.330 -16.583 -4.320) 19.512 12.270 ( -13.504 14.494 2.613) 19.982 13.361 ( -32.354 -10.170 -2.328) 33.994 13.894 ( -2.520 16.777 16.231) 23.479 14.957 ( 2.545 3.899 -1.146) 4.795 75.107 ( 1.166 0.139 -0.335) 1.221 75.199 ( 0.727 -1.044 0.319) 1.311 ======================= Grid point 327 (162/354) ======================= q-point: ( 0.15 0.27 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.943 ( 4.468 14.229 16.834) 22.491 2.137 ( 6.516 10.112 16.888) 20.735 2.847 ( -4.241 7.288 -13.079) 15.562 3.111 ( 10.846 6.431 2.844) 12.926 3.416 ( -1.753 5.625 1.601) 6.106 3.682 ( 12.832 14.622 6.100) 20.389 4.212 ( 4.545 -10.417 13.204) 17.422 4.378 ( 15.427 -10.265 1.667) 18.604 4.800 ( 1.289 -4.346 -18.040) 18.601 5.280 ( -0.960 -3.821 -4.817) 6.223 5.364 ( 0.708 -3.085 -6.297) 7.047 6.391 ( -12.600 -11.875 -0.112) 17.315 11.679 ( -42.401 0.424 -3.209) 42.524 12.411 ( -56.949 -11.270 -3.227) 58.143 14.086 ( 12.563 26.455 22.844) 37.142 14.995 ( 3.133 10.151 -7.739) 13.144 75.138 ( 1.989 0.002 -0.286) 2.010 75.225 ( 1.867 -1.046 0.105) 2.142 ======================= Grid point 328 (163/354) ======================= q-point: ( 0.23 0.27 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.096 ( 3.120 11.192 22.313) 25.157 2.243 ( 0.078 5.568 -6.212) 8.342 2.762 ( 2.919 5.824 0.268) 6.520 3.323 ( 2.758 0.697 0.275) 2.858 3.451 ( 10.275 9.418 0.950) 13.970 3.923 ( 6.383 4.905 7.703) 11.142 4.337 ( 4.162 -3.731 11.919) 13.165 4.642 ( 8.382 -3.968 1.118) 9.341 4.775 ( 3.741 -11.312 -20.073) 23.343 5.265 ( 1.042 -1.004 -4.146) 4.391 5.366 ( 2.096 -0.959 -8.080) 8.402 6.131 ( -13.837 -6.037 3.680) 15.539 10.693 ( -50.404 -10.300 -1.881) 51.480 11.190 ( -58.902 -11.482 -0.288) 60.011 14.442 ( 13.867 29.565 11.430) 34.598 15.055 ( 6.406 13.669 -6.945) 16.616 75.186 ( 2.886 0.053 -0.097) 2.888 75.276 ( 3.190 -1.095 -0.171) 3.377 ======================= Grid point 329 (164/354) ======================= q-point: ( 0.31 0.27 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.151 ( 1.456 4.895 -14.589) 15.457 2.220 ( -0.256 8.017 14.053) 16.181 2.964 ( 12.785 1.573 8.348) 15.350 3.353 ( 1.893 6.591 3.233) 7.582 3.674 ( 8.118 -0.843 -0.373) 8.170 3.949 ( -5.567 -3.295 10.135) 12.024 4.476 ( 5.925 3.502 2.121) 7.202 4.681 ( 1.738 -3.793 -15.361) 15.918 4.871 ( 7.430 -6.684 -3.357) 10.542 5.280 ( 1.063 1.217 -3.464) 3.822 5.394 ( 3.006 0.126 -6.996) 7.616 5.843 ( -16.043 -1.196 4.643) 16.744 9.735 ( -41.909 -13.569 -1.864) 44.090 10.207 ( -36.686 -15.709 11.758) 41.604 14.622 ( 3.932 30.483 -14.176) 33.847 15.254 ( 12.847 13.171 6.324) 19.455 75.252 ( 3.441 0.184 0.152) 3.449 75.349 ( 3.892 -1.145 -0.417) 4.079 ======================= Grid point 330 (165/354) ======================= q-point: ( 0.38 0.27 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.189 ( -3.835 2.456 0.390) 4.570 2.256 ( 10.172 6.752 -7.983) 14.587 3.245 ( 9.490 -1.313 6.493) 11.574 3.431 ( 3.211 2.198 11.700) 12.330 3.660 ( -8.328 -10.779 3.513) 14.067 3.935 ( 4.241 6.597 -4.137) 8.867 4.510 ( -0.628 1.906 -8.020) 8.267 4.714 ( 4.741 -4.825 -8.671) 10.997 5.021 ( 7.747 3.573 0.640) 8.555 5.260 ( -1.961 2.716 -3.887) 5.132 5.424 ( 1.390 0.722 -4.884) 5.129 5.547 ( -12.887 -0.613 3.261) 13.307 9.054 ( -23.938 -7.774 -0.192) 25.170 9.815 ( -9.833 -24.988 25.359) 36.935 14.552 ( -3.139 30.155 -25.412) 39.559 15.538 ( 11.292 9.877 7.433) 16.743 75.320 ( 2.965 0.278 0.389) 3.003 75.422 ( 3.245 -1.164 -0.605) 3.500 ======================= Grid point 331 (166/354) ======================= q-point: ( 0.46 0.27 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.000 ( -13.216 -2.654 -2.424) 13.696 2.467 ( 9.098 4.138 -8.312) 13.000 3.192 ( -15.232 -11.812 11.999) 22.705 3.582 ( 7.018 -0.698 3.620) 7.927 3.636 ( 5.843 2.446 0.789) 6.383 3.970 ( -0.487 4.138 -6.714) 7.902 4.496 ( 2.930 3.395 -4.762) 6.541 4.770 ( 3.268 -1.407 -4.774) 5.955 5.120 ( -0.636 5.666 -1.774) 5.971 5.229 ( 2.379 4.623 -2.614) 5.820 5.354 ( -5.683 -3.965 3.000) 7.551 5.443 ( 0.945 2.330 -5.134) 5.717 8.772 ( -4.826 -3.202 3.423) 6.727 9.898 ( 6.042 -31.080 32.683) 45.504 14.339 ( -8.923 29.407 -27.213) 41.048 15.725 ( 5.094 4.621 2.590) 7.350 75.366 ( 1.272 0.280 0.575) 1.423 75.466 ( 1.211 -1.158 -0.746) 1.833 ======================= Grid point 332 (167/354) ======================= q-point: (-0.46 0.27 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.687 ( -13.238 -9.883 -13.081) 21.072 2.459 ( -10.282 -6.551 6.846) 13.983 2.914 ( -12.667 -3.558 2.350) 13.365 3.688 ( 1.617 8.198 -2.617) 8.757 3.751 ( 1.944 2.912 2.796) 4.481 3.927 ( 2.441 -2.993 -2.624) 4.669 4.574 ( 3.534 3.695 -0.309) 5.122 4.829 ( 3.750 0.280 -1.133) 3.928 5.080 ( -0.111 4.638 -5.272) 7.023 5.209 ( -5.105 5.797 -1.614) 7.892 5.298 ( 0.221 -2.189 -0.540) 2.265 5.491 ( 4.665 0.345 -3.992) 6.150 8.872 ( 13.063 -1.787 5.980) 14.477 10.213 ( 12.959 -33.247 32.527) 48.284 14.008 ( -14.825 27.888 -24.946) 40.247 15.755 ( -2.145 -1.167 -2.418) 3.437 75.371 ( -1.023 0.182 0.674) 1.238 75.462 ( -1.381 -1.143 -0.843) 1.981 ======================= Grid point 333 (168/354) ======================= q-point: (-0.38 0.27 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.462 ( -2.674 -16.606 -18.338) 24.884 2.193 ( -14.755 -17.735 12.276) 26.133 2.694 ( -10.650 7.598 2.392) 13.299 3.612 ( -5.345 18.630 -2.470) 19.538 3.757 ( -1.693 -3.417 2.647) 4.642 4.027 ( 3.056 -1.972 0.549) 3.678 4.572 ( -4.650 2.908 1.601) 5.714 4.908 ( 4.673 -0.769 -1.193) 4.884 5.037 ( -9.272 4.310 -2.920) 10.633 5.131 ( 5.989 6.490 -3.197) 9.392 5.367 ( 7.039 -0.342 -4.147) 8.176 5.559 ( 3.131 -4.650 -3.335) 6.523 9.345 ( 31.771 -1.935 6.731) 32.534 10.623 ( 17.851 -30.388 24.900) 43.152 13.585 ( -18.729 25.197 -19.468) 36.942 15.630 ( -8.485 -6.762 -5.649) 12.233 75.332 ( -2.935 0.024 0.630) 3.002 75.409 ( -3.280 -1.135 -0.848) 3.573 ======================= Grid point 334 (169/354) ======================= q-point: (-0.31 0.27 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.344 ( -7.938 -12.890 -7.134) 16.735 2.145 ( 8.956 -22.032 4.345) 24.176 2.493 ( -10.282 11.067 7.428) 16.833 3.508 ( -4.196 20.201 -1.625) 20.696 3.697 ( -5.114 -0.705 2.259) 5.635 3.977 ( -8.275 2.505 1.683) 8.808 4.414 ( -10.763 1.212 4.509) 11.732 4.806 ( -11.727 3.104 0.213) 12.133 5.014 ( 6.212 0.506 -10.422) 12.143 5.270 ( 5.748 4.370 -1.430) 7.361 5.496 ( 3.675 2.406 -2.705) 5.159 5.671 ( 13.126 -14.389 -2.252) 19.606 10.204 ( 50.544 -2.144 6.271) 50.976 11.106 ( 23.550 -20.556 10.847) 33.088 13.166 ( -15.897 20.370 -10.191) 27.776 15.394 ( -12.232 -11.589 -5.823) 17.828 75.263 ( -3.774 -0.090 0.358) 3.792 75.334 ( -3.672 -1.164 -0.645) 3.906 ======================= Grid point 335 (170/354) ======================= q-point: (-0.23 0.27 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.161 ( -6.342 0.001 3.586) 7.286 2.239 ( -9.347 9.567 12.493) 18.302 2.538 ( 15.722 -17.730 -0.397) 23.700 3.414 ( -5.073 18.392 -2.984) 19.311 3.562 ( -8.850 3.522 2.461) 9.838 3.740 ( -14.278 10.170 1.651) 17.607 4.217 ( -9.504 -2.725 5.828) 11.477 4.568 ( -11.868 1.688 0.751) 12.011 5.084 ( 4.018 -0.650 -10.338) 11.110 5.296 ( -1.153 -0.041 -5.851) 5.963 5.520 ( 0.176 -1.834 0.720) 1.979 6.040 ( 20.782 -13.809 -0.761) 24.963 11.368 ( 57.110 -2.467 8.992) 57.866 11.606 ( 25.417 -1.518 -7.797) 26.630 12.973 ( 1.186 10.240 1.273) 10.387 15.125 ( -12.266 -14.634 -2.535) 19.262 75.190 ( -3.374 -0.060 -0.038) 3.374 75.265 ( -2.848 -1.225 -0.273) 3.112 ======================= Grid point 336 (171/354) ======================= q-point: (-0.15 0.27 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.179 ( 5.666 13.056 10.196) 17.508 2.080 ( -9.691 16.254 15.272) 24.317 2.781 ( 5.103 -12.675 0.922) 13.695 3.240 ( -11.252 12.350 -3.900) 17.157 3.395 ( -7.018 6.861 1.859) 9.989 3.498 ( -8.126 13.573 4.085) 16.338 4.083 ( -5.547 -6.184 3.749) 9.114 4.330 ( -11.874 2.283 1.122) 12.144 5.084 ( -1.446 -2.767 -8.517) 9.071 5.258 ( 1.489 -1.418 -8.543) 8.787 5.507 ( -1.840 -5.594 1.373) 6.046 6.432 ( 17.354 -15.166 -1.804) 23.118 11.853 ( 9.664 17.561 0.072) 20.044 12.634 ( 55.542 -3.631 -0.566) 55.664 13.247 ( 21.936 0.807 2.516) 22.095 14.911 ( -8.305 -14.345 3.005) 16.846 75.132 ( -2.189 0.113 -0.283) 2.211 75.219 ( -1.671 -1.237 0.061) 2.081 ======================= Grid point 337 (172/354) ======================= q-point: (-0.08 0.27 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.407 ( 10.907 16.147 14.924) 24.544 1.964 ( -6.692 20.337 12.538) 24.811 2.756 ( -5.838 4.122 8.094) 10.798 3.016 ( -7.446 12.847 -0.712) 14.867 3.284 ( -4.313 14.675 -3.692) 15.735 3.473 ( 1.932 -6.139 9.011) 11.073 4.006 ( -2.821 -8.925 0.739) 9.389 4.108 ( -9.782 5.913 0.017) 11.430 4.993 ( -3.410 -3.129 -9.669) 10.719 5.292 ( 3.830 -2.455 -8.082) 9.275 5.462 ( -2.858 -8.217 0.896) 8.746 6.696 ( 9.246 -17.810 -4.545) 20.575 12.050 ( 9.574 24.092 7.649) 27.030 13.478 ( 24.709 -4.620 -5.319) 25.694 13.732 ( 22.804 0.034 3.324) 23.045 14.830 ( -1.196 -9.390 6.959) 11.749 75.100 ( -0.879 0.320 -0.323) 0.989 75.196 ( -0.698 -1.170 0.294) 1.394 ======================= Grid point 338 (173/354) ======================= q-point: ( 0.00 0.36 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.956 ( 8.085 14.504 18.296) 24.708 2.322 ( -5.384 20.855 4.169) 21.938 2.722 ( 3.330 -4.366 6.619) 8.600 3.219 ( -5.588 -3.114 4.710) 7.944 3.314 ( 8.655 -3.641 0.102) 9.390 3.554 ( 3.222 7.840 2.367) 8.801 3.844 ( -0.044 4.027 5.457) 6.782 4.223 ( -5.083 16.497 -8.558) 19.267 4.843 ( -1.503 -3.878 -9.882) 10.721 5.139 ( -0.838 -12.754 1.141) 12.832 5.363 ( 0.664 2.867 -8.288) 8.795 6.319 ( -1.565 -23.555 -4.147) 23.968 12.726 ( 2.864 20.572 6.141) 21.659 13.544 ( -3.589 -8.096 -3.198) 9.416 14.104 ( 5.881 9.079 11.885) 16.071 14.786 ( 8.072 -7.670 12.579) 16.799 75.103 ( 0.185 0.663 -0.251) 0.732 75.167 ( 0.071 -1.221 0.230) 1.244 ======================= Grid point 339 (174/354) ======================= q-point: ( 0.08 0.36 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.153 ( 4.300 14.719 12.518) 19.795 2.272 ( -0.034 18.202 13.149) 22.454 2.834 ( 5.876 -1.077 3.273) 6.812 3.113 ( -4.946 -7.165 1.891) 8.909 3.502 ( 6.674 -1.194 0.867) 6.835 3.671 ( 5.853 0.449 3.354) 6.761 3.966 ( 9.976 10.744 9.089) 17.250 4.142 ( 1.449 12.044 -8.079) 14.575 4.785 ( -0.496 -3.295 -13.938) 14.331 5.136 ( 0.049 -11.660 1.609) 11.771 5.348 ( 0.848 2.241 -8.503) 8.834 6.218 ( -6.426 -22.413 -3.027) 23.512 12.543 ( -24.820 12.276 -0.644) 27.698 13.162 ( -34.296 -9.495 -1.898) 35.637 14.256 ( 7.731 18.079 20.510) 28.413 14.974 ( 7.447 -2.462 6.939) 10.473 75.114 ( 0.988 0.575 -0.250) 1.170 75.176 ( 0.773 -1.188 0.183) 1.429 ======================= Grid point 340 (175/354) ======================= q-point: ( 0.15 0.36 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.231 ( 2.757 13.327 8.808) 16.211 2.381 ( 1.638 13.942 17.370) 22.333 2.873 ( -3.898 -2.935 -2.379) 5.429 3.136 ( 8.161 -1.475 2.191) 8.578 3.557 ( -1.249 1.613 5.967) 6.306 3.793 ( 5.684 -4.926 0.953) 7.581 4.175 ( 6.408 4.232 3.600) 8.481 4.328 ( 16.966 11.229 0.852) 20.364 4.719 ( -0.936 -4.060 -16.936) 17.441 5.158 ( 2.105 -8.070 0.141) 8.341 5.344 ( 1.617 1.576 -8.054) 8.364 6.070 ( -7.098 -18.277 0.171) 19.608 11.732 ( -51.752 4.496 -2.971) 52.032 12.196 ( -57.606 -9.920 -2.128) 58.492 14.578 ( 15.544 21.482 21.171) 33.931 15.141 ( 7.880 3.736 -0.460) 8.733 75.143 ( 1.934 0.486 -0.232) 2.008 75.202 ( 1.856 -1.184 0.027) 2.201 ======================= Grid point 341 (176/354) ======================= q-point: ( 0.23 0.36 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.344 ( 3.733 11.268 15.180) 19.270 2.377 ( -4.236 8.660 -2.886) 10.063 2.819 ( 0.235 1.454 7.830) 7.967 3.329 ( 8.852 -0.458 -2.781) 9.290 3.547 ( -3.392 -3.569 16.666) 17.378 3.890 ( 4.093 -3.569 -3.034) 6.220 4.317 ( 6.637 -2.236 2.066) 7.302 4.628 ( 0.568 -1.476 -14.944) 15.027 4.673 ( 13.108 7.158 -1.453) 15.005 5.225 ( 4.444 -3.689 -1.348) 5.931 5.361 ( 2.665 1.667 -7.372) 8.014 5.938 ( -7.021 -12.085 2.983) 14.292 10.581 ( -57.503 -1.174 -0.499) 57.517 10.964 ( -59.977 -10.630 0.414) 60.913 14.958 ( 14.671 20.789 10.261) 27.435 15.288 ( 8.078 8.599 -4.846) 12.755 75.192 ( 2.981 0.497 -0.157) 3.026 75.252 ( 3.135 -1.222 -0.181) 3.370 ======================= Grid point 342 (177/354) ======================= q-point: ( 0.31 0.36 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.301 ( 2.500 9.989 -15.127) 18.299 2.440 ( -1.764 12.691 20.910) 24.524 2.933 ( 7.561 -3.557 8.565) 11.966 3.450 ( 3.389 4.109 -1.654) 5.577 3.501 ( -7.241 -14.517 19.189) 25.128 3.953 ( 4.340 -1.134 -7.511) 8.748 4.450 ( 6.027 -6.699 -1.417) 9.121 4.560 ( -0.263 -1.220 -11.907) 11.973 4.938 ( 11.874 8.671 -1.063) 14.741 5.305 ( 3.019 0.522 -1.259) 3.313 5.397 ( 3.182 0.992 -6.755) 7.533 5.776 ( -10.548 -5.424 2.931) 12.218 9.549 ( -42.358 -4.413 3.654) 42.744 9.919 ( -41.911 -12.833 8.019) 44.559 15.152 ( 4.612 21.257 -13.562) 25.633 15.481 ( 11.199 8.481 2.205) 14.220 75.259 ( 3.582 0.582 -0.040) 3.630 75.324 ( 3.842 -1.277 -0.377) 4.066 ======================= Grid point 343 (178/354) ======================= q-point: ( 0.38 0.36 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.325 ( -6.488 10.504 -0.678) 12.365 2.458 ( 7.121 12.792 0.799) 14.663 3.108 ( 0.698 -10.369 8.953) 13.717 3.351 ( -5.636 -10.364 19.224) 22.555 3.551 ( 5.380 0.616 -5.468) 7.695 4.010 ( 3.884 -2.650 -10.989) 11.953 4.505 ( 2.258 -2.065 -9.215) 9.710 4.595 ( 4.630 -2.713 1.849) 5.676 5.148 ( 9.196 7.052 -1.012) 11.632 5.313 ( -1.398 3.026 -2.024) 3.900 5.437 ( 1.794 0.452 -5.060) 5.387 5.549 ( -10.480 -0.392 0.372) 10.494 8.935 ( -20.638 -3.272 7.328) 22.143 9.382 ( -15.964 -17.674 19.315) 30.664 15.101 ( -2.461 23.399 -24.221) 33.768 15.685 ( 7.603 3.968 -1.289) 8.673 75.329 ( 3.060 0.652 0.090) 3.130 75.396 ( 3.224 -1.310 -0.532) 3.521 ======================= Grid point 344 (179/354) ======================= q-point: ( 0.46 0.36 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.039 ( -19.574 6.470 0.760) 20.629 2.572 ( -3.886 3.476 -2.483) 5.775 2.973 ( -6.591 -6.713 9.384) 13.288 3.479 ( 6.612 -7.809 8.985) 13.617 3.659 ( 7.343 0.460 -3.681) 8.227 4.011 ( -0.025 -3.040 -12.237) 12.609 4.552 ( 4.434 2.526 -2.622) 5.737 4.694 ( 4.159 -3.931 2.464) 6.231 5.239 ( -2.742 5.590 -2.987) 6.906 5.290 ( 0.692 1.695 0.519) 1.903 5.366 ( -0.721 3.922 -4.196) 5.789 5.485 ( 0.910 1.105 -3.490) 3.772 8.730 ( -3.356 -0.330 10.661) 11.182 9.346 ( 2.515 -22.825 27.350) 35.712 14.899 ( -8.661 25.252 -27.598) 38.398 15.758 ( 0.898 -1.879 -7.683) 7.961 75.375 ( 1.275 0.638 0.204) 1.440 75.441 ( 1.218 -1.296 -0.647) 1.893 ======================= Grid point 345 (180/354) ======================= q-point: (-0.46 0.36 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.591 ( -21.844 0.991 -7.788) 23.212 2.252 ( -23.137 -12.883 7.900) 27.636 2.961 ( -1.286 7.090 2.453) 7.612 3.591 ( 1.966 -8.383 6.268) 10.650 3.830 ( 9.766 -1.086 -1.377) 9.922 3.945 ( -2.090 1.669 -9.445) 9.817 4.630 ( 2.444 2.164 1.337) 3.528 4.775 ( 3.017 -4.006 3.029) 5.859 5.171 ( -1.297 4.814 -6.307) 8.040 5.273 ( -0.419 2.213 0.004) 2.253 5.364 ( -0.936 5.260 -6.208) 8.191 5.505 ( 1.940 0.377 -2.356) 3.076 8.859 ( 12.226 1.140 12.970) 17.860 9.608 ( 12.969 -25.675 29.206) 40.993 14.564 ( -15.103 26.326 -27.401) 40.890 15.668 ( -6.251 -7.736 -12.638) 16.082 75.378 ( -1.107 0.518 0.267) 1.251 75.437 ( -1.360 -1.239 -0.718) 1.975 ======================= Grid point 346 (181/354) ======================= q-point: (-0.38 0.36 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.212 ( -8.713 -6.588 -14.940) 18.508 1.828 ( -19.007 -17.845 10.603) 28.145 2.889 ( -6.594 11.100 5.243) 13.935 3.613 ( -1.536 -9.139 6.016) 11.049 3.865 ( -3.052 4.813 -3.587) 6.734 3.999 ( 4.940 -0.466 -1.149) 5.093 4.632 ( -3.392 3.292 3.790) 6.059 4.868 ( 6.724 -3.372 -0.394) 7.532 5.122 ( -4.160 4.095 -3.887) 7.013 5.247 ( -0.123 5.406 -2.970) 6.169 5.350 ( 2.835 -0.216 -7.729) 8.236 5.517 ( -0.282 -1.217 -2.100) 2.444 9.328 ( 30.227 0.973 13.148) 32.977 10.060 ( 22.854 -24.369 24.754) 41.580 14.116 ( -19.896 26.522 -23.860) 40.848 15.429 ( -12.273 -13.190 -14.676) 23.238 75.335 ( -3.034 0.342 0.242) 3.063 75.386 ( -3.278 -1.168 -0.711) 3.552 ======================= Grid point 347 (182/354) ======================= q-point: (-0.31 0.36 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( 2.117 -6.383 -7.946) 10.410 1.707 ( 6.908 -20.375 6.340) 22.429 2.753 ( -8.742 13.928 8.396) 18.463 3.584 ( -3.027 -9.032 5.793) 11.149 3.769 ( -6.259 5.277 -2.130) 8.459 3.998 ( -4.516 -0.326 1.278) 4.705 4.531 ( -7.597 9.687 4.719) 13.184 4.939 ( -10.777 9.117 -0.800) 14.139 5.013 ( 6.425 -1.010 -9.141) 11.218 5.307 ( 2.111 -0.902 -1.998) 3.043 5.414 ( 7.410 -9.391 -3.528) 12.471 5.500 ( 1.841 -1.972 -2.892) 3.955 10.178 ( 49.177 0.122 11.193) 50.435 10.711 ( 34.801 -17.634 14.308) 41.555 13.637 ( -19.253 25.364 -16.007) 35.640 15.097 ( -15.208 -17.775 -12.405) 26.478 75.265 ( -3.772 0.228 0.082) 3.780 75.310 ( -3.725 -1.145 -0.553) 3.936 ======================= Grid point 348 (183/354) ======================= q-point: (-0.23 0.36 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.221 ( 7.482 5.564 4.479) 10.344 2.040 ( 19.713 -19.878 0.976) 28.012 2.607 ( -8.390 15.771 10.257) 20.600 3.530 ( -5.327 -4.705 2.061) 7.400 3.592 ( -8.635 -0.455 0.827) 8.686 3.855 ( -9.659 -0.361 1.238) 9.744 4.361 ( -10.798 16.355 4.050) 20.012 4.708 ( -10.755 11.206 -0.406) 15.537 5.065 ( 1.764 -1.189 -9.713) 9.943 5.269 ( -2.121 -2.331 -6.900) 7.585 5.425 ( -2.594 -7.056 1.809) 7.732 5.764 ( 17.857 -12.966 -0.785) 22.081 11.331 ( 57.994 -0.856 9.710) 58.808 11.528 ( 42.332 -5.394 -1.419) 42.698 13.300 ( -8.676 21.034 -3.310) 22.992 14.768 ( -13.365 -20.457 -5.014) 24.945 75.192 ( -3.236 0.275 -0.138) 3.250 75.240 ( -2.908 -1.197 -0.276) 3.156 ======================= Grid point 349 (184/354) ======================= q-point: (-0.15 0.36 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.452 ( 11.651 13.647 10.295) 20.688 2.379 ( 9.814 -4.770 5.562) 12.248 2.510 ( -2.281 6.344 7.689) 10.226 3.323 ( -9.752 2.150 -4.819) 11.088 3.531 ( -2.215 -4.572 6.198) 8.014 3.629 ( -12.236 -1.116 1.008) 12.328 4.129 ( -12.721 14.551 3.814) 19.701 4.519 ( -7.554 14.638 -2.762) 16.703 5.018 ( -3.077 -3.949 -7.536) 9.048 5.211 ( -1.789 -5.036 -4.478) 6.972 5.386 ( -0.787 -3.675 -2.375) 4.446 6.091 ( 13.682 -17.970 -0.770) 22.599 12.179 ( 25.276 13.409 -2.265) 28.703 12.560 ( 53.176 -3.626 -1.925) 53.334 13.354 ( 14.052 10.578 7.567) 19.147 14.563 ( -6.064 -19.679 6.291) 21.531 75.138 ( -1.985 0.445 -0.259) 2.051 75.193 ( -1.654 -1.252 -0.022) 2.075 ======================= Grid point 350 (185/354) ======================= q-point: (-0.08 0.36 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.719 ( 9.914 14.897 14.928) 23.303 2.402 ( -4.116 22.219 8.226) 24.048 2.624 ( 5.146 -12.306 6.411) 14.800 3.193 ( 0.149 2.923 -6.631) 7.248 3.389 ( -11.086 -3.643 8.114) 14.214 3.527 ( -0.431 1.860 1.257) 2.286 3.917 ( -8.481 7.889 4.073) 12.279 4.367 ( -6.245 16.684 -6.414) 18.934 4.921 ( -3.347 -4.697 -7.335) 9.331 5.164 ( -1.725 -10.487 -0.853) 10.662 5.374 ( 0.756 1.422 -6.616) 6.810 6.288 ( 6.126 -21.732 -2.829) 22.755 12.532 ( 12.399 22.538 3.922) 26.021 13.362 ( 24.610 -6.772 -6.471) 26.332 13.790 ( 21.072 5.857 9.161) 23.712 14.590 ( 4.772 -14.079 14.591) 20.830 75.110 ( -0.751 0.616 -0.270) 1.008 75.171 ( -0.619 -1.254 0.156) 1.407 ======================= Grid point 351 (186/354) ======================= q-point: ( 0.00 0.45 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.254 ( 8.198 14.650 16.425) 23.487 2.530 ( 6.599 -11.238 12.299) 17.919 2.734 ( -6.197 16.922 2.424) 18.183 3.038 ( -7.765 -11.918 0.980) 14.259 3.329 ( 6.718 3.181 -2.598) 7.874 3.450 ( 4.110 -8.344 0.074) 9.302 4.192 ( -0.698 19.883 8.850) 21.775 4.464 ( -3.562 -0.538 -5.169) 6.301 4.764 ( -1.094 1.244 -7.069) 7.260 4.913 ( -0.064 -9.329 -11.904) 15.124 5.502 ( -0.856 11.781 -3.598) 12.348 5.849 ( -1.981 -21.452 -2.638) 21.704 13.090 ( -1.654 15.229 1.149) 15.362 13.352 ( -3.931 -10.907 -1.998) 11.765 14.330 ( 10.675 12.540 17.055) 23.708 14.584 ( 11.072 -11.812 17.245) 23.653 75.120 ( 0.152 0.971 -0.127) 0.991 75.142 ( 0.123 -1.177 0.047) 1.185 ======================= Grid point 352 (187/354) ======================= q-point: ( 0.08 0.45 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.444 ( 3.711 13.677 11.929) 18.524 2.610 ( -0.858 9.970 6.453) 11.907 2.739 ( 3.698 -3.549 11.718) 12.790 2.938 ( -1.164 -10.602 2.888) 11.050 3.459 ( 5.479 -0.109 0.215) 5.484 3.537 ( 4.395 -7.067 0.751) 8.356 4.290 ( 5.902 14.731 5.354) 16.748 4.419 ( 2.753 7.558 -10.182) 12.976 4.721 ( -0.625 0.497 -8.719) 8.756 4.895 ( 1.748 -11.798 -5.119) 12.979 5.465 ( -1.096 10.093 -4.292) 11.022 5.774 ( -3.835 -19.836 -2.299) 20.334 12.771 ( -31.332 10.375 -1.575) 33.042 12.971 ( -34.068 -9.459 -1.696) 35.398 14.600 ( 11.728 15.193 19.447) 27.323 14.853 ( 11.040 -9.397 14.335) 20.388 75.130 ( 0.888 0.939 -0.134) 1.299 75.152 ( 0.824 -1.157 0.021) 1.421 ======================= Grid point 353 (188/354) ======================= q-point: ( 0.15 0.45 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.475 ( -0.238 10.669 2.938) 11.069 2.614 ( -3.236 2.035 3.662) 5.294 2.829 ( 2.007 5.384 16.515) 17.486 3.046 ( 6.339 -9.250 12.823) 17.034 3.522 ( 0.489 0.985 2.818) 3.024 3.638 ( 5.516 -8.630 -2.571) 10.560 4.355 ( 2.495 11.539 -7.327) 13.894 4.540 ( 6.686 -2.953 -9.444) 11.942 4.709 ( 4.779 10.775 -3.791) 12.381 4.962 ( 5.648 -11.284 -0.285) 12.622 5.443 ( 0.608 8.721 -3.976) 9.604 5.704 ( -2.197 -16.479 -0.546) 16.634 11.850 ( -56.309 6.918 -2.110) 56.772 12.008 ( -57.765 -8.545 -1.733) 58.419 14.941 ( 15.087 13.847 15.672) 25.787 15.132 ( 12.239 -4.882 7.870) 15.348 75.157 ( 1.889 0.896 -0.169) 2.097 75.178 ( 1.863 -1.141 -0.075) 2.186 ======================= Grid point 354 (189/354) ======================= q-point: ( 0.23 0.45 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.501 ( 1.383 5.943 -0.703) 6.142 2.551 ( -0.737 3.150 2.591) 4.145 2.907 ( -1.475 9.808 19.915) 22.248 3.183 ( 0.597 -14.111 18.011) 22.888 3.531 ( 0.728 5.992 0.004) 6.036 3.725 ( 4.450 -11.356 -6.135) 13.653 4.389 ( 3.210 7.806 -5.889) 10.292 4.539 ( 0.265 -6.050 -11.632) 13.114 4.905 ( 11.555 11.453 -0.837) 16.290 5.104 ( 7.987 -8.003 -1.099) 11.360 5.462 ( 2.058 8.239 -2.900) 8.974 5.679 ( -0.967 -12.494 1.034) 12.574 10.624 ( -60.669 4.967 0.514) 60.874 10.766 ( -61.007 -8.632 0.765) 61.619 15.276 ( 13.358 10.401 5.879) 17.922 15.380 ( 10.738 -0.017 -0.077) 10.738 75.206 ( 3.040 0.908 -0.198) 3.179 75.228 ( 3.087 -1.166 -0.200) 3.306 ======================= Grid point 355 (190/354) ======================= q-point: ( 0.31 0.45 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.530 ( 5.717 11.244 -7.132) 14.490 2.660 ( 6.015 3.470 12.027) 13.888 2.891 ( -5.165 4.780 12.846) 14.647 3.166 ( -8.617 -17.180 21.372) 28.744 3.566 ( 3.262 7.996 -3.978) 9.508 3.782 ( 3.757 -12.385 -8.235) 15.340 4.445 ( 3.960 4.169 -3.885) 6.939 4.525 ( 1.803 -2.927 -6.950) 7.754 5.116 ( 9.570 8.060 -2.200) 12.704 5.253 ( 6.855 -5.220 -1.654) 8.774 5.482 ( 0.333 6.852 -2.918) 7.455 5.637 ( -4.166 -7.743 0.488) 8.806 9.549 ( -43.865 3.945 5.789) 44.421 9.690 ( -43.875 -9.475 6.668) 45.379 15.474 ( 6.435 10.307 -9.659) 15.522 15.574 ( 8.896 0.201 -3.667) 9.625 75.275 ( 3.691 0.974 -0.203) 3.823 75.298 ( 3.776 -1.226 -0.313) 3.982 ======================= Grid point 356 (191/354) ======================= q-point: ( 0.38 0.45 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.581 ( -9.495 13.778 4.405) 17.303 2.756 ( 2.111 14.600 3.667) 15.201 2.868 ( -2.756 -11.482 9.251) 15.001 3.089 ( 2.671 -14.848 12.700) 19.720 3.626 ( 4.151 6.784 -5.012) 9.401 3.825 ( 3.464 -11.963 -9.163) 15.462 4.519 ( 4.406 2.624 -2.716) 5.803 4.565 ( 3.564 -1.577 -2.235) 4.493 5.274 ( 6.344 5.243 -1.165) 8.312 5.350 ( 1.885 -1.260 0.459) 2.314 5.458 ( -0.209 2.569 -5.476) 6.052 5.518 ( -6.138 -2.538 -2.174) 6.989 8.940 ( -19.759 3.929 11.877) 23.386 9.092 ( -18.983 -10.936 14.930) 26.511 15.487 ( -0.031 14.384 -18.919) 23.767 15.681 ( 3.571 -4.701 -10.703) 12.223 75.346 ( 3.135 1.026 -0.184) 3.304 75.370 ( 3.188 -1.268 -0.395) 3.454 ======================= Grid point 357 (192/354) ======================= q-point: ( 0.46 0.45 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.235 ( -23.381 11.863 4.439) 26.591 2.480 ( -23.099 -10.874 5.617) 26.141 3.037 ( 9.265 10.706 3.708) 14.636 3.279 ( 7.731 -11.584 6.683) 15.447 3.705 ( 5.776 4.868 -5.235) 9.190 3.860 ( 3.247 -9.466 -9.522) 13.814 4.603 ( 4.235 2.256 -0.821) 4.868 4.641 ( 3.818 -1.771 0.428) 4.231 5.324 ( -2.628 2.195 -1.151) 3.613 5.326 ( -1.668 1.626 0.960) 2.519 5.439 ( 1.786 2.722 -5.296) 6.217 5.480 ( 1.885 -1.356 -4.325) 4.909 8.780 ( -2.045 5.728 16.551) 17.633 8.976 ( -0.293 -13.721 21.653) 25.636 15.346 ( -6.615 18.411 -24.033) 30.988 15.637 ( -3.226 -10.113 -17.048) 20.083 75.392 ( 1.261 1.000 -0.157) 1.617 75.415 ( 1.237 -1.244 -0.450) 1.811 ======================= Grid point 358 (193/354) ======================= q-point: (-0.46 0.45 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.716 ( -27.164 10.453 -0.852) 29.119 1.973 ( -27.420 -13.929 4.681) 31.109 3.156 ( 0.977 11.282 4.785) 12.293 3.390 ( 1.127 -11.138 6.606) 12.999 3.829 ( 7.370 1.771 -3.747) 8.455 3.901 ( 3.928 -4.416 -7.971) 9.923 4.670 ( 2.147 1.838 1.224) 3.080 4.710 ( 2.668 -2.323 1.672) 3.913 5.267 ( -1.646 3.794 -4.100) 5.824 5.304 ( -0.076 0.208 -1.851) 1.864 5.448 ( -0.514 3.028 -4.853) 5.744 5.494 ( 0.585 -1.483 -2.822) 3.241 8.943 ( 11.989 7.585 19.094) 23.787 9.182 ( 12.439 -16.235 24.363) 31.810 15.057 ( -13.391 21.814 -26.030) 36.507 15.435 ( -10.208 -15.157 -20.902) 27.764 75.392 ( -1.205 0.876 -0.139) 1.496 75.413 ( -1.297 -1.142 -0.481) 1.794 ======================= Grid point 359 (194/354) ======================= q-point: (-0.38 0.45 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.227 ( -16.710 7.811 -4.332) 18.947 1.481 ( -19.980 -15.791 5.362) 26.025 3.133 ( -4.400 12.705 6.803) 15.069 3.391 ( -2.770 -12.257 7.223) 14.494 3.910 ( 0.609 1.976 -1.991) 2.870 3.967 ( 3.264 -2.989 -3.706) 5.773 4.707 ( 1.409 3.924 2.943) 5.104 4.788 ( 5.523 -4.067 1.210) 6.964 5.218 ( -2.139 5.000 -5.093) 7.451 5.295 ( -0.551 -1.772 -3.311) 3.795 5.391 ( -2.617 4.372 -6.175) 8.006 5.473 ( -1.692 -3.252 -3.064) 4.778 9.410 ( 28.447 7.581 18.535) 34.789 9.649 ( 26.225 -16.002 22.376) 38.007 14.640 ( -18.722 24.578 -24.511) 39.438 15.094 ( -15.904 -19.699 -21.307) 33.090 75.346 ( -3.136 0.704 -0.147) 3.217 75.363 ( -3.225 -1.008 -0.476) 3.412 ======================= Grid point 360 (195/354) ======================= q-point: (-0.31 0.45 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.122 ( 6.736 5.204 -1.961) 8.735 1.339 ( 6.104 -15.251 4.932) 17.152 3.048 ( -6.213 14.911 8.478) 18.244 3.345 ( -4.044 -13.817 8.008) 16.474 3.843 ( -6.839 3.953 -1.101) 7.976 3.940 ( -5.260 -4.883 -1.141) 7.267 4.759 ( 1.996 11.128 4.020) 11.999 4.942 ( 8.101 -6.466 -1.870) 10.532 5.116 ( -6.960 7.318 -2.742) 10.465 5.238 ( -4.302 -4.917 -1.753) 6.764 5.342 ( 0.652 1.801 -7.069) 7.324 5.426 ( -0.078 -4.813 -4.308) 6.460 10.231 ( 46.736 5.470 14.441) 49.221 10.408 ( 42.247 -11.961 15.426) 46.538 14.169 ( -19.498 26.245 -18.219) 37.428 14.677 ( -17.855 -23.273 -16.863) 33.835 75.273 ( -3.763 0.599 -0.186) 3.815 75.289 ( -3.752 -0.933 -0.403) 3.887 ======================= Grid point 361 (196/354) ======================= q-point: (-0.23 0.45 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.386 ( 16.487 10.793 4.228) 20.154 1.663 ( 20.115 -16.441 2.783) 26.128 2.954 ( -5.791 17.529 9.263) 20.654 3.296 ( -3.224 -15.522 8.227) 17.861 3.641 ( -11.755 4.905 -1.760) 12.858 3.767 ( -10.779 -6.600 -0.936) 12.674 4.750 ( -6.540 19.673 3.043) 20.954 4.926 ( -6.564 8.096 -3.839) 11.107 5.030 ( -1.391 -2.652 -8.380) 8.899 5.115 ( -6.527 -14.270 1.514) 15.764 5.363 ( 3.562 3.813 -3.297) 6.172 5.524 ( 10.024 -10.500 -1.789) 14.627 11.343 ( 56.783 2.136 8.240) 57.418 11.417 ( 52.093 -4.935 4.444) 52.514 13.784 ( -12.822 25.628 -6.127) 29.304 14.304 ( -13.827 -24.798 -6.491) 29.124 75.201 ( -3.100 0.644 -0.226) 3.174 75.218 ( -2.989 -0.979 -0.269) 3.157 ======================= Grid point 362 (197/354) ======================= q-point: (-0.15 0.45 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.737 ( 14.850 14.630 8.286) 22.433 2.055 ( 16.033 -16.774 5.157) 23.770 2.889 ( -3.590 20.368 8.882) 22.508 3.277 ( -1.539 -17.110 7.965) 18.935 3.398 ( -10.228 5.202 -3.532) 12.006 3.528 ( -11.399 -6.907 -2.019) 13.480 4.523 ( -14.326 20.184 4.717) 25.196 4.790 ( -7.493 6.082 -6.852) 11.836 4.903 ( -5.635 -5.531 -1.090) 7.971 5.030 ( -1.717 -9.747 -9.971) 14.049 5.448 ( 4.570 9.316 -1.695) 10.514 5.727 ( 8.804 -16.954 0.052) 19.104 12.380 ( 40.853 6.788 -3.212) 41.538 12.484 ( 49.189 -4.075 -2.814) 49.438 13.677 ( 3.391 20.320 9.744) 22.789 14.127 ( -2.746 -22.710 8.745) 24.490 75.150 ( -1.817 0.788 -0.212) 1.992 75.169 ( -1.702 -1.082 -0.125) 2.021 ======================= Grid point 363 (198/354) ======================= q-point: (-0.08 0.45 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.023 ( 10.081 15.146 12.905) 22.306 2.334 ( 9.409 -15.272 9.826) 20.452 2.844 ( -4.637 20.707 6.033) 22.061 3.212 ( -9.126 -13.895 5.013) 17.364 3.262 ( -0.516 4.154 -4.927) 6.465 3.389 ( 0.678 -8.273 -1.718) 8.477 4.281 ( -10.371 20.683 7.247) 24.246 4.597 ( -8.291 -3.450 -2.724) 9.384 4.819 ( -2.195 1.634 -6.111) 6.695 4.965 ( -0.765 -8.282 -13.034) 15.462 5.507 ( 1.677 11.961 -2.332) 12.301 5.848 ( 3.114 -20.482 -1.345) 20.761 12.932 ( 16.379 16.332 -2.556) 23.271 13.195 ( 21.327 -10.038 -6.414) 24.428 13.977 ( 17.651 12.512 16.456) 27.183 14.276 ( 11.345 -16.029 18.770) 27.166 75.125 ( -0.655 0.921 -0.163) 1.142 75.147 ( -0.605 -1.158 -0.009) 1.306 ======================= Grid point 429 (199/354) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.087 ( 10.671 0.000 17.083) 20.142 1.399 ( 7.871 0.000 22.428) 23.769 1.907 ( -9.244 0.000 -10.730) 14.162 2.619 ( -3.492 0.000 -12.284) 12.770 2.754 ( -3.518 0.000 39.942) 40.096 4.109 ( 14.739 0.000 1.077) 14.778 4.262 ( -2.015 0.000 -1.106) 2.298 4.766 ( -0.366 0.000 14.474) 14.478 5.041 ( 1.770 0.000 -13.460) 13.576 5.346 ( 1.096 0.000 4.327) 4.464 5.645 ( -0.555 0.000 -3.117) 3.166 6.620 ( -8.936 0.000 -17.196) 19.379 11.593 ( 11.619 0.000 20.154) 23.264 13.635 ( -4.642 0.000 -3.275) 5.681 14.272 ( 0.986 0.000 1.116) 1.489 14.394 ( -11.306 0.000 -19.880) 22.870 75.084 ( 0.530 0.000 -0.292) 0.605 75.238 ( -0.138 0.000 0.463) 0.483 ======================= Grid point 430 (200/354) ======================= q-point: ( 0.08 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.424 ( 15.722 0.000 14.978) 21.715 1.694 ( -6.851 0.000 -11.061) 13.011 1.743 ( 16.421 0.000 19.320) 25.356 2.622 ( 7.526 0.000 -12.532) 14.618 2.894 ( 5.366 0.000 34.071) 34.491 4.071 ( -11.704 0.000 -0.840) 11.734 4.485 ( 16.205 0.000 -5.524) 17.121 4.869 ( 6.490 0.000 5.052) 8.224 5.045 ( 2.356 0.000 -6.397) 6.817 5.338 ( -3.390 0.000 3.519) 4.887 5.574 ( -5.238 0.000 -2.878) 5.977 6.345 ( -12.192 0.000 -8.858) 15.070 11.938 ( 15.469 0.000 13.919) 20.810 13.326 ( -24.624 0.000 0.244) 24.625 13.926 ( -34.508 0.000 -0.883) 34.519 14.180 ( -3.113 0.000 -13.908) 14.252 75.106 ( 1.645 0.000 -0.695) 1.786 75.242 ( 0.474 0.000 0.401) 0.621 ======================= Grid point 431 (201/354) ======================= q-point: ( 0.15 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.582 ( 1.469 0.000 -6.886) 7.041 1.817 ( 16.980 0.000 10.005) 19.708 2.113 ( 12.444 0.000 20.000) 23.555 2.791 ( 11.788 0.000 -14.254) 18.497 3.204 ( 14.649 0.000 21.429) 25.958 3.764 ( -16.878 0.000 2.870) 17.120 4.715 ( 8.877 0.000 -11.214) 14.303 5.005 ( 7.704 0.000 -15.164) 17.009 5.122 ( 4.262 0.000 11.995) 12.730 5.226 ( -8.700 0.000 1.612) 8.848 5.421 ( -8.988 0.000 -1.748) 9.156 6.111 ( -8.623 0.000 -2.361) 8.940 12.261 ( 13.158 0.000 -0.443) 13.165 12.718 ( -33.909 0.000 6.573) 34.540 12.927 ( -60.822 0.000 -5.911) 61.108 14.208 ( 8.569 0.000 0.351) 8.576 75.144 ( 2.349 0.000 -0.565) 2.416 75.263 ( 1.566 0.000 0.155) 1.573 ======================= Grid point 432 (202/354) ======================= q-point: ( 0.23 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.703 ( 11.878 0.000 -2.412) 12.120 2.194 ( 17.367 0.000 5.941) 18.355 2.356 ( 3.431 0.000 21.157) 21.433 2.870 ( -1.597 0.000 -18.306) 18.375 3.403 ( 0.593 0.000 0.276) 0.654 3.738 ( 15.690 0.000 16.771) 22.966 4.770 ( 1.666 0.000 -16.959) 17.040 5.002 ( -13.335 0.000 -0.069) 13.335 5.088 ( 5.269 0.000 -14.607) 15.528 5.200 ( -12.462 0.000 -0.759) 12.485 5.240 ( 2.401 0.000 13.491) 13.703 5.975 ( -4.616 0.000 -0.871) 4.698 11.538 ( -70.238 0.000 -9.177) 70.835 12.127 ( -25.650 0.000 15.604) 30.023 12.456 ( 8.899 0.000 -14.071) 16.649 14.512 ( 17.798 0.000 14.358) 22.868 75.198 ( 3.088 0.000 0.108) 3.090 75.309 ( 2.946 0.000 -0.288) 2.960 ======================= Grid point 433 (203/354) ======================= q-point: ( 0.31 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.014 ( 17.963 0.000 1.684) 18.042 2.324 ( -9.419 0.000 10.263) 13.930 2.558 ( 17.411 0.000 1.404) 17.468 2.801 ( 2.680 0.000 -3.047) 4.058 3.507 ( 8.325 0.000 -6.657) 10.660 4.140 ( 16.512 0.000 8.792) 18.707 4.677 ( -3.861 0.000 -20.095) 20.463 4.702 ( -15.804 0.000 -0.484) 15.812 4.912 ( -15.597 0.000 -0.703) 15.613 5.111 ( 1.063 0.000 -6.922) 7.003 5.313 ( 1.272 0.000 8.093) 8.192 5.902 ( -2.639 0.000 -1.366) 2.972 10.169 ( -58.613 0.000 -9.090) 59.314 11.859 ( -7.496 0.000 25.999) 27.058 12.544 ( 5.831 0.000 -19.265) 20.128 14.968 ( 20.032 0.000 20.252) 28.485 75.267 ( 3.529 0.000 0.850) 3.630 75.376 ( 3.731 0.000 -0.727) 3.801 ======================= Grid point 434 (204/354) ======================= q-point: ( 0.38 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.247 ( -0.463 0.000 8.068) 8.081 2.394 ( 17.282 0.000 4.358) 17.823 2.875 ( 3.287 0.000 1.425) 3.582 2.899 ( 15.962 0.000 -2.545) 16.164 3.639 ( 8.107 0.000 -13.521) 15.766 4.335 ( -0.392 0.000 -9.663) 9.671 4.384 ( -14.712 0.000 -0.042) 14.712 4.579 ( -16.347 0.000 -1.030) 16.380 4.599 ( 4.188 0.000 -6.542) 7.768 5.104 ( 0.335 0.000 -1.111) 1.160 5.349 ( 0.472 0.000 3.828) 3.857 5.851 ( -2.319 0.000 -0.212) 2.328 9.199 ( -33.705 0.000 -5.956) 34.227 11.971 ( 7.079 0.000 31.891) 32.668 12.562 ( 2.228 0.000 -18.536) 18.669 15.417 ( 16.719 0.000 20.118) 26.158 75.339 ( 3.003 0.000 1.340) 3.288 75.445 ( 3.155 0.000 -0.996) 3.309 ======================= Grid point 435 (205/354) ======================= q-point: ( 0.46 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.264 ( -3.135 0.000 8.918) 9.453 2.683 ( 7.875 0.000 6.206) 10.027 2.932 ( 1.994 0.000 0.899) 2.187 3.140 ( 6.928 0.000 -5.347) 8.752 3.754 ( 8.463 0.000 -17.851) 19.755 4.156 ( -6.110 0.000 0.831) 6.167 4.217 ( -5.157 0.000 -11.666) 12.755 4.297 ( -8.969 0.000 -1.456) 9.086 4.632 ( -1.622 0.000 -2.053) 2.617 5.165 ( 6.680 0.000 -3.557) 7.569 5.365 ( -0.778 0.000 6.668) 6.713 5.796 ( -3.497 0.000 1.825) 3.944 8.770 ( -7.481 0.000 -4.116) 8.539 12.281 ( 11.067 0.000 30.459) 32.407 12.501 ( -2.819 0.000 -15.095) 15.356 15.756 ( 10.144 0.000 16.844) 19.663 75.390 ( 1.336 0.000 1.554) 2.049 75.487 ( 1.161 0.000 -1.134) 1.623 ======================= Grid point 436 (206/354) ======================= q-point: (-0.46 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.195 ( -3.866 0.000 7.249) 8.216 2.719 ( -5.936 0.000 7.095) 9.251 2.938 ( -2.773 0.000 3.219) 4.249 3.054 ( -13.396 0.000 -5.156) 14.354 3.800 ( -1.045 0.000 -19.187) 19.215 4.066 ( -5.524 0.000 -1.085) 5.630 4.210 ( 10.914 0.000 0.320) 10.919 4.268 ( 6.174 0.000 -1.509) 6.356 4.585 ( 0.159 0.000 -9.147) 9.149 5.289 ( 5.094 0.000 -7.069) 8.713 5.356 ( -3.471 0.000 12.469) 12.944 5.742 ( -0.737 0.000 1.515) 1.685 8.838 ( 14.899 0.000 -4.392) 15.532 12.342 ( -8.497 0.000 -10.410) 13.437 12.563 ( 6.987 0.000 22.492) 23.553 15.931 ( 2.231 0.000 11.823) 12.031 75.400 ( -0.925 0.000 1.595) 1.844 75.481 ( -1.390 0.000 -1.247) 1.867 ======================= Grid point 437 (207/354) ======================= q-point: (-0.38 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.262 ( 8.013 0.000 9.923) 12.754 2.552 ( -12.175 0.000 6.130) 13.631 2.657 ( -21.433 0.000 -2.639) 21.595 2.840 ( -6.448 0.000 -0.739) 6.490 3.569 ( -14.024 0.000 -2.889) 14.319 4.001 ( -2.891 0.000 -4.551) 5.391 4.465 ( 12.666 0.000 -1.883) 12.805 4.524 ( 17.786 0.000 0.291) 17.788 4.568 ( 1.417 0.000 -14.777) 14.845 5.260 ( -4.987 0.000 -4.500) 6.717 5.303 ( -6.497 0.000 15.538) 16.842 5.853 ( 11.862 0.000 -4.291) 12.614 9.321 ( 34.302 0.000 -4.952) 34.657 12.093 ( -13.209 0.000 -4.994) 14.121 12.710 ( 2.424 0.000 11.131) 11.392 15.928 ( -5.313 0.000 5.724) 7.810 75.364 ( -3.071 0.000 1.413) 3.381 75.429 ( -3.038 0.000 -1.247) 3.284 ======================= Grid point 438 (208/354) ======================= q-point: (-0.31 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.123 ( -25.638 0.000 -1.915) 25.710 2.354 ( -11.120 0.000 14.826) 18.533 2.407 ( -7.952 0.000 5.886) 9.893 2.834 ( 10.403 0.000 -6.627) 12.335 3.336 ( -8.158 0.000 13.958) 16.167 3.862 ( -8.758 0.000 -8.656) 12.314 4.515 ( -2.128 0.000 -13.703) 13.867 4.721 ( 12.511 0.000 -0.800) 12.537 4.890 ( 17.689 0.000 -0.338) 17.692 5.137 ( -4.136 0.000 -5.031) 6.513 5.203 ( -8.512 0.000 15.572) 17.746 6.135 ( 16.959 0.000 -8.335) 18.896 10.199 ( 54.076 0.000 -4.380) 54.253 11.793 ( -15.197 0.000 1.045) 15.233 12.782 ( 4.172 0.000 0.310) 4.183 15.766 ( -11.237 0.000 -1.013) 11.283 75.290 ( -4.394 0.000 0.693) 4.449 75.362 ( -3.039 0.000 -0.749) 3.130 ======================= Grid point 439 (209/354) ======================= q-point: (-0.23 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.601 ( -24.892 0.000 0.513) 24.897 2.032 ( -21.043 0.000 9.266) 22.993 2.303 ( -4.319 0.000 2.933) 5.220 2.901 ( -8.240 0.000 24.569) 25.914 3.414 ( 7.030 0.000 1.323) 7.153 3.611 ( -10.186 0.000 -8.767) 13.439 4.407 ( -4.050 0.000 -7.568) 8.583 4.953 ( 10.285 0.000 0.721) 10.310 5.052 ( -7.432 0.000 8.369) 11.193 5.093 ( -2.293 0.000 -2.475) 3.374 5.219 ( 14.688 0.000 -0.967) 14.719 6.445 ( 16.232 0.000 -11.479) 19.881 11.444 ( 68.101 0.000 -2.427) 68.144 11.514 ( -13.026 0.000 7.618) 15.090 12.933 ( 12.612 0.000 -6.673) 14.269 15.482 ( -14.970 0.000 -7.926) 16.939 75.203 ( -4.077 0.000 0.064) 4.078 75.305 ( -2.345 0.000 -0.267) 2.361 ======================= Grid point 440 (210/354) ======================= q-point: (-0.15 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.157 ( -18.756 0.000 5.864) 19.652 1.635 ( -20.951 0.000 14.269) 25.349 2.227 ( -3.985 0.000 -2.071) 4.491 2.795 ( -11.160 0.000 37.158) 38.798 3.203 ( -16.419 0.000 -10.365) 19.417 3.665 ( 7.496 0.000 -0.272) 7.501 4.327 ( -2.082 0.000 -1.932) 2.840 4.908 ( -9.765 0.000 15.886) 18.647 5.070 ( 1.607 0.000 -13.230) 13.327 5.139 ( 7.519 0.000 2.496) 7.922 5.468 ( 10.159 0.000 -1.788) 10.315 6.683 ( 11.173 0.000 -15.443) 19.061 11.349 ( -6.373 0.000 14.169) 15.536 12.805 ( 62.544 0.000 0.062) 62.544 13.243 ( 19.861 0.000 -9.108) 21.849 15.122 ( -16.416 0.000 -14.309) 21.777 75.132 ( -2.806 0.000 -0.156) 2.811 75.266 ( -1.480 0.000 0.053) 1.481 ======================= Grid point 441 (211/354) ======================= q-point: (-0.08 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.948 ( -3.875 0.000 13.812) 14.346 1.352 ( -10.919 0.000 21.475) 24.092 2.105 ( -6.772 0.000 -7.280) 9.943 2.728 ( -8.164 0.000 38.240) 39.102 2.851 ( -13.543 0.000 -9.121) 16.328 3.832 ( 9.861 0.000 3.608) 10.500 4.299 ( -0.814 0.000 -0.898) 1.212 4.790 ( -6.829 0.000 16.473) 17.832 5.056 ( 1.692 0.000 -14.851) 14.947 5.273 ( 4.584 0.000 3.900) 6.019 5.612 ( 4.815 0.000 -2.625) 5.484 6.762 ( 1.839 0.000 -19.283) 19.370 11.371 ( 3.051 0.000 19.187) 19.428 13.546 ( 13.827 0.000 -5.115) 14.743 13.877 ( 37.004 0.000 -0.858) 37.014 14.738 ( -15.409 0.000 -18.968) 24.438 75.091 ( -1.185 0.000 -0.103) 1.189 75.245 ( -0.716 0.000 0.335) 0.791 ======================= Grid point 442 (212/354) ======================= q-point: ( 0.00 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.293 ( 8.320 17.474 15.290) 24.664 1.489 ( 7.386 8.560 20.283) 23.221 2.088 ( -7.444 16.629 -10.655) 21.106 2.633 ( -3.828 1.180 -11.044) 11.748 2.823 ( -2.603 7.243 37.697) 38.475 4.057 ( 14.117 -4.679 1.889) 14.992 4.212 ( -3.992 -5.028 -0.600) 6.448 4.611 ( 1.115 -13.746 14.677) 20.140 4.991 ( 0.855 -4.738 -15.135) 15.882 5.175 ( -0.350 -11.165 -1.419) 11.260 5.687 ( -1.963 2.328 1.548) 3.416 6.757 ( -4.631 8.361 -16.420) 18.999 11.715 ( 10.451 11.554 17.228) 23.228 13.652 ( -1.326 1.804 -0.893) 2.410 14.148 ( -5.208 -7.038 -4.043) 9.644 14.556 ( -5.749 10.578 -12.377) 17.267 75.083 ( 0.453 -0.040 -0.277) 0.532 75.233 ( -0.121 -0.471 0.448) 0.661 ======================= Grid point 443 (213/354) ======================= q-point: ( 0.08 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.543 ( 11.993 10.417 15.919) 22.489 1.817 ( 12.097 8.205 14.249) 20.413 1.916 ( -2.189 18.873 -9.042) 21.042 2.637 ( 7.372 1.477 -10.731) 13.102 2.970 ( 5.882 7.783 31.674) 33.142 4.002 ( -12.185 -6.535 -0.260) 13.830 4.430 ( 16.960 -5.450 -4.149) 18.291 4.744 ( 7.226 -11.416 7.849) 15.625 4.972 ( 1.358 -7.927 -6.482) 10.329 5.151 ( -0.941 -9.997 -4.564) 11.030 5.604 ( -6.638 1.602 1.252) 6.942 6.545 ( -10.737 12.621 -9.972) 19.339 11.969 ( 7.872 3.374 9.926) 13.110 13.459 ( -18.250 12.528 4.001) 22.495 13.760 ( -29.774 -11.045 -2.293) 31.839 14.367 ( -7.636 13.042 -11.336) 18.892 75.103 ( 1.554 -0.196 -0.595) 1.675 75.238 ( 0.491 -0.444 0.383) 0.765 ======================= Grid point 444 (214/354) ======================= q-point: ( 0.15 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.745 ( 0.489 13.142 -7.430) 15.105 1.901 ( 12.972 8.424 11.358) 19.190 2.194 ( 12.501 7.835 16.830) 22.381 2.812 ( 12.046 2.337 -12.386) 17.435 3.277 ( 14.765 7.264 20.221) 26.070 3.707 ( -15.653 -5.204 2.352) 16.662 4.661 ( 7.083 -5.096 -11.835) 14.704 4.918 ( 8.588 -10.079 -5.410) 14.304 5.036 ( 4.165 -8.252 12.418) 15.481 5.109 ( -0.555 -5.216 -9.295) 10.673 5.433 ( -10.448 0.858 0.759) 10.510 6.290 ( -11.647 12.191 -3.809) 17.285 11.983 ( -10.990 -16.502 0.685) 19.839 12.785 ( -54.085 -6.782 -1.123) 54.520 13.168 ( -17.400 27.060 0.624) 32.177 14.327 ( 6.890 10.730 0.382) 12.757 75.141 ( 2.329 -0.277 -0.486) 2.395 75.259 ( 1.570 -0.427 0.140) 1.633 ======================= Grid point 445 (215/354) ======================= q-point: ( 0.23 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.771 ( 5.696 5.121 -8.591) 11.510 2.217 ( 12.251 3.102 12.728) 17.937 2.448 ( 6.610 8.649 15.640) 19.055 2.934 ( 2.714 6.195 -14.859) 16.325 3.441 ( -1.240 2.733 0.532) 3.048 3.732 ( 17.335 0.560 15.033) 22.952 4.655 ( -1.960 -8.656 -14.712) 17.182 4.993 ( -3.247 -2.953 -3.483) 5.603 5.081 ( 3.302 -0.979 -11.335) 11.846 5.146 ( -4.503 -6.057 12.790) 14.851 5.236 ( -2.518 0.932 -1.473) 3.062 6.060 ( -9.953 6.904 -1.185) 12.171 11.359 ( -58.448 -16.833 -7.448) 61.278 11.775 ( -28.577 -16.651 11.754) 35.101 12.978 ( -1.932 33.159 -12.978) 35.661 14.612 ( 17.027 9.257 14.286) 24.077 75.195 ( 3.115 -0.258 0.105) 3.127 75.304 ( 2.935 -0.436 -0.284) 2.980 ======================= Grid point 446 (216/354) ======================= q-point: ( 0.31 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.895 ( 8.836 -8.595 -7.422) 14.389 2.404 ( 0.214 1.298 15.931) 15.985 2.603 ( 9.160 11.883 2.504) 15.212 2.981 ( 8.323 12.699 -2.846) 15.448 3.530 ( 7.861 1.968 -5.831) 9.983 4.119 ( 14.849 -1.537 7.517) 16.715 4.517 ( -6.033 -8.139 -13.884) 17.188 4.764 ( -15.462 -0.118 -4.215) 16.026 4.980 ( -8.597 4.045 1.424) 9.607 5.115 ( 1.164 0.567 -8.039) 8.142 5.293 ( 2.192 -1.475 5.046) 5.696 5.893 ( -6.031 -0.588 -0.974) 6.137 10.102 ( -55.605 -6.283 -6.980) 56.393 11.497 ( -7.440 -25.696 22.235) 34.786 12.933 ( 1.903 28.451 -18.174) 33.814 15.045 ( 18.921 7.189 18.691) 27.551 75.265 ( 3.565 -0.210 0.787) 3.657 75.371 ( 3.720 -0.454 -0.710) 3.814 ======================= Grid point 447 (217/354) ======================= q-point: ( 0.38 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.100 ( 12.710 -8.852 -1.016) 15.522 2.441 ( -0.032 -4.278 8.095) 9.156 2.819 ( 9.958 11.828 2.726) 15.701 3.199 ( 12.088 14.416 -0.733) 18.827 3.659 ( 7.745 1.909 -12.260) 14.627 4.240 ( -7.624 -8.003 -0.637) 11.071 4.371 ( -4.895 -6.961 -7.991) 11.674 4.464 ( -9.083 4.700 -5.571) 11.646 4.834 ( -3.519 11.341 -0.081) 11.874 5.107 ( 0.463 0.235 -2.230) 2.289 5.330 ( 0.406 -1.566 2.451) 2.937 5.801 ( -3.346 -4.668 0.039) 5.743 9.186 ( -31.947 -1.175 -4.074) 32.227 11.583 ( 5.991 -28.438 26.928) 39.620 12.911 ( 1.282 24.914 -15.595) 29.421 15.462 ( 15.414 4.100 17.445) 23.637 75.337 ( 3.028 -0.177 1.258) 3.283 75.441 ( 3.148 -0.466 -0.986) 3.331 ======================= Grid point 448 (218/354) ======================= q-point: ( 0.46 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.233 ( -5.347 -2.118 9.526) 11.127 2.534 ( 10.570 -15.295 -3.712) 18.959 2.976 ( 2.843 13.728 4.644) 14.769 3.393 ( 4.490 13.890 -1.090) 14.638 3.746 ( 3.702 -0.913 -14.687) 15.174 4.015 ( -8.092 -11.059 0.554) 13.714 4.262 ( -1.542 0.498 -4.273) 4.570 4.319 ( -2.344 7.185 -11.148) 13.468 4.785 ( -4.211 11.236 0.908) 12.034 5.169 ( 6.972 0.445 -3.833) 7.969 5.336 ( -1.060 -2.570 5.208) 5.904 5.737 ( -3.680 -5.736 1.830) 7.056 8.786 ( -6.970 1.511 -2.565) 7.579 11.835 ( 8.370 -28.961 22.153) 37.411 12.872 ( -1.063 22.075 -7.962) 23.491 15.765 ( 8.902 0.668 13.770) 16.411 75.388 ( 1.341 -0.175 1.475) 2.001 75.482 ( 1.158 -0.474 -1.133) 1.687 ======================= Grid point 449 (219/354) ======================= q-point: (-0.46 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.088 ( -7.352 -10.408 4.710) 13.585 2.685 ( 2.044 -7.403 1.071) 7.755 2.930 ( -8.606 14.044 4.885) 17.180 3.259 ( -15.765 6.655 3.640) 17.495 3.708 ( -1.679 -5.540 -13.899) 15.056 3.996 ( 2.467 -3.566 -2.621) 5.067 4.316 ( 6.473 3.985 -3.648) 8.431 4.349 ( 10.120 10.134 -7.636) 16.230 4.693 ( -3.095 9.345 -3.130) 10.330 5.292 ( 4.415 0.135 -8.537) 9.612 5.321 ( -3.106 -2.971 13.004) 13.696 5.681 ( -0.578 -5.797 1.249) 5.958 8.860 ( 14.617 2.084 -3.092) 15.085 11.995 ( 0.965 -24.588 9.181) 26.264 12.823 ( -2.640 16.353 2.435) 16.743 15.908 ( 1.317 -2.375 9.141) 9.536 75.398 ( -0.944 -0.215 1.521) 1.803 75.476 ( -1.389 -0.476 -1.241) 1.922 ======================= Grid point 450 (220/354) ======================= q-point: (-0.38 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.060 ( 2.543 -18.520 0.172) 18.695 2.562 ( -14.173 -0.081 4.697) 14.932 2.738 ( -9.509 16.295 4.422) 19.378 2.983 ( -10.311 1.819 7.549) 12.908 3.542 ( -10.230 1.465 -7.727) 12.903 3.997 ( -2.596 -0.173 -3.076) 4.028 4.494 ( 10.907 1.467 -1.481) 11.104 4.544 ( 6.705 3.610 -13.509) 15.508 4.706 ( 8.788 10.879 -1.621) 14.078 5.254 ( -3.986 -1.786 -0.305) 4.379 5.280 ( -6.054 -0.828 10.700) 12.322 5.791 ( 11.383 -5.932 -4.482) 13.596 9.339 ( 33.813 1.644 -4.086) 34.099 11.934 ( -7.604 -15.056 -0.088) 16.867 12.785 ( -2.491 7.221 6.189) 9.831 15.885 ( -5.656 -4.303 4.206) 8.258 75.361 ( -3.094 -0.287 1.334) 3.382 75.424 ( -3.043 -0.468 -1.213) 3.309 ======================= Grid point 451 (221/354) ======================= q-point: (-0.31 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.896 ( -19.726 -17.849 -5.193) 27.104 2.402 ( -7.736 4.130 16.175) 18.399 2.582 ( -7.171 17.014 3.518) 18.796 2.970 ( 9.874 2.300 -0.188) 10.140 3.299 ( -12.708 3.070 8.754) 15.733 3.855 ( -9.643 -0.208 -6.062) 11.392 4.501 ( -2.908 -0.919 -13.040) 13.391 4.721 ( 9.776 -0.502 -0.269) 9.793 4.933 ( 8.805 2.469 -2.547) 9.493 5.186 ( -3.472 3.234 1.952) 5.130 5.213 ( 0.015 2.971 8.601) 9.100 6.062 ( 16.655 -7.016 -7.948) 19.743 10.206 ( 53.305 0.695 -4.313) 53.484 11.736 ( -10.979 -6.055 0.819) 12.565 12.782 ( 1.950 0.836 0.891) 2.301 15.720 ( -10.903 -4.568 -0.885) 11.854 75.286 ( -4.376 -0.315 0.640) 4.434 75.357 ( -3.073 -0.494 -0.707) 3.192 ======================= Grid point 452 (222/354) ======================= q-point: (-0.23 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.437 ( -21.954 -11.477 0.741) 24.784 2.179 ( -17.749 9.993 12.697) 24.002 2.475 ( -4.505 16.155 0.923) 16.797 3.042 ( -12.197 12.501 20.880) 27.222 3.324 ( 13.859 -8.665 1.514) 16.415 3.585 ( -13.544 -1.480 -7.676) 15.639 4.379 ( -4.737 -2.424 -7.161) 8.922 4.839 ( -0.756 -7.584 5.326) 9.298 4.996 ( 2.572 -4.861 -6.390) 8.431 5.136 ( -1.193 4.764 2.211) 5.386 5.372 ( 10.060 9.339 2.420) 13.938 6.381 ( 17.318 -6.032 -10.466) 21.115 11.384 ( 45.741 -3.399 -5.103) 46.150 11.583 ( 11.923 3.941 9.034) 15.469 12.910 ( 12.058 -1.667 -5.490) 13.354 15.452 ( -13.998 -3.018 -6.122) 15.573 75.200 ( -4.028 -0.253 0.058) 4.036 75.299 ( -2.370 -0.547 -0.235) 2.444 ======================= Grid point 453 (223/354) ======================= q-point: (-0.15 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.095 ( -11.846 -2.248 10.079) 15.715 1.827 ( -20.070 14.669 12.419) 27.789 2.386 ( -4.467 14.680 -2.996) 15.635 2.880 ( -11.992 8.070 33.375) 36.370 3.202 ( -16.438 0.012 -9.649) 19.061 3.613 ( 9.605 -4.835 0.552) 10.768 4.290 ( -2.328 -3.491 -1.627) 4.500 4.750 ( -8.798 -11.899 12.210) 19.185 5.033 ( 3.496 -2.411 -14.985) 15.575 5.147 ( 1.138 -0.937 1.373) 2.014 5.560 ( 7.283 6.277 2.168) 9.856 6.660 ( 13.588 -2.609 -13.784) 19.530 11.418 ( -2.828 6.667 12.223) 14.208 12.782 ( 60.493 -2.251 0.454) 60.536 13.224 ( 20.542 -1.342 -8.086) 22.117 15.127 ( -14.841 0.202 -11.154) 18.566 75.131 ( -2.735 -0.131 -0.144) 2.742 75.260 ( -1.469 -0.553 0.074) 1.571 ======================= Grid point 454 (224/354) ======================= q-point: (-0.08 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.073 ( 4.709 11.122 16.258) 20.253 1.513 ( -13.832 14.412 16.759) 26.075 2.260 ( -6.276 14.297 -7.221) 17.203 2.800 ( -7.771 7.078 36.752) 38.226 2.854 ( -13.441 0.478 -9.272) 16.336 3.798 ( 9.520 -3.015 3.143) 10.469 4.264 ( -0.691 -3.414 -0.586) 3.533 4.624 ( -7.102 -14.360 15.343) 22.182 5.026 ( 1.670 -1.661 -17.974) 18.128 5.172 ( 0.631 -8.507 1.126) 8.604 5.672 ( 2.898 3.680 1.885) 5.049 6.808 ( 5.615 2.380 -17.333) 18.374 11.490 ( 4.953 11.359 17.211) 21.208 13.521 ( 15.146 -2.230 -4.614) 15.989 13.842 ( 34.664 -2.832 -0.802) 34.789 14.795 ( -12.892 4.922 -14.863) 20.281 75.091 ( -1.144 -0.008 -0.120) 1.150 75.240 ( -0.690 -0.510 0.332) 0.919 ======================= Grid point 455 (225/354) ======================= q-point: ( 0.00 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.675 ( 7.381 18.078 14.386) 24.254 1.728 ( 3.244 14.567 15.551) 21.554 2.521 ( -3.013 24.311 -10.304) 26.576 2.672 ( -4.985 3.133 -7.283) 9.366 3.047 ( 0.333 13.935 30.689) 33.706 3.949 ( 12.314 -5.310 2.487) 13.639 4.048 ( -10.161 -11.062 1.763) 15.123 4.303 ( 5.532 -14.478 9.222) 18.035 4.832 ( -4.146 -8.741 -6.792) 11.820 5.059 ( 3.001 -1.360 -15.689) 16.031 5.674 ( -3.284 -4.288 5.696) 7.850 6.811 ( -0.738 -4.187 -13.574) 14.224 12.030 ( 7.397 18.533 11.129) 22.848 13.699 ( 4.673 1.641 3.195) 5.894 14.044 ( -6.406 -1.847 -0.677) 6.701 14.767 ( -3.507 9.569 -7.747) 12.802 75.084 ( 0.310 0.079 -0.261) 0.413 75.219 ( -0.070 -0.891 0.397) 0.978 ======================= Grid point 456 (226/354) ======================= q-point: ( 0.08 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.792 ( 6.664 13.327 15.780) 21.704 2.026 ( 11.584 11.689 13.978) 21.592 2.379 ( -5.056 23.424 -13.063) 27.293 2.700 ( 8.621 6.062 -6.478) 12.370 3.214 ( 6.594 15.733 26.156) 31.227 3.824 ( -11.688 -10.213 0.883) 15.546 4.268 ( 17.239 -9.859 -0.336) 19.862 4.482 ( 8.268 -13.019 5.363) 16.328 4.760 ( -0.965 -9.895 -1.899) 10.121 5.059 ( 2.596 -1.354 -16.385) 16.645 5.588 ( -7.064 -3.719 4.970) 9.403 6.676 ( -7.954 -1.108 -9.765) 12.643 12.087 ( -6.830 8.249 3.559) 11.285 13.538 ( -32.987 -10.397 -1.981) 34.644 13.798 ( -4.221 19.622 11.446) 23.105 14.637 ( -5.703 13.022 -9.519) 17.109 75.100 ( 1.347 -0.109 -0.432) 1.419 75.225 ( 0.534 -0.845 0.324) 1.051 ======================= Grid point 457 (227/354) ======================= q-point: ( 0.15 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.986 ( 3.096 10.238 1.189) 10.762 2.136 ( 1.327 12.249 6.926) 14.134 2.427 ( 10.617 14.288 7.013) 19.133 2.912 ( 13.326 8.453 -6.595) 17.104 3.477 ( 9.319 8.055 16.679) 20.734 3.599 ( -7.792 -0.779 1.335) 7.944 4.526 ( 5.005 -7.794 -12.246) 15.355 4.660 ( 11.657 -13.158 0.821) 17.598 4.825 ( 5.260 -11.644 12.517) 17.886 5.059 ( 3.089 -0.944 -16.103) 16.424 5.427 ( -9.730 -1.803 2.636) 10.240 6.449 ( -11.640 1.773 -4.747) 12.695 11.728 ( -28.480 -8.013 0.642) 29.593 12.596 ( -55.690 -10.435 -0.760) 56.665 13.766 ( -3.506 29.977 -0.047) 30.182 14.595 ( 5.617 14.611 0.878) 15.678 75.135 ( 2.255 -0.257 -0.352) 2.297 75.246 ( 1.586 -0.816 0.093) 1.786 ======================= Grid point 458 (228/354) ======================= q-point: ( 0.23 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.861 ( -5.982 3.825 -17.438) 18.828 2.326 ( 6.728 7.382 19.184) 21.628 2.679 ( 10.404 12.553 10.314) 19.292 3.120 ( 7.764 12.174 -8.230) 16.620 3.441 ( -0.017 -3.462 3.004) 4.583 3.835 ( 15.174 10.057 8.347) 20.027 4.486 ( -1.952 -7.488 -14.900) 16.789 4.855 ( 3.659 -10.351 -3.049) 11.394 4.944 ( -0.506 -11.014 17.956) 21.071 5.083 ( 4.498 -0.370 -13.723) 14.446 5.266 ( -3.463 1.438 -2.297) 4.398 6.179 ( -13.950 3.152 -1.696) 14.402 10.983 ( -46.899 -17.149 0.322) 49.937 11.495 ( -45.273 -12.422 8.019) 47.627 13.660 ( -2.732 33.118 -18.896) 38.227 14.852 ( 15.261 13.437 13.085) 24.180 75.189 ( 3.156 -0.286 0.072) 3.170 75.291 ( 2.917 -0.817 -0.280) 3.042 ======================= Grid point 459 (229/354) ======================= q-point: ( 0.31 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.746 ( 3.146 -4.602 -17.162) 18.045 2.452 ( -1.506 4.966 18.930) 19.628 2.913 ( 10.373 14.618 4.942) 18.594 3.236 ( 8.138 12.110 -0.982) 14.623 3.552 ( 8.245 -0.859 -5.421) 9.904 4.119 ( 8.000 2.219 4.458) 9.423 4.379 ( -2.875 -5.140 -14.410) 15.567 4.709 ( -12.067 -4.898 2.932) 13.349 4.986 ( 0.452 -3.428 4.272) 5.496 5.128 ( 2.647 0.278 -9.246) 9.621 5.284 ( 2.824 0.873 -0.749) 3.050 5.890 ( -13.255 0.245 -0.677) 13.275 9.939 ( -48.719 -8.943 -1.305) 49.550 10.972 ( -14.558 -24.827 21.566) 35.964 13.549 ( -0.885 31.129 -24.154) 39.411 15.227 ( 15.972 9.756 13.797) 23.252 75.260 ( 3.641 -0.254 0.609) 3.700 75.358 ( 3.697 -0.833 -0.669) 3.848 ======================= Grid point 460 (230/354) ======================= q-point: ( 0.38 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.930 ( 18.787 -6.740 -11.629) 23.100 2.388 ( -10.238 1.440 14.317) 17.660 3.138 ( 10.182 14.868 2.669) 18.217 3.436 ( 10.405 9.230 -0.817) 13.933 3.692 ( 8.516 -0.528 -10.674) 13.666 4.047 ( -15.528 -8.792 4.390) 18.377 4.299 ( -0.700 -0.571 -10.267) 10.307 4.577 ( -2.169 5.856 -1.942) 6.540 5.012 ( 1.641 4.859 3.436) 6.173 5.115 ( -0.429 0.752 -5.370) 5.440 5.312 ( -0.062 0.769 -1.024) 1.282 5.680 ( -7.076 -6.471 0.236) 9.591 9.155 ( -27.625 -1.696 0.782) 27.688 10.960 ( 2.924 -31.680 27.891) 42.309 13.452 ( -1.197 27.815 -21.768) 35.341 15.557 ( 11.999 4.494 10.216) 16.387 75.333 ( 3.087 -0.225 1.021) 3.260 75.427 ( 3.131 -0.842 -0.945) 3.377 ======================= Grid point 461 (231/354) ======================= q-point: ( 0.46 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.129 ( -14.414 -9.637 3.466) 17.682 2.338 ( 17.298 -0.220 0.482) 17.306 3.305 ( 4.161 15.199 2.404) 15.940 3.589 ( 1.753 5.043 -2.354) 5.835 3.666 ( -17.191 -9.417 -0.746) 19.616 3.835 ( 7.623 -2.859 -6.895) 10.669 4.313 ( 4.977 4.692 -5.329) 8.671 4.519 ( -0.678 11.497 -5.745) 12.871 4.992 ( -4.890 7.373 1.871) 9.043 5.187 ( 8.039 1.355 -1.685) 8.325 5.285 ( -1.889 -1.036 -0.935) 2.348 5.577 ( -4.361 -9.441 1.528) 10.511 8.827 ( -5.675 2.465 1.636) 6.400 11.190 ( 8.536 -33.837 26.223) 43.652 13.339 ( -3.906 24.057 -15.529) 28.899 15.766 ( 5.726 -1.068 5.876) 8.274 75.384 ( 1.352 -0.237 1.237) 1.847 75.469 ( 1.148 -0.846 -1.104) 1.804 ======================= Grid point 462 (232/354) ======================= q-point: (-0.46 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.816 ( -14.437 -14.276 1.426) 20.353 2.619 ( 7.468 0.503 5.735) 9.430 3.192 ( -23.829 -9.586 5.961) 26.368 3.288 ( -5.729 17.275 1.218) 18.241 3.685 ( 3.779 1.218 -10.771) 11.479 3.950 ( 5.334 -0.855 -2.282) 5.865 4.416 ( 5.989 6.205 -5.335) 10.141 4.586 ( 8.605 12.484 -6.868) 16.645 4.892 ( -3.877 8.518 -0.007) 9.359 5.231 ( -3.943 -4.135 5.765) 8.116 5.322 ( 3.447 1.873 -3.444) 5.221 5.519 ( 0.305 -9.573 -0.033) 9.578 8.918 ( 13.827 3.413 0.605) 14.255 11.416 ( 5.391 -31.708 17.438) 36.586 13.184 ( -7.459 19.454 -7.611) 22.182 15.827 ( -1.008 -5.868 2.335) 6.395 75.392 ( -0.992 -0.314 1.290) 1.658 75.462 ( -1.387 -0.837 -1.195) 2.013 ======================= Grid point 463 (233/354) ======================= q-point: (-0.38 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.635 ( -2.979 -21.080 -4.262) 21.712 2.639 ( -8.879 6.443 8.281) 13.745 2.817 ( -12.471 -13.841 14.354) 23.519 3.148 ( -7.147 20.922 0.275) 22.111 3.656 ( -2.811 6.014 -10.062) 12.055 4.011 ( -0.586 2.001 -0.779) 2.225 4.524 ( 5.181 2.065 -2.944) 6.306 4.660 ( 0.819 7.302 -10.510) 12.824 4.918 ( 5.450 7.790 -2.265) 9.773 5.184 ( -2.038 -3.163 11.405) 12.010 5.298 ( -1.747 1.690 -1.650) 2.938 5.626 ( 9.652 -9.536 -5.189) 14.527 9.384 ( 32.453 2.666 -1.431) 32.594 11.517 ( 0.978 -25.006 6.281) 25.801 12.999 ( -8.864 13.724 -0.664) 16.351 15.751 ( -6.608 -8.987 0.276) 11.158 75.353 ( -3.141 -0.429 1.099) 3.355 75.411 ( -3.061 -0.823 -1.106) 3.357 ======================= Grid point 464 (234/354) ======================= q-point: (-0.31 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.518 ( -10.120 -17.971 -7.179) 21.838 2.518 ( -5.993 6.890 14.311) 16.976 2.763 ( 3.077 -16.118 14.254) 21.735 3.016 ( -6.013 23.144 -0.082) 23.913 3.533 ( -6.153 12.364 -4.704) 14.590 3.884 ( -11.380 4.439 0.339) 12.220 4.486 ( -5.954 -0.589 -7.558) 9.640 4.702 ( 3.802 -0.821 -2.404) 4.572 4.934 ( -1.872 -2.288 -3.352) 4.469 5.231 ( -0.302 2.659 7.125) 7.611 5.348 ( 8.310 7.179 -0.857) 11.015 5.863 ( 16.072 -11.980 -6.602) 21.105 10.225 ( 51.390 1.164 -3.718) 51.537 11.533 ( 0.522 -13.786 0.414) 13.802 12.860 ( -3.857 7.588 2.063) 8.759 15.577 ( -10.180 -9.650 -0.671) 14.042 75.278 ( -4.308 -0.449 0.486) 4.359 75.343 ( -3.168 -0.875 -0.600) 3.341 ======================= Grid point 465 (235/354) ======================= q-point: (-0.23 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.246 ( -11.941 -6.056 0.799) 13.413 2.369 ( -13.274 9.090 16.889) 23.326 2.894 ( -4.963 22.356 -3.395) 23.151 3.005 ( 9.146 -16.041 10.594) 21.288 3.405 ( -4.456 14.017 2.483) 14.916 3.596 ( -15.792 5.178 0.891) 16.643 4.325 ( -6.802 -2.529 -4.812) 8.708 4.681 ( -6.551 -7.670 4.264) 10.951 4.924 ( 3.679 -2.326 -8.366) 9.431 5.203 ( -3.212 1.388 -1.455) 3.789 5.522 ( 7.031 4.704 2.914) 8.947 6.213 ( 19.708 -10.109 -7.522) 23.392 11.332 ( 45.503 -1.691 -9.910) 46.600 11.633 ( 20.869 0.498 9.082) 22.765 12.908 ( 9.154 2.704 -0.453) 9.556 15.349 ( -11.572 -7.414 -1.614) 13.838 75.194 ( -3.877 -0.316 0.018) 3.890 75.284 ( -2.439 -0.974 -0.163) 2.631 ======================= Grid point 466 (236/354) ======================= q-point: (-0.15 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.150 ( 1.414 7.806 11.795) 14.214 2.123 ( -15.944 13.656 14.322) 25.413 2.767 ( -6.005 21.049 -5.454) 22.559 3.039 ( -7.972 2.641 20.264) 21.935 3.218 ( -15.122 2.196 -7.074) 16.839 3.536 ( 8.237 1.430 7.461) 11.206 4.202 ( -4.052 -4.554 -1.196) 6.212 4.513 ( -11.054 -10.739 6.748) 16.824 4.987 ( 5.178 -1.927 -11.580) 12.830 5.100 ( -5.571 -3.254 -4.995) 8.159 5.637 ( 3.198 0.395 4.341) 5.406 6.559 ( 16.397 -7.729 -10.021) 20.713 11.606 ( 6.624 11.292 6.773) 14.741 12.713 ( 55.604 -4.428 -0.269) 55.780 13.222 ( 21.764 2.007 -2.330) 21.980 15.110 ( -10.895 -2.407 -3.434) 11.674 75.128 ( -2.545 -0.101 -0.142) 2.551 75.244 ( -1.449 -1.002 0.111) 1.765 ======================= Grid point 467 (237/354) ======================= q-point: (-0.08 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.355 ( 12.353 15.871 16.234) 25.846 1.854 ( -13.877 17.574 13.025) 25.905 2.626 ( -5.159 19.360 -7.863) 21.523 2.884 ( -12.592 3.995 -1.368) 13.281 2.997 ( -5.308 10.481 23.615) 26.376 3.733 ( 8.755 -2.498 4.169) 10.013 4.161 ( -0.330 -6.588 0.478) 6.614 4.309 ( -10.560 -14.633 9.325) 20.312 4.960 ( -5.830 -6.870 -6.896) 11.346 5.039 ( 4.113 -1.494 -13.978) 14.647 5.686 ( 0.087 -3.035 5.371) 6.170 6.778 ( 8.704 -6.255 -13.176) 16.985 11.803 ( 9.350 18.573 12.740) 24.386 13.465 ( 19.904 -3.256 -3.648) 20.496 13.796 ( 28.930 -0.730 1.807) 28.996 14.899 ( -7.933 4.349 -6.108) 10.915 75.091 ( -1.041 0.088 -0.159) 1.057 75.225 ( -0.626 -0.952 0.314) 1.182 ======================= Grid point 468 (238/354) ======================= q-point: ( 0.00 0.27 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.000 ( 10.652 14.711 15.177) 23.669 2.064 ( -4.408 17.565 10.304) 20.836 2.736 ( -1.600 4.452 -3.759) 6.042 3.042 ( -4.515 22.880 -9.853) 25.317 3.313 ( 9.237 10.362 20.769) 24.981 3.736 ( -4.826 -14.885 7.814) 17.490 3.947 ( -0.744 3.584 0.130) 3.663 4.054 ( 4.720 -10.171 4.855) 12.219 4.691 ( -3.909 -5.227 -9.276) 11.342 5.070 ( 2.464 2.268 -15.709) 16.062 5.513 ( -3.171 -11.175 6.906) 13.514 6.594 ( 0.065 -16.300 -10.344) 19.306 12.426 ( 3.509 19.574 5.439) 20.616 13.661 ( 1.951 -5.289 1.291) 5.783 14.128 ( 2.352 9.780 9.660) 13.946 14.922 ( -0.647 5.303 -1.484) 5.545 75.088 ( 0.205 0.363 -0.247) 0.485 75.198 ( 0.001 -1.213 0.305) 1.250 ======================= Grid point 469 (239/354) ======================= q-point: ( 0.08 0.27 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.068 ( 2.641 13.650 12.419) 18.642 2.278 ( 9.218 13.052 13.963) 21.220 2.689 ( -2.476 8.136 -9.677) 12.883 2.987 ( 3.661 18.699 -5.471) 19.824 3.511 ( -0.590 4.883 12.229) 13.181 3.669 ( 1.747 2.799 8.655) 9.263 4.077 ( 12.592 -7.674 -0.157) 14.747 4.229 ( 9.011 -11.148 6.180) 15.610 4.605 ( -1.553 -5.546 -7.588) 9.526 5.060 ( 2.221 1.474 -15.725) 15.949 5.454 ( -5.037 -9.151 5.995) 12.044 6.504 ( -5.278 -14.848 -7.887) 17.622 12.292 ( -19.412 11.400 0.260) 22.514 13.336 ( -34.370 -9.537 -0.587) 35.673 14.219 ( 4.836 20.882 14.934) 26.125 14.877 ( -2.019 10.079 -5.995) 11.900 75.100 ( 1.136 0.224 -0.328) 1.203 75.204 ( 0.597 -1.161 0.220) 1.324 ======================= Grid point 470 (240/354) ======================= q-point: ( 0.15 0.27 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.179 ( 0.217 8.890 0.665) 8.917 2.365 ( -1.984 10.775 8.902) 14.117 2.700 ( 8.095 11.861 1.571) 14.446 3.142 ( 10.893 10.614 0.452) 15.215 3.433 ( -4.761 -1.630 0.248) 5.039 3.844 ( 8.759 14.190 10.026) 19.457 4.354 ( 9.630 -8.114 -6.934) 14.375 4.410 ( 9.524 -11.302 1.615) 14.868 4.603 ( 2.809 -9.043 5.490) 10.946 5.062 ( 3.268 1.466 -14.319) 14.761 5.354 ( -5.857 -5.338 2.946) 8.454 6.348 ( -7.922 -11.148 -4.042) 14.261 11.655 ( -41.631 0.317 0.835) 41.641 12.385 ( -56.075 -10.116 0.405) 56.982 14.345 ( 2.482 26.317 -1.538) 26.478 14.885 ( 6.020 13.236 1.431) 14.611 75.132 ( 2.129 0.059 -0.277) 2.148 75.226 ( 1.621 -1.120 0.014) 1.971 ======================= Grid point 471 (241/354) ======================= q-point: ( 0.23 0.27 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.958 ( -11.626 6.512 -19.275) 23.433 2.502 ( 5.576 9.249 19.542) 22.328 2.904 ( 8.686 9.484 9.716) 16.118 3.337 ( 2.739 -5.690 0.200) 6.318 3.410 ( 7.933 14.997 -4.061) 17.445 4.050 ( 8.172 6.370 4.123) 11.152 4.369 ( 0.359 -1.927 -12.132) 12.290 4.599 ( 2.903 -13.813 3.297) 14.494 4.730 ( 6.069 -8.584 10.868) 15.120 5.098 ( 4.513 2.116 -12.086) 13.073 5.275 ( -1.072 -0.867 -1.305) 1.898 6.151 ( -11.000 -5.983 -1.557) 12.619 10.720 ( -49.550 -8.389 4.586) 50.464 11.250 ( -51.674 -11.668 6.265) 53.344 14.297 ( -1.674 29.067 -21.865) 36.411 15.118 ( 12.941 11.811 9.210) 19.793 75.185 ( 3.155 -0.028 -0.017) 3.155 75.272 ( 2.915 -1.102 -0.291) 3.130 ======================= Grid point 472 (242/354) ======================= q-point: ( 0.31 0.27 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.752 ( 0.838 5.736 -20.121) 20.939 2.609 ( -3.286 10.114 20.623) 23.204 3.118 ( 9.925 5.228 6.469) 12.950 3.382 ( 4.577 -2.443 -1.628) 5.438 3.580 ( 8.124 8.538 -7.776) 14.120 4.116 ( -4.417 -6.152 1.434) 7.707 4.349 ( -0.336 2.249 -5.645) 6.085 4.598 ( 0.414 -4.762 4.501) 6.565 4.887 ( 6.759 -4.307 3.137) 8.607 5.144 ( 3.229 2.064 -9.947) 10.660 5.306 ( 3.544 0.704 -1.850) 4.059 5.880 ( -15.149 -1.989 -0.935) 15.307 9.772 ( -42.600 -6.789 5.481) 43.484 10.511 ( -24.616 -20.311 18.643) 36.960 14.170 ( -2.075 29.439 -28.089) 40.742 15.405 ( 11.963 6.959 5.788) 15.001 75.257 ( 3.704 -0.047 0.349) 3.720 75.338 ( 3.682 -1.097 -0.610) 3.890 ======================= Grid point 473 (243/354) ======================= q-point: ( 0.38 0.27 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.888 ( 16.171 3.669 -15.228) 22.513 2.497 ( -12.913 8.648 16.810) 22.893 3.328 ( 8.666 3.803 1.605) 9.599 3.517 ( 8.178 -7.416 -2.995) 11.438 3.671 ( 3.040 5.590 -6.975) 9.441 3.903 ( -14.290 -7.175 3.367) 16.341 4.337 ( 2.500 3.635 -3.271) 5.492 4.673 ( 3.608 2.483 1.598) 4.663 5.044 ( 8.411 0.688 0.620) 8.462 5.139 ( -1.035 1.899 -7.493) 7.799 5.359 ( 1.495 2.375 -1.460) 3.163 5.576 ( -12.957 -3.058 -0.726) 13.333 9.126 ( -22.756 -0.881 6.927) 23.803 10.336 ( -2.526 -28.886 27.056) 39.659 14.024 ( -3.149 28.043 -27.182) 39.181 15.617 ( 7.560 0.766 0.291) 7.605 75.330 ( 3.146 -0.055 0.665) 3.216 75.407 ( 3.118 -1.087 -0.853) 3.411 ======================= Grid point 474 (244/354) ======================= q-point: ( 0.46 0.27 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.986 ( -12.808 -2.239 -0.813) 13.028 2.428 ( 9.292 7.369 5.728) 13.170 3.378 ( -16.431 -12.265 6.917) 21.639 3.516 ( 4.400 1.229 -4.559) 6.454 3.694 ( 0.603 5.589 -7.637) 9.483 3.808 ( 5.864 -2.729 -2.858) 7.071 4.440 ( 7.347 6.799 0.391) 10.018 4.728 ( 2.313 7.279 0.273) 7.642 5.060 ( -3.949 1.277 -4.497) 6.120 5.207 ( 5.647 1.173 0.244) 5.772 5.349 ( -0.368 5.449 -3.870) 6.694 5.392 ( -5.608 -7.271 0.223) 9.185 8.885 ( -4.059 3.343 7.397) 9.075 10.499 ( 7.141 -33.191 27.736) 43.840 13.847 ( -6.248 25.690 -22.145) 34.488 15.705 ( 1.728 -5.353 -4.136) 6.982 75.380 ( 1.355 -0.102 0.856) 1.606 75.449 ( 1.145 -1.064 -1.001) 1.856 ======================= Grid point 475 (245/354) ======================= q-point: (-0.46 0.27 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.591 ( -21.506 -6.276 3.253) 22.638 2.638 ( 2.828 -1.823 10.941) 11.446 2.988 ( -19.012 -6.225 5.186) 20.667 3.586 ( -0.382 10.203 -5.929) 11.807 3.675 ( 3.874 -1.856 -9.406) 10.341 3.941 ( 6.347 -1.160 1.125) 6.549 4.570 ( 4.137 8.096 -0.248) 9.095 4.807 ( 4.775 7.801 -0.856) 9.186 4.986 ( -0.814 1.135 -3.945) 4.185 5.194 ( -4.382 0.603 0.835) 4.502 5.298 ( -3.739 -6.400 -0.613) 7.437 5.410 ( 5.352 2.559 -3.944) 7.124 8.997 ( 12.748 4.535 6.015) 14.807 10.747 ( 8.215 -32.993 21.205) 40.071 13.615 ( -10.468 22.766 -14.704) 29.053 15.662 ( -3.971 -10.507 -6.035) 12.751 75.386 ( -1.054 -0.215 0.910) 1.409 75.443 ( -1.380 -1.023 -1.062) 2.019 ======================= Grid point 476 (246/354) ======================= q-point: (-0.38 0.27 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.272 ( -8.314 -13.026 -0.236) 15.455 2.488 ( -15.882 -17.333 16.289) 28.601 2.808 ( -5.030 9.649 9.907) 14.716 3.525 ( -2.258 14.659 -6.528) 16.205 3.705 ( 0.266 -0.937 -6.114) 6.191 4.062 ( 3.925 1.507 1.252) 4.387 4.599 ( -1.543 5.741 0.528) 5.968 4.808 ( -2.462 5.330 -6.042) 8.425 4.974 ( -3.626 0.689 -4.937) 6.164 5.181 ( 4.714 1.164 7.658) 9.068 5.284 ( 4.455 -4.859 -4.638) 8.060 5.482 ( 3.621 -1.953 -4.102) 5.810 9.446 ( 30.438 3.646 2.800) 30.783 10.968 ( 8.740 -27.803 10.209) 30.880 13.338 ( -12.695 19.462 -6.006) 24.000 15.517 ( -8.068 -14.049 -4.640) 16.852 75.345 ( -3.175 -0.345 0.739) 3.278 75.392 ( -3.097 -0.993 -0.925) 3.381 ======================= Grid point 477 (247/354) ======================= q-point: (-0.31 0.27 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.213 ( -0.127 -10.846 -3.872) 11.517 2.380 ( 1.990 -18.332 17.038) 25.106 2.713 ( -8.593 9.940 14.890) 19.858 3.444 ( -4.142 17.040 -5.114) 18.267 3.653 ( -3.170 0.624 -5.607) 6.471 4.047 ( -6.724 7.990 4.732) 11.464 4.490 ( -9.089 2.185 1.792) 9.518 4.725 ( -4.526 4.106 -6.806) 9.147 4.876 ( -1.478 -2.502 -4.269) 5.164 5.273 ( -0.737 0.459 1.118) 1.415 5.435 ( 9.381 -0.208 -4.787) 10.534 5.618 ( 13.768 -10.047 -0.871) 17.066 10.254 ( 48.887 1.726 -2.039) 48.960 11.205 ( 13.815 -17.500 0.483) 22.301 13.102 ( -8.729 16.094 2.513) 18.481 15.324 ( -9.634 -15.231 -0.572) 18.031 75.270 ( -4.179 -0.335 0.265) 4.201 75.322 ( -3.306 -1.065 -0.469) 3.504 ======================= Grid point 478 (248/354) ======================= q-point: (-0.23 0.27 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.216 ( 2.538 3.097 3.023) 5.017 2.555 ( -8.006 4.484 18.891) 21.002 2.637 ( 10.402 -13.061 9.779) 19.350 3.315 ( -6.785 14.950 -7.077) 17.878 3.529 ( -7.518 3.296 -4.332) 9.282 3.871 ( -11.305 14.656 10.295) 21.180 4.295 ( -9.666 0.373 1.144) 9.740 4.561 ( -9.621 -2.150 -1.030) 9.912 4.897 ( 4.381 -0.365 -8.388) 9.470 5.184 ( -6.028 -3.181 -5.244) 8.600 5.552 ( 2.886 -1.574 1.147) 3.482 5.987 ( 20.320 -11.910 -3.295) 23.783 11.312 ( 48.488 -0.328 -12.278) 50.019 11.595 ( 31.018 -4.021 4.178) 31.556 13.059 ( 3.984 12.537 7.909) 15.349 15.141 ( -8.654 -13.203 3.869) 16.254 75.189 ( -3.645 -0.145 -0.058) 3.648 75.261 ( -2.547 -1.203 -0.102) 2.818 ======================= Grid point 479 (249/354) ======================= q-point: (-0.15 0.27 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.382 ( 11.057 14.023 11.225) 21.093 2.393 ( -11.470 13.607 15.339) 23.495 2.885 ( 6.803 -13.707 9.978) 18.268 3.113 ( -9.362 7.946 -8.543) 14.959 3.351 ( -7.838 12.854 -3.948) 15.564 3.723 ( -6.495 11.880 15.457) 20.548 4.128 ( -7.018 -2.649 0.595) 7.525 4.343 ( -11.717 -3.762 0.540) 12.318 4.942 ( -0.236 -3.379 -6.178) 7.046 5.048 ( -1.679 -0.512 -12.037) 12.165 5.572 ( -1.329 -6.528 3.852) 7.696 6.342 ( 15.557 -13.392 -6.624) 21.570 11.849 ( 19.490 11.898 -1.160) 22.864 12.607 ( 51.408 -5.823 -3.189) 51.835 13.336 ( 20.000 9.721 9.228) 24.077 15.010 ( -5.874 -7.802 5.820) 11.369 75.128 ( -2.293 0.118 -0.161) 2.302 75.221 ( -1.449 -1.276 0.120) 1.935 ======================= Grid point 480 (250/354) ======================= q-point: (-0.08 0.27 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.691 ( 13.710 16.575 14.606) 26.000 2.206 ( -11.160 17.299 11.669) 23.663 2.842 ( -7.591 2.782 -3.650) 8.871 3.095 ( 5.429 1.848 12.808) 14.033 3.188 ( -6.513 18.470 -6.241) 20.555 3.722 ( 0.033 -0.002 15.429) 15.429 4.019 ( -3.778 -7.356 0.697) 8.299 4.109 ( -10.611 -1.543 0.480) 10.733 4.822 ( -5.955 -5.877 -7.856) 11.477 5.058 ( 3.869 2.769 -14.458) 15.220 5.546 ( -2.467 -10.398 5.821) 12.169 6.552 ( 7.776 -15.457 -9.644) 19.809 12.204 ( 14.335 19.930 6.908) 25.503 13.379 ( 25.462 -5.426 -3.882) 26.322 13.849 ( 22.647 6.449 9.197) 25.280 14.942 ( -2.493 -0.537 3.543) 4.365 75.095 ( -0.908 0.330 -0.186) 0.984 75.202 ( -0.560 -1.262 0.264) 1.406 ======================= Grid point 481 (251/354) ======================= q-point: ( 0.00 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.290 ( 9.183 14.025 15.280) 22.683 2.421 ( -5.754 17.129 5.751) 18.963 2.828 ( -0.107 3.900 3.383) 5.164 3.251 ( 0.594 -1.569 0.829) 1.871 3.381 ( 5.093 -10.354 4.716) 12.465 3.569 ( 1.376 0.154 -1.040) 1.732 3.971 ( 0.771 7.661 2.405) 8.066 4.130 ( -3.729 12.259 4.945) 13.735 4.609 ( -2.917 -2.985 -11.937) 12.645 5.160 ( 0.261 6.583 -12.435) 14.072 5.242 ( -1.352 -14.542 7.244) 16.302 6.194 ( -0.611 -22.000 -8.209) 23.490 12.799 ( 0.203 16.692 1.682) 16.778 13.519 ( -1.116 -8.228 -0.058) 8.303 14.384 ( 9.104 14.196 16.061) 23.289 14.968 ( 3.291 -1.010 5.712) 6.669 75.099 ( 0.153 0.743 -0.200) 0.784 75.171 ( 0.067 -1.377 0.176) 1.390 ======================= Grid point 482 (252/354) ======================= q-point: ( 0.08 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.341 ( -1.198 13.117 8.453) 15.651 2.552 ( 7.359 13.446 12.242) 19.616 2.838 ( 0.062 6.893 -2.588) 7.363 3.156 ( -3.255 -3.895 2.747) 5.771 3.495 ( 2.650 0.172 -2.180) 3.436 3.752 ( 11.234 -6.120 4.880) 13.692 4.006 ( 5.016 2.798 -4.555) 7.331 4.201 ( 6.751 11.220 13.414) 18.746 4.522 ( -1.831 -2.463 -11.159) 11.574 5.122 ( 0.667 3.481 -10.596) 11.173 5.242 ( -1.294 -9.780 4.311) 10.766 6.124 ( -3.243 -21.314 -6.200) 22.433 12.530 ( -27.739 11.655 -0.364) 30.090 13.147 ( -35.119 -9.172 0.072) 36.297 14.615 ( 9.258 17.419 14.601) 24.542 15.029 ( 2.358 4.505 -0.702) 5.133 75.109 ( 0.968 0.659 -0.255) 1.199 75.178 ( 0.670 -1.332 0.088) 1.494 ======================= Grid point 483 (253/354) ======================= q-point: ( 0.15 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.357 ( -2.701 8.833 -0.462) 9.248 2.567 ( -4.378 8.154 5.924) 10.989 2.929 ( 8.362 11.217 6.414) 15.392 3.180 ( 2.695 -2.836 3.605) 5.320 3.551 ( 4.730 6.984 -4.740) 9.676 3.897 ( 2.776 -9.507 6.094) 11.629 4.189 ( 10.951 -6.277 -1.248) 12.683 4.426 ( 9.240 13.767 5.478) 17.462 4.465 ( 0.969 -5.335 -4.700) 7.176 5.128 ( 3.195 4.298 -8.129) 9.735 5.220 ( -1.231 -6.562 0.651) 6.708 6.039 ( -3.366 -17.993 -3.067) 18.560 11.716 ( -50.282 5.165 1.292) 50.563 12.188 ( -56.648 -9.259 1.227) 57.412 14.809 ( 5.681 18.916 -2.051) 19.857 15.107 ( 6.868 8.066 1.194) 10.661 75.138 ( 1.987 0.519 -0.252) 2.070 75.201 ( 1.678 -1.278 -0.083) 2.111 ======================= Grid point 484 (254/354) ======================= q-point: ( 0.23 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.142 ( -10.494 11.530 -15.239) 21.801 2.656 ( 6.724 4.301 13.939) 16.062 3.083 ( 1.246 8.423 14.771) 17.049 3.250 ( 4.932 -1.559 -5.577) 7.606 3.648 ( 5.724 5.859 -5.344) 9.780 3.947 ( -0.041 -12.069 5.491) 13.259 4.348 ( 3.331 -8.352 2.218) 9.261 4.438 ( 1.789 1.172 -1.070) 2.392 4.683 ( 11.328 6.481 1.235) 13.109 5.187 ( 4.484 7.058 -8.262) 11.755 5.222 ( 2.213 -4.442 -0.584) 4.997 5.954 ( -5.128 -12.674 -1.296) 13.734 10.637 ( -54.255 -0.248 6.106) 54.598 11.025 ( -55.143 -10.424 5.824) 56.421 14.820 ( 0.441 21.934 -20.273) 29.871 15.302 ( 10.048 5.766 2.363) 11.823 75.189 ( 3.109 0.411 -0.136) 3.139 75.248 ( 2.939 -1.235 -0.305) 3.202 ======================= Grid point 485 (255/354) ======================= q-point: ( 0.31 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.977 ( 1.588 15.775 -17.068) 23.296 2.831 ( 1.336 9.686 18.459) 20.889 3.091 ( -0.126 -6.635 5.129) 8.387 3.345 ( 5.954 2.073 -6.570) 9.106 3.726 ( 4.077 1.940 -7.124) 8.434 3.896 ( -8.641 -13.364 10.043) 18.818 4.361 ( 0.346 -0.399 0.480) 0.714 4.530 ( 5.366 -3.109 2.904) 6.847 4.904 ( 10.866 6.231 -2.163) 12.711 5.229 ( 2.530 6.089 -8.972) 11.135 5.299 ( 4.522 -1.355 -0.644) 4.764 5.791 ( -10.767 -6.720 -1.408) 12.770 9.687 ( -39.938 -1.185 10.260) 41.252 10.150 ( -32.723 -15.331 15.367) 39.268 14.722 ( -1.609 24.487 -27.503) 36.860 15.484 ( 7.635 0.324 -4.123) 8.683 75.260 ( 3.728 0.355 0.062) 3.746 75.315 ( 3.685 -1.205 -0.526) 3.912 ======================= Grid point 486 (256/354) ======================= q-point: ( 0.38 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.084 ( 11.302 14.932 -14.359) 23.599 2.714 ( -14.481 12.002 15.231) 24.202 3.216 ( 6.112 -13.426 1.308) 14.810 3.437 ( 5.154 1.573 -5.784) 7.905 3.694 ( -11.460 -11.075 12.006) 19.953 3.766 ( 2.358 -0.788 -9.228) 9.557 4.415 ( 4.834 3.680 0.498) 6.096 4.648 ( 5.010 -4.080 3.640) 7.416 5.109 ( 9.909 5.539 -3.064) 11.758 5.214 ( -1.182 5.511 -7.860) 9.672 5.378 ( 2.897 -0.358 -1.098) 3.119 5.537 ( -12.126 -2.019 -1.754) 12.417 9.134 ( -18.916 2.085 12.711) 22.885 9.814 ( -8.595 -22.104 24.076) 33.795 14.572 ( -3.780 25.433 -28.815) 38.619 15.570 ( 3.147 -5.668 -10.258) 12.135 75.332 ( 3.175 0.310 0.257) 3.200 75.384 ( 3.123 -1.169 -0.695) 3.407 ======================= Grid point 487 (257/354) ======================= q-point: ( 0.46 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.058 ( -16.374 8.781 -0.017) 18.580 2.589 ( 0.198 6.407 5.157) 8.227 3.137 ( -11.988 -8.769 7.027) 16.432 3.518 ( 4.731 -0.725 -3.297) 5.812 3.691 ( 7.256 -8.249 -3.229) 11.451 3.758 ( 0.068 -0.232 -4.966) 4.972 4.548 ( 7.125 3.585 2.573) 8.380 4.757 ( 4.551 -3.593 4.113) 7.109 5.127 ( -4.265 5.556 -7.748) 10.444 5.263 ( 4.338 4.081 -4.302) 7.347 5.314 ( -5.376 -0.590 -1.185) 5.536 5.434 ( 0.998 2.024 -1.442) 2.678 8.973 ( -2.350 5.660 13.452) 14.783 9.881 ( 4.626 -26.888 26.320) 37.909 14.368 ( -7.335 25.161 -25.725) 36.724 15.539 ( -2.113 -11.101 -13.798) 17.835 75.381 ( 1.334 0.223 0.392) 1.408 75.427 ( 1.166 -1.105 -0.796) 1.793 ======================= Grid point 488 (258/354) ======================= q-point: (-0.46 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.593 ( -26.695 6.367 7.512) 28.454 2.456 ( -17.683 -14.060 12.418) 25.779 3.035 ( -0.437 8.711 5.228) 10.169 3.601 ( 4.109 -3.881 -3.242) 6.516 3.718 ( 1.906 1.874 -12.703) 12.981 3.876 ( 8.047 -5.127 2.765) 9.933 4.678 ( 3.758 1.884 3.812) 5.675 4.858 ( 3.028 -3.818 5.637) 7.451 5.017 ( -2.563 5.057 -9.152) 10.766 5.205 ( -1.639 1.641 -7.679) 8.021 5.290 ( -2.630 3.941 -0.670) 4.785 5.464 ( 1.978 1.449 -1.790) 3.036 9.112 ( 11.787 7.148 11.895) 18.208 10.120 ( 10.007 -27.980 21.826) 36.870 14.097 ( -11.763 24.327 -19.304) 33.209 15.397 ( -6.981 -15.598 -13.641) 21.866 75.384 ( -1.126 0.078 0.438) 1.211 75.422 ( -1.352 -1.014 -0.819) 1.878 ======================= Grid point 489 (259/354) ======================= q-point: (-0.38 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.165 ( -14.970 3.134 9.772) 18.150 2.122 ( -16.960 -18.630 18.518) 31.267 3.025 ( -3.955 11.474 8.687) 14.925 3.635 ( 0.344 -4.991 -2.922) 5.794 3.732 ( 1.668 5.590 -8.809) 10.565 4.035 ( 5.869 -4.013 2.344) 7.486 4.721 ( -1.010 3.613 5.248) 6.452 4.849 ( -3.315 1.781 -2.652) 4.604 5.019 ( 2.625 -1.199 -4.838) 5.633 5.139 ( -0.773 2.134 -10.111) 10.363 5.261 ( 0.919 1.430 0.727) 1.849 5.480 ( 0.471 -0.606 -1.571) 1.749 9.542 ( 27.915 6.164 7.484) 29.551 10.431 ( 15.537 -24.236 12.120) 31.236 13.777 ( -14.165 23.374 -9.957) 29.089 15.181 ( -9.959 -18.977 -9.029) 23.256 75.341 ( -3.186 -0.054 0.326) 3.203 75.372 ( -3.137 -0.952 -0.686) 3.350 ======================= Grid point 490 (260/354) ======================= q-point: (-0.31 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.121 ( 5.926 2.394 7.196) 9.624 2.003 ( -0.049 -18.638 21.213) 28.238 2.942 ( -7.149 12.172 10.830) 17.792 3.605 ( -2.381 -4.307 -2.681) 5.605 3.680 ( -4.419 6.095 -6.209) 9.759 4.081 ( -2.994 -4.207 5.476) 7.527 4.634 ( -8.953 11.392 4.655) 15.219 4.825 ( 1.886 1.429 -8.602) 8.921 4.899 ( -7.762 7.920 -3.516) 11.634 5.198 ( -0.206 -7.253 -9.342) 11.829 5.358 ( 13.389 -3.873 -2.166) 14.106 5.500 ( 1.690 -4.612 3.378) 5.962 10.303 ( 45.664 3.353 0.242) 45.788 10.860 ( 25.354 -15.707 1.055) 29.844 13.498 ( -10.764 22.434 1.902) 24.955 14.959 ( -9.660 -20.572 -0.470) 22.732 75.266 ( -4.008 -0.016 0.042) 4.009 75.301 ( -3.468 -1.029 -0.351) 3.635 ======================= Grid point 491 (261/354) ======================= q-point: (-0.23 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.352 ( 13.009 9.618 8.844) 18.438 2.231 ( 13.361 -18.151 16.974) 28.215 2.822 ( -8.134 13.351 11.506) 19.411 3.471 ( -10.448 3.778 -5.598) 12.441 3.571 ( -3.080 -2.240 -3.186) 4.965 3.975 ( -9.091 -5.137 9.072) 13.832 4.431 ( -11.647 14.346 1.543) 18.543 4.660 ( -10.405 10.027 -3.809) 14.944 4.903 ( 2.808 0.389 -5.835) 6.487 5.105 ( -2.983 -2.924 -9.526) 10.402 5.470 ( -1.825 -6.291 0.757) 6.594 5.733 ( 17.229 -12.929 -0.679) 21.551 11.315 ( 50.307 0.601 -11.473) 51.602 11.493 ( 40.226 -5.305 -1.313) 40.596 13.406 ( 0.101 20.939 13.726) 25.037 14.811 ( -5.969 -19.184 9.016) 22.021 75.189 ( -3.375 0.201 -0.124) 3.384 75.236 ( -2.694 -1.201 -0.085) 2.951 ======================= Grid point 492 (262/354) ======================= q-point: (-0.15 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.680 ( 15.038 14.686 12.433) 24.422 2.566 ( 13.485 -15.332 13.368) 24.406 2.699 ( -7.876 15.563 10.875) 20.555 3.211 ( -11.585 4.540 -6.465) 14.022 3.508 ( -2.382 -1.346 -3.474) 4.422 3.804 ( -10.715 -7.688 11.422) 17.447 4.193 ( -11.727 14.625 1.405) 18.799 4.443 ( -9.575 10.765 -3.303) 14.781 4.851 ( -4.594 -4.915 -8.408) 10.768 5.094 ( 3.999 4.070 -8.024) 9.846 5.395 ( -5.410 -9.630 2.215) 11.266 6.030 ( 12.121 -16.892 -4.832) 21.345 12.066 ( 32.085 9.271 -7.902) 34.320 12.485 ( 48.921 -6.125 -6.312) 49.705 13.618 ( 14.788 17.619 19.780) 30.337 14.786 ( -0.630 -14.220 14.440) 20.276 75.134 ( -2.031 0.471 -0.158) 2.091 75.194 ( -1.499 -1.335 0.077) 2.009 ======================= Grid point 493 (263/354) ======================= q-point: (-0.08 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.013 ( 12.749 15.001 14.561) 24.487 2.565 ( -8.784 17.276 7.909) 20.932 2.815 ( 3.002 -5.968 12.578) 14.242 3.066 ( 4.504 1.153 -6.019) 7.606 3.442 ( -3.636 -0.079 -1.873) 4.090 3.640 ( -8.247 -9.744 8.319) 15.237 4.007 ( -6.458 12.948 3.756) 14.948 4.256 ( -7.871 11.590 -2.174) 14.178 4.722 ( -4.319 -4.138 -10.997) 12.519 5.152 ( 3.631 5.164 -7.412) 9.736 5.292 ( -4.996 -12.440 2.725) 13.680 6.181 ( 5.036 -20.254 -7.622) 22.219 12.580 ( 19.204 16.537 0.583) 25.350 13.248 ( 27.100 -7.297 -4.587) 28.437 14.054 ( 18.433 13.246 17.551) 28.692 14.865 ( 3.165 -7.160 12.380) 14.647 75.105 ( -0.767 0.680 -0.163) 1.038 75.175 ( -0.530 -1.387 0.169) 1.495 ======================= Grid point 494 (264/354) ======================= q-point: ( 0.00 0.45 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.565 ( 8.666 12.528 14.026) 20.707 2.710 ( -1.756 5.763 4.523) 7.533 2.862 ( -0.121 3.336 11.479) 11.954 3.087 ( -9.542 -12.838 4.571) 16.636 3.280 ( 9.299 3.528 -2.222) 10.191 3.434 ( 4.956 -9.635 -1.926) 11.005 4.251 ( -3.059 12.045 -11.709) 17.075 4.348 ( -3.231 4.880 1.754) 6.110 4.610 ( -0.628 7.245 -3.455) 8.051 4.907 ( -0.392 -17.166 6.906) 18.507 5.381 ( -0.656 14.476 -8.460) 16.780 5.747 ( -1.273 -20.916 -7.382) 22.217 13.099 ( -1.583 12.982 0.022) 13.078 13.332 ( -1.969 -10.167 -0.339) 10.361 14.666 ( 10.054 12.780 16.392) 23.089 14.879 ( 7.406 -7.701 12.283) 16.280 75.118 ( 0.131 1.106 -0.103) 1.118 75.143 ( 0.109 -1.340 0.031) 1.345 ======================= Grid point 495 (265/354) ======================= q-point: ( 0.08 0.45 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.596 ( -4.583 11.633 5.207) 13.544 2.748 ( -1.519 1.100 5.153) 5.484 2.947 ( 4.819 4.706 8.848) 11.120 3.044 ( 4.388 -3.680 7.415) 9.369 3.455 ( 7.424 -1.309 -0.913) 7.594 3.548 ( 6.160 -9.806 0.633) 11.598 4.177 ( 0.324 10.049 -10.600) 14.610 4.330 ( 1.295 -3.567 -5.485) 6.670 4.631 ( 2.668 14.673 4.365) 15.540 4.942 ( 1.413 -14.452 6.113) 15.755 5.342 ( -0.068 13.227 -7.933) 15.424 5.689 ( -1.517 -20.283 -5.930) 21.186 12.756 ( -32.473 10.546 -0.054) 34.142 12.959 ( -34.647 -9.525 0.207) 35.933 14.906 ( 9.365 10.859 11.001) 18.073 15.047 ( 6.571 -2.963 5.414) 9.016 75.127 ( 0.845 1.058 -0.167) 1.364 75.151 ( 0.751 -1.302 -0.049) 1.504 ======================= Grid point 496 (266/354) ======================= q-point: ( 0.15 0.45 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.532 ( -4.038 7.885 0.585) 8.879 2.642 ( -5.675 -1.623 2.125) 6.273 3.139 ( 8.292 7.683 8.526) 14.159 3.170 ( 4.680 2.140 3.797) 6.396 3.565 ( 4.292 -2.230 -2.638) 5.509 3.657 ( 2.761 -11.005 8.170) 13.982 4.209 ( 5.188 6.373 -6.162) 10.271 4.349 ( 2.643 -6.384 -7.007) 9.841 4.739 ( 6.074 14.757 4.520) 16.586 5.003 ( 2.967 -11.205 3.846) 12.212 5.339 ( 2.457 12.936 -6.401) 14.641 5.663 ( 0.520 -18.123 -3.399) 18.446 11.846 ( -54.861 7.379 1.643) 55.380 12.008 ( -56.576 -8.454 1.641) 57.228 15.099 ( 7.132 9.479 -1.324) 11.936 15.194 ( 7.383 0.076 0.058) 7.383 75.153 ( 1.860 0.954 -0.226) 2.103 75.176 ( 1.757 -1.228 -0.169) 2.150 ======================= Grid point 497 (267/354) ======================= q-point: ( 0.23 0.45 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.404 ( -5.054 13.203 -7.785) 16.139 2.625 ( 2.381 -7.269 2.688) 8.107 3.231 ( -0.683 6.440 6.769) 9.368 3.300 ( 5.564 2.896 1.230) 6.392 3.616 ( 1.845 -3.280 -2.189) 4.354 3.717 ( -1.050 -9.932 13.846) 17.072 4.305 ( 4.932 3.027 -2.071) 6.147 4.389 ( 3.107 -4.158 -2.707) 5.854 4.894 ( 8.300 11.106 -0.269) 13.868 5.093 ( 5.329 -8.232 -0.022) 9.806 5.388 ( 3.467 12.449 -4.459) 13.670 5.669 ( 0.184 -14.590 -2.039) 14.733 10.691 ( -56.873 5.165 6.283) 57.451 10.832 ( -56.986 -8.432 5.993) 57.918 15.174 ( 3.359 12.757 -14.518) 19.616 15.334 ( 6.720 -2.986 -6.241) 9.645 75.202 ( 3.045 0.858 -0.238) 3.172 75.223 ( 2.984 -1.158 -0.294) 3.215 ======================= Grid point 498 (268/354) ======================= q-point: ( 0.31 0.45 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.352 ( 4.003 19.957 -11.465) 23.361 2.734 ( 7.909 -16.178 -3.078) 18.269 3.174 ( -7.957 12.217 11.331) 18.465 3.380 ( 1.804 -3.426 1.158) 4.041 3.621 ( -2.323 -4.259 2.041) 5.264 3.699 ( -3.287 -7.108 8.934) 11.880 4.390 ( 4.288 3.084 -0.404) 5.297 4.461 ( 4.343 -3.554 0.204) 5.616 5.067 ( 9.119 8.362 -2.613) 12.645 5.214 ( 6.768 -5.619 -2.677) 9.195 5.412 ( -0.244 9.914 -4.065) 10.718 5.619 ( -4.941 -9.831 -2.510) 11.285 9.728 ( -39.059 5.077 12.384) 41.288 9.887 ( -37.242 -10.489 13.482) 40.972 15.147 ( 0.384 17.023 -22.497) 28.214 15.405 ( 3.606 -8.252 -14.166) 16.786 75.271 ( 3.722 0.794 -0.197) 3.811 75.291 ( 3.702 -1.107 -0.394) 3.884 ======================= Grid point 499 (269/354) ======================= q-point: ( 0.38 0.45 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.448 ( 5.908 19.496 -11.650) 23.467 2.810 ( -4.895 -12.533 -6.226) 14.826 3.073 ( -1.482 9.384 14.546) 17.374 3.351 ( -5.335 -13.790 9.998) 17.849 3.569 ( -0.244 3.923 -0.959) 4.046 3.691 ( 0.591 -6.206 -2.127) 6.587 4.486 ( 5.331 3.453 0.299) 6.359 4.560 ( 5.024 -3.997 1.467) 6.586 5.234 ( 7.951 6.132 -2.843) 10.436 5.323 ( 2.917 0.368 -6.740) 7.353 5.362 ( -1.093 2.734 -0.799) 3.051 5.468 ( -7.852 -4.805 -2.938) 9.663 9.227 ( -16.200 7.371 17.123) 24.698 9.445 ( -13.236 -14.299 20.587) 28.346 15.039 ( -2.871 20.169 -26.119) 33.124 15.379 ( -0.483 -13.153 -19.569) 23.583 75.343 ( 3.170 0.732 -0.133) 3.256 75.361 ( 3.145 -1.049 -0.456) 3.347 ======================= Grid point 500 (270/354) ======================= q-point: ( 0.46 0.45 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.300 ( -19.529 13.796 1.541) 23.960 2.559 ( -17.447 -9.704 2.697) 20.146 3.144 ( 4.514 9.479 7.014) 12.627 3.396 ( 5.555 -12.431 4.621) 14.379 3.608 ( 5.256 2.315 -6.286) 8.514 3.696 ( 1.505 -4.937 -4.867) 7.094 4.603 ( 5.542 2.493 1.363) 6.228 4.667 ( 4.671 -4.041 2.194) 6.554 5.245 ( -3.905 4.995 -6.498) 9.079 5.304 ( -4.609 -0.771 -5.475) 7.198 5.358 ( 3.810 4.057 -1.075) 5.668 5.428 ( 2.572 -2.364 -0.910) 3.610 9.134 ( -0.427 10.633 18.776) 21.582 9.423 ( 1.914 -18.210 23.068) 29.452 14.852 ( -6.949 22.094 -25.469) 34.425 15.252 ( -5.138 -17.072 -21.302) 27.778 75.389 ( 1.282 0.624 -0.076) 1.428 75.406 ( 1.217 -0.951 -0.483) 1.618 ======================= Grid point 501 (271/354) ======================= q-point: (-0.46 0.45 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.817 ( -27.420 14.524 10.566) 32.779 2.139 ( -24.578 -16.350 11.829) 31.801 3.257 ( 2.418 12.014 5.345) 13.370 3.481 ( 1.432 -8.827 2.415) 9.262 3.721 ( 6.928 0.306 -10.014) 12.181 3.770 ( 8.318 -4.295 -2.668) 9.734 4.698 ( 3.025 1.309 1.750) 3.732 4.753 ( 2.936 -4.355 2.479) 5.808 5.151 ( -2.862 5.885 -6.837) 9.464 5.222 ( -1.535 -0.972 -6.143) 6.406 5.382 ( -1.043 4.430 -1.895) 4.930 5.454 ( 0.293 -2.320 -1.411) 2.731 9.306 ( 11.253 12.399 16.849) 23.754 9.631 ( 10.886 -19.928 20.199) 30.391 14.586 ( -11.360 23.393 -20.821) 33.314 15.032 ( -9.600 -20.218 -18.867) 29.272 75.390 ( -1.210 0.467 -0.045) 1.297 75.403 ( -1.292 -0.814 -0.475) 1.599 ======================= Grid point 502 (272/354) ======================= q-point: (-0.38 0.45 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( -18.176 15.602 17.254) 29.520 1.736 ( -18.044 -19.147 19.285) 32.621 3.264 ( -3.082 11.765 6.297) 13.695 3.485 ( -1.518 -9.552 2.356) 9.955 3.819 ( 4.243 4.258 -6.715) 9.013 3.925 ( 5.775 -5.943 -1.266) 8.383 4.754 ( 3.000 1.655 0.750) 3.508 4.815 ( 3.113 -4.144 1.196) 5.319 5.082 ( -1.556 6.699 -7.488) 10.167 5.182 ( -1.036 -1.838 -6.847) 7.164 5.323 ( -3.543 5.319 -1.116) 6.488 5.429 ( -1.979 -4.311 -1.531) 4.985 9.713 ( 24.848 11.077 10.955) 29.328 10.004 ( 20.895 -17.660 12.412) 30.042 14.268 ( -13.703 24.531 -12.024) 30.563 14.754 ( -12.031 -22.828 -11.707) 28.336 75.344 ( -3.182 0.343 -0.065) 3.201 75.355 ( -3.167 -0.715 -0.402) 3.271 ======================= Grid point 503 (273/354) ======================= q-point: (-0.31 0.45 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.296 ( 4.629 13.682 17.967) 23.053 1.628 ( 1.214 -18.012 22.040) 28.489 3.198 ( -5.243 12.793 6.587) 15.314 3.444 ( -3.085 -10.809 2.194) 11.453 3.795 ( -5.247 6.312 -3.410) 8.888 3.945 ( -4.096 -7.915 1.458) 9.030 4.839 ( 2.938 4.376 2.786) 5.962 4.854 ( 0.208 2.536 -7.110) 7.551 5.039 ( -2.327 4.630 -4.361) 6.773 5.122 ( -1.156 0.189 -9.076) 9.152 5.290 ( 3.251 -1.234 1.021) 3.624 5.378 ( -2.620 -6.904 0.125) 7.386 10.402 ( 41.042 6.716 1.707) 41.622 10.584 ( 34.403 -11.297 1.739) 36.252 13.989 ( -10.889 25.268 0.828) 27.527 14.499 ( -10.236 -24.377 -0.052) 26.439 75.270 ( -3.824 0.400 -0.130) 3.847 75.282 ( -3.642 -0.785 -0.249) 3.734 ======================= Grid point 504 (274/354) ======================= q-point: (-0.23 0.45 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.587 ( 15.906 13.226 15.088) 25.604 1.884 ( 14.702 -15.914 17.975) 28.152 3.110 ( -5.316 14.501 6.363) 16.704 3.387 ( -2.832 -11.888 1.159) 12.275 3.605 ( -11.833 7.500 -1.458) 14.085 3.795 ( -10.812 -10.346 3.898) 15.464 4.735 ( -6.688 10.993 -8.018) 15.161 4.860 ( -2.345 0.185 -5.443) 5.929 4.889 ( -10.450 8.476 -0.476) 13.464 5.097 ( -0.744 -2.696 -3.412) 4.412 5.342 ( 0.090 -1.876 0.594) 1.970 5.479 ( 12.101 -11.377 -1.707) 16.696 11.340 ( 49.748 1.929 -8.791) 50.556 11.398 ( 46.463 -3.866 -5.436) 46.939 13.877 ( -2.053 24.591 14.988) 28.871 14.373 ( -3.819 -23.577 13.000) 27.193 75.197 ( -3.113 0.617 -0.138) 3.176 75.214 ( -2.883 -0.985 -0.111) 3.048 ======================= Grid point 505 (275/354) ======================= q-point: (-0.15 0.45 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.970 ( 15.843 13.902 14.279) 25.459 2.256 ( 15.299 -14.614 14.337) 25.557 3.041 ( -3.281 17.080 6.132) 18.441 3.336 ( -9.579 4.445 -1.742) 10.702 3.355 ( -3.931 -8.329 -0.226) 9.213 3.561 ( -13.376 -12.926 5.893) 19.512 4.552 ( -8.125 14.770 -8.794) 19.013 4.661 ( -11.101 8.754 0.573) 14.149 4.764 ( -3.757 -0.835 -8.787) 9.593 5.017 ( -6.187 -14.047 4.131) 15.895 5.384 ( 3.338 10.889 -4.778) 12.351 5.681 ( 8.014 -16.765 -4.331) 19.080 12.228 ( 40.951 6.973 -10.007) 42.729 12.360 ( 46.065 -6.182 -8.814) 47.306 14.021 ( 9.388 21.139 23.456) 32.942 14.441 ( 4.435 -19.423 20.890) 28.867 75.147 ( -1.797 0.861 -0.103) 1.995 75.168 ( -1.615 -1.180 -0.010) 2.000 ======================= Grid point 506 (276/354) ======================= q-point: (-0.08 0.45 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.302 ( 12.113 13.616 14.504) 23.292 2.567 ( 10.241 -12.111 12.903) 20.446 2.976 ( -8.478 18.141 7.992) 21.560 3.164 ( 0.354 7.493 -4.987) 9.008 3.303 ( -11.671 -11.375 3.597) 16.690 3.369 ( 0.919 -14.004 0.639) 14.049 4.372 ( -6.297 15.764 -6.959) 18.346 4.465 ( -8.072 6.952 -0.468) 10.663 4.667 ( -2.674 1.515 -8.253) 8.807 4.926 ( -3.961 -17.647 6.469) 19.208 5.409 ( 1.050 14.654 -7.590) 16.536 5.765 ( 2.366 -19.791 -6.719) 21.035 12.870 ( 23.372 12.115 -3.531) 26.561 13.083 ( 26.095 -9.125 -4.788) 28.057 14.357 ( 14.012 15.696 21.262) 29.913 14.657 ( 8.798 -13.045 18.927) 24.613 75.123 ( -0.642 1.041 -0.079) 1.226 75.147 ( -0.558 -1.304 0.044) 1.419 ======================= Grid point 572 (277/354) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.400 ( 10.667 0.000 15.304) 18.655 1.676 ( -10.302 0.000 -13.203) 16.747 1.774 ( 4.515 0.000 14.244) 14.943 2.378 ( -3.060 0.000 -10.683) 11.113 3.394 ( -2.904 0.000 22.559) 22.745 4.142 ( 7.447 0.000 2.840) 7.970 4.243 ( -1.363 0.000 -0.654) 1.511 4.535 ( 0.915 0.000 -18.300) 18.323 5.237 ( -0.294 0.000 13.538) 13.541 5.420 ( 0.648 0.000 2.795) 2.869 5.587 ( -0.444 0.000 -2.331) 2.372 6.312 ( -3.130 0.000 -11.746) 12.156 11.911 ( 5.900 0.000 10.263) 11.839 13.590 ( -1.700 0.000 -1.246) 2.108 14.079 ( -5.779 0.000 -10.155) 11.684 14.286 ( 0.518 0.000 0.344) 0.622 75.080 ( 0.161 0.000 -0.106) 0.193 75.244 ( -0.054 0.000 0.173) 0.182 ======================= Grid point 573 (278/354) ======================= q-point: ( 0.08 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.465 ( -4.971 0.000 -12.376) 13.337 1.700 ( 13.241 0.000 13.190) 18.690 1.998 ( 13.504 0.000 1.325) 13.569 2.426 ( 9.344 0.000 -1.517) 9.466 3.434 ( 0.033 0.000 17.999) 17.999 4.033 ( -9.993 0.000 -3.560) 10.609 4.390 ( 7.974 0.000 -6.044) 10.006 4.569 ( 7.882 0.000 -12.923) 15.137 5.286 ( 1.356 0.000 9.533) 9.629 5.384 ( -4.861 0.000 0.444) 4.881 5.533 ( -4.291 0.000 -0.597) 4.332 6.204 ( -4.984 0.000 -1.649) 5.249 12.027 ( 4.397 0.000 -5.936) 7.387 13.357 ( -20.500 0.000 3.074) 20.729 13.904 ( -37.241 0.000 -1.278) 37.263 14.090 ( 7.791 0.000 5.794) 9.709 75.096 ( 1.428 0.000 -0.363) 1.474 75.248 ( 0.428 0.000 0.188) 0.468 ======================= Grid point 574 (279/354) ======================= q-point: ( 0.15 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.437 ( 6.271 0.000 -7.771) 9.986 2.005 ( 13.040 0.000 8.905) 15.791 2.286 ( 15.636 0.000 -10.299) 18.723 2.664 ( 9.668 0.000 10.044) 13.942 3.492 ( -0.807 0.000 6.866) 6.914 3.835 ( -5.446 0.000 1.102) 5.556 4.463 ( 3.531 0.000 -13.632) 14.082 4.721 ( 8.791 0.000 -7.521) 11.569 5.232 ( -9.776 0.000 -1.108) 9.839 5.363 ( 3.740 0.000 5.317) 6.501 5.406 ( -8.394 0.000 0.445) 8.406 6.098 ( -6.275 0.000 4.822) 7.914 12.065 ( 4.195 0.000 -17.469) 17.965 12.830 ( -56.274 0.000 -0.634) 56.277 12.882 ( -34.927 0.000 6.717) 35.567 14.403 ( 17.770 0.000 17.456) 24.910 75.136 ( 2.663 0.000 -0.290) 2.679 75.266 ( 1.309 0.000 0.096) 1.313 ======================= Grid point 575 (280/354) ======================= q-point: ( 0.23 0.00 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.659 ( 16.561 0.000 -2.087) 16.692 2.288 ( 12.947 0.000 3.638) 13.449 2.518 ( 9.820 0.000 -15.969) 18.746 2.772 ( -4.071 0.000 19.572) 19.991 3.428 ( -2.831 0.000 1.789) 3.349 3.924 ( 11.331 0.000 -0.867) 11.364 4.449 ( -0.460 0.000 -14.034) 14.041 4.851 ( 6.752 0.000 -6.128) 9.118 4.992 ( -13.344 0.000 -0.913) 13.375 5.193 ( -12.704 0.000 0.093) 12.704 5.460 ( 3.582 0.000 4.664) 5.881 5.975 ( -7.264 0.000 4.097) 8.339 11.417 ( -71.405 0.000 -3.173) 71.476 12.103 ( 6.216 0.000 -20.029) 20.971 12.448 ( -17.168 0.000 16.597) 23.878 14.872 ( 21.061 0.000 20.575) 29.443 75.201 ( 3.778 0.000 0.188) 3.782 75.304 ( 2.474 0.000 -0.201) 2.482 ======================= Grid point 576 (281/354) ======================= q-point: ( 0.31 0.00 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.050 ( 20.987 0.000 1.901) 21.073 2.493 ( -6.395 0.000 6.059) 8.809 2.560 ( 13.621 0.000 -1.343) 13.687 2.820 ( 5.340 0.000 3.184) 6.218 3.399 ( -1.977 0.000 -3.543) 4.057 4.160 ( 9.657 0.000 -6.619) 11.708 4.371 ( 0.219 0.000 -11.381) 11.384 4.698 ( -15.288 0.000 0.101) 15.289 4.899 ( -16.056 0.000 -0.631) 16.068 4.970 ( 6.304 0.000 -2.175) 6.668 5.519 ( -0.211 0.000 7.795) 7.798 5.851 ( -4.626 0.000 -1.792) 4.961 10.079 ( -57.248 0.000 -0.706) 57.252 12.177 ( 7.087 0.000 -17.465) 18.848 12.331 ( -1.196 0.000 21.799) 21.832 15.356 ( 19.322 0.000 18.585) 26.809 75.285 ( 4.184 0.000 0.900) 4.279 75.362 ( 3.274 0.000 -0.721) 3.352 ======================= Grid point 577 (282/354) ======================= q-point: ( 0.38 0.00 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.467 ( 1.284 0.000 10.943) 11.018 2.480 ( 19.358 0.000 4.422) 19.857 2.825 ( 13.278 0.000 -5.031) 14.199 2.928 ( 2.793 0.000 2.630) 3.836 3.323 ( 0.122 0.000 -14.710) 14.710 4.158 ( -3.489 0.000 -4.334) 5.564 4.394 ( -14.171 0.000 1.127) 14.216 4.497 ( 10.630 0.000 -8.907) 13.869 4.558 ( -16.644 0.000 -1.128) 16.682 5.059 ( 1.640 0.000 1.212) 2.040 5.515 ( -1.695 0.000 9.139) 9.295 5.796 ( -0.079 0.000 -5.068) 5.069 9.162 ( -33.153 0.000 1.458) 33.185 12.253 ( 5.106 0.000 -12.799) 13.780 12.494 ( 8.098 0.000 21.299) 22.787 15.755 ( 14.055 0.000 14.096) 19.905 75.368 ( 3.311 0.000 1.511) 3.639 75.423 ( 2.944 0.000 -1.249) 3.198 ======================= Grid point 578 (283/354) ======================= q-point: ( 0.46 0.00 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.536 ( -1.990 0.000 13.662) 13.806 2.805 ( 9.248 0.000 6.144) 11.103 2.937 ( 0.665 0.000 -0.589) 0.888 3.022 ( 6.283 0.000 -6.567) 9.089 3.370 ( 7.348 0.000 -15.865) 17.484 4.074 ( -2.982 0.000 -3.198) 4.372 4.178 ( -6.081 0.000 1.349) 6.228 4.271 ( -9.255 0.000 -1.248) 9.339 4.613 ( 1.454 0.000 -2.681) 3.050 5.064 ( 1.197 0.000 -1.958) 2.295 5.544 ( 0.935 0.000 8.092) 8.146 5.779 ( -0.818 0.000 -3.305) 3.405 8.739 ( -9.401 0.000 0.420) 9.410 12.280 ( 0.676 0.000 -7.374) 7.404 12.724 ( 6.793 0.000 14.611) 16.113 16.004 ( 6.465 0.000 8.338) 10.551 75.422 ( 1.359 0.000 1.677) 2.159 75.462 ( 1.124 0.000 -1.460) 1.843 ======================= Grid point 579 (284/354) ======================= q-point: (-0.46 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.461 ( -7.199 0.000 16.777) 18.257 2.852 ( -6.322 0.000 5.229) 8.204 2.956 ( -11.013 0.000 -3.707) 11.620 2.984 ( 1.149 0.000 -0.506) 1.255 3.390 ( 0.066 0.000 -18.144) 18.144 4.052 ( 1.547 0.000 -0.194) 1.559 4.204 ( 7.804 0.000 -1.079) 7.878 4.254 ( 8.335 0.000 0.246) 8.338 4.540 ( -7.418 0.000 2.776) 7.921 5.127 ( 5.166 0.000 -7.230) 8.886 5.574 ( -0.874 0.000 7.115) 7.169 5.737 ( -1.944 0.000 -0.951) 2.164 8.771 ( 12.653 0.000 -2.660) 12.930 12.224 ( -4.687 0.000 -1.644) 4.967 12.825 ( -0.250 0.000 4.257) 4.265 16.066 ( -2.031 0.000 1.943) 2.810 75.431 ( -0.958 0.000 1.614) 1.877 75.454 ( -1.455 0.000 -1.526) 2.108 ======================= Grid point 580 (285/354) ======================= q-point: (-0.38 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.493 ( 7.438 0.000 9.772) 12.281 2.560 ( -21.069 0.000 -3.658) 21.384 2.712 ( -11.719 0.000 6.362) 13.335 2.863 ( -13.654 0.000 4.240) 14.297 3.362 ( 4.555 0.000 -14.507) 15.205 4.069 ( -3.633 0.000 7.701) 8.515 4.387 ( -6.263 0.000 -2.370) 6.696 4.425 ( 13.595 0.000 -1.986) 13.740 4.537 ( 16.990 0.000 0.923) 17.015 5.145 ( -2.231 0.000 -6.276) 6.661 5.555 ( -3.866 0.000 8.458) 9.300 5.757 ( 6.303 0.000 -4.288) 7.623 9.227 ( 33.739 0.000 -4.583) 34.049 12.086 ( -9.102 0.000 4.280) 10.058 12.761 ( -4.625 0.000 -5.855) 7.461 15.939 ( -9.890 0.000 -4.659) 10.933 75.388 ( -3.863 0.000 0.412) 3.885 75.407 ( -2.375 0.000 -0.466) 2.420 ======================= Grid point 581 (286/354) ======================= q-point: (-0.31 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.086 ( -23.712 0.000 -1.874) 23.786 2.506 ( -10.169 0.000 4.128) 10.975 2.540 ( -15.781 0.000 2.258) 15.942 2.805 ( 16.371 0.000 3.719) 16.788 3.442 ( 5.285 0.000 -5.609) 7.707 3.903 ( -15.551 0.000 15.367) 21.863 4.317 ( 0.179 0.000 -5.509) 5.512 4.706 ( 13.978 0.000 -0.673) 13.994 4.890 ( 16.875 0.000 0.256) 16.876 5.023 ( -6.411 0.000 -5.589) 8.505 5.477 ( -6.848 0.000 10.746) 12.742 5.946 ( 13.333 0.000 -9.981) 16.656 10.116 ( 55.535 0.000 -3.742) 55.661 11.904 ( -10.787 0.000 10.306) 14.919 12.665 ( 0.011 0.000 -12.161) 12.161 15.648 ( -15.854 0.000 -11.030) 19.313 75.297 ( -4.796 0.000 -0.128) 4.798 75.353 ( -2.733 0.000 -0.000) 2.733 ======================= Grid point 582 (287/354) ======================= q-point: (-0.23 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.623 ( -21.095 0.000 1.607) 21.156 2.237 ( -16.439 0.000 12.550) 20.682 2.328 ( -8.370 0.000 -0.396) 8.380 3.082 ( 8.164 0.000 -8.786) 11.993 3.472 ( -2.605 0.000 -3.787) 4.597 3.655 ( -10.316 0.000 21.584) 23.922 4.322 ( 0.714 0.000 -0.227) 0.749 4.885 ( -4.691 0.000 -7.719) 9.033 4.971 ( 11.979 0.000 1.128) 12.032 5.202 ( 13.746 0.000 -0.733) 13.765 5.363 ( -7.973 0.000 12.298) 14.656 6.180 ( 13.013 0.000 -14.503) 19.485 11.404 ( 70.201 0.000 -1.259) 70.212 11.746 ( -8.626 0.000 15.973) 18.153 12.739 ( 12.333 0.000 -13.045) 17.952 15.241 ( -19.169 0.000 -16.532) 25.313 75.203 ( -4.200 0.000 -0.036) 4.200 75.302 ( -2.201 0.000 -0.041) 2.201 ======================= Grid point 583 (288/354) ======================= q-point: (-0.15 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( -12.261 0.000 7.451) 14.348 1.959 ( -15.910 0.000 18.558) 24.445 2.150 ( -8.576 0.000 -5.891) 10.404 2.951 ( -13.831 0.000 -15.140) 20.507 3.410 ( -4.810 0.000 20.960) 21.505 3.700 ( 7.067 0.000 6.347) 9.499 4.325 ( -0.916 0.000 1.831) 2.047 4.769 ( -4.134 0.000 -11.028) 11.777 5.191 ( 8.972 0.000 2.738) 9.381 5.256 ( -6.361 0.000 13.691) 15.097 5.431 ( 9.215 0.000 -1.831) 9.395 6.344 ( 8.259 0.000 -17.872) 19.688 11.686 ( -3.071 0.000 19.906) 20.142 12.807 ( 64.735 0.000 0.508) 64.737 13.058 ( 21.385 0.000 -9.778) 23.515 14.783 ( -19.311 0.000 -19.981) 27.788 75.132 ( -2.820 0.000 0.104) 2.822 75.267 ( -1.275 0.000 -0.011) 1.276 ======================= Grid point 584 (289/354) ======================= q-point: (-0.08 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.214 ( 1.403 0.000 13.518) 13.591 1.760 ( -8.861 0.000 19.706) 21.606 1.931 ( -10.233 0.000 -10.652) 14.771 2.600 ( -13.603 0.000 -13.447) 19.128 3.391 ( -4.518 0.000 23.684) 24.111 3.909 ( 10.778 0.000 5.474) 12.089 4.299 ( -2.115 0.000 1.208) 2.436 4.636 ( -4.134 0.000 -15.245) 15.796 5.214 ( -2.607 0.000 14.480) 14.713 5.347 ( 5.266 0.000 3.509) 6.328 5.559 ( 4.190 0.000 -2.607) 4.934 6.384 ( 1.779 0.000 -17.869) 17.958 11.758 ( 3.151 0.000 19.294) 19.550 13.440 ( 16.267 0.000 -5.289) 17.105 13.881 ( 38.324 0.000 0.932) 38.335 14.356 ( -15.338 0.000 -19.057) 24.463 75.091 ( -1.273 0.000 0.119) 1.279 75.249 ( -0.514 0.000 0.093) 0.522 ======================= Grid point 585 (290/354) ======================= q-point: ( 0.00 0.09 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.581 ( 8.803 15.618 14.238) 22.894 1.832 ( 3.762 6.201 11.903) 13.938 1.861 ( -7.995 16.653 -11.405) 21.710 2.408 ( -3.001 2.959 -9.982) 10.835 3.442 ( -2.611 4.969 22.183) 22.882 4.096 ( 7.765 -4.408 2.670) 9.319 4.197 ( -2.520 -4.603 -0.706) 5.295 4.518 ( 0.560 -2.324 -16.505) 16.677 4.960 ( 1.501 -18.314 6.526) 19.500 5.188 ( -1.117 -17.268 0.985) 17.332 5.741 ( -1.618 7.399 3.255) 8.243 6.475 ( -1.079 10.253 -10.250) 14.538 11.977 ( 4.703 6.583 8.014) 11.387 13.682 ( 2.548 8.381 3.300) 9.361 14.008 ( -6.905 -4.793 -8.048) 11.637 14.403 ( -0.865 9.463 -3.256) 10.044 75.080 ( 0.143 -0.028 -0.103) 0.179 75.239 ( -0.046 -0.492 0.167) 0.522 ======================= Grid point 586 (291/354) ======================= q-point: ( 0.08 0.09 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.642 ( -5.638 15.010 -12.275) 20.193 1.847 ( 10.601 13.869 12.607) 21.532 2.055 ( 13.567 5.586 1.108) 14.714 2.465 ( 9.645 3.914 -1.073) 10.464 3.487 ( 0.445 5.543 17.558) 18.417 3.969 ( -10.682 -6.179 -3.579) 12.849 4.350 ( 8.062 -3.933 -5.309) 10.424 4.552 ( 7.896 -2.053 -11.317) 13.952 5.013 ( 2.110 -17.689 0.487) 17.821 5.177 ( -0.370 -15.341 3.677) 15.780 5.677 ( -6.160 6.374 5.547) 10.457 6.380 ( -5.559 11.367 -4.300) 13.364 12.030 ( -0.554 1.182 -4.153) 4.354 13.476 ( -21.329 9.045 -2.371) 23.289 13.783 ( -24.991 -5.053 3.952) 25.801 14.279 ( -0.526 13.228 3.668) 13.737 75.094 ( 1.374 -0.096 -0.326) 1.415 75.243 ( 0.437 -0.480 0.170) 0.671 ======================= Grid point 587 (292/354) ======================= q-point: ( 0.15 0.09 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.544 ( 0.988 9.126 -11.602) 14.794 2.121 ( 11.870 10.740 10.193) 18.977 2.353 ( 16.355 6.474 -7.715) 19.207 2.704 ( 9.911 4.258 8.959) 14.022 3.548 ( -1.648 5.507 6.056) 8.350 3.772 ( -3.763 -5.654 1.359) 6.926 4.413 ( 2.240 -4.723 -12.284) 13.350 4.712 ( 8.933 -0.812 -7.488) 11.684 5.029 ( -0.644 -15.291 -2.588) 15.522 5.209 ( 2.277 -7.651 2.097) 8.254 5.540 ( -9.146 3.745 8.890) 13.293 6.226 ( -8.877 9.292 -0.203) 12.853 11.918 ( -9.330 -10.485 -7.881) 16.097 12.790 ( -53.450 -6.986 1.186) 53.918 13.086 ( -25.911 19.931 -5.315) 33.119 14.518 ( 16.126 10.399 16.354) 25.212 75.133 ( 2.609 -0.193 -0.258) 2.629 75.261 ( 1.322 -0.466 0.071) 1.404 ======================= Grid point 588 (293/354) ======================= q-point: ( 0.23 0.09 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.609 ( 8.193 -4.336 -7.793) 12.110 2.384 ( 11.291 9.647 5.695) 15.905 2.638 ( 14.542 9.513 -11.279) 20.717 2.825 ( -3.212 5.786 17.248) 18.474 3.456 ( -3.442 1.978 0.475) 3.998 3.899 ( 11.896 -1.475 -1.088) 12.036 4.373 ( -2.073 -6.426 -11.739) 13.542 4.837 ( 6.321 -0.985 -7.400) 9.781 4.950 ( -6.890 -4.468 -2.034) 8.460 5.205 ( -5.561 1.129 -0.827) 5.735 5.437 ( -2.108 -3.266 10.541) 11.235 6.027 ( -10.333 4.590 0.057) 11.307 11.279 ( -59.976 -11.597 -1.073) 61.097 11.931 ( -16.115 -11.915 1.302) 20.083 12.737 ( -7.918 22.020 -7.048) 24.439 14.949 ( 19.355 6.887 18.250) 27.479 75.198 ( 3.743 -0.279 0.179) 3.757 75.299 ( 2.489 -0.443 -0.214) 2.537 ======================= Grid point 589 (294/354) ======================= q-point: ( 0.31 0.09 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.800 ( 12.253 -17.269 -2.093) 21.278 2.618 ( 10.516 8.291 2.490) 13.621 2.748 ( -4.328 14.219 14.115) 20.497 2.900 ( 12.166 8.237 -5.965) 15.857 3.417 ( -1.419 1.206 -5.692) 5.989 4.138 ( 9.977 -1.855 -6.198) 11.891 4.278 ( -1.805 -6.029 -7.599) 9.867 4.728 ( -13.806 1.386 -0.671) 13.892 4.915 ( 0.367 0.216 -5.139) 5.157 5.043 ( -5.737 6.759 1.919) 9.071 5.470 ( -0.032 -4.840 8.359) 9.659 5.838 ( -6.872 -0.965 -3.128) 7.612 10.051 ( -54.597 -2.648 1.050) 54.671 11.818 ( 0.096 -22.054 8.042) 23.475 12.673 ( 2.445 20.643 -5.534) 21.511 15.388 ( 17.619 2.782 15.694) 23.759 75.282 ( 4.179 -0.334 0.837) 4.275 75.357 ( 3.279 -0.418 -0.701) 3.379 ======================= Grid point 590 (295/354) ======================= q-point: ( 0.38 0.09 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.096 ( 17.151 -19.033 -0.194) 25.621 2.684 ( -6.261 -0.144 14.373) 15.678 2.861 ( 10.696 14.757 0.961) 18.251 3.137 ( 12.772 10.649 -6.248) 17.764 3.372 ( 2.261 5.007 -13.334) 14.421 4.141 ( -3.383 -1.691 -3.665) 5.266 4.290 ( -3.458 -8.767 -3.017) 9.896 4.445 ( -12.121 4.625 0.804) 12.998 4.798 ( -2.591 12.405 -4.857) 13.571 5.060 ( 1.004 0.391 1.832) 2.125 5.472 ( -1.578 -4.107 8.390) 9.474 5.748 ( -1.047 -4.516 -5.157) 6.934 9.178 ( -31.747 1.483 2.445) 31.875 11.925 ( 6.170 -23.188 7.045) 25.008 12.755 ( 5.621 16.868 0.456) 17.785 15.745 ( 12.621 -1.157 11.345) 17.009 75.364 ( 3.339 -0.341 1.420) 3.644 75.419 ( 2.924 -0.417 -1.205) 3.190 ======================= Grid point 591 (296/354) ======================= q-point: ( 0.46 0.09 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.451 ( 16.577 -16.435 -4.830) 23.838 2.530 ( -13.039 -5.447 16.686) 21.866 3.043 ( 5.082 13.849 1.334) 14.812 3.331 ( 7.387 5.497 -6.822) 11.460 3.436 ( 5.116 13.125 -10.232) 17.411 4.006 ( -8.087 -10.114 -1.461) 13.032 4.167 ( -2.058 -0.383 -1.315) 2.472 4.260 ( -5.817 7.145 -0.055) 9.214 4.802 ( -0.169 13.476 -1.615) 13.574 5.058 ( 1.206 -0.641 -2.105) 2.509 5.497 ( 0.880 -4.503 7.510) 8.800 5.720 ( -1.117 -5.709 -3.261) 6.669 8.776 ( -8.943 3.532 1.013) 9.668 12.048 ( 3.246 -19.950 2.289) 20.342 12.868 ( 3.792 11.639 4.585) 13.071 15.962 ( 5.591 -4.162 6.410) 9.469 75.418 ( 1.380 -0.315 1.619) 2.150 75.457 ( 1.105 -0.445 -1.439) 1.868 ======================= Grid point 592 (297/354) ======================= q-point: (-0.46 0.09 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.280 ( -13.738 -16.192 12.014) 24.397 2.713 ( 7.743 -4.398 -0.344) 8.911 3.008 ( -9.072 11.812 3.266) 15.248 3.333 ( -9.432 14.847 2.289) 17.738 3.385 ( -1.983 -0.362 -13.479) 13.628 3.980 ( 4.435 -7.263 0.617) 8.533 4.199 ( 6.744 1.054 -4.458) 8.152 4.282 ( 7.434 7.446 -2.038) 10.717 4.723 ( -6.021 12.646 4.407) 14.683 5.128 ( 5.405 0.281 -7.465) 9.221 5.528 ( -0.560 -4.422 6.623) 7.984 5.675 ( -1.968 -5.980 -0.816) 6.348 8.810 ( 12.252 3.715 -2.262) 13.001 12.052 ( -3.109 -16.291 0.296) 16.588 12.906 ( -1.685 7.642 2.335) 8.166 16.010 ( -2.111 -5.507 1.392) 6.060 75.428 ( -0.998 -0.340 1.585) 1.903 75.449 ( -1.423 -0.437 -1.517) 2.125 ======================= Grid point 593 (298/354) ======================= q-point: (-0.38 0.09 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.082 ( -9.633 -23.254 1.282) 25.202 2.741 ( -4.595 4.763 11.758) 13.493 2.807 ( -8.949 11.208 2.271) 14.521 3.096 ( -13.356 15.178 1.561) 20.278 3.321 ( 1.703 -3.211 -10.304) 10.927 4.045 ( -1.563 -1.759 6.570) 6.978 4.315 ( 1.872 -1.056 -7.387) 7.694 4.473 ( 12.042 3.774 -1.712) 12.736 4.718 ( 6.966 11.695 2.457) 13.832 5.150 ( -1.571 0.771 -6.037) 6.286 5.516 ( -3.214 -3.638 7.952) 9.316 5.696 ( 6.265 -5.841 -3.764) 9.356 9.252 ( 32.794 2.449 -4.634) 33.210 11.943 ( -7.229 -13.843 1.423) 15.681 12.824 ( -5.546 6.288 -2.640) 8.790 15.890 ( -9.149 -4.800 -3.657) 10.960 75.383 ( -3.841 -0.470 0.323) 3.883 75.403 ( -2.408 -0.332 -0.377) 2.460 ======================= Grid point 594 (299/354) ======================= q-point: (-0.31 0.09 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.811 ( -16.228 -19.860 -2.931) 25.814 2.628 ( -9.040 13.319 1.074) 16.133 2.696 ( -12.398 6.588 13.214) 19.280 2.954 ( 7.425 13.283 -3.480) 15.610 3.377 ( 4.359 -5.835 -1.439) 7.424 3.908 ( -14.375 1.453 12.623) 19.186 4.287 ( 0.207 -1.609 -7.408) 7.584 4.722 ( 11.450 0.485 0.109) 11.461 4.891 ( 3.857 -0.182 -1.419) 4.114 5.103 ( 2.895 6.995 -4.111) 8.615 5.463 ( -4.172 -1.233 9.403) 10.360 5.888 ( 13.612 -5.356 -8.428) 16.882 10.114 ( 53.760 -0.149 -4.728) 53.968 11.808 ( -6.271 -9.651 5.249) 12.650 12.718 ( -1.863 5.673 -6.119) 8.549 15.627 ( -14.479 -2.227 -8.739) 17.058 75.293 ( -4.743 -0.394 -0.140) 4.761 75.349 ( -2.782 -0.414 0.028) 2.813 ======================= Grid point 595 (300/354) ======================= q-point: (-0.23 0.09 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.487 ( -14.333 -10.175 4.538) 18.153 2.400 ( -16.680 13.347 10.563) 23.832 2.466 ( -8.611 12.139 -1.278) 14.938 3.136 ( 5.237 4.902 -11.153) 13.261 3.455 ( 4.209 -4.148 0.361) 5.921 3.637 ( -15.110 1.410 20.815) 25.760 4.283 ( 0.697 -3.217 -1.566) 3.645 4.840 ( -2.474 -3.313 -5.755) 7.086 4.911 ( 4.656 -5.932 1.855) 7.766 5.187 ( 1.276 0.589 1.403) 1.986 5.474 ( 4.090 6.598 5.331) 9.417 6.149 ( 14.651 -2.720 -11.728) 18.963 11.303 ( 55.634 -7.593 -3.098) 56.236 11.798 ( 9.736 2.118 11.919) 15.535 12.769 ( 10.261 4.050 -7.445) 13.309 15.262 ( -17.389 1.652 -13.457) 22.050 75.200 ( -4.133 -0.279 -0.048) 4.143 75.297 ( -2.232 -0.485 -0.009) 2.284 ======================= Grid point 596 (301/354) ======================= q-point: (-0.15 0.09 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.313 ( -4.843 2.817 12.050) 13.288 2.092 ( -17.294 11.708 14.894) 25.652 2.287 ( -8.156 12.822 -6.965) 16.716 2.968 ( -13.846 1.788 -14.035) 19.796 3.473 ( -6.759 5.747 22.472) 24.160 3.637 ( 9.248 -5.492 3.847) 11.424 4.289 ( -0.489 -3.411 1.700) 3.842 4.755 ( -3.221 -1.104 -10.818) 11.341 4.942 ( -2.516 -16.317 6.829) 17.867 5.193 ( 0.062 -4.738 2.430) 5.325 5.612 ( 6.562 8.280 1.703) 10.701 6.369 ( 10.906 1.752 -14.088) 17.902 11.690 ( 3.099 0.587 14.533) 14.871 12.794 ( 59.116 -2.738 0.765) 59.184 13.083 ( 22.617 4.429 -5.142) 23.613 14.853 ( -17.258 6.222 -16.736) 24.833 75.130 ( -2.752 -0.149 0.083) 2.757 75.261 ( -1.282 -0.512 0.015) 1.381 ======================= Grid point 597 (302/354) ======================= q-point: (-0.08 0.09 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.374 ( 5.466 13.650 14.882) 20.921 1.849 ( -10.557 8.640 16.839) 21.672 2.081 ( -9.040 13.853 -10.942) 19.833 2.626 ( -13.342 2.702 -12.469) 18.461 3.437 ( -4.707 4.511 23.913) 24.785 3.860 ( 11.057 -4.440 4.110) 12.604 4.269 ( -2.260 -3.055 1.317) 4.022 4.625 ( -4.724 -1.536 -14.529) 15.355 4.924 ( -0.928 -19.052 8.396) 20.841 5.201 ( -0.218 -12.273 0.921) 12.309 5.718 ( 3.042 7.722 1.831) 8.499 6.481 ( 4.844 6.524 -14.096) 16.270 11.825 ( 5.173 6.573 15.771) 17.852 13.455 ( 17.984 1.029 -1.352) 18.064 13.831 ( 33.363 -2.804 -0.915) 33.494 14.489 ( -11.359 11.074 -15.569) 22.227 75.090 ( -1.234 -0.046 0.095) 1.239 75.244 ( -0.508 -0.506 0.102) 0.724 ======================= Grid point 598 (303/354) ======================= q-point: ( 0.00 0.18 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.929 ( 4.758 16.854 10.489) 20.414 1.998 ( 3.281 10.230 10.425) 14.970 2.317 ( -3.413 26.223 -9.238) 28.011 2.497 ( -3.613 5.876 -7.993) 10.558 3.600 ( -0.563 9.790 21.723) 23.834 3.980 ( 7.713 -5.869 1.138) 9.759 4.051 ( -6.200 -9.921 -0.862) 11.730 4.374 ( 1.090 -12.505 -5.303) 13.627 4.700 ( 2.330 -5.467 -2.958) 6.639 4.868 ( -1.636 -12.514 -3.922) 13.216 5.788 ( -2.152 -3.037 4.676) 5.976 6.578 ( 0.419 -1.445 -8.330) 8.465 12.179 ( 2.424 13.108 3.924) 13.896 13.806 ( 7.321 -2.137 5.902) 9.643 14.014 ( -6.531 10.732 -2.184) 12.751 14.625 ( -2.260 11.654 -5.229) 12.971 75.080 ( 0.106 0.086 -0.099) 0.168 75.225 ( -0.026 -0.940 0.148) 0.952 ======================= Grid point 599 (304/354) ======================= q-point: ( 0.08 0.18 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.950 ( -4.147 13.630 -7.082) 15.910 2.205 ( 5.400 16.017 7.869) 18.645 2.231 ( 8.729 14.215 -0.775) 16.699 2.606 ( 11.672 11.167 0.543) 16.163 3.666 ( 1.137 11.119 15.593) 19.185 3.799 ( -11.282 -9.092 -3.141) 14.826 4.234 ( 8.976 -7.339 -3.445) 12.095 4.434 ( 7.770 -10.587 -4.659) 13.934 4.755 ( 3.522 -5.501 -7.777) 10.156 4.874 ( 3.503 -13.475 3.364) 14.323 5.714 ( -7.068 -2.735 6.954) 10.286 6.508 ( -4.722 -0.188 -5.638) 7.357 12.107 ( -10.440 6.748 -1.481) 12.519 13.491 ( -32.319 -6.701 -2.867) 33.131 13.930 ( -10.601 17.475 -0.222) 20.440 14.565 ( 1.493 14.322 4.221) 15.005 75.093 ( 1.237 -0.014 -0.253) 1.262 75.229 ( 0.464 -0.917 0.119) 1.035 ======================= Grid point 600 (305/354) ======================= q-point: ( 0.15 0.18 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.745 ( -8.842 9.888 -17.029) 21.586 2.386 ( 9.632 13.438 12.583) 20.777 2.531 ( 16.308 10.387 -1.799) 19.419 2.862 ( 11.044 12.001 5.113) 17.092 3.572 ( -9.072 -8.316 -3.165) 12.707 3.772 ( 5.187 11.159 8.408) 14.904 4.289 ( 0.692 -6.773 -9.921) 12.032 4.649 ( 11.375 -8.998 -1.189) 14.553 4.784 ( 3.271 -4.440 -10.273) 11.660 5.019 ( 7.994 -10.951 5.247) 14.538 5.554 ( -11.410 -2.139 9.696) 15.125 6.352 ( -9.161 1.377 -3.891) 10.048 11.746 ( -24.975 -5.423 0.590) 25.563 12.615 ( -52.131 -9.434 2.614) 53.042 13.554 ( -17.389 24.879 -16.662) 34.626 14.772 ( 13.231 13.317 13.007) 22.838 75.129 ( 2.460 -0.183 -0.198) 2.475 75.247 ( 1.361 -0.887 0.005) 1.624 ======================= Grid point 601 (306/354) ======================= q-point: ( 0.23 0.18 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.536 ( -5.294 -1.446 -15.036) 16.006 2.627 ( 9.383 12.307 11.336) 19.184 2.827 ( 12.644 8.833 -1.419) 15.489 3.035 ( 3.922 14.423 5.813) 16.037 3.438 ( -2.682 -5.257 -4.413) 7.369 3.943 ( 10.016 7.171 0.242) 12.321 4.241 ( -1.702 -5.415 -7.737) 9.596 4.805 ( 3.055 -8.270 -2.787) 9.246 4.831 ( 5.023 -0.525 -8.878) 10.214 5.194 ( 7.108 -5.188 1.394) 8.910 5.340 ( -12.412 -3.565 13.881) 18.959 6.112 ( -12.952 2.309 -4.200) 13.810 11.032 ( -49.670 -11.207 4.714) 51.136 11.674 ( -33.033 -13.061 8.749) 36.583 13.241 ( -6.639 26.735 -20.955) 34.611 15.113 ( 15.298 8.253 11.904) 21.068 75.191 ( 3.636 -0.350 0.142) 3.656 75.286 ( 2.538 -0.837 -0.248) 2.684 ======================= Grid point 602 (307/354) ======================= q-point: ( 0.31 0.18 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.494 ( 6.764 -10.928 -8.401) 15.354 2.795 ( 0.674 8.961 14.602) 17.145 2.992 ( 5.157 9.086 0.464) 10.457 3.160 ( 9.806 16.125 -2.666) 19.060 3.397 ( 0.892 -4.444 -11.366) 12.236 4.118 ( 4.111 -0.525 -3.693) 5.551 4.217 ( 3.017 2.118 -1.661) 4.043 4.731 ( -8.839 -1.168 -0.330) 8.922 4.906 ( 4.457 -0.885 -6.628) 8.036 5.160 ( -5.580 2.670 6.045) 8.649 5.336 ( 3.053 -7.005 5.918) 9.665 5.826 ( -12.484 -0.137 -5.210) 13.528 9.985 ( -48.608 -3.412 5.325) 49.018 11.346 ( -7.221 -23.841 15.418) 29.296 13.126 ( 1.004 23.931 -17.637) 29.744 15.443 ( 13.418 1.949 8.161) 15.825 75.273 ( 4.147 -0.473 0.668) 4.228 75.345 ( 3.307 -0.775 -0.650) 3.458 ======================= Grid point 603 (308/354) ======================= q-point: ( 0.38 0.18 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.756 ( 19.888 -12.846 -7.009) 24.692 2.719 ( -12.069 4.226 18.338) 22.356 3.127 ( 9.053 7.539 -8.254) 14.385 3.337 ( 7.004 11.489 -4.059) 14.054 3.462 ( 10.518 1.293 -11.402) 15.566 4.061 ( -9.022 -5.267 -1.459) 10.548 4.250 ( -1.743 4.820 3.625) 6.278 4.572 ( -5.105 7.594 0.473) 9.162 4.959 ( 3.714 1.766 -6.082) 7.342 5.116 ( -1.719 5.146 4.364) 6.963 5.369 ( -1.329 -4.794 5.255) 7.236 5.627 ( -4.726 -6.737 -5.490) 9.893 9.221 ( -28.106 2.703 5.148) 28.701 11.390 ( 4.198 -28.761 15.333) 32.862 13.129 ( 3.321 20.100 -10.812) 23.064 15.695 ( 9.063 -4.099 4.306) 10.839 75.355 ( 3.386 -0.527 1.164) 3.619 75.407 ( 2.895 -0.737 -1.075) 3.175 ======================= Grid point 604 (309/354) ======================= q-point: ( 0.46 0.18 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.094 ( 8.551 -14.286 -5.901) 17.664 2.547 ( -4.952 3.804 16.164) 17.328 3.302 ( 10.530 6.032 -8.151) 14.619 3.389 ( -1.771 7.010 -4.603) 8.571 3.673 ( 12.358 0.401 -9.638) 15.677 3.762 ( -18.148 -5.458 6.204) 19.940 4.266 ( 2.624 9.004 0.324) 9.385 4.479 ( -3.552 13.587 0.295) 14.046 5.034 ( 0.865 -1.980 -2.249) 3.119 5.075 ( 0.437 12.564 -0.865) 12.602 5.375 ( 0.655 -6.861 5.602) 8.882 5.557 ( -2.129 -9.877 -3.350) 10.644 8.876 ( -7.712 6.129 2.771) 10.233 11.537 ( 4.502 -29.273 9.718) 31.171 13.155 ( 1.104 16.456 -4.170) 17.012 15.832 ( 3.410 -8.691 1.499) 9.455 75.409 ( 1.422 -0.535 1.401) 2.067 75.445 ( 1.068 -0.736 -1.322) 1.852 ======================= Grid point 605 (310/354) ======================= q-point: (-0.46 0.18 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.941 ( -16.895 -14.635 9.115) 24.139 2.722 ( 12.115 3.681 1.559) 12.757 3.194 ( -14.338 1.787 -2.077) 14.597 3.400 ( -6.011 3.876 3.066) 7.782 3.506 ( -3.640 2.084 0.257) 4.202 3.879 ( 10.143 -0.441 -5.253) 11.431 4.310 ( 3.126 9.231 -4.226) 10.623 4.507 ( 5.491 13.882 -2.403) 15.120 4.936 ( -5.860 5.862 4.116) 9.255 5.164 ( 4.946 4.434 -6.245) 9.117 5.411 ( 0.653 -6.217 4.964) 7.983 5.501 ( -2.093 -10.849 -0.713) 11.072 8.916 ( 11.193 6.514 -1.077) 12.995 11.599 ( -0.698 -27.310 2.650) 27.447 13.125 ( -3.557 13.750 -0.120) 14.203 15.844 ( -2.353 -10.794 -0.031) 11.048 75.418 ( -1.101 -0.615 1.358) 1.854 75.437 ( -1.342 -0.684 -1.346) 2.020 ======================= Grid point 606 (311/354) ======================= q-point: (-0.38 0.18 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.646 ( -13.226 -18.190 4.127) 22.865 2.846 ( -5.833 5.381 13.181) 15.386 2.995 ( 0.925 1.255 -3.357) 3.701 3.219 ( -10.934 3.576 10.957) 15.886 3.428 ( -3.976 11.199 -10.442) 15.820 4.025 ( 3.549 0.123 1.812) 3.987 4.374 ( 2.028 6.316 -8.771) 10.997 4.584 ( 3.992 7.215 -0.853) 8.290 4.895 ( 0.569 4.043 0.511) 4.115 5.200 ( 1.419 4.280 -4.153) 6.130 5.422 ( -1.610 -5.061 5.945) 7.972 5.533 ( 7.011 -9.416 -1.764) 11.871 9.323 ( 30.253 4.396 -4.707) 30.931 11.550 ( -3.020 -23.900 -2.436) 24.213 13.019 ( -6.690 12.820 2.268) 14.638 15.742 ( -7.375 -9.847 -1.126) 12.354 75.370 ( -3.761 -0.728 0.146) 3.834 75.393 ( -2.515 -0.608 -0.204) 2.596 ======================= Grid point 607 (312/354) ======================= q-point: (-0.31 0.18 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.427 ( -9.009 -16.018 -1.223) 18.418 2.799 ( -4.425 4.282 14.286) 15.557 2.965 ( -5.545 15.774 -1.992) 16.838 3.094 ( -2.863 -3.548 13.656) 14.397 3.352 ( 0.787 8.187 -11.810) 14.392 3.987 ( -9.240 6.069 8.614) 14.015 4.295 ( -3.466 3.197 -8.953) 10.119 4.708 ( 5.357 -1.506 1.469) 5.755 4.871 ( -3.071 -2.066 -2.038) 4.225 5.241 ( 2.194 5.314 -2.975) 6.474 5.419 ( 1.940 -4.083 1.393) 4.730 5.760 ( 14.995 -5.893 -1.310) 16.164 10.114 ( 49.478 0.262 -7.126) 49.989 11.523 ( 3.048 -17.609 -3.187) 18.153 12.911 ( -3.868 13.433 5.077) 14.872 15.546 ( -11.113 -6.043 -2.920) 12.983 75.282 ( -4.591 -0.579 -0.166) 4.631 75.337 ( -2.918 -0.762 0.091) 3.017 ======================= Grid point 608 (313/354) ======================= q-point: (-0.23 0.18 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.316 ( -1.749 -4.963 7.305) 9.003 2.642 ( -14.060 10.123 11.295) 20.682 2.808 ( -7.807 19.291 -5.424) 21.506 3.216 ( 6.114 -5.310 1.749) 8.285 3.306 ( -3.033 -1.112 -1.322) 3.490 3.791 ( -10.810 12.653 13.483) 21.418 4.223 ( -1.529 -1.956 -4.107) 4.799 4.750 ( -2.830 -8.525 2.979) 9.464 4.790 ( -2.523 -2.108 -4.001) 5.179 5.193 ( -5.476 -1.347 0.076) 5.639 5.541 ( 8.567 -0.402 -3.911) 9.426 6.085 ( 16.674 -3.553 -3.268) 17.358 11.157 ( 47.555 -6.105 -7.962) 48.602 11.757 ( 26.481 -6.219 1.595) 27.249 12.952 ( 6.928 14.233 7.679) 17.594 15.283 ( -13.055 -0.189 -5.753) 14.267 75.193 ( -3.947 -0.367 -0.074) 3.965 75.283 ( -2.320 -0.895 0.066) 2.488 ======================= Grid point 609 (314/354) ======================= q-point: (-0.15 0.18 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.419 ( 7.378 7.849 15.947) 19.244 2.362 ( -16.460 13.594 10.743) 23.899 2.619 ( -8.301 17.818 -9.379) 21.780 3.040 ( -13.222 6.216 -10.252) 17.848 3.419 ( 4.184 -11.353 14.332) 18.756 3.713 ( -0.968 13.374 10.408) 16.974 4.197 ( -0.852 -5.133 1.041) 5.306 4.628 ( -8.991 -14.090 4.819) 17.395 4.746 ( -0.718 0.444 -9.579) 9.616 5.063 ( -6.560 -7.838 -0.816) 10.253 5.685 ( 6.117 -0.980 -1.457) 6.364 6.371 ( 12.714 -2.678 -6.899) 14.711 11.720 ( 16.810 2.539 3.890) 17.440 12.680 ( 50.744 -7.617 -3.242) 51.415 13.278 ( 22.812 14.246 9.431) 28.500 14.993 ( -12.712 6.508 -8.972) 16.866 75.127 ( -2.567 -0.136 0.037) 2.571 75.246 ( -1.306 -0.957 0.074) 1.620 ======================= Grid point 610 (315/354) ======================= q-point: (-0.08 0.18 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.677 ( 11.377 15.010 16.692) 25.167 2.093 ( -12.543 14.397 11.184) 22.129 2.428 ( -6.034 17.805 -11.732) 22.160 2.731 ( -13.090 9.000 -9.321) 18.418 3.526 ( 0.480 -0.014 23.067) 23.072 3.796 ( 6.553 2.595 1.976) 7.320 4.176 ( -2.716 -5.999 1.359) 6.724 4.451 ( -8.241 -16.427 1.737) 18.460 4.701 ( -0.148 -0.929 -8.929) 8.978 4.942 ( -4.501 -11.909 -2.578) 12.990 5.773 ( 2.369 -2.513 1.957) 3.970 6.539 ( 6.543 -2.212 -9.119) 11.440 12.017 ( 10.631 11.932 8.230) 17.976 13.443 ( 25.692 -3.122 1.326) 25.914 13.856 ( 24.150 6.594 4.510) 25.437 14.735 ( -8.346 12.020 -10.316) 17.904 75.090 ( -1.128 0.042 0.043) 1.130 75.229 ( -0.496 -0.959 0.122) 1.086 ======================= Grid point 611 (316/354) ======================= q-point: ( 0.00 0.27 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.233 ( 7.697 12.924 7.620) 16.862 2.247 ( -3.250 14.300 7.066) 16.279 2.641 ( -0.580 8.762 -4.404) 9.823 2.865 ( -3.921 25.697 -6.651) 26.832 3.666 ( 12.294 -6.745 12.488) 18.777 3.801 ( -10.480 -13.885 -0.698) 17.410 4.011 ( -2.478 8.942 6.896) 11.561 4.129 ( 4.218 -7.104 -0.393) 8.272 4.583 ( -2.018 -7.843 -0.013) 8.098 4.772 ( 1.289 3.083 -13.291) 13.704 5.636 ( -1.842 -11.161 4.497) 12.173 6.413 ( 0.538 -14.046 -6.437) 15.460 12.485 ( 0.675 16.258 1.191) 16.316 13.687 ( 0.977 -7.443 0.868) 7.557 14.324 ( 3.626 16.952 8.074) 19.123 14.851 ( -2.426 9.950 -4.273) 11.097 75.084 ( 0.075 0.382 -0.093) 0.400 75.202 ( 0.002 -1.288 0.113) 1.293 ======================= Grid point 612 (317/354) ======================= q-point: ( 0.08 0.27 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.197 ( -4.263 11.260 -3.948) 12.671 2.461 ( 11.805 12.735 4.091) 17.840 2.544 ( -3.262 12.756 0.140) 13.167 2.945 ( 9.609 20.030 2.030) 22.308 3.557 ( -9.476 -11.202 -4.604) 15.378 3.958 ( 3.959 9.745 14.808) 18.163 4.061 ( 9.768 -8.763 -1.481) 13.206 4.217 ( 5.777 -5.600 -5.464) 9.726 4.616 ( 4.302 -10.132 6.098) 12.584 4.768 ( 2.776 3.487 -12.104) 12.898 5.581 ( -5.367 -9.703 6.180) 12.695 6.367 ( -3.058 -13.087 -4.788) 14.267 12.295 ( -19.917 11.167 0.181) 22.834 13.331 ( -34.078 -8.337 -0.026) 35.083 14.325 ( -6.311 19.878 -6.481) 21.840 14.838 ( 3.654 11.968 4.242) 13.213 75.095 ( 1.066 0.283 -0.193) 1.120 75.207 ( 0.509 -1.258 0.046) 1.358 ======================= Grid point 613 (318/354) ======================= q-point: ( 0.15 0.27 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.949 ( -14.469 10.641 -16.942) 24.691 2.617 ( 7.044 9.181 12.910) 17.337 2.755 ( 14.506 11.382 0.823) 18.457 3.169 ( 10.453 15.760 3.381) 19.212 3.379 ( -5.955 -8.558 -7.273) 12.712 4.022 ( 1.381 6.261 6.193) 8.914 4.196 ( 3.552 3.069 -5.432) 7.179 4.403 ( 11.883 -12.511 -1.382) 17.310 4.780 ( 8.784 -11.967 7.409) 16.591 4.805 ( 4.524 4.321 -9.543) 11.411 5.464 ( -8.388 -6.377 8.016) 13.239 6.259 ( -6.122 -10.125 -4.156) 12.540 11.707 ( -37.503 1.303 4.221) 37.762 12.423 ( -52.988 -9.295 3.513) 53.912 14.065 ( -11.290 24.852 -21.793) 34.929 15.016 ( 10.059 9.911 7.167) 15.836 75.128 ( 2.251 0.084 -0.161) 2.258 75.225 ( 1.427 -1.206 -0.078) 1.870 ======================= Grid point 614 (319/354) ======================= q-point: ( 0.23 0.27 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.593 ( -12.765 7.578 -17.233) 22.745 2.833 ( 8.677 7.475 13.495) 17.700 3.009 ( 9.477 8.623 -0.020) 12.813 3.265 ( -2.456 -7.351 -10.160) 12.779 3.355 ( 6.778 13.051 1.221) 14.757 4.066 ( 1.630 -0.659 0.820) 1.940 4.263 ( 5.262 11.427 -1.337) 12.651 4.593 ( 7.028 -11.237 -1.751) 13.369 4.868 ( 4.351 3.652 -9.009) 10.650 4.981 ( 6.612 -12.900 9.608) 17.391 5.316 ( -7.478 -0.801 6.519) 9.953 6.081 ( -10.169 -5.627 -5.187) 12.727 10.858 ( -48.251 -5.587 9.350) 49.465 11.413 ( -42.711 -12.314 9.846) 45.529 13.797 ( -6.148 27.467 -27.251) 39.178 15.246 ( 10.407 4.105 2.900) 11.557 75.186 ( 3.467 -0.134 0.065) 3.470 75.266 ( 2.623 -1.123 -0.285) 2.867 ======================= Grid point 615 (320/354) ======================= q-point: ( 0.31 0.27 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.420 ( 3.204 4.413 -13.770) 14.810 2.983 ( -2.551 9.061 15.897) 18.475 3.128 ( 4.572 2.430 -10.419) 11.635 3.234 ( 5.051 -7.279 -8.354) 12.177 3.474 ( 5.849 11.933 -1.330) 13.356 4.083 ( -0.985 -1.998 0.879) 2.395 4.379 ( 3.869 10.760 2.744) 11.759 4.672 ( 1.202 -4.428 2.599) 5.273 4.901 ( 2.219 0.834 -6.727) 7.133 5.061 ( -0.005 -9.013 7.495) 11.723 5.293 ( 3.576 1.042 0.141) 3.727 5.813 ( -14.066 -1.974 -5.658) 15.289 9.928 ( -42.679 -1.783 10.125) 43.900 10.875 ( -16.332 -21.860 17.582) 32.460 13.638 ( -0.942 26.116 -25.237) 36.329 15.441 ( 8.389 -2.680 -1.755) 8.980 75.265 ( 4.063 -0.316 0.434) 4.099 75.327 ( 3.377 -1.018 -0.578) 3.574 ======================= Grid point 616 (321/354) ======================= q-point: ( 0.38 0.27 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.630 ( 19.238 1.286 -12.176) 22.803 2.831 ( -14.050 5.517 15.132) 21.373 3.195 ( 7.428 1.053 -15.064) 16.829 3.386 ( 9.268 -5.011 -5.997) 12.122 3.574 ( 3.214 7.497 -1.881) 8.371 3.976 ( -10.531 -3.052 3.751) 11.588 4.408 ( 0.267 8.661 7.548) 11.492 4.727 ( 2.697 6.203 3.359) 7.552 4.947 ( 3.940 -0.600 -7.355) 8.365 5.112 ( 3.807 -4.953 2.794) 6.843 5.356 ( 1.020 1.936 0.790) 2.326 5.516 ( -11.912 -3.106 -5.330) 13.414 9.288 ( -23.552 4.022 8.884) 25.491 10.793 ( -0.207 -28.973 18.756) 34.514 13.571 ( 1.125 23.188 -18.446) 29.651 15.566 ( 4.892 -8.869 -4.576) 11.115 75.344 ( 3.391 -0.438 0.802) 3.512 75.390 ( 2.909 -0.922 -0.878) 3.176 ======================= Grid point 617 (322/354) ======================= q-point: ( 0.46 0.27 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.920 ( 6.084 -2.229 -6.278) 9.022 2.654 ( -3.964 5.850 14.415) 16.054 3.329 ( 9.479 0.141 -14.173) 17.051 3.436 ( -8.969 -12.299 -1.269) 15.275 3.548 ( -0.967 4.548 -1.951) 5.043 3.832 ( -0.950 2.582 3.040) 4.100 4.494 ( 4.933 11.812 3.870) 13.373 4.759 ( 0.019 12.381 2.373) 12.606 4.968 ( -0.053 -4.219 -4.145) 5.914 5.228 ( 5.038 -4.793 1.714) 7.162 5.297 ( -3.466 4.432 -1.824) 5.915 5.368 ( -3.380 -5.140 -2.151) 6.517 9.019 ( -6.028 7.908 5.515) 11.371 10.904 ( 3.883 -31.865 13.201) 34.709 13.532 ( -0.752 20.420 -10.017) 22.757 15.607 ( 0.851 -13.409 -4.557) 14.187 75.398 ( 1.434 -0.523 1.009) 1.830 75.429 ( 1.061 -0.850 -1.062) 1.725 ======================= Grid point 618 (323/354) ======================= q-point: (-0.46 0.27 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.749 ( -18.921 -3.374 10.550) 21.925 2.805 ( 10.502 1.852 2.656) 10.990 3.110 ( -17.092 -4.819 7.655) 19.338 3.441 ( -1.174 -0.932 -5.602) 5.799 3.555 ( 4.600 3.223 -2.456) 6.130 3.910 ( 6.794 1.270 -3.886) 7.930 4.553 ( 0.350 13.691 -1.881) 13.824 4.795 ( 2.407 12.997 -0.921) 13.250 4.933 ( -1.981 -4.239 -0.953) 4.775 5.241 ( 0.833 -9.102 2.986) 9.615 5.271 ( -4.728 -2.792 -1.510) 5.695 5.355 ( 3.943 3.431 -1.387) 5.408 9.069 ( 9.820 8.507 0.734) 13.013 10.993 ( 1.644 -31.065 4.031) 31.369 13.456 ( -4.745 18.635 -1.963) 19.330 15.575 ( -2.782 -15.586 -1.799) 15.934 75.405 ( -1.195 -0.648 0.881) 1.620 75.422 ( -1.274 -0.753 -0.944) 1.755 ======================= Grid point 619 (324/354) ======================= q-point: (-0.38 0.27 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.402 ( -16.257 -4.640 11.071) 20.208 2.786 ( -10.645 -11.730 14.707) 21.615 3.042 ( 2.388 7.683 10.148) 12.951 3.355 ( -2.507 6.368 -8.506) 10.917 3.598 ( -0.894 4.684 -3.801) 6.098 4.045 ( 6.648 1.118 -2.788) 7.295 4.548 ( 0.014 10.349 -5.906) 11.915 4.761 ( -4.575 9.391 0.392) 10.453 4.887 ( -2.663 -3.160 -2.489) 4.824 5.187 ( -0.113 -8.995 -4.713) 10.156 5.341 ( 1.289 -2.826 6.106) 6.850 5.426 ( 8.097 1.717 -0.156) 8.278 9.429 ( 26.792 6.047 -4.687) 27.863 11.020 ( 2.490 -26.985 -4.535) 27.477 13.338 ( -6.930 18.421 5.793) 20.516 15.490 ( -5.529 -14.966 1.980) 16.077 75.355 ( -3.623 -0.666 0.002) 3.684 75.379 ( -2.681 -0.771 -0.071) 2.791 ======================= Grid point 620 (325/354) ======================= q-point: (-0.31 0.27 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.231 ( -2.837 -1.917 5.598) 6.562 2.746 ( 1.011 -11.348 20.285) 23.265 3.019 ( -8.100 4.200 15.015) 17.570 3.290 ( -2.279 11.693 -11.431) 16.510 3.531 ( -2.913 6.758 -5.862) 9.408 4.112 ( -0.101 5.048 0.650) 5.090 4.434 ( -8.670 9.513 -4.622) 13.676 4.690 ( -3.865 0.914 1.301) 4.179 4.816 ( -2.965 -2.329 -0.545) 3.810 5.248 ( 0.878 -11.762 -7.465) 13.958 5.313 ( 4.135 1.617 -3.393) 5.588 5.685 ( 13.583 -2.452 6.565) 15.284 10.130 ( 44.592 1.525 -9.706) 45.662 11.135 ( 12.978 -19.556 -8.401) 24.928 13.253 ( -3.672 19.887 13.769) 24.465 15.370 ( -7.267 -11.459 4.348) 14.249 75.271 ( -4.367 -0.460 -0.175) 4.394 75.319 ( -3.113 -0.975 0.139) 3.265 ======================= Grid point 621 (326/354) ======================= q-point: (-0.23 0.27 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.329 ( 9.467 6.580 9.599) 15.002 2.825 ( -8.106 6.902 10.217) 14.756 2.949 ( 4.113 -13.646 18.024) 22.978 3.146 ( -8.155 12.443 -9.553) 17.681 3.433 ( -5.683 7.941 -5.190) 11.059 4.064 ( -4.736 10.589 6.623) 13.357 4.247 ( -7.450 5.925 -3.253) 10.059 4.566 ( -8.555 -7.670 1.247) 11.558 4.788 ( 0.385 1.937 -1.649) 2.573 5.098 ( -9.320 -8.034 -4.040) 12.951 5.489 ( 9.216 -3.724 -8.248) 12.917 5.984 ( 13.670 -7.064 3.592) 15.801 11.068 ( 46.302 -2.526 -12.150) 47.936 11.581 ( 36.652 -9.997 -5.909) 38.448 13.324 ( 5.740 21.627 20.061) 30.051 15.230 ( -7.875 -5.529 3.878) 10.374 75.187 ( -3.680 -0.186 -0.087) 3.686 75.262 ( -2.456 -1.159 0.132) 2.719 ======================= Grid point 622 (327/354) ======================= q-point: (-0.15 0.27 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.633 ( 14.866 12.931 14.971) 24.745 2.625 ( -12.710 12.258 8.457) 19.579 2.907 ( -10.569 9.386 -11.583) 18.275 3.148 ( 7.580 -12.594 14.180) 20.424 3.264 ( -8.757 13.195 -4.707) 16.521 4.009 ( -3.048 11.065 10.781) 15.747 4.119 ( -5.013 0.170 0.336) 5.027 4.366 ( -11.550 -10.382 1.848) 15.640 4.795 ( 1.084 4.668 -7.867) 9.211 4.885 ( -9.418 -9.353 -4.573) 14.039 5.593 ( 3.517 -7.453 -3.094) 8.803 6.235 ( 10.453 -10.750 -2.675) 15.231 11.795 ( 30.438 4.820 -4.236) 31.107 12.514 ( 49.557 -8.317 -5.519) 50.553 13.635 ( 17.516 20.222 20.671) 33.809 15.082 ( -7.421 1.572 0.616) 7.611 75.126 ( -2.313 0.099 0.001) 2.315 75.223 ( -1.359 -1.265 0.128) 1.861 ======================= Grid point 623 (328/354) ======================= q-point: (-0.08 0.27 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.976 ( 12.943 14.546 14.705) 24.399 2.396 ( -11.793 15.007 7.665) 20.568 2.697 ( -5.127 9.384 -9.701) 14.438 3.050 ( -9.385 20.055 -7.413) 23.351 3.378 ( 10.361 -11.276 13.435) 20.371 3.994 ( -5.613 5.376 9.216) 12.055 4.044 ( -1.282 -2.286 2.551) 3.657 4.138 ( -9.506 -9.846 2.425) 13.899 4.684 ( -6.556 -6.238 -5.678) 10.683 4.796 ( 0.640 2.347 -10.829) 11.099 5.632 ( 0.859 -10.602 1.715) 10.774 6.379 ( 5.295 -13.140 -6.319) 15.513 12.286 ( 17.666 13.987 1.743) 22.600 13.337 ( 30.789 -6.653 -0.830) 31.511 14.086 ( 17.294 14.905 14.456) 27.022 14.942 ( -5.514 7.673 -3.704) 10.149 75.093 ( -0.982 0.315 0.003) 1.031 75.206 ( -0.492 -1.297 0.134) 1.394 ======================= Grid point 624 (329/354) ======================= q-point: ( 0.00 0.36 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.500 ( 7.303 13.060 5.143) 15.823 2.527 ( -5.032 13.221 4.635) 14.886 2.844 ( -0.735 11.031 -0.701) 11.078 3.270 ( -3.949 9.770 0.564) 10.553 3.467 ( 15.012 -10.692 3.912) 18.841 3.527 ( -8.355 -11.587 -2.658) 14.530 3.943 ( -0.437 -2.083 -1.307) 2.498 4.365 ( -0.047 15.179 12.104) 19.414 4.432 ( -2.051 -5.341 -5.200) 7.731 4.911 ( 0.154 9.974 -11.264) 15.046 5.369 ( -0.945 -14.203 4.558) 14.946 6.047 ( 0.075 -20.985 -5.331) 21.652 12.812 ( -0.241 15.364 0.125) 15.366 13.523 ( -0.253 -8.725 0.208) 8.731 14.656 ( 5.811 15.000 9.678) 18.773 15.005 ( -0.817 4.809 -0.932) 4.966 75.096 ( 0.059 0.791 -0.075) 0.796 75.173 ( 0.027 -1.472 0.065) 1.473 ======================= Grid point 625 (330/354) ======================= q-point: ( 0.08 0.36 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.423 ( -5.498 11.100 -2.375) 12.613 2.710 ( 7.687 10.673 4.693) 13.965 2.790 ( -1.587 12.125 -0.359) 12.234 3.230 ( -0.712 1.145 4.501) 4.698 3.404 ( -0.264 0.432 -7.423) 7.441 3.813 ( 15.774 -12.863 0.276) 20.356 3.954 ( 2.218 -2.270 -0.561) 3.223 4.412 ( 1.058 5.242 1.050) 5.449 4.444 ( 3.786 3.553 7.846) 9.408 4.904 ( 2.649 9.807 -8.149) 13.023 5.348 ( -2.696 -12.577 4.688) 13.690 6.017 ( -1.305 -20.242 -3.453) 20.576 12.536 ( -27.021 11.968 1.006) 29.570 13.158 ( -34.444 -8.711 0.993) 35.542 14.699 ( -2.757 16.336 -7.694) 18.267 15.028 ( 4.045 6.330 2.205) 7.829 75.105 ( 0.903 0.710 -0.157) 1.159 75.179 ( 0.572 -1.435 -0.028) 1.545 ======================= Grid point 626 (331/354) ======================= q-point: ( 0.15 0.36 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.187 ( -14.573 12.758 -13.058) 23.359 2.752 ( 1.888 2.937 10.660) 11.217 2.963 ( 10.272 7.744 -3.383) 13.302 3.234 ( 1.022 -0.194 -1.700) 1.992 3.450 ( 5.089 6.080 -3.983) 8.873 3.968 ( 2.306 -5.168 3.831) 6.834 4.145 ( 13.524 -8.599 -3.599) 16.425 4.464 ( 2.586 8.675 5.347) 10.513 4.576 ( 7.085 -2.516 5.152) 9.114 4.953 ( 4.075 10.419 -6.664) 13.021 5.304 ( -3.177 -9.296 6.180) 11.606 5.972 ( -2.185 -17.233 -3.198) 17.663 11.780 ( -46.310 5.443 5.231) 46.922 12.241 ( -53.802 -8.697 4.201) 54.662 14.539 ( -6.441 21.233 -21.473) 30.877 15.149 ( 6.379 2.754 -0.690) 6.983 75.134 ( 2.026 0.520 -0.163) 2.098 75.199 ( 1.524 -1.353 -0.148) 2.043 ======================= Grid point 627 (332/354) ======================= q-point: ( 0.23 0.36 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.838 ( -12.747 15.892 -15.529) 25.616 2.855 ( 4.551 -8.649 2.335) 10.049 3.079 ( 4.193 2.649 -8.726) 10.037 3.289 ( 2.839 9.298 5.373) 11.108 3.533 ( 4.342 2.586 -4.594) 6.830 4.032 ( 1.764 -1.682 6.622) 7.057 4.363 ( 8.886 -7.674 -2.243) 11.953 4.546 ( 3.194 8.454 8.003) 12.071 4.743 ( 6.602 -5.592 5.882) 10.462 5.002 ( 3.419 8.741 -9.106) 13.078 5.275 ( -1.197 -3.087 5.222) 6.183 5.892 ( -4.867 -12.417 -4.800) 14.174 10.806 ( -50.295 0.326 11.183) 51.524 11.181 ( -48.547 -10.450 9.997) 50.656 14.335 ( -4.778 24.901 -28.108) 37.854 15.258 ( 5.533 -3.278 -7.216) 9.666 75.187 ( 3.266 0.293 -0.045) 3.279 75.242 ( 2.741 -1.232 -0.295) 3.020 ======================= Grid point 628 (333/354) ======================= q-point: ( 0.31 0.36 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.658 ( 1.980 17.741 -15.990) 23.965 2.902 ( 2.767 -16.332 -19.578) 25.645 3.148 ( 2.748 6.451 9.461) 11.776 3.331 ( -0.191 9.419 4.456) 10.421 3.599 ( 3.440 0.581 -3.964) 5.280 4.043 ( -3.913 -3.122 6.222) 7.985 4.478 ( 1.469 -2.286 6.336) 6.894 4.636 ( 2.875 -0.582 9.316) 9.767 4.879 ( 6.958 1.429 0.603) 7.129 5.038 ( 3.256 6.430 -10.145) 12.444 5.303 ( 2.837 -0.185 0.776) 2.947 5.725 ( -9.998 -6.865 -5.269) 13.224 9.925 ( -38.447 1.732 13.775) 40.877 10.477 ( -24.972 -17.081 17.333) 34.868 14.168 ( -1.993 25.649 -28.223) 38.188 15.320 ( 3.793 -9.436 -11.964) 15.703 75.262 ( 3.933 0.084 0.172) 3.937 75.305 ( 3.488 -1.088 -0.469) 3.684 ======================= Grid point 629 (334/354) ======================= q-point: ( 0.38 0.36 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.803 ( 15.324 14.697 -15.434) 26.250 2.836 ( -4.286 -7.632 -9.992) 13.284 3.220 ( 1.348 3.008 8.561) 9.174 3.359 ( 2.986 4.043 -4.419) 6.692 3.614 ( -1.745 -3.206 -2.866) 4.641 3.915 ( -9.065 -4.135 7.765) 12.632 4.525 ( 2.470 2.290 9.801) 10.364 4.737 ( 4.375 -4.792 5.707) 8.642 5.023 ( 3.560 7.517 -6.584) 10.609 5.067 ( 5.744 2.595 -5.425) 8.316 5.362 ( 1.360 -0.732 -1.265) 1.997 5.488 ( -9.873 -1.513 -2.720) 10.352 9.391 ( -19.197 6.367 12.746) 23.906 10.249 ( -5.757 -23.964 19.285) 31.294 14.058 ( -0.588 24.421 -22.679) 33.333 15.329 ( 1.385 -14.434 -13.110) 19.548 75.339 ( 3.331 -0.088 0.402) 3.356 75.371 ( 2.982 -0.941 -0.632) 3.190 ======================= Grid point 630 (335/354) ======================= q-point: ( 0.46 0.36 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.002 ( 2.683 9.522 -6.391) 11.778 2.719 ( -3.506 -1.817 5.028) 6.393 3.247 ( -5.144 -3.398 5.289) 8.123 3.364 ( 3.146 3.104 -10.995) 11.850 3.563 ( -0.141 -2.914 -1.609) 3.332 3.822 ( -1.413 -3.863 3.552) 5.435 4.655 ( 6.276 2.417 8.048) 10.489 4.841 ( 4.038 -4.797 2.898) 6.908 4.985 ( -2.761 6.350 -4.768) 8.407 5.143 ( -1.343 0.513 -7.468) 7.605 5.297 ( -0.824 1.193 -0.755) 1.635 5.424 ( 0.086 2.593 0.173) 2.600 9.200 ( -4.147 10.134 8.714) 13.994 10.289 ( 2.145 -27.861 14.218) 31.353 13.973 ( -2.061 22.739 -13.750) 26.652 15.290 ( -1.273 -17.775 -10.059) 20.463 75.390 ( 1.390 -0.239 0.539) 1.510 75.412 ( 1.108 -0.803 -0.715) 1.544 ======================= Grid point 631 (336/354) ======================= q-point: (-0.46 0.36 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.810 ( -19.028 8.799 12.538) 24.428 2.679 ( -7.868 -12.519 8.811) 17.213 3.164 ( 0.115 8.427 8.115) 11.700 3.436 ( 4.703 1.281 -12.442) 13.363 3.571 ( 2.053 -1.869 -2.127) 3.497 3.881 ( 6.356 -4.642 -2.132) 8.154 4.778 ( 2.554 -0.446 6.103) 6.630 4.832 ( -3.584 3.408 -9.652) 10.846 4.990 ( 1.804 -4.014 7.356) 8.572 5.047 ( -2.452 4.173 -7.416) 8.856 5.287 ( -1.450 2.440 0.199) 2.846 5.437 ( 1.098 2.331 -1.058) 2.785 9.264 ( 8.451 10.885 2.674) 14.038 10.385 ( 3.872 -27.823 4.664) 28.476 13.871 ( -5.177 21.834 -3.387) 22.694 15.217 ( -3.426 -19.515 -3.347) 20.094 75.394 ( -1.237 -0.375 0.414) 1.358 75.408 ( -1.253 -0.687 -0.547) 1.530 ======================= Grid point 632 (337/354) ======================= q-point: (-0.38 0.36 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.472 ( -16.569 10.697 18.536) 27.065 2.501 ( -10.942 -15.707 19.997) 27.682 3.211 ( -2.069 8.045 9.860) 12.893 3.471 ( 4.270 5.821 -13.224) 15.066 3.619 ( 1.650 -1.859 -2.613) 3.607 4.027 ( 7.971 -3.830 -3.495) 9.509 4.721 ( -3.675 0.709 -8.854) 9.612 4.825 ( 1.152 4.719 1.726) 5.156 4.945 ( -2.563 -3.137 -4.681) 6.191 5.003 ( -4.974 3.262 1.304) 6.089 5.312 ( 1.994 -0.492 3.557) 4.107 5.462 ( 3.345 -0.100 -0.111) 3.348 9.572 ( 22.964 8.300 -4.657) 24.858 10.497 ( 8.547 -23.733 -5.294) 25.775 13.755 ( -6.305 22.298 7.730) 24.427 15.138 ( -4.437 -19.552 4.868) 20.632 75.345 ( -3.450 -0.327 -0.066) 3.466 75.363 ( -2.873 -0.760 -0.018) 2.972 ======================= Grid point 633 (338/354) ======================= q-point: (-0.31 0.36 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.357 ( 0.369 13.159 15.035) 19.984 2.454 ( -0.723 -16.266 24.507) 29.423 3.141 ( -6.930 6.644 8.343) 12.719 3.483 ( -0.564 7.272 -9.307) 11.824 3.589 ( -3.232 0.100 -2.485) 4.078 4.135 ( 2.750 -4.110 -1.360) 5.129 4.579 ( -8.265 3.960 -6.387) 11.171 4.809 ( -6.995 10.017 -6.063) 13.639 4.849 ( -1.515 6.743 8.064) 10.620 4.990 ( 2.758 -11.843 -10.311) 15.943 5.325 ( 1.850 -0.622 -1.389) 2.395 5.605 ( 7.750 -6.147 6.581) 11.881 10.182 ( 40.018 3.732 -11.442) 41.788 10.762 ( 22.185 -16.510 -10.829) 29.698 13.701 ( -2.629 23.745 18.542) 30.241 15.077 ( -4.149 -17.306 11.300) 21.080 75.265 ( -4.105 -0.090 -0.137) 4.109 75.298 ( -3.340 -0.991 0.131) 3.486 ======================= Grid point 634 (339/354) ======================= q-point: (-0.23 0.36 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.562 ( 13.633 15.285 12.790) 24.147 2.609 ( 7.076 -16.285 20.173) 26.874 3.010 ( -8.124 8.011 5.989) 12.886 3.358 ( -9.079 9.825 -4.751) 14.196 3.513 ( -3.065 -1.429 -2.055) 3.957 4.120 ( -4.291 -6.946 2.905) 8.666 4.359 ( -10.788 6.168 -5.433) 13.563 4.631 ( -8.683 13.432 -0.881) 16.018 4.858 ( -2.534 -0.963 0.236) 2.721 4.924 ( -2.123 -1.799 -7.393) 7.899 5.402 ( 4.191 -4.914 -6.716) 9.318 5.787 ( 8.192 -12.163 5.374) 15.619 11.054 ( 47.219 1.010 -13.973) 49.254 11.381 ( 43.282 -9.234 -9.540) 45.272 13.799 ( 5.024 24.438 25.720) 35.832 15.048 ( -3.014 -12.490 13.346) 18.525 75.187 ( -3.383 0.206 -0.059) 3.389 75.237 ( -2.632 -1.215 0.146) 2.903 ======================= Grid point 635 (340/354) ======================= q-point: (-0.15 0.36 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.927 ( 16.498 15.509 13.285) 26.253 2.818 ( 3.640 -8.894 10.637) 14.335 2.876 ( -2.785 6.139 2.964) 7.364 3.126 ( -11.467 9.895 1.820) 15.255 3.447 ( -2.875 0.981 -2.401) 3.872 3.993 ( -9.798 -12.656 6.617) 17.319 4.130 ( -9.130 6.601 -5.749) 12.648 4.469 ( -7.491 15.549 4.470) 17.829 4.696 ( -8.001 -8.969 -7.942) 14.406 4.948 ( 2.724 10.298 -5.474) 11.976 5.403 ( -1.539 -10.765 -2.601) 11.181 5.952 ( 6.813 -16.464 -1.864) 17.915 11.909 ( 40.317 6.268 -7.833) 41.547 12.349 ( 49.853 -7.942 -6.825) 50.941 14.071 ( 12.417 21.996 25.481) 35.879 15.040 ( -2.024 -5.933 10.332) 12.085 75.132 ( -2.043 0.498 0.006) 2.103 75.196 ( -1.453 -1.374 0.144) 2.005 ======================= Grid point 636 (341/354) ======================= q-point: (-0.08 0.36 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.268 ( 12.156 13.992 11.622) 21.877 2.691 ( -10.018 13.253 4.900) 17.321 2.881 ( -3.077 9.276 -6.554) 11.767 3.145 ( 10.533 -9.890 13.259) 19.611 3.372 ( -3.379 7.230 -4.628) 9.225 3.767 ( -13.602 -15.098 4.592) 20.834 3.987 ( -3.519 2.389 -3.454) 5.480 4.371 ( -4.408 15.997 10.230) 19.494 4.530 ( -5.274 -7.126 -8.242) 12.104 4.952 ( 0.271 11.363 -10.384) 15.395 5.371 ( -1.046 -14.562 2.658) 14.839 6.038 ( 3.024 -19.497 -5.587) 20.506 12.564 ( 24.040 12.998 -1.646) 27.378 13.187 ( 31.725 -8.005 -2.085) 32.786 14.419 ( 12.649 16.930 18.634) 28.175 15.028 ( -1.653 0.523 3.967) 4.329 75.104 ( -0.825 0.715 0.000) 1.092 75.177 ( -0.515 -1.456 0.122) 1.549 ======================= Grid point 637 (342/354) ======================= q-point: ( 0.00 0.45 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.740 ( 6.886 9.307 3.824) 12.193 2.763 ( -4.939 8.198 1.669) 9.715 3.062 ( -1.934 8.681 6.278) 10.886 3.210 ( -7.162 -8.385 7.620) 13.405 3.261 ( 8.090 -5.158 0.457) 9.606 3.365 ( 4.547 -8.513 -5.489) 11.103 4.061 ( -1.847 10.578 -6.057) 12.329 4.264 ( -2.067 -8.816 -4.901) 10.296 4.719 ( 0.380 16.547 8.073) 18.416 5.029 ( -0.813 -11.798 3.049) 12.213 5.222 ( 0.024 13.225 -5.482) 14.316 5.604 ( -0.412 -21.518 -5.624) 22.245 13.098 ( -0.587 12.722 -0.078) 12.735 13.330 ( -0.592 -10.314 0.004) 10.331 14.910 ( 4.651 9.575 7.535) 13.042 15.032 ( 1.949 -2.338 3.493) 4.634 75.116 ( 0.051 1.185 -0.039) 1.187 75.143 ( 0.043 -1.437 0.010) 1.437 ======================= Grid point 638 (343/354) ======================= q-point: ( 0.08 0.45 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.644 ( -6.528 10.334 -1.190) 12.281 2.805 ( -4.015 -3.298 1.242) 5.342 3.036 ( 1.256 11.430 1.665) 11.619 3.184 ( 2.572 -1.601 4.950) 5.803 3.397 ( 5.929 -0.682 -5.469) 8.095 3.544 ( 12.150 -12.522 -2.293) 17.598 4.056 ( 2.801 9.786 -0.467) 10.190 4.255 ( 1.978 -9.071 0.764) 9.315 4.766 ( 1.738 15.587 4.924) 16.438 5.051 ( 1.626 -10.316 3.792) 11.110 5.205 ( 0.188 13.387 -4.177) 14.025 5.587 ( 0.354 -21.151 -2.996) 21.365 12.768 ( -31.453 10.822 1.347) 33.290 12.974 ( -33.701 -9.507 1.356) 35.042 14.967 ( 0.386 9.616 -5.435) 11.053 15.080 ( 2.792 -1.444 -1.514) 3.489 75.124 ( 0.764 1.124 -0.128) 1.365 75.150 ( 0.655 -1.391 -0.088) 1.540 ======================= Grid point 639 (344/354) ======================= q-point: ( 0.15 0.45 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.452 ( -10.908 12.788 -8.125) 18.669 2.681 ( -5.864 -8.889 -0.875) 10.685 3.109 ( 4.603 8.497 -3.011) 10.122 3.269 ( 3.909 -3.883 1.801) 5.797 3.516 ( 7.355 7.755 -4.024) 11.420 3.761 ( 8.931 -13.506 0.824) 16.213 4.169 ( 7.301 7.771 3.406) 11.194 4.344 ( 5.116 -8.743 6.185) 11.869 4.822 ( 2.668 14.223 2.591) 14.702 5.086 ( -0.093 -11.512 3.293) 11.974 5.232 ( 4.085 16.089 -2.716) 16.820 5.597 ( 1.312 -18.929 -2.580) 19.149 11.912 ( -51.384 7.301 5.174) 52.158 12.070 ( -53.557 -8.124 4.757) 54.378 14.907 ( -2.023 14.548 -16.772) 22.294 15.117 ( 2.274 -6.014 -9.247) 11.263 75.149 ( 1.822 0.966 -0.180) 2.070 75.172 ( 1.654 -1.272 -0.182) 2.094 ======================= Grid point 640 (345/354) ======================= q-point: ( 0.23 0.45 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.202 ( -8.509 18.986 -13.112) 24.593 2.573 ( -2.793 -16.895 -9.793) 19.727 3.194 ( 4.700 7.361 -1.959) 8.950 3.347 ( 3.426 -5.965 0.854) 6.932 3.638 ( 4.355 11.587 0.426) 12.386 3.896 ( 3.243 -11.812 3.931) 12.864 4.337 ( 6.808 4.582 5.877) 10.094 4.469 ( 3.588 -7.678 10.199) 13.260 4.900 ( 4.682 11.778 1.011) 12.715 5.092 ( 1.121 -5.384 -0.775) 5.554 5.312 ( 3.573 11.533 -2.379) 12.306 5.605 ( 0.011 -15.220 -4.474) 15.864 10.861 ( -51.896 4.799 11.141) 53.295 10.993 ( -51.485 -8.002 10.473) 53.145 14.788 ( -2.333 19.352 -24.275) 31.132 15.106 ( 1.171 -11.692 -16.820) 20.518 75.198 ( 3.067 0.763 -0.163) 3.164 75.217 ( 2.890 -1.110 -0.255) 3.106 ======================= Grid point 641 (346/354) ======================= q-point: ( 0.31 0.45 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.079 ( 2.382 22.402 -16.966) 28.202 2.524 ( 3.075 -20.655 -18.096) 27.632 3.278 ( 3.193 6.809 2.131) 7.817 3.413 ( 2.396 -4.585 1.903) 5.513 3.666 ( -2.611 10.211 3.833) 11.215 3.901 ( -4.937 -10.667 7.121) 13.743 4.465 ( 3.534 2.039 7.435) 8.481 4.545 ( 1.347 -5.396 9.226) 10.773 5.024 ( 7.546 8.619 -1.582) 11.564 5.140 ( 4.187 -0.750 -5.009) 6.572 5.342 ( 0.529 7.049 -2.820) 7.611 5.543 ( -4.578 -10.474 -5.090) 12.513 10.006 ( -35.230 6.325 15.704) 39.087 10.186 ( -31.244 -11.540 16.594) 37.211 14.659 ( -1.612 22.253 -26.518) 34.656 15.056 ( 0.346 -16.478 -20.716) 26.472 75.268 ( 3.779 0.560 -0.085) 3.822 75.284 ( 3.626 -0.931 -0.306) 3.756 ======================= Grid point 642 (347/354) ======================= q-point: ( 0.38 0.45 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.169 ( 10.534 19.903 -17.435) 28.479 2.561 ( 5.420 -17.605 -18.282) 25.953 3.316 ( -1.604 6.156 8.566) 10.670 3.450 ( 0.549 -4.233 2.648) 5.023 3.566 ( -7.180 7.451 1.864) 10.514 3.774 ( -8.157 -9.671 7.132) 14.523 4.553 ( 3.761 1.872 6.560) 7.789 4.623 ( 3.922 -5.028 5.184) 8.218 5.167 ( 5.341 4.843 -5.271) 8.931 5.175 ( 1.173 5.343 -6.400) 8.419 5.349 ( 0.660 0.318 -1.241) 1.441 5.419 ( -4.168 -4.961 -1.578) 6.669 9.559 ( -15.207 10.563 15.934) 24.428 9.834 ( -10.926 -16.808 18.142) 27.038 14.545 ( -1.347 23.143 -23.068) 32.704 14.982 ( -0.754 -19.559 -19.659) 27.742 75.342 ( 3.222 0.370 0.013) 3.244 75.353 ( 3.096 -0.752 -0.336) 3.204 ======================= Grid point 643 (348/354) ======================= q-point: ( 0.46 0.45 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.262 ( -0.960 14.781 -6.202) 16.058 2.553 ( -3.335 -12.809 -4.412) 13.952 3.296 ( -1.800 6.250 8.223) 10.484 3.437 ( 0.004 -5.105 -0.594) 5.139 3.496 ( 0.716 6.209 -2.434) 6.707 3.682 ( -1.910 -9.218 1.618) 9.552 4.663 ( 4.404 0.732 4.455) 6.307 4.721 ( 3.822 -5.100 3.092) 7.084 5.118 ( -2.437 5.600 -5.601) 8.287 5.177 ( -2.726 0.078 -6.109) 6.691 5.354 ( 1.788 3.851 0.076) 4.246 5.424 ( 1.468 -2.291 0.243) 2.732 9.444 ( -2.144 14.220 11.584) 18.466 9.794 ( -0.008 -20.659 13.532) 24.696 14.441 ( -2.717 22.956 -15.095) 27.608 14.892 ( -2.499 -21.157 -13.803) 25.385 75.389 ( 1.302 0.189 0.084) 1.318 75.397 ( 1.198 -0.576 -0.332) 1.370 ======================= Grid point 644 (349/354) ======================= q-point: (-0.46 0.45 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.065 ( -17.064 15.111 13.184) 26.331 2.384 ( -13.878 -15.663 12.134) 24.190 3.347 ( 3.139 8.151 3.380) 9.365 3.487 ( 2.196 -5.880 -1.944) 6.571 3.525 ( 6.054 8.006 -8.620) 13.231 3.725 ( 6.503 -10.028 -2.401) 12.191 4.723 ( 0.335 -0.609 -0.251) 0.739 4.772 ( 0.485 -5.258 -1.513) 5.493 5.063 ( -1.570 6.222 -0.744) 6.460 5.126 ( -0.136 0.452 -1.973) 2.029 5.360 ( -1.447 4.253 -0.614) 4.535 5.434 ( -0.506 -2.361 -0.760) 2.531 9.523 ( 7.163 14.957 4.088) 17.080 9.886 ( 5.730 -21.134 4.703) 22.396 14.330 ( -4.914 23.006 -4.226) 23.902 14.791 ( -4.216 -22.137 -4.230) 22.929 75.390 ( -1.250 0.054 0.058) 1.252 75.396 ( -1.251 -0.449 -0.235) 1.350 ======================= Grid point 645 (350/354) ======================= q-point: (-0.38 0.45 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.779 ( -14.630 18.020 22.343) 32.218 2.155 ( -12.492 -18.224 22.623) 31.622 3.358 ( -2.681 6.784 2.779) 7.806 3.491 ( -0.858 -5.617 -1.301) 5.829 3.674 ( 8.486 9.506 -7.852) 14.968 3.883 ( 8.251 -9.685 -3.759) 13.267 4.696 ( -0.807 0.302 -6.495) 6.552 4.758 ( 1.034 -5.740 -7.588) 9.571 5.040 ( -1.827 7.905 4.227) 9.149 5.117 ( -2.342 1.698 0.713) 2.979 5.323 ( -1.421 2.549 0.940) 3.066 5.410 ( -0.595 -4.478 -0.414) 4.536 9.776 ( 18.849 12.080 -4.858) 22.909 10.076 ( 14.135 -17.648 -5.232) 23.208 14.228 ( -5.246 23.812 8.083) 25.688 14.705 ( -4.420 -22.764 7.026) 24.230 75.343 ( -3.263 0.133 -0.064) 3.266 75.350 ( -3.069 -0.536 -0.030) 3.116 ======================= Grid point 646 (351/354) ======================= q-point: (-0.31 0.45 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.701 ( 0.220 19.288 21.676) 29.016 2.096 ( -0.783 -18.893 24.725) 31.127 3.284 ( -5.025 7.652 2.027) 9.377 3.445 ( -3.034 -7.421 -1.371) 8.133 3.730 ( -1.646 11.272 -3.102) 11.807 3.966 ( -0.171 -11.096 -0.271) 11.100 4.652 ( -1.544 4.234 -11.349) 12.211 4.772 ( 1.752 -7.884 -11.594) 14.129 5.009 ( -2.141 8.044 0.711) 8.354 5.043 ( -3.451 6.759 2.763) 8.077 5.307 ( 0.028 0.901 0.961) 1.318 5.438 ( 1.934 -9.477 5.184) 10.974 10.289 ( 35.357 7.048 -12.072) 38.020 10.477 ( 29.667 -11.567 -11.847) 33.974 14.197 ( -1.957 24.478 19.346) 31.261 14.674 ( -2.354 -22.084 16.648) 27.756 75.268 ( -3.839 0.380 -0.048) 3.858 75.280 ( -3.583 -0.780 0.057) 3.667 ======================= Grid point 647 (352/354) ======================= q-point: (-0.23 0.45 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.908 ( 12.136 17.930 16.853) 27.437 2.268 ( 8.944 -17.313 19.858) 27.822 3.181 ( -5.370 9.090 1.090) 10.614 3.372 ( -3.376 -8.785 -1.693) 9.563 3.608 ( -9.324 12.672 1.846) 15.841 3.883 ( -7.957 -13.695 3.996) 16.335 4.523 ( -6.828 8.223 -11.880) 15.981 4.689 ( -5.511 -8.504 -10.833) 14.834 4.922 ( -5.863 12.913 -0.178) 14.183 5.058 ( 2.216 3.676 1.114) 4.435 5.320 ( -0.089 0.458 -2.365) 2.411 5.511 ( 3.842 -13.956 4.479) 15.153 11.106 ( 47.896 4.062 -13.556) 49.943 11.217 ( 46.896 -6.850 -11.859) 48.854 14.291 ( 3.559 23.365 25.657) 34.884 14.726 ( 0.892 -19.005 21.080) 28.396 75.196 ( -3.097 0.666 0.014) 3.168 75.214 ( -2.845 -1.039 0.097) 3.031 ======================= Grid point 648 (353/354) ======================= q-point: (-0.15 0.45 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.242 ( 14.407 15.159 13.146) 24.701 2.540 ( 11.294 -14.302 13.008) 22.389 3.091 ( -3.227 11.222 -0.263) 11.680 3.303 ( -3.426 -5.737 -2.125) 7.012 3.401 ( -10.890 9.733 6.068) 15.816 3.693 ( -12.178 -15.468 6.444) 20.714 4.330 ( -7.545 10.352 -11.493) 17.210 4.520 ( -6.810 -8.590 -10.585) 15.238 4.796 ( -6.578 16.100 4.814) 18.046 5.085 ( -0.677 -8.480 2.238) 8.796 5.280 ( -1.568 9.811 -5.365) 11.291 5.598 ( 3.581 -17.634 -3.004) 18.243 12.045 ( 46.243 7.000 -8.468) 47.530 12.192 ( 49.112 -7.478 -7.845) 50.294 14.499 ( 7.864 19.497 24.349) 32.169 14.840 ( 3.130 -13.622 18.752) 23.388 75.147 ( -1.797 0.929 0.052) 2.024 75.169 ( -1.598 -1.254 0.111) 2.034 ======================= Grid point 649 (354/354) ======================= q-point: (-0.08 0.45 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.65e-04 1.65e-04 Number of triplets: 644 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.539 ( 10.658 12.600 9.335) 18.961 2.766 ( 5.738 -8.253 6.344) 11.886 3.076 ( 3.042 11.534 -3.206) 12.352 3.154 ( -8.526 10.800 8.407) 16.125 3.318 ( -0.435 -8.750 0.315) 8.766 3.454 ( -12.901 -15.338 6.075) 20.942 4.161 ( -5.202 11.135 -10.006) 15.848 4.362 ( -5.105 -8.507 -8.816) 13.272 4.716 ( -3.168 16.709 7.842) 18.728 5.055 ( -2.743 -16.303 4.911) 17.246 5.243 ( 0.076 16.899 -7.995) 18.695 5.625 ( 0.870 -20.262 -6.352) 21.252 12.808 ( 28.468 10.982 -2.703) 30.632 13.012 ( 30.891 -9.244 -2.662) 32.354 14.739 ( 7.919 13.849 16.971) 23.292 14.958 ( 3.008 -7.349 11.422) 13.911 75.122 ( -0.685 1.117 0.034) 1.310 75.148 ( -0.579 -1.392 0.083) 1.509 =================== 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 3/23166 10.0 187.139 119.598 203.293 0.000 74.065 0.000 3/23166 20.0 37.362 27.728 39.026 0.000 12.578 0.000 3/23166 30.0 16.044 13.555 16.928 0.000 4.589 0.000 3/23166 40.0 9.618 8.767 10.200 0.000 2.393 0.000 3/23166 50.0 6.821 6.498 7.222 0.000 1.513 0.000 3/23166 60.0 5.315 5.200 5.601 0.000 1.072 0.000 3/23166 70.0 4.378 4.356 4.587 0.000 0.818 0.000 3/23166 80.0 3.736 3.755 3.889 0.000 0.656 0.000 3/23166 90.0 3.264 3.300 3.376 0.000 0.544 0.000 3/23166 100.0 2.900 2.941 2.980 0.000 0.464 0.000 3/23166 110.0 2.611 2.651 2.666 0.000 0.404 0.000 3/23166 120.0 2.376 2.411 2.410 0.000 0.357 0.000 3/23166 130.0 2.179 2.209 2.197 0.000 0.320 0.000 3/23166 140.0 2.014 2.038 2.018 0.000 0.290 0.000 3/23166 150.0 1.872 1.890 1.865 0.000 0.265 0.000 3/23166 160.0 1.749 1.762 1.734 0.000 0.245 0.000 3/23166 170.0 1.641 1.650 1.619 0.000 0.227 0.000 3/23166 180.0 1.546 1.552 1.519 0.000 0.212 0.000 3/23166 190.0 1.462 1.464 1.430 0.000 0.198 0.000 3/23166 200.0 1.386 1.385 1.351 0.000 0.187 0.000 3/23166 210.0 1.318 1.315 1.281 0.000 0.177 0.000 3/23166 220.0 1.257 1.252 1.217 0.000 0.167 0.000 3/23166 230.0 1.201 1.194 1.160 0.000 0.159 0.000 3/23166 240.0 1.150 1.141 1.108 0.000 0.152 0.000 3/23166 250.0 1.103 1.093 1.060 0.000 0.145 0.000 3/23166 260.0 1.060 1.049 1.016 0.000 0.139 0.000 3/23166 270.0 1.020 1.008 0.976 0.000 0.133 0.000 3/23166 280.0 0.983 0.971 0.939 0.000 0.128 0.000 3/23166 290.0 0.949 0.936 0.905 0.000 0.123 0.000 3/23166 300.0 0.917 0.903 0.873 0.000 0.119 0.000 3/23166 310.0 0.887 0.873 0.843 0.000 0.115 0.000 3/23166 320.0 0.859 0.845 0.816 0.000 0.111 0.000 3/23166 330.0 0.833 0.818 0.790 0.000 0.107 0.000 3/23166 340.0 0.808 0.793 0.765 0.000 0.104 0.000 3/23166 350.0 0.785 0.770 0.743 0.000 0.101 0.000 3/23166 360.0 0.763 0.748 0.721 0.000 0.098 0.000 3/23166 370.0 0.742 0.727 0.701 0.000 0.095 0.000 3/23166 380.0 0.723 0.708 0.682 0.000 0.093 0.000 3/23166 390.0 0.704 0.689 0.664 0.000 0.090 0.000 3/23166 400.0 0.687 0.671 0.646 0.000 0.088 0.000 3/23166 410.0 0.670 0.655 0.630 0.000 0.086 0.000 3/23166 420.0 0.654 0.639 0.615 0.000 0.083 0.000 3/23166 430.0 0.639 0.623 0.600 0.000 0.081 0.000 3/23166 440.0 0.625 0.609 0.586 0.000 0.080 0.000 3/23166 450.0 0.611 0.595 0.573 0.000 0.078 0.000 3/23166 460.0 0.598 0.582 0.560 0.000 0.076 0.000 3/23166 470.0 0.585 0.569 0.548 0.000 0.074 0.000 3/23166 480.0 0.574 0.557 0.536 0.000 0.073 0.000 3/23166 490.0 0.562 0.546 0.525 0.000 0.071 0.000 3/23166 500.0 0.551 0.535 0.514 0.000 0.070 0.000 3/23166 510.0 0.541 0.524 0.504 0.000 0.068 0.000 3/23166 520.0 0.531 0.514 0.494 0.000 0.067 0.000 3/23166 530.0 0.521 0.504 0.484 0.000 0.066 0.000 3/23166 540.0 0.511 0.494 0.475 0.000 0.065 0.000 3/23166 550.0 0.503 0.485 0.466 0.000 0.063 0.000 3/23166 560.0 0.494 0.477 0.458 0.000 0.062 0.000 3/23166 570.0 0.486 0.468 0.450 0.000 0.061 0.000 3/23166 580.0 0.478 0.460 0.442 0.000 0.060 0.000 3/23166 590.0 0.470 0.452 0.434 0.000 0.059 0.000 3/23166 600.0 0.462 0.444 0.427 0.000 0.058 0.000 3/23166 610.0 0.455 0.437 0.420 0.000 0.057 0.000 3/23166 620.0 0.448 0.430 0.413 0.000 0.056 0.000 3/23166 630.0 0.442 0.423 0.406 0.000 0.055 0.000 3/23166 640.0 0.435 0.416 0.400 0.000 0.054 0.000 3/23166 650.0 0.429 0.410 0.394 0.000 0.054 0.000 3/23166 660.0 0.423 0.404 0.388 0.000 0.053 0.000 3/23166 670.0 0.417 0.398 0.382 0.000 0.052 0.000 3/23166 680.0 0.411 0.392 0.376 0.000 0.051 0.000 3/23166 690.0 0.406 0.386 0.370 0.000 0.051 0.000 3/23166 700.0 0.400 0.380 0.365 0.000 0.050 0.000 3/23166 710.0 0.395 0.375 0.360 0.000 0.049 0.000 3/23166 720.0 0.390 0.370 0.355 0.000 0.048 0.000 3/23166 730.0 0.385 0.365 0.350 0.000 0.048 0.000 3/23166 740.0 0.380 0.360 0.345 0.000 0.047 0.000 3/23166 750.0 0.375 0.355 0.341 0.000 0.047 0.000 3/23166 760.0 0.371 0.350 0.336 0.000 0.046 0.000 3/23166 770.0 0.366 0.346 0.332 0.000 0.045 0.000 3/23166 780.0 0.362 0.341 0.327 0.000 0.045 0.000 3/23166 790.0 0.358 0.337 0.323 0.000 0.044 0.000 3/23166 800.0 0.354 0.333 0.319 0.000 0.044 0.000 3/23166 810.0 0.350 0.328 0.315 0.000 0.043 0.000 3/23166 820.0 0.346 0.324 0.311 0.000 0.043 0.000 3/23166 830.0 0.342 0.320 0.307 0.000 0.042 0.000 3/23166 840.0 0.338 0.317 0.304 0.000 0.042 0.000 3/23166 850.0 0.335 0.313 0.300 0.000 0.041 0.000 3/23166 860.0 0.331 0.309 0.297 0.000 0.041 0.000 3/23166 870.0 0.328 0.306 0.293 0.000 0.040 0.000 3/23166 880.0 0.324 0.302 0.290 0.000 0.040 0.000 3/23166 890.0 0.321 0.299 0.287 0.000 0.039 0.000 3/23166 900.0 0.318 0.295 0.283 0.000 0.039 0.000 3/23166 910.0 0.315 0.292 0.280 0.000 0.039 0.000 3/23166 920.0 0.312 0.289 0.277 0.000 0.038 0.000 3/23166 930.0 0.309 0.286 0.274 0.000 0.038 0.000 3/23166 940.0 0.306 0.283 0.271 0.000 0.037 0.000 3/23166 950.0 0.303 0.280 0.268 0.000 0.037 0.000 3/23166 960.0 0.300 0.277 0.266 0.000 0.037 0.000 3/23166 970.0 0.297 0.274 0.263 0.000 0.036 0.000 3/23166 980.0 0.294 0.271 0.260 0.000 0.036 0.000 3/23166 990.0 0.292 0.268 0.257 0.000 0.035 0.000 3/23166 1000.0 0.289 0.266 0.255 0.000 0.035 0.000 3/23166 Thermal conductivity related properties were written into "kappa-m13119.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 20:54:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|