----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 17:38:48]------------------------- Compiled with OpenMP support (max 48 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: [2 3 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.308827820017472 0.000000000000000 0.000000000000000 b 0.000000000000000 3.984713750000000 0.000000000000000 c -1.385888156262999 0.000000000000000 7.334234674475280 Atomic positions (fractional): *1 La 0.17646560944887 0.25000000000000 0.73726132143813 138.905 2 La 0.82353439055113 0.75000000000000 0.26273867856187 138.905 *3 C 0.34738919106700 0.25000000000000 0.35855519535663 12.011 4 C 0.65261080893299 0.75000000000000 0.64144480464337 12.011 *5 N 0.42907481552046 0.75000000000000 0.65970095467276 14.007 *6 N 0.87935547219084 0.75000000000000 0.61918664107548 14.007 7 N 0.12064452780916 0.25000000000000 0.38081335892452 14.007 8 N 0.57092518447954 0.25000000000000 0.34029904532724 14.007 *9 Cl 0.74422191148263 0.25000000000000 0.95573629992115 35.453 10 Cl 0.25577808851737 0.75000000000000 0.04426370007885 35.453 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.308827820017472 0.000000000000000 0.000000000000000 b 0.000000000000000 3.984713750000000 0.000000000000000 c -1.385888156262999 0.000000000000000 7.334234674475280 Atomic positions (fractional): *1 La 0.17646560944887 0.25000000000000 0.73726132143813 138.905 > 1 2 La 0.82353439055113 0.75000000000000 0.26273867856187 138.905 > 2 *3 C 0.34738919106700 0.25000000000000 0.35855519535663 12.011 > 3 4 C 0.65261080893299 0.75000000000000 0.64144480464337 12.011 > 4 *5 N 0.42907481552046 0.75000000000000 0.65970095467276 14.007 > 5 *6 N 0.87935547219084 0.75000000000000 0.61918664107548 14.007 > 6 7 N 0.12064452780916 0.25000000000000 0.38081335892452 14.007 > 7 8 N 0.57092518447954 0.25000000000000 0.34029904532724 14.007 > 8 *9 Cl 0.74422191148263 0.25000000000000 0.95573629992115 35.453 > 9 10 Cl 0.25577808851737 0.75000000000000 0.04426370007885 35.453 > 10 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.617655640034943 0.000000000000000 0.000000000000000 b 0.000000000000000 11.954141249999999 0.000000000000000 c -2.771776312525998 0.000000000000000 14.668469348950561 Atomic positions (fractional): *1 La 0.08823280472443 0.08333333333333 0.36863066071906 138.905 > 1 2 La 0.58823280472443 0.08333333333333 0.36863066071906 138.905 > 1 3 La 0.08823280472443 0.41666666666667 0.36863066071906 138.905 > 1 4 La 0.58823280472443 0.41666666666667 0.36863066071906 138.905 > 1 5 La 0.08823280472443 0.75000000000000 0.36863066071906 138.905 > 1 6 La 0.58823280472443 0.75000000000000 0.36863066071906 138.905 > 1 7 La 0.08823280472443 0.08333333333333 0.86863066071907 138.905 > 1 8 La 0.58823280472443 0.08333333333333 0.86863066071907 138.905 > 1 9 La 0.08823280472443 0.41666666666667 0.86863066071907 138.905 > 1 10 La 0.58823280472443 0.41666666666667 0.86863066071907 138.905 > 1 11 La 0.08823280472443 0.75000000000000 0.86863066071907 138.905 > 1 12 La 0.58823280472443 0.75000000000000 0.86863066071907 138.905 > 1 13 La 0.41176719527557 0.25000000000000 0.13136933928093 138.905 > 2 14 La 0.91176719527557 0.25000000000000 0.13136933928093 138.905 > 2 15 La 0.41176719527557 0.58333333333333 0.13136933928093 138.905 > 2 16 La 0.91176719527557 0.58333333333333 0.13136933928093 138.905 > 2 17 La 0.41176719527557 0.91666666666667 0.13136933928093 138.905 > 2 18 La 0.91176719527557 0.91666666666667 0.13136933928093 138.905 > 2 19 La 0.41176719527557 0.25000000000000 0.63136933928093 138.905 > 2 20 La 0.91176719527557 0.25000000000000 0.63136933928093 138.905 > 2 21 La 0.41176719527557 0.58333333333333 0.63136933928093 138.905 > 2 22 La 0.91176719527557 0.58333333333333 0.63136933928093 138.905 > 2 23 La 0.41176719527557 0.91666666666667 0.63136933928093 138.905 > 2 24 La 0.91176719527557 0.91666666666667 0.63136933928093 138.905 > 2 *25 C 0.17369459553350 0.08333333333333 0.17927759767831 12.011 > 3 26 C 0.67369459553350 0.08333333333333 0.17927759767831 12.011 > 3 27 C 0.17369459553350 0.41666666666667 0.17927759767831 12.011 > 3 28 C 0.67369459553350 0.41666666666667 0.17927759767831 12.011 > 3 29 C 0.17369459553350 0.75000000000000 0.17927759767831 12.011 > 3 30 C 0.67369459553350 0.75000000000000 0.17927759767831 12.011 > 3 31 C 0.17369459553350 0.08333333333333 0.67927759767831 12.011 > 3 32 C 0.67369459553350 0.08333333333333 0.67927759767831 12.011 > 3 33 C 0.17369459553350 0.41666666666667 0.67927759767831 12.011 > 3 34 C 0.67369459553350 0.41666666666667 0.67927759767831 12.011 > 3 35 C 0.17369459553350 0.75000000000000 0.67927759767831 12.011 > 3 36 C 0.67369459553350 0.75000000000000 0.67927759767831 12.011 > 3 37 C 0.32630540446650 0.25000000000000 0.32072240232169 12.011 > 4 38 C 0.82630540446650 0.25000000000000 0.32072240232169 12.011 > 4 39 C 0.32630540446650 0.58333333333333 0.32072240232169 12.011 > 4 40 C 0.82630540446650 0.58333333333333 0.32072240232169 12.011 > 4 41 C 0.32630540446650 0.91666666666667 0.32072240232169 12.011 > 4 42 C 0.82630540446650 0.91666666666667 0.32072240232169 12.011 > 4 43 C 0.32630540446650 0.25000000000000 0.82072240232169 12.011 > 4 44 C 0.82630540446650 0.25000000000000 0.82072240232169 12.011 > 4 45 C 0.32630540446650 0.58333333333333 0.82072240232169 12.011 > 4 46 C 0.82630540446650 0.58333333333333 0.82072240232169 12.011 > 4 47 C 0.32630540446650 0.91666666666667 0.82072240232169 12.011 > 4 48 C 0.82630540446650 0.91666666666667 0.82072240232169 12.011 > 4 *49 N 0.21453740776023 0.25000000000000 0.32985047733638 14.007 > 5 50 N 0.71453740776023 0.25000000000000 0.32985047733638 14.007 > 5 51 N 0.21453740776023 0.58333333333333 0.32985047733638 14.007 > 5 52 N 0.71453740776023 0.58333333333333 0.32985047733638 14.007 > 5 53 N 0.21453740776023 0.91666666666667 0.32985047733638 14.007 > 5 54 N 0.71453740776023 0.91666666666667 0.32985047733638 14.007 > 5 55 N 0.21453740776023 0.25000000000000 0.82985047733638 14.007 > 5 56 N 0.71453740776023 0.25000000000000 0.82985047733638 14.007 > 5 57 N 0.21453740776023 0.58333333333333 0.82985047733638 14.007 > 5 58 N 0.71453740776023 0.58333333333333 0.82985047733638 14.007 > 5 59 N 0.21453740776023 0.91666666666667 0.82985047733638 14.007 > 5 60 N 0.71453740776023 0.91666666666667 0.82985047733638 14.007 > 5 *61 N 0.43967773609542 0.25000000000000 0.30959332053774 14.007 > 6 62 N 0.93967773609542 0.25000000000000 0.30959332053774 14.007 > 6 63 N 0.43967773609542 0.58333333333333 0.30959332053774 14.007 > 6 64 N 0.93967773609542 0.58333333333333 0.30959332053774 14.007 > 6 65 N 0.43967773609542 0.91666666666667 0.30959332053774 14.007 > 6 66 N 0.93967773609542 0.91666666666667 0.30959332053774 14.007 > 6 67 N 0.43967773609542 0.25000000000000 0.80959332053774 14.007 > 6 68 N 0.93967773609542 0.25000000000000 0.80959332053774 14.007 > 6 69 N 0.43967773609542 0.58333333333333 0.80959332053774 14.007 > 6 70 N 0.93967773609542 0.58333333333333 0.80959332053774 14.007 > 6 71 N 0.43967773609542 0.91666666666667 0.80959332053774 14.007 > 6 72 N 0.93967773609542 0.91666666666667 0.80959332053774 14.007 > 6 73 N 0.06032226390458 0.08333333333333 0.19040667946226 14.007 > 7 74 N 0.56032226390458 0.08333333333333 0.19040667946226 14.007 > 7 75 N 0.06032226390458 0.41666666666667 0.19040667946226 14.007 > 7 76 N 0.56032226390458 0.41666666666667 0.19040667946226 14.007 > 7 77 N 0.06032226390458 0.75000000000000 0.19040667946226 14.007 > 7 78 N 0.56032226390458 0.75000000000000 0.19040667946226 14.007 > 7 79 N 0.06032226390458 0.08333333333333 0.69040667946226 14.007 > 7 80 N 0.56032226390458 0.08333333333333 0.69040667946226 14.007 > 7 81 N 0.06032226390458 0.41666666666667 0.69040667946226 14.007 > 7 82 N 0.56032226390458 0.41666666666667 0.69040667946226 14.007 > 7 83 N 0.06032226390458 0.75000000000000 0.69040667946226 14.007 > 7 84 N 0.56032226390458 0.75000000000000 0.69040667946226 14.007 > 7 85 N 0.28546259223977 0.08333333333333 0.17014952266362 14.007 > 8 86 N 0.78546259223977 0.08333333333333 0.17014952266362 14.007 > 8 87 N 0.28546259223977 0.41666666666667 0.17014952266362 14.007 > 8 88 N 0.78546259223977 0.41666666666667 0.17014952266362 14.007 > 8 89 N 0.28546259223977 0.75000000000000 0.17014952266362 14.007 > 8 90 N 0.78546259223977 0.75000000000000 0.17014952266362 14.007 > 8 91 N 0.28546259223977 0.08333333333333 0.67014952266362 14.007 > 8 92 N 0.78546259223977 0.08333333333333 0.67014952266362 14.007 > 8 93 N 0.28546259223977 0.41666666666667 0.67014952266362 14.007 > 8 94 N 0.78546259223977 0.41666666666667 0.67014952266362 14.007 > 8 95 N 0.28546259223977 0.75000000000000 0.67014952266362 14.007 > 8 96 N 0.78546259223977 0.75000000000000 0.67014952266362 14.007 > 8 *97 Cl 0.37211095574131 0.08333333333333 0.47786814996057 35.453 > 9 98 Cl 0.87211095574131 0.08333333333333 0.47786814996057 35.453 > 9 99 Cl 0.37211095574131 0.41666666666667 0.47786814996057 35.453 > 9 100 Cl 0.87211095574131 0.41666666666667 0.47786814996057 35.453 > 9 101 Cl 0.37211095574131 0.75000000000000 0.47786814996057 35.453 > 9 102 Cl 0.87211095574131 0.75000000000000 0.47786814996057 35.453 > 9 103 Cl 0.37211095574131 0.08333333333333 0.97786814996057 35.453 > 9 104 Cl 0.87211095574131 0.08333333333333 0.97786814996057 35.453 > 9 105 Cl 0.37211095574131 0.41666666666667 0.97786814996057 35.453 > 9 106 Cl 0.87211095574131 0.41666666666667 0.97786814996057 35.453 > 9 107 Cl 0.37211095574131 0.75000000000000 0.97786814996057 35.453 > 9 108 Cl 0.87211095574131 0.75000000000000 0.97786814996057 35.453 > 9 109 Cl 0.12788904425869 0.25000000000000 0.02213185003943 35.453 > 10 110 Cl 0.62788904425869 0.25000000000000 0.02213185003943 35.453 > 10 111 Cl 0.12788904425869 0.58333333333333 0.02213185003943 35.453 > 10 112 Cl 0.62788904425869 0.58333333333333 0.02213185003943 35.453 > 10 113 Cl 0.12788904425869 0.91666666666667 0.02213185003943 35.453 > 10 114 Cl 0.62788904425869 0.91666666666667 0.02213185003943 35.453 > 10 115 Cl 0.12788904425869 0.25000000000000 0.52213185003943 35.453 > 10 116 Cl 0.62788904425869 0.25000000000000 0.52213185003943 35.453 > 10 117 Cl 0.12788904425869 0.58333333333333 0.52213185003943 35.453 > 10 118 Cl 0.62788904425869 0.58333333333333 0.52213185003943 35.453 > 10 119 Cl 0.12788904425869 0.91666666666667 0.52213185003943 35.453 > 10 120 Cl 0.62788904425869 0.91666666666667 0.52213185003943 35.453 > 10 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.1864188 0.0000000 -0.3360807 0.0000000 4.2764184 0.0000000 -0.3360746 0.0000000 4.2346455 -------------------------- Born effective charges -------------------------- 1 La 4.7881889 0.0000000 -0.2901532 0.0000000 4.5312847 0.0000000 -0.1907218 0.0000000 3.9605816 2 La 4.7881889 0.0000000 -0.2901532 0.0000000 4.5312847 0.0000000 -0.1907218 0.0000000 3.9605816 3 C 5.2137490 0.0000000 -0.4857467 0.0000000 0.0208914 0.0000000 -0.7965815 0.0000000 0.3149410 4 C 5.2137490 0.0000000 -0.4857467 0.0000000 0.0208914 0.0000000 -0.7965815 0.0000000 0.3149410 5 N -4.1826659 0.0000000 0.6149534 0.0000000 -1.7896918 0.0000000 0.6318062 0.0000000 -1.0249913 6 N -4.3493455 0.0000000 -0.0138286 0.0000000 -1.6502593 0.0000000 0.2817527 0.0000000 -1.7253697 7 N -4.3493455 0.0000000 -0.0138286 0.0000000 -1.6502593 0.0000000 0.2817527 0.0000000 -1.7253697 8 N -4.1826659 0.0000000 0.6149534 0.0000000 -1.7896918 0.0000000 0.6318062 0.0000000 -1.0249913 9 Cl -1.4699265 0.0000000 0.1747752 0.0000000 -1.1122251 0.0000000 0.0737443 0.0000000 -1.5251616 10 Cl -1.4699265 0.0000000 0.1747752 0.0000000 -1.1122251 0.0000000 0.0737443 0.0000000 -1.5251616 ---------------------------------------------------------------------------- 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: 360/360 Permutation basis: 5880/5880 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1520 Number of blocks in projector: 1520 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: 400 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 240 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 240 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 240 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 200 Use standard eigh solver. Tree of FC basis block matrices: - (1520, 1496), data: False |-- (200, 200), data: True |-- (200, 200), data: True |-- (240, 235), data: True |-- (240, 235), data: True |-- (240, 235), data: True |-- (400, 391), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.007 Solver_block: 100 / 320 - Time: 0.536 Solver_block: 200 / 320 - Time: 0.510 Solver_block: 300 / 320 - Time: 0.508 Solver_block: 320 / 320 - Time: 0.186 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.774 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 360/360 Permutation basis: 5880/5880 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1520 Number of blocks in projector: 1520 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: 400 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 240 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 240 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 240 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 200 Use standard eigh solver. Tree of FC basis block matrices: - (1520, 1496), data: False |-- (200, 200), data: True |-- (200, 200), data: True |-- (240, 235), data: True |-- (240, 235), data: True |-- (240, 235), data: True |-- (400, 391), 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 17:39:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 17:39:07]------------------------- Compiled with OpenMP support (max 48 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): [2 3 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.308827820017472 0.000000000000000 0.000000000000000 b 0.000000000000000 3.984713750000000 0.000000000000000 c -1.385888156262999 0.000000000000000 7.334234674475280 Atomic positions (fractional): 1 La 0.17646560944887 0.25000000000000 0.73726132143813 138.905 2 La 0.82353439055113 0.75000000000000 0.26273867856187 138.905 3 C 0.34738919106700 0.25000000000000 0.35855519535663 12.011 4 C 0.65261080893299 0.75000000000000 0.64144480464337 12.011 5 N 0.42907481552046 0.75000000000000 0.65970095467276 14.007 6 N 0.87935547219084 0.75000000000000 0.61918664107548 14.007 7 N 0.12064452780916 0.25000000000000 0.38081335892452 14.007 8 N 0.57092518447954 0.25000000000000 0.34029904532724 14.007 9 Cl 0.74422191148263 0.25000000000000 0.95573629992115 35.453 10 Cl 0.25577808851737 0.75000000000000 0.04426370007885 35.453 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.617655640034943 0.000000000000000 0.000000000000000 b 0.000000000000000 11.954141249999999 0.000000000000000 c -2.771776312525998 0.000000000000000 14.668469348950561 Atomic positions (fractional): 1 La 0.08823280472443 0.08333333333333 0.36863066071906 138.905 > 1 2 La 0.58823280472443 0.08333333333333 0.36863066071906 138.905 > 1 3 La 0.08823280472443 0.41666666666667 0.36863066071906 138.905 > 1 4 La 0.58823280472443 0.41666666666667 0.36863066071906 138.905 > 1 5 La 0.08823280472443 0.75000000000000 0.36863066071906 138.905 > 1 6 La 0.58823280472443 0.75000000000000 0.36863066071906 138.905 > 1 7 La 0.08823280472443 0.08333333333333 0.86863066071907 138.905 > 1 8 La 0.58823280472443 0.08333333333333 0.86863066071907 138.905 > 1 9 La 0.08823280472443 0.41666666666667 0.86863066071907 138.905 > 1 10 La 0.58823280472443 0.41666666666667 0.86863066071907 138.905 > 1 11 La 0.08823280472443 0.75000000000000 0.86863066071907 138.905 > 1 12 La 0.58823280472443 0.75000000000000 0.86863066071907 138.905 > 1 13 La 0.41176719527557 0.25000000000000 0.13136933928093 138.905 > 13 14 La 0.91176719527557 0.25000000000000 0.13136933928093 138.905 > 13 15 La 0.41176719527557 0.58333333333333 0.13136933928093 138.905 > 13 16 La 0.91176719527557 0.58333333333333 0.13136933928093 138.905 > 13 17 La 0.41176719527557 0.91666666666667 0.13136933928093 138.905 > 13 18 La 0.91176719527557 0.91666666666667 0.13136933928093 138.905 > 13 19 La 0.41176719527557 0.25000000000000 0.63136933928093 138.905 > 13 20 La 0.91176719527557 0.25000000000000 0.63136933928093 138.905 > 13 21 La 0.41176719527557 0.58333333333333 0.63136933928093 138.905 > 13 22 La 0.91176719527557 0.58333333333333 0.63136933928093 138.905 > 13 23 La 0.41176719527557 0.91666666666667 0.63136933928093 138.905 > 13 24 La 0.91176719527557 0.91666666666667 0.63136933928093 138.905 > 13 25 C 0.17369459553350 0.08333333333333 0.17927759767831 12.011 > 25 26 C 0.67369459553350 0.08333333333333 0.17927759767831 12.011 > 25 27 C 0.17369459553350 0.41666666666667 0.17927759767831 12.011 > 25 28 C 0.67369459553350 0.41666666666667 0.17927759767831 12.011 > 25 29 C 0.17369459553350 0.75000000000000 0.17927759767831 12.011 > 25 30 C 0.67369459553350 0.75000000000000 0.17927759767831 12.011 > 25 31 C 0.17369459553350 0.08333333333333 0.67927759767831 12.011 > 25 32 C 0.67369459553350 0.08333333333333 0.67927759767831 12.011 > 25 33 C 0.17369459553350 0.41666666666667 0.67927759767831 12.011 > 25 34 C 0.67369459553350 0.41666666666667 0.67927759767831 12.011 > 25 35 C 0.17369459553350 0.75000000000000 0.67927759767831 12.011 > 25 36 C 0.67369459553350 0.75000000000000 0.67927759767831 12.011 > 25 37 C 0.32630540446650 0.25000000000000 0.32072240232169 12.011 > 37 38 C 0.82630540446650 0.25000000000000 0.32072240232169 12.011 > 37 39 C 0.32630540446650 0.58333333333333 0.32072240232169 12.011 > 37 40 C 0.82630540446650 0.58333333333333 0.32072240232169 12.011 > 37 41 C 0.32630540446650 0.91666666666667 0.32072240232169 12.011 > 37 42 C 0.82630540446650 0.91666666666667 0.32072240232169 12.011 > 37 43 C 0.32630540446650 0.25000000000000 0.82072240232169 12.011 > 37 44 C 0.82630540446650 0.25000000000000 0.82072240232169 12.011 > 37 45 C 0.32630540446650 0.58333333333333 0.82072240232169 12.011 > 37 46 C 0.82630540446650 0.58333333333333 0.82072240232169 12.011 > 37 47 C 0.32630540446650 0.91666666666667 0.82072240232169 12.011 > 37 48 C 0.82630540446650 0.91666666666667 0.82072240232169 12.011 > 37 49 N 0.21453740776023 0.25000000000000 0.32985047733638 14.007 > 49 50 N 0.71453740776023 0.25000000000000 0.32985047733638 14.007 > 49 51 N 0.21453740776023 0.58333333333333 0.32985047733638 14.007 > 49 52 N 0.71453740776023 0.58333333333333 0.32985047733638 14.007 > 49 53 N 0.21453740776023 0.91666666666667 0.32985047733638 14.007 > 49 54 N 0.71453740776023 0.91666666666667 0.32985047733638 14.007 > 49 55 N 0.21453740776023 0.25000000000000 0.82985047733638 14.007 > 49 56 N 0.71453740776023 0.25000000000000 0.82985047733638 14.007 > 49 57 N 0.21453740776023 0.58333333333333 0.82985047733638 14.007 > 49 58 N 0.71453740776023 0.58333333333333 0.82985047733638 14.007 > 49 59 N 0.21453740776023 0.91666666666667 0.82985047733638 14.007 > 49 60 N 0.71453740776023 0.91666666666667 0.82985047733638 14.007 > 49 61 N 0.43967773609542 0.25000000000000 0.30959332053774 14.007 > 61 62 N 0.93967773609542 0.25000000000000 0.30959332053774 14.007 > 61 63 N 0.43967773609542 0.58333333333333 0.30959332053774 14.007 > 61 64 N 0.93967773609542 0.58333333333333 0.30959332053774 14.007 > 61 65 N 0.43967773609542 0.91666666666667 0.30959332053774 14.007 > 61 66 N 0.93967773609542 0.91666666666667 0.30959332053774 14.007 > 61 67 N 0.43967773609542 0.25000000000000 0.80959332053774 14.007 > 61 68 N 0.93967773609542 0.25000000000000 0.80959332053774 14.007 > 61 69 N 0.43967773609542 0.58333333333333 0.80959332053774 14.007 > 61 70 N 0.93967773609542 0.58333333333333 0.80959332053774 14.007 > 61 71 N 0.43967773609542 0.91666666666667 0.80959332053774 14.007 > 61 72 N 0.93967773609542 0.91666666666667 0.80959332053774 14.007 > 61 73 N 0.06032226390458 0.08333333333333 0.19040667946226 14.007 > 73 74 N 0.56032226390458 0.08333333333333 0.19040667946226 14.007 > 73 75 N 0.06032226390458 0.41666666666667 0.19040667946226 14.007 > 73 76 N 0.56032226390458 0.41666666666667 0.19040667946226 14.007 > 73 77 N 0.06032226390458 0.75000000000000 0.19040667946226 14.007 > 73 78 N 0.56032226390458 0.75000000000000 0.19040667946226 14.007 > 73 79 N 0.06032226390458 0.08333333333333 0.69040667946226 14.007 > 73 80 N 0.56032226390458 0.08333333333333 0.69040667946226 14.007 > 73 81 N 0.06032226390458 0.41666666666667 0.69040667946226 14.007 > 73 82 N 0.56032226390458 0.41666666666667 0.69040667946226 14.007 > 73 83 N 0.06032226390458 0.75000000000000 0.69040667946226 14.007 > 73 84 N 0.56032226390458 0.75000000000000 0.69040667946226 14.007 > 73 85 N 0.28546259223977 0.08333333333333 0.17014952266362 14.007 > 85 86 N 0.78546259223977 0.08333333333333 0.17014952266362 14.007 > 85 87 N 0.28546259223977 0.41666666666667 0.17014952266362 14.007 > 85 88 N 0.78546259223977 0.41666666666667 0.17014952266362 14.007 > 85 89 N 0.28546259223977 0.75000000000000 0.17014952266362 14.007 > 85 90 N 0.78546259223977 0.75000000000000 0.17014952266362 14.007 > 85 91 N 0.28546259223977 0.08333333333333 0.67014952266362 14.007 > 85 92 N 0.78546259223977 0.08333333333333 0.67014952266362 14.007 > 85 93 N 0.28546259223977 0.41666666666667 0.67014952266362 14.007 > 85 94 N 0.78546259223977 0.41666666666667 0.67014952266362 14.007 > 85 95 N 0.28546259223977 0.75000000000000 0.67014952266362 14.007 > 85 96 N 0.78546259223977 0.75000000000000 0.67014952266362 14.007 > 85 97 Cl 0.37211095574131 0.08333333333333 0.47786814996057 35.453 > 97 98 Cl 0.87211095574131 0.08333333333333 0.47786814996057 35.453 > 97 99 Cl 0.37211095574131 0.41666666666667 0.47786814996057 35.453 > 97 100 Cl 0.87211095574131 0.41666666666667 0.47786814996057 35.453 > 97 101 Cl 0.37211095574131 0.75000000000000 0.47786814996057 35.453 > 97 102 Cl 0.87211095574131 0.75000000000000 0.47786814996057 35.453 > 97 103 Cl 0.37211095574131 0.08333333333333 0.97786814996057 35.453 > 97 104 Cl 0.87211095574131 0.08333333333333 0.97786814996057 35.453 > 97 105 Cl 0.37211095574131 0.41666666666667 0.97786814996057 35.453 > 97 106 Cl 0.87211095574131 0.41666666666667 0.97786814996057 35.453 > 97 107 Cl 0.37211095574131 0.75000000000000 0.97786814996057 35.453 > 97 108 Cl 0.87211095574131 0.75000000000000 0.97786814996057 35.453 > 97 109 Cl 0.12788904425869 0.25000000000000 0.02213185003943 35.453 > 109 110 Cl 0.62788904425869 0.25000000000000 0.02213185003943 35.453 > 109 111 Cl 0.12788904425869 0.58333333333333 0.02213185003943 35.453 > 109 112 Cl 0.62788904425869 0.58333333333333 0.02213185003943 35.453 > 109 113 Cl 0.12788904425869 0.91666666666667 0.02213185003943 35.453 > 109 114 Cl 0.62788904425869 0.91666666666667 0.02213185003943 35.453 > 109 115 Cl 0.12788904425869 0.25000000000000 0.52213185003943 35.453 > 109 116 Cl 0.62788904425869 0.25000000000000 0.52213185003943 35.453 > 109 117 Cl 0.12788904425869 0.58333333333333 0.52213185003943 35.453 > 109 118 Cl 0.62788904425869 0.58333333333333 0.52213185003943 35.453 > 109 119 Cl 0.12788904425869 0.91666666666667 0.52213185003943 35.453 > 109 120 Cl 0.62788904425869 0.91666666666667 0.52213185003943 35.453 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.1864188 0.0000000 -0.3360807 0.0000000 4.2764184 0.0000000 -0.3360746 0.0000000 4.2346455 -------------------------- Born effective charges -------------------------- 1 La 4.7881889 0.0000000 -0.2901532 0.0000000 4.5312847 0.0000000 -0.1907218 0.0000000 3.9605816 2 La 4.7881889 0.0000000 -0.2901532 0.0000000 4.5312847 0.0000000 -0.1907218 0.0000000 3.9605816 3 C 5.2137490 0.0000000 -0.4857467 0.0000000 0.0208914 0.0000000 -0.7965815 0.0000000 0.3149410 4 C 5.2137490 0.0000000 -0.4857467 0.0000000 0.0208914 0.0000000 -0.7965815 0.0000000 0.3149410 5 N -4.1826659 0.0000000 0.6149534 0.0000000 -1.7896918 0.0000000 0.6318062 0.0000000 -1.0249913 6 N -4.3493455 0.0000000 -0.0138286 0.0000000 -1.6502593 0.0000000 0.2817527 0.0000000 -1.7253697 7 N -4.3493455 0.0000000 -0.0138286 0.0000000 -1.6502593 0.0000000 0.2817527 0.0000000 -1.7253697 8 N -4.1826659 0.0000000 0.6149534 0.0000000 -1.7896918 0.0000000 0.6318062 0.0000000 -1.0249913 9 Cl -1.4699265 0.0000000 0.1747752 0.0000000 -1.1122251 0.0000000 0.0737443 0.0000000 -1.5251616 10 Cl -1.4699265 0.0000000 0.1747752 0.0000000 -1.1122251 0.0000000 0.0737443 0.0000000 -1.5251616 ---------------------------------------------------------------------------- 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] [-0.0019 0.0000 0.0098] [ 0.0019 0.0000 -0.0098] Computing fc3[ 25, 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] [-0.0019 0.0000 0.0098] [ 0.0019 0.0000 -0.0098] 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] [-0.0019 0.0000 0.0098] [ 0.0019 0.0000 -0.0098] Computing fc3[ 61, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0019 0.0000 0.0098] [ 0.0019 0.0000 -0.0098] 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] [-0.0019 0.0000 0.0098] [ 0.0019 0.0000 -0.0098] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000004 (xxx) -0.00000004 (xxx) -0.00000004 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (xz) 0.00000001 (xz) 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 17:39:27]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 17:39:28]------------------------- Compiled with OpenMP support (max 48 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): [2 3 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.308827820017472 0.000000000000000 0.000000000000000 b 0.000000000000000 3.984713750000000 0.000000000000000 c -1.385888156262999 0.000000000000000 7.334234674475280 Atomic positions (fractional): 1 La 0.17646560944887 0.25000000000000 0.73726132143813 138.905 2 La 0.82353439055113 0.75000000000000 0.26273867856187 138.905 3 C 0.34738919106700 0.25000000000000 0.35855519535663 12.011 4 C 0.65261080893299 0.75000000000000 0.64144480464337 12.011 5 N 0.42907481552046 0.75000000000000 0.65970095467276 14.007 6 N 0.87935547219084 0.75000000000000 0.61918664107548 14.007 7 N 0.12064452780916 0.25000000000000 0.38081335892452 14.007 8 N 0.57092518447954 0.25000000000000 0.34029904532724 14.007 9 Cl 0.74422191148263 0.25000000000000 0.95573629992115 35.453 10 Cl 0.25577808851737 0.75000000000000 0.04426370007885 35.453 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.617655640034943 0.000000000000000 0.000000000000000 b 0.000000000000000 11.954141249999999 0.000000000000000 c -2.771776312525998 0.000000000000000 14.668469348950561 Atomic positions (fractional): 1 La 0.08823280472443 0.08333333333333 0.36863066071906 138.905 > 1 2 La 0.58823280472443 0.08333333333333 0.36863066071906 138.905 > 1 3 La 0.08823280472443 0.41666666666667 0.36863066071906 138.905 > 1 4 La 0.58823280472443 0.41666666666667 0.36863066071906 138.905 > 1 5 La 0.08823280472443 0.75000000000000 0.36863066071906 138.905 > 1 6 La 0.58823280472443 0.75000000000000 0.36863066071906 138.905 > 1 7 La 0.08823280472443 0.08333333333333 0.86863066071907 138.905 > 1 8 La 0.58823280472443 0.08333333333333 0.86863066071907 138.905 > 1 9 La 0.08823280472443 0.41666666666667 0.86863066071907 138.905 > 1 10 La 0.58823280472443 0.41666666666667 0.86863066071907 138.905 > 1 11 La 0.08823280472443 0.75000000000000 0.86863066071907 138.905 > 1 12 La 0.58823280472443 0.75000000000000 0.86863066071907 138.905 > 1 13 La 0.41176719527557 0.25000000000000 0.13136933928093 138.905 > 13 14 La 0.91176719527557 0.25000000000000 0.13136933928093 138.905 > 13 15 La 0.41176719527557 0.58333333333333 0.13136933928093 138.905 > 13 16 La 0.91176719527557 0.58333333333333 0.13136933928093 138.905 > 13 17 La 0.41176719527557 0.91666666666667 0.13136933928093 138.905 > 13 18 La 0.91176719527557 0.91666666666667 0.13136933928093 138.905 > 13 19 La 0.41176719527557 0.25000000000000 0.63136933928093 138.905 > 13 20 La 0.91176719527557 0.25000000000000 0.63136933928093 138.905 > 13 21 La 0.41176719527557 0.58333333333333 0.63136933928093 138.905 > 13 22 La 0.91176719527557 0.58333333333333 0.63136933928093 138.905 > 13 23 La 0.41176719527557 0.91666666666667 0.63136933928093 138.905 > 13 24 La 0.91176719527557 0.91666666666667 0.63136933928093 138.905 > 13 25 C 0.17369459553350 0.08333333333333 0.17927759767831 12.011 > 25 26 C 0.67369459553350 0.08333333333333 0.17927759767831 12.011 > 25 27 C 0.17369459553350 0.41666666666667 0.17927759767831 12.011 > 25 28 C 0.67369459553350 0.41666666666667 0.17927759767831 12.011 > 25 29 C 0.17369459553350 0.75000000000000 0.17927759767831 12.011 > 25 30 C 0.67369459553350 0.75000000000000 0.17927759767831 12.011 > 25 31 C 0.17369459553350 0.08333333333333 0.67927759767831 12.011 > 25 32 C 0.67369459553350 0.08333333333333 0.67927759767831 12.011 > 25 33 C 0.17369459553350 0.41666666666667 0.67927759767831 12.011 > 25 34 C 0.67369459553350 0.41666666666667 0.67927759767831 12.011 > 25 35 C 0.17369459553350 0.75000000000000 0.67927759767831 12.011 > 25 36 C 0.67369459553350 0.75000000000000 0.67927759767831 12.011 > 25 37 C 0.32630540446650 0.25000000000000 0.32072240232169 12.011 > 37 38 C 0.82630540446650 0.25000000000000 0.32072240232169 12.011 > 37 39 C 0.32630540446650 0.58333333333333 0.32072240232169 12.011 > 37 40 C 0.82630540446650 0.58333333333333 0.32072240232169 12.011 > 37 41 C 0.32630540446650 0.91666666666667 0.32072240232169 12.011 > 37 42 C 0.82630540446650 0.91666666666667 0.32072240232169 12.011 > 37 43 C 0.32630540446650 0.25000000000000 0.82072240232169 12.011 > 37 44 C 0.82630540446650 0.25000000000000 0.82072240232169 12.011 > 37 45 C 0.32630540446650 0.58333333333333 0.82072240232169 12.011 > 37 46 C 0.82630540446650 0.58333333333333 0.82072240232169 12.011 > 37 47 C 0.32630540446650 0.91666666666667 0.82072240232169 12.011 > 37 48 C 0.82630540446650 0.91666666666667 0.82072240232169 12.011 > 37 49 N 0.21453740776023 0.25000000000000 0.32985047733638 14.007 > 49 50 N 0.71453740776023 0.25000000000000 0.32985047733638 14.007 > 49 51 N 0.21453740776023 0.58333333333333 0.32985047733638 14.007 > 49 52 N 0.71453740776023 0.58333333333333 0.32985047733638 14.007 > 49 53 N 0.21453740776023 0.91666666666667 0.32985047733638 14.007 > 49 54 N 0.71453740776023 0.91666666666667 0.32985047733638 14.007 > 49 55 N 0.21453740776023 0.25000000000000 0.82985047733638 14.007 > 49 56 N 0.71453740776023 0.25000000000000 0.82985047733638 14.007 > 49 57 N 0.21453740776023 0.58333333333333 0.82985047733638 14.007 > 49 58 N 0.71453740776023 0.58333333333333 0.82985047733638 14.007 > 49 59 N 0.21453740776023 0.91666666666667 0.82985047733638 14.007 > 49 60 N 0.71453740776023 0.91666666666667 0.82985047733638 14.007 > 49 61 N 0.43967773609542 0.25000000000000 0.30959332053774 14.007 > 61 62 N 0.93967773609542 0.25000000000000 0.30959332053774 14.007 > 61 63 N 0.43967773609542 0.58333333333333 0.30959332053774 14.007 > 61 64 N 0.93967773609542 0.58333333333333 0.30959332053774 14.007 > 61 65 N 0.43967773609542 0.91666666666667 0.30959332053774 14.007 > 61 66 N 0.93967773609542 0.91666666666667 0.30959332053774 14.007 > 61 67 N 0.43967773609542 0.25000000000000 0.80959332053774 14.007 > 61 68 N 0.93967773609542 0.25000000000000 0.80959332053774 14.007 > 61 69 N 0.43967773609542 0.58333333333333 0.80959332053774 14.007 > 61 70 N 0.93967773609542 0.58333333333333 0.80959332053774 14.007 > 61 71 N 0.43967773609542 0.91666666666667 0.80959332053774 14.007 > 61 72 N 0.93967773609542 0.91666666666667 0.80959332053774 14.007 > 61 73 N 0.06032226390458 0.08333333333333 0.19040667946226 14.007 > 73 74 N 0.56032226390458 0.08333333333333 0.19040667946226 14.007 > 73 75 N 0.06032226390458 0.41666666666667 0.19040667946226 14.007 > 73 76 N 0.56032226390458 0.41666666666667 0.19040667946226 14.007 > 73 77 N 0.06032226390458 0.75000000000000 0.19040667946226 14.007 > 73 78 N 0.56032226390458 0.75000000000000 0.19040667946226 14.007 > 73 79 N 0.06032226390458 0.08333333333333 0.69040667946226 14.007 > 73 80 N 0.56032226390458 0.08333333333333 0.69040667946226 14.007 > 73 81 N 0.06032226390458 0.41666666666667 0.69040667946226 14.007 > 73 82 N 0.56032226390458 0.41666666666667 0.69040667946226 14.007 > 73 83 N 0.06032226390458 0.75000000000000 0.69040667946226 14.007 > 73 84 N 0.56032226390458 0.75000000000000 0.69040667946226 14.007 > 73 85 N 0.28546259223977 0.08333333333333 0.17014952266362 14.007 > 85 86 N 0.78546259223977 0.08333333333333 0.17014952266362 14.007 > 85 87 N 0.28546259223977 0.41666666666667 0.17014952266362 14.007 > 85 88 N 0.78546259223977 0.41666666666667 0.17014952266362 14.007 > 85 89 N 0.28546259223977 0.75000000000000 0.17014952266362 14.007 > 85 90 N 0.78546259223977 0.75000000000000 0.17014952266362 14.007 > 85 91 N 0.28546259223977 0.08333333333333 0.67014952266362 14.007 > 85 92 N 0.78546259223977 0.08333333333333 0.67014952266362 14.007 > 85 93 N 0.28546259223977 0.41666666666667 0.67014952266362 14.007 > 85 94 N 0.78546259223977 0.41666666666667 0.67014952266362 14.007 > 85 95 N 0.28546259223977 0.75000000000000 0.67014952266362 14.007 > 85 96 N 0.78546259223977 0.75000000000000 0.67014952266362 14.007 > 85 97 Cl 0.37211095574131 0.08333333333333 0.47786814996057 35.453 > 97 98 Cl 0.87211095574131 0.08333333333333 0.47786814996057 35.453 > 97 99 Cl 0.37211095574131 0.41666666666667 0.47786814996057 35.453 > 97 100 Cl 0.87211095574131 0.41666666666667 0.47786814996057 35.453 > 97 101 Cl 0.37211095574131 0.75000000000000 0.47786814996057 35.453 > 97 102 Cl 0.87211095574131 0.75000000000000 0.47786814996057 35.453 > 97 103 Cl 0.37211095574131 0.08333333333333 0.97786814996057 35.453 > 97 104 Cl 0.87211095574131 0.08333333333333 0.97786814996057 35.453 > 97 105 Cl 0.37211095574131 0.41666666666667 0.97786814996057 35.453 > 97 106 Cl 0.87211095574131 0.41666666666667 0.97786814996057 35.453 > 97 107 Cl 0.37211095574131 0.75000000000000 0.97786814996057 35.453 > 97 108 Cl 0.87211095574131 0.75000000000000 0.97786814996057 35.453 > 97 109 Cl 0.12788904425869 0.25000000000000 0.02213185003943 35.453 > 109 110 Cl 0.62788904425869 0.25000000000000 0.02213185003943 35.453 > 109 111 Cl 0.12788904425869 0.58333333333333 0.02213185003943 35.453 > 109 112 Cl 0.62788904425869 0.58333333333333 0.02213185003943 35.453 > 109 113 Cl 0.12788904425869 0.91666666666667 0.02213185003943 35.453 > 109 114 Cl 0.62788904425869 0.91666666666667 0.02213185003943 35.453 > 109 115 Cl 0.12788904425869 0.25000000000000 0.52213185003943 35.453 > 109 116 Cl 0.62788904425869 0.25000000000000 0.52213185003943 35.453 > 109 117 Cl 0.12788904425869 0.58333333333333 0.52213185003943 35.453 > 109 118 Cl 0.62788904425869 0.58333333333333 0.52213185003943 35.453 > 109 119 Cl 0.12788904425869 0.91666666666667 0.52213185003943 35.453 > 109 120 Cl 0.62788904425869 0.91666666666667 0.52213185003943 35.453 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 6.1864188 0.0000000 -0.3360807 0.0000000 4.2764184 0.0000000 -0.3360746 0.0000000 4.2346455 -------------------------- Born effective charges -------------------------- 1 La 4.7881889 0.0000000 -0.2901532 0.0000000 4.5312847 0.0000000 -0.1907218 0.0000000 3.9605816 2 La 4.7881889 0.0000000 -0.2901532 0.0000000 4.5312847 0.0000000 -0.1907218 0.0000000 3.9605816 3 C 5.2137490 0.0000000 -0.4857467 0.0000000 0.0208914 0.0000000 -0.7965815 0.0000000 0.3149410 4 C 5.2137490 0.0000000 -0.4857467 0.0000000 0.0208914 0.0000000 -0.7965815 0.0000000 0.3149410 5 N -4.1826659 0.0000000 0.6149534 0.0000000 -1.7896918 0.0000000 0.6318062 0.0000000 -1.0249913 6 N -4.3493455 0.0000000 -0.0138286 0.0000000 -1.6502593 0.0000000 0.2817527 0.0000000 -1.7253697 7 N -4.3493455 0.0000000 -0.0138286 0.0000000 -1.6502593 0.0000000 0.2817527 0.0000000 -1.7253697 8 N -4.1826659 0.0000000 0.6149534 0.0000000 -1.7896918 0.0000000 0.6318062 0.0000000 -1.0249913 9 Cl -1.4699265 0.0000000 0.1747752 0.0000000 -1.1122251 0.0000000 0.0737443 0.0000000 -1.5251616 10 Cl -1.4699265 0.0000000 0.1747752 0.0000000 -1.1122251 0.0000000 0.0737443 0.0000000 -1.5251616 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000004 (xxx) -0.00000004 (xxx) -0.00000004 (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 ... [ 10 13 7 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.77, Number of G-points: 293, Lambda: 0.18 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/252) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 252 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 2.269 ( 0.000 0.000 0.000) 0.000 2.767 ( 0.000 0.000 0.000) 0.000 3.570 ( 0.000 0.000 0.000) 0.000 4.400 ( 0.000 0.000 0.000) 0.000 4.459 ( 0.000 0.000 0.000) 0.000 4.646 ( 0.000 0.000 0.000) 0.000 5.322 ( 0.000 0.000 0.000) 0.000 5.367 ( 0.000 0.000 0.000) 0.000 5.854 ( 0.000 0.000 0.000) 0.000 6.300 ( 0.000 0.000 0.000) 0.000 6.507 ( 0.000 0.000 0.000) 0.000 7.328 ( 0.000 0.000 0.000) 0.000 7.657 ( 0.000 0.000 0.000) 0.000 7.682 ( 0.000 0.000 0.000) 0.000 7.969 ( 0.000 0.000 0.000) 0.000 8.114 ( 0.000 0.000 0.000) 0.000 8.812 ( 0.000 0.000 0.000) 0.000 9.018 ( 0.000 0.000 0.000) 0.000 9.232 ( 0.000 0.000 0.000) 0.000 18.029 ( 0.000 0.000 0.000) 0.000 18.610 ( 0.000 0.000 0.000) 0.000 18.641 ( 0.000 0.000 0.000) 0.000 19.086 ( 0.000 0.000 0.000) 0.000 38.918 ( 0.000 0.000 0.000) 0.000 39.231 ( 0.000 0.000 0.000) 0.000 61.637 ( 0.000 0.000 0.000) 0.000 62.079 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/252) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.471 ( 21.921 0.000 17.839) 28.263 0.618 ( 30.181 0.000 10.104) 31.827 1.164 ( 58.959 0.000 -1.063) 58.969 2.507 ( 22.777 0.000 2.295) 22.893 2.766 ( 0.434 0.000 -2.725) 2.759 4.059 ( 13.086 0.000 -11.594) 17.484 4.300 ( -8.660 0.000 -0.442) 8.671 4.476 ( 1.581 0.000 0.499) 1.658 4.789 ( -4.531 0.000 32.473) 32.787 5.298 ( -2.328 0.000 -0.994) 2.531 5.380 ( 0.801 0.000 2.492) 2.617 5.836 ( -2.109 0.000 1.246) 2.449 6.541 ( 3.422 0.000 0.825) 3.520 7.156 ( -10.742 0.000 -9.241) 14.170 7.415 ( 8.217 0.000 -0.534) 8.234 7.673 ( -3.523 0.000 0.686) 3.589 7.949 ( -2.240 0.000 0.007) 2.240 8.206 ( 9.979 0.000 1.896) 10.158 8.754 ( -5.114 0.000 -0.378) 5.128 9.005 ( 14.285 0.000 -45.113) 47.320 9.039 ( 1.517 0.000 0.124) 1.522 9.828 ( -1.404 0.000 22.657) 22.700 18.099 ( -4.670 0.000 15.938) 16.608 18.610 ( 0.073 0.000 -0.512) 0.517 18.645 ( 0.348 0.000 -0.019) 0.349 19.088 ( 0.207 0.000 -0.036) 0.210 38.930 ( -2.898 0.000 -0.584) 2.956 39.205 ( -2.352 0.000 -1.489) 2.783 61.745 ( 10.201 0.000 4.131) 11.005 65.186 ( 15.731 0.000 -72.810) 74.490 ======================= Grid point 2 (3/252) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.954 ( 22.830 0.000 16.440) 28.133 1.195 ( 27.104 0.000 9.380) 28.681 2.162 ( 46.387 0.000 -1.649) 46.417 2.762 ( 0.416 0.000 -4.664) 4.683 3.035 ( 29.055 0.000 4.691) 29.431 4.019 ( -12.934 0.000 -9.593) 16.103 4.417 ( 21.451 0.000 -5.896) 22.246 4.520 ( 2.774 0.000 0.921) 2.923 4.808 ( -2.533 0.000 15.535) 15.740 5.230 ( -4.265 0.000 -1.723) 4.600 5.408 ( 1.073 0.000 2.728) 2.932 5.785 ( -3.987 0.000 2.672) 4.799 6.641 ( 6.669 0.000 1.277) 6.790 6.908 ( -11.298 0.000 -7.353) 13.480 7.527 ( -5.799 0.000 4.086) 7.094 7.604 ( 5.436 0.000 -3.207) 6.311 7.877 ( -5.628 0.000 -0.004) 5.628 8.468 ( 15.335 0.000 1.558) 15.414 8.647 ( -5.478 0.000 -0.513) 5.502 9.059 ( 0.495 0.000 0.087) 0.502 9.132 ( 10.681 0.000 -19.050) 21.840 9.914 ( 4.001 0.000 12.625) 13.244 18.059 ( -3.569 0.000 6.570) 7.477 18.608 ( 0.012 0.000 -0.700) 0.700 18.653 ( 0.558 0.000 -0.030) 0.559 19.093 ( 0.338 0.000 -0.059) 0.343 38.859 ( -4.007 0.000 -1.066) 4.146 39.139 ( -3.648 0.000 -2.453) 4.396 62.020 ( 15.801 0.000 6.555) 17.106 65.230 ( 8.699 0.000 -32.871) 34.003 ======================= Grid point 3 (4/252) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.442 ( 22.838 0.000 14.368) 26.982 1.691 ( 21.836 0.000 8.117) 23.296 2.744 ( -0.512 0.000 -5.418) 5.442 2.868 ( 28.459 0.000 -4.146) 28.759 3.544 ( 20.638 0.000 8.045) 22.151 3.719 ( -13.115 0.000 -8.839) 15.816 4.583 ( 3.465 0.000 1.243) 3.682 4.769 ( 7.484 0.000 -11.540) 13.755 4.881 ( 15.102 0.000 12.772) 19.779 5.131 ( -5.349 0.000 -2.057) 5.731 5.436 ( 1.329 0.000 0.131) 1.335 5.707 ( -5.364 0.000 3.931) 6.650 6.707 ( -7.269 0.000 -4.760) 8.689 6.799 ( 9.514 0.000 1.268) 9.598 7.377 ( -8.897 0.000 4.445) 9.945 7.713 ( 4.928 0.000 -2.994) 5.766 7.732 ( -9.705 0.000 -0.094) 9.706 8.560 ( -3.355 0.000 -0.463) 3.387 8.731 ( 10.969 0.000 0.964) 11.011 9.059 ( -0.435 0.000 0.037) 0.436 9.255 ( 7.542 0.000 -10.225) 12.706 10.067 ( 7.962 0.000 8.102) 11.359 18.018 ( -2.520 0.000 3.055) 3.960 18.605 ( -0.073 0.000 -0.573) 0.578 18.664 ( 0.551 0.000 -0.030) 0.552 19.100 ( 0.341 0.000 -0.059) 0.346 38.783 ( -3.424 0.000 -0.710) 3.496 39.061 ( -3.380 0.000 -2.615) 4.274 62.344 ( 15.097 0.000 6.438) 16.412 65.270 ( 4.921 0.000 -17.581) 18.256 ======================= Grid point 4 (5/252) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.896 ( 19.413 0.000 10.941) 22.284 2.058 ( 13.756 0.000 5.796) 14.927 2.702 ( -1.934 0.000 -4.574) 4.966 3.073 ( -5.488 0.000 -8.565) 10.173 3.612 ( 6.414 0.000 -0.351) 6.424 3.848 ( 8.771 0.000 3.520) 9.451 4.654 ( 3.255 0.000 1.239) 3.483 4.788 ( 0.344 0.000 -0.618) 0.707 5.026 ( -4.641 0.000 -1.751) 4.960 5.231 ( 14.002 0.000 0.699) 14.020 5.466 ( 2.827 0.000 -3.604) 4.580 5.620 ( -5.155 0.000 4.491) 6.836 6.604 ( -2.620 0.000 -1.971) 3.278 7.002 ( 11.320 0.000 0.950) 11.360 7.250 ( -5.652 0.000 3.162) 6.476 7.522 ( -11.992 0.000 -0.279) 11.995 7.766 ( 1.958 0.000 -2.110) 2.878 8.517 ( -1.264 0.000 -0.264) 1.291 8.876 ( 4.477 0.000 0.589) 4.515 9.048 ( -0.543 0.000 0.009) 0.543 9.334 ( 3.526 0.000 -4.541) 5.749 10.239 ( 6.816 0.000 3.776) 7.792 17.989 ( -1.256 0.000 1.209) 1.744 18.602 ( -0.072 0.000 -0.302) 0.310 18.673 ( 0.337 0.000 -0.018) 0.338 19.105 ( 0.212 0.000 -0.037) 0.215 38.731 ( -1.904 0.000 -0.203) 1.915 39.002 ( -1.925 0.000 -1.743) 2.597 62.598 ( 9.065 0.000 3.948) 9.888 65.290 ( 2.029 0.000 -7.984) 8.238 ======================= Grid point 5 (6/252) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.143 ( -0.000 0.000 0.000) 0.000 2.210 ( 0.000 0.000 0.000) 0.000 2.665 ( 0.000 0.000 0.000) 0.000 2.926 ( 0.000 0.000 0.000) 0.000 3.714 ( 0.000 0.000 0.000) 0.000 3.928 ( 0.000 0.000 -0.000) 0.000 4.693 ( 0.000 0.000 0.000) 0.000 4.790 ( 0.000 0.000 0.000) 0.000 4.971 ( 0.000 0.000 0.000) 0.000 5.359 ( 0.000 0.000 0.000) 0.000 5.505 ( -0.000 0.000 0.000) 0.000 5.568 ( 0.000 0.000 0.000) 0.000 6.579 ( 0.000 0.000 0.000) 0.000 7.173 ( 0.000 0.000 0.000) 0.000 7.200 ( 0.000 0.000 -0.000) 0.000 7.344 ( -0.000 0.000 0.000) 0.000 7.780 ( 0.000 0.000 0.000) 0.000 8.505 ( 0.000 0.000 0.000) 0.000 8.917 ( 0.000 0.000 0.000) 0.000 9.043 ( 0.000 0.000 0.000) 0.000 9.358 ( 0.000 0.000 0.000) 0.000 10.315 ( 0.000 0.000 -0.000) 0.000 17.980 ( 0.000 0.000 0.000) 0.000 18.601 ( 0.000 0.000 0.000) 0.000 18.676 ( 0.000 0.000 0.000) 0.000 19.107 ( 0.000 0.000 0.000) 0.000 38.712 ( 0.000 0.000 0.000) 0.000 38.980 ( 0.000 0.000 0.000) 0.000 62.693 ( 0.000 0.000 0.000) 0.000 65.294 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 11 (7/252) ======================= q-point: ( 0.00 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.550 ( 0.000 28.415 0.000) 28.415 0.640 ( 0.000 32.593 0.000) 32.593 1.058 ( 0.000 53.815 0.000) 53.815 2.295 ( 0.000 2.710 0.000) 2.710 2.969 ( 0.000 19.853 0.000) 19.853 3.618 ( 0.000 4.978 0.000) 4.978 4.339 ( 0.000 -6.119 0.000) 6.119 4.615 ( 0.000 -3.131 0.000) 3.131 4.850 ( 0.000 -1.579 0.000) 1.579 5.310 ( 0.000 -1.363 0.000) 1.363 5.419 ( 0.000 4.810 0.000) 4.810 5.838 ( 0.000 -1.664 0.000) 1.664 6.296 ( 0.000 -0.405 0.000) 0.405 7.300 ( 0.000 -2.901 0.000) 2.901 7.403 ( 0.000 -18.135 0.000) 18.135 7.686 ( 0.000 0.191 0.000) 0.191 8.060 ( 0.000 -4.983 0.000) 4.983 8.143 ( 0.000 9.561 0.000) 9.561 8.722 ( 0.000 -5.695 0.000) 5.695 8.792 ( 0.000 0.306 0.000) 0.306 9.377 ( 0.000 12.027 0.000) 12.027 9.904 ( 0.000 -0.856 0.000) 0.856 18.020 ( 0.000 -0.951 0.000) 0.951 18.583 ( 0.000 -2.665 0.000) 2.665 19.108 ( 0.000 2.138 0.000) 2.138 19.317 ( 0.000 1.240 0.000) 1.240 38.918 ( 0.000 -0.008 0.000) 0.008 39.224 ( 0.000 -0.720 0.000) 0.720 61.650 ( 0.000 1.277 0.000) 1.277 62.081 ( 0.000 0.195 0.000) 0.195 ======================= Grid point 12 (8/252) ======================= q-point: ( 0.10 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.717 ( 12.890 23.654 1.207) 26.965 0.974 ( 24.155 22.860 5.776) 33.755 1.497 ( 40.534 33.285 3.803) 52.587 2.516 ( 21.041 1.123 2.298) 21.196 2.968 ( 0.298 19.538 -2.905) 19.755 3.824 ( 14.221 -8.415 -0.927) 16.550 4.259 ( -7.579 -4.022 -1.935) 8.795 4.584 ( 1.698 -0.600 -10.190) 10.348 4.872 ( -3.340 4.823 24.058) 24.763 5.291 ( -2.177 -0.837 -0.207) 2.341 5.339 ( -1.707 -0.167 2.150) 2.751 5.807 ( -1.914 -1.707 0.183) 2.571 6.584 ( 14.256 0.009 -2.492) 14.473 7.217 ( -11.376 -3.099 -1.989) 11.957 7.371 ( 1.115 -0.704 -2.036) 2.426 7.654 ( -4.620 -1.910 0.757) 5.056 7.906 ( 0.794 -3.233 -2.582) 4.213 8.301 ( 8.891 7.340 2.195) 11.736 8.638 ( -6.723 -7.045 -3.136) 10.231 8.945 ( 9.944 -4.498 -3.555) 11.478 9.257 ( -0.689 15.634 -24.387) 28.976 9.847 ( -3.043 1.655 18.981) 19.294 18.044 ( -0.393 -2.845 6.971) 7.540 18.563 ( -1.447 -2.653 -1.468) 3.360 18.935 ( -15.012 16.057 1.040) 22.006 19.116 ( -0.710 3.025 1.453) 3.430 38.914 ( -1.694 -1.011 -0.430) 2.019 39.177 ( -3.254 -1.875 -0.799) 3.840 61.742 ( 9.425 -0.228 3.560) 10.077 63.928 ( 88.097 -76.494 -36.491) 122.246 ======================= Grid point 13 (9/252) ======================= q-point: ( 0.20 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.050 ( 19.646 11.917 7.127) 24.058 1.441 ( 22.542 19.413 10.065) 31.406 2.310 ( 40.345 15.665 -0.633) 43.284 2.909 ( 5.632 10.987 -1.996) 12.507 3.054 ( 21.332 5.275 2.011) 22.066 3.971 ( -6.524 -5.407 -6.989) 10.984 4.179 ( 9.291 -9.726 0.805) 13.474 4.622 ( 5.483 -2.537 -9.753) 11.473 4.893 ( -1.672 7.332 16.365) 18.010 5.236 ( -2.911 1.300 -0.841) 3.297 5.364 ( 2.058 -3.543 2.744) 4.932 5.764 ( -3.011 -1.194 1.109) 3.424 6.729 ( 3.367 2.338 -1.895) 4.516 6.975 ( -10.528 8.296 -3.770) 13.924 7.390 ( 0.575 -11.816 -0.516) 11.841 7.547 ( -6.263 -1.162 1.419) 6.526 7.985 ( 2.507 5.375 -0.503) 5.952 8.485 ( 7.808 -0.211 0.001) 7.811 8.533 ( 0.564 -7.608 -0.708) 7.662 9.036 ( 0.992 -1.870 0.346) 2.145 9.268 ( 7.936 10.855 -16.202) 21.055 9.929 ( 5.001 2.272 12.656) 13.797 18.038 ( -2.236 -1.800 5.019) 5.782 18.538 ( -0.491 -3.715 -1.475) 4.027 18.794 ( -3.250 9.573 0.603) 10.128 19.113 ( -0.120 1.993 0.384) 2.033 38.857 ( -3.638 -0.135 -0.950) 3.763 39.107 ( -3.555 -2.743 -1.897) 4.875 61.995 ( 14.632 -2.387 5.945) 15.973 64.771 ( 27.082 -40.713 -25.901) 55.334 ======================= Grid point 14 (10/252) ======================= q-point: ( 0.30 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.471 ( 21.155 4.765 9.466) 23.661 1.882 ( 20.031 16.240 8.910) 27.283 2.863 ( 6.963 9.769 -7.209) 13.996 2.964 ( 16.072 11.830 -1.902) 20.047 3.508 ( 19.660 -3.660 6.592) 21.056 3.724 ( -12.214 0.625 -6.045) 13.643 4.412 ( 10.183 -12.458 2.031) 16.218 4.698 ( 6.015 -6.826 -10.661) 14.015 4.932 ( 0.058 0.633 9.182) 9.204 5.213 ( 2.330 7.692 -0.088) 8.038 5.413 ( 2.420 -2.348 0.794) 3.464 5.702 ( -4.098 0.027 1.953) 4.540 6.692 ( -4.998 -1.344 -4.222) 6.679 6.884 ( 1.520 6.083 0.089) 6.271 7.372 ( -3.305 -4.790 3.233) 6.657 7.453 ( -3.478 -7.327 -0.183) 8.113 7.926 ( -6.615 6.166 -1.196) 9.122 8.510 ( 0.709 -4.732 -1.164) 4.924 8.715 ( 10.132 -1.701 1.063) 10.329 9.047 ( 1.003 -0.166 0.021) 1.017 9.363 ( 5.944 9.165 -8.682) 13.953 10.105 ( 9.223 4.419 7.564) 12.720 18.009 ( -2.046 -0.831 2.651) 3.450 18.530 ( 0.038 -4.557 -0.896) 4.645 18.762 ( -0.814 6.678 0.159) 6.729 19.113 ( -0.003 1.331 0.138) 1.339 38.785 ( -3.382 0.218 -0.658) 3.453 39.037 ( -2.979 -2.282 -2.237) 4.369 62.295 ( 13.960 -4.872 5.896) 15.918 65.025 ( 10.458 -23.872 -15.357) 30.251 ======================= Grid point 15 (11/252) ======================= q-point: ( 0.40 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.884 ( 18.006 0.425 8.486) 19.910 2.231 ( 13.230 15.539 5.796) 21.215 2.833 ( -1.938 11.887 -4.861) 12.988 3.103 ( -5.374 3.597 -7.198) 9.676 3.619 ( 3.906 0.958 0.679) 4.078 3.800 ( 9.123 -4.850 2.991) 10.756 4.536 ( 2.726 -10.242 1.867) 10.762 4.767 ( 4.622 -3.731 -6.707) 8.959 4.920 ( -3.124 -7.066 3.930) 8.668 5.323 ( 6.141 5.304 1.141) 8.195 5.470 ( 4.366 0.232 -2.286) 4.934 5.628 ( -4.351 1.369 2.040) 4.997 6.602 ( -2.630 -0.250 -2.232) 3.459 6.951 ( 4.220 -4.740 0.492) 6.365 7.315 ( -2.789 4.971 3.189) 6.531 7.395 ( -3.429 -9.237 -0.088) 9.853 7.800 ( -4.936 1.597 -1.620) 5.435 8.506 ( -0.620 -1.333 -0.488) 1.549 8.859 ( 4.717 -1.928 0.561) 5.127 9.076 ( 1.667 2.470 0.087) 2.981 9.420 ( 2.498 8.483 -3.944) 9.683 10.291 ( 7.298 5.672 3.408) 9.851 17.985 ( -1.089 -0.388 1.084) 1.585 18.529 ( 0.065 -4.811 -0.401) 4.828 18.754 ( -0.174 5.628 0.022) 5.631 19.114 ( 0.030 0.877 0.043) 0.879 38.732 ( -1.968 0.176 -0.203) 1.987 38.986 ( -1.598 -1.532 -1.536) 2.695 62.529 ( 8.369 -6.832 3.624) 11.395 65.111 ( 3.728 -17.924 -7.196) 19.671 ======================= Grid point 16 (12/252) ======================= q-point: (-0.50 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.109 ( 0.000 -2.139 0.000) 2.139 2.369 ( 0.000 15.345 0.000) 15.345 2.814 ( 0.000 13.374 0.000) 13.374 2.962 ( 0.000 3.490 0.000) 3.490 3.690 ( 0.000 -2.173 0.000) 2.173 3.887 ( 0.000 -4.180 -0.000) 4.180 4.559 ( 0.000 -10.790 0.000) 10.790 4.810 ( 0.000 0.011 0.000) 0.011 4.885 ( 0.000 -8.266 0.000) 8.266 5.381 ( 0.000 0.803 0.000) 0.803 5.552 ( -0.000 3.970 0.000) 3.970 5.555 ( 0.000 -0.488 -0.000) 0.488 6.575 ( 0.000 -0.285 0.000) 0.285 7.002 ( 0.000 -10.351 0.000) 10.351 7.307 ( 0.000 3.275 0.000) 3.275 7.339 ( -0.000 -0.486 0.000) 0.486 7.751 ( -0.000 -1.626 0.000) 1.626 8.497 ( 0.000 -1.059 0.000) 1.059 8.903 ( 0.000 -1.660 0.000) 1.660 9.095 ( 0.000 4.181 0.000) 4.181 9.435 ( 0.000 8.098 0.000) 8.098 10.371 ( 0.000 5.963 -0.000) 5.963 17.977 ( 0.000 -0.264 0.000) 0.264 18.529 ( 0.000 -4.853 0.000) 4.853 18.753 ( 0.000 5.351 0.000) 5.351 19.114 ( 0.000 0.717 0.000) 0.717 38.713 ( 0.000 0.106 0.000) 0.106 38.968 ( 0.000 -1.193 0.000) 1.193 62.617 ( 0.000 -7.576 0.000) 7.576 65.131 ( 0.000 -16.446 0.000) 16.446 ======================= Grid point 22 (13/252) ======================= q-point: ( 0.00 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.093 ( 0.000 27.673 0.000) 27.673 1.247 ( 0.000 29.940 0.000) 29.940 2.055 ( 0.000 48.497 0.000) 48.497 2.370 ( 0.000 5.276 0.000) 5.276 3.464 ( 0.000 28.906 0.000) 28.906 3.764 ( 0.000 10.538 0.000) 10.538 4.176 ( 0.000 -10.361 0.000) 10.361 4.533 ( 0.000 -4.957 0.000) 4.957 4.822 ( 0.000 -0.954 0.000) 0.954 5.268 ( 0.000 -2.908 0.000) 2.908 5.526 ( 0.000 5.601 0.000) 5.601 5.791 ( 0.000 -3.085 0.000) 3.085 6.286 ( 0.000 -0.463 0.000) 0.463 7.066 ( 0.000 -15.799 0.000) 15.799 7.217 ( 0.000 -5.644 0.000) 5.644 7.661 ( 0.000 -4.212 0.000) 4.212 7.967 ( 0.000 -2.848 0.000) 2.848 8.213 ( 0.000 -2.343 0.000) 2.343 8.691 ( 0.000 2.716 0.000) 2.716 8.787 ( 0.000 -1.144 0.000) 1.144 9.620 ( 0.000 12.090 0.000) 12.090 9.881 ( 0.000 -1.545 0.000) 1.545 17.997 ( 0.000 -1.189 0.000) 1.189 18.513 ( 0.000 -4.458 0.000) 4.458 19.163 ( 0.000 3.427 0.000) 3.427 19.347 ( 0.000 1.753 0.000) 1.753 38.919 ( 0.000 0.112 0.000) 0.112 39.203 ( 0.000 -1.385 0.000) 1.385 61.686 ( 0.000 2.435 0.000) 2.435 62.085 ( 0.000 0.212 0.000) 0.212 ======================= Grid point 23 (14/252) ======================= q-point: ( 0.10 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.223 ( 7.117 26.900 0.287) 27.827 1.403 ( 18.772 22.158 -1.263) 29.068 2.264 ( 20.139 41.646 4.854) 46.514 2.553 ( 17.605 2.851 1.783) 17.923 3.454 ( -0.766 28.971 -3.267) 29.164 3.789 ( 2.938 2.848 -0.918) 4.194 4.149 ( -2.975 -6.780 -0.742) 7.441 4.511 ( -0.444 -5.188 -4.701) 7.015 4.893 ( 3.675 -1.154 9.471) 10.224 5.239 ( -3.134 -3.729 1.907) 5.231 5.428 ( -5.272 6.935 1.682) 8.872 5.772 ( -1.364 -2.199 0.157) 2.593 6.529 ( 14.784 -4.927 -2.906) 15.852 7.043 ( 2.582 -10.641 -2.042) 11.138 7.363 ( 5.577 -2.064 -1.928) 6.251 7.568 ( -6.784 -7.718 -0.167) 10.277 7.879 ( 0.434 1.247 -1.471) 1.977 8.348 ( 6.666 -4.609 1.509) 8.244 8.571 ( -8.747 1.131 -0.132) 8.821 8.878 ( 6.453 -2.260 -0.644) 6.867 9.538 ( -3.106 12.608 -17.541) 21.824 9.893 ( 0.690 3.335 15.522) 15.891 18.003 ( -0.103 -1.598 2.555) 3.015 18.496 ( -1.349 -4.193 -1.339) 4.604 19.124 ( -6.127 5.258 -2.831) 8.556 19.212 ( -7.354 5.962 4.288) 10.393 38.903 ( -1.643 -0.149 -0.269) 1.672 39.146 ( -4.823 -1.452 -0.291) 5.045 61.743 ( 6.918 0.431 2.425) 7.344 62.934 ( 67.431 -31.154 -12.993) 75.408 ======================= Grid point 24 (15/252) ======================= q-point: ( 0.20 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.385 ( 11.125 21.010 -0.011) 23.773 1.800 ( 20.570 16.686 5.456) 27.043 2.743 ( 25.454 26.894 1.633) 37.066 2.960 ( 22.117 -1.261 3.310) 22.399 3.411 ( -1.845 25.838 -4.837) 26.351 3.844 ( 0.563 -6.176 -0.354) 6.211 4.083 ( -0.489 -1.813 -1.944) 2.703 4.505 ( 1.862 -7.518 -6.217) 9.932 4.959 ( -1.381 -0.056 8.480) 8.591 5.203 ( -0.409 -5.547 4.050) 6.880 5.400 ( 1.496 7.472 -0.779) 7.660 5.742 ( -1.958 -1.570 0.670) 2.598 6.654 ( 1.752 -8.244 -3.711) 9.209 7.092 ( -2.559 0.052 -2.256) 3.412 7.236 ( -6.962 -3.257 -1.529) 7.837 7.552 ( -0.860 1.547 1.866) 2.572 8.025 ( 8.814 -0.582 -0.918) 8.881 8.318 ( -4.961 -9.709 -1.522) 11.009 8.538 ( 4.921 0.930 1.719) 5.295 8.981 ( 3.944 -3.953 0.236) 5.589 9.488 ( 3.933 11.443 -11.074) 16.402 10.031 ( 8.510 8.344 9.947) 15.524 18.004 ( -0.934 -1.545 2.785) 3.319 18.464 ( -1.163 -4.053 -1.644) 4.525 18.972 ( -6.253 8.308 -0.134) 10.399 19.165 ( -1.401 3.231 1.387) 3.785 38.856 ( -3.025 0.144 -0.679) 3.103 39.054 ( -4.209 -2.398 -0.998) 4.946 61.936 ( 11.362 -3.460 4.470) 12.691 63.941 ( 41.410 -40.804 -14.774) 59.984 ======================= Grid point 25 (16/252) ======================= q-point: ( 0.30 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.641 ( 14.915 12.218 3.070) 19.523 2.202 ( 19.612 14.930 6.694) 25.541 3.083 ( 7.977 13.351 -6.551) 16.876 3.290 ( 7.616 13.957 -1.511) 15.971 3.433 ( 9.375 1.655 4.855) 10.687 3.745 ( -7.469 1.543 -0.703) 7.659 4.191 ( 8.819 -9.590 0.633) 13.044 4.538 ( 4.658 -8.843 -8.391) 13.050 4.906 ( -5.567 -2.296 5.378) 8.074 5.254 ( 2.930 -5.079 4.583) 7.442 5.454 ( 4.383 7.567 -2.146) 9.005 5.704 ( -2.397 -0.553 1.006) 2.658 6.632 ( -1.716 -5.550 -4.441) 7.312 6.941 ( -7.891 -0.936 -0.855) 7.992 7.191 ( -0.221 -6.130 -1.128) 6.237 7.513 ( -4.177 6.037 4.275) 8.496 7.965 ( -9.012 -0.988 -0.780) 9.099 8.400 ( 7.174 -6.308 -1.724) 9.707 8.664 ( 7.515 -3.585 1.492) 8.459 9.042 ( 3.266 -1.413 0.133) 3.561 9.567 ( 6.178 11.970 -5.680) 14.619 10.255 ( 11.491 10.955 5.381) 16.763 17.991 ( -1.174 -0.913 1.782) 2.321 18.444 ( -0.434 -4.406 -1.133) 4.571 18.894 ( -2.479 6.774 0.058) 7.214 19.148 ( -0.879 2.141 0.575) 2.384 38.792 ( -3.280 0.525 -0.527) 3.363 38.987 ( -2.464 -2.509 -1.434) 3.797 62.169 ( 10.841 -7.766 4.552) 14.091 64.438 ( 18.570 -34.566 -10.617) 40.649 ======================= Grid point 26 (17/252) ======================= q-point: ( 0.40 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.934 ( 13.492 4.775 4.360) 14.962 2.567 ( 15.756 16.680 4.793) 23.440 3.045 ( -3.978 7.740 -8.292) 12.020 3.271 ( -7.884 14.623 -1.811) 16.711 3.630 ( 3.538 -4.568 8.479) 10.260 3.704 ( 5.485 0.529 -3.806) 6.697 4.311 ( 2.982 -11.986 1.206) 12.410 4.620 ( 6.207 -10.358 -7.076) 13.996 4.826 ( -4.167 -2.855 4.389) 6.691 5.314 ( 1.859 -5.293 2.186) 6.021 5.532 ( 4.171 5.388 -1.603) 7.000 5.659 ( -2.657 0.906 0.462) 2.845 6.587 ( -1.039 -1.732 -3.104) 3.704 6.829 ( -3.939 -7.518 0.042) 8.487 7.220 ( 3.714 -5.587 0.005) 6.709 7.430 ( -5.953 4.002 3.148) 7.834 7.816 ( -5.669 0.795 -0.556) 5.752 8.460 ( 0.752 -3.458 -1.085) 3.701 8.799 ( 5.187 -4.304 0.783) 6.786 9.111 ( 3.531 0.143 0.078) 3.535 9.645 ( 3.231 14.598 -2.488) 15.157 10.463 ( 8.078 11.837 2.367) 14.525 17.977 ( -0.710 -0.417 0.777) 1.132 18.437 ( -0.099 -4.718 -0.523) 4.748 18.865 ( -0.817 5.754 0.006) 5.811 19.136 ( -0.445 1.410 0.226) 1.496 38.739 ( -2.077 0.526 -0.195) 2.152 38.950 ( -1.001 -1.891 -1.056) 2.386 62.350 ( 6.472 -11.130 2.819) 13.180 64.636 ( 6.760 -30.100 -5.345) 31.309 ======================= Grid point 27 (18/252) ======================= q-point: (-0.50 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.095 ( 0.000 0.860 0.000) 0.860 2.734 ( 0.000 20.358 0.000) 20.358 3.050 ( 0.000 5.258 0.000) 5.258 3.089 ( 0.000 12.279 -0.000) 12.279 3.669 ( 0.000 1.959 0.000) 1.959 3.771 ( 0.000 -7.540 -0.000) 7.540 4.335 ( 0.000 -11.410 0.000) 11.410 4.675 ( 0.000 -13.041 0.000) 13.041 4.792 ( 0.000 -1.236 0.000) 1.236 5.336 ( 0.000 -5.283 0.000) 5.283 5.585 ( -0.000 3.143 0.000) 3.143 5.618 ( 0.000 1.967 0.000) 1.967 6.574 ( 0.000 0.200 0.000) 0.200 6.792 ( 0.000 -11.227 0.000) 11.227 7.312 ( 0.000 -1.689 -0.000) 1.689 7.325 ( -0.000 -0.928 0.000) 0.928 7.761 ( -0.000 2.565 0.000) 2.565 8.460 ( 0.000 -2.781 0.000) 2.781 8.849 ( 0.000 -3.928 0.000) 3.928 9.149 ( 0.000 0.492 -0.000) 0.492 9.670 ( 0.000 15.936 0.000) 15.936 10.547 ( 0.000 12.003 -0.000) 12.003 17.971 ( 0.000 -0.250 0.000) 0.250 18.435 ( 0.000 -4.817 0.000) 4.817 18.858 ( 0.000 5.445 0.000) 5.445 19.133 ( 0.000 1.146 0.000) 1.146 38.718 ( 0.000 0.483 0.000) 0.483 38.939 ( 0.000 -1.562 0.000) 1.562 62.418 ( 0.000 -12.401 0.000) 12.401 64.686 ( 0.000 -28.743 0.000) 28.743 ======================= Grid point 33 (19/252) ======================= q-point: ( 0.00 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.609 ( 0.000 25.394 0.000) 25.394 1.785 ( 0.000 25.509 0.000) 25.509 2.454 ( 0.000 5.172 0.000) 5.172 2.936 ( 0.000 39.523 0.000) 39.523 3.889 ( 0.000 12.800 0.000) 12.800 3.960 ( 0.000 -11.216 0.000) 11.216 4.142 ( 0.000 28.409 0.000) 28.409 4.451 ( 0.000 -1.857 0.000) 1.857 4.821 ( 0.000 1.076 0.000) 1.076 5.205 ( 0.000 -3.306 0.000) 3.306 5.603 ( 0.000 1.051 0.000) 1.051 5.732 ( 0.000 -2.048 0.000) 2.048 6.280 ( 0.000 -0.167 0.000) 0.167 6.813 ( 0.000 -10.201 0.000) 10.201 7.085 ( 0.000 -7.875 0.000) 7.875 7.501 ( 0.000 -11.466 0.000) 11.466 7.987 ( 0.000 4.204 0.000) 4.204 8.124 ( 0.000 -5.230 0.000) 5.230 8.743 ( 0.000 -3.406 0.000) 3.406 8.766 ( 0.000 3.737 0.000) 3.737 9.820 ( 0.000 8.222 0.000) 8.222 9.847 ( 0.000 -1.824 0.000) 1.824 17.979 ( 0.000 -0.604 0.000) 0.604 18.417 ( 0.000 -5.295 0.000) 5.295 19.233 ( 0.000 3.696 0.000) 3.696 19.380 ( 0.000 1.568 0.000) 1.568 38.924 ( 0.000 0.426 0.000) 0.426 39.171 ( 0.000 -1.937 0.000) 1.937 61.742 ( 0.000 3.338 0.000) 3.338 62.087 ( 0.000 -0.080 0.000) 0.080 ======================= Grid point 34 (20/252) ======================= q-point: ( 0.10 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.723 ( 7.566 24.329 2.290) 25.581 1.824 ( 7.546 21.039 -3.788) 22.670 2.593 ( 13.144 2.566 2.691) 13.660 3.034 ( 9.761 34.704 0.829) 36.060 3.818 ( -6.042 -1.088 3.079) 6.868 3.976 ( 3.188 11.030 -16.425) 20.040 4.127 ( -3.094 17.780 8.306) 19.867 4.434 ( -1.976 -0.930 0.996) 2.400 4.873 ( 4.115 -0.309 3.003) 5.103 5.163 ( -4.569 -3.795 2.296) 6.368 5.547 ( -2.901 4.248 1.156) 5.272 5.718 ( -1.429 -3.036 0.197) 3.362 6.424 ( 7.965 -5.206 -2.027) 9.729 6.864 ( 9.701 -7.571 -3.257) 12.730 7.286 ( 16.539 -6.178 -1.527) 17.721 7.379 ( -10.197 -10.520 -0.129) 14.651 7.945 ( -1.731 5.027 -0.307) 5.325 8.212 ( 4.165 -7.396 1.420) 8.607 8.587 ( -8.290 -1.011 0.632) 8.375 8.847 ( 2.117 -1.353 -0.096) 2.515 9.725 ( -2.531 6.813 -10.602) 12.854 9.983 ( 8.449 5.670 9.930) 14.217 17.981 ( -0.058 -0.689 1.053) 1.260 18.405 ( -0.959 -5.040 -1.044) 5.236 19.208 ( -2.803 3.925 -1.937) 5.198 19.305 ( -6.366 3.659 2.720) 7.831 38.907 ( -1.673 0.467 -0.188) 1.747 39.118 ( -4.905 -1.516 -0.077) 5.135 61.762 ( 3.476 1.657 1.463) 4.120 62.529 ( 39.553 -14.028 -5.177) 42.285 ======================= Grid point 35 (21/252) ======================= q-point: ( 0.20 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.808 ( 4.319 21.739 -2.218) 22.274 2.087 ( 16.904 13.182 2.371) 21.567 2.906 ( 17.188 -3.180 4.210) 17.979 3.254 ( 10.703 21.820 -1.344) 24.341 3.728 ( -2.372 -4.253 -2.074) 5.293 3.941 ( -3.683 24.933 -4.053) 25.527 4.095 ( -1.164 3.882 -0.002) 4.052 4.398 ( -1.456 -1.257 0.444) 1.974 4.939 ( -0.657 -1.169 3.054) 3.336 5.092 ( -1.794 -5.250 3.998) 6.839 5.544 ( 1.964 6.069 -0.665) 6.413 5.685 ( -2.060 -4.481 0.783) 4.994 6.484 ( 1.688 -7.854 -4.301) 9.113 7.031 ( 0.387 -5.268 -1.752) 5.565 7.184 ( -4.666 -2.730 -0.470) 5.426 7.557 ( 7.480 -2.331 -0.583) 7.856 7.998 ( 7.807 -1.369 -1.069) 7.998 8.175 ( -6.073 -4.712 1.174) 7.776 8.517 ( 0.131 -3.090 1.573) 3.470 8.883 ( 3.034 -6.066 0.491) 6.800 9.710 ( 4.675 11.704 -6.095) 14.000 10.222 ( 13.396 10.383 5.531) 17.828 17.982 ( -0.335 -0.659 1.329) 1.521 18.380 ( -1.103 -4.625 -1.399) 4.956 19.108 ( -5.847 5.828 -1.104) 8.329 19.230 ( -2.892 3.253 2.044) 4.809 38.864 ( -2.675 0.636 -0.420) 2.782 39.019 ( -4.830 -1.383 -0.404) 5.040 61.874 ( 6.837 -2.645 2.851) 7.866 63.260 ( 35.834 -29.742 -7.418) 47.156 ======================= Grid point 36 (22/252) ======================= q-point: ( 0.30 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.909 ( 7.166 14.658 -0.986) 16.345 2.429 ( 18.245 8.830 3.215) 20.523 3.217 ( 12.567 -8.964 1.626) 15.522 3.316 ( -2.080 7.665 -2.951) 8.472 3.759 ( 2.711 -1.288 1.816) 3.508 3.800 ( -8.289 23.254 -0.345) 24.690 4.095 ( 1.275 0.921 -2.350) 2.828 4.401 ( 1.881 -3.676 -2.247) 4.701 4.869 ( -5.466 -1.083 2.844) 6.256 5.135 ( 2.976 -6.020 2.975) 7.345 5.587 ( 2.536 4.944 -3.023) 6.325 5.656 ( -1.350 -4.564 2.267) 5.272 6.494 ( 1.332 -7.379 -4.644) 8.820 6.876 ( -10.187 -4.845 -0.685) 11.301 7.166 ( -0.627 2.256 -0.937) 2.522 7.577 ( -3.959 -0.452 2.247) 4.575 7.955 ( -7.561 1.190 0.952) 7.713 8.275 ( 9.809 -6.286 -1.627) 11.764 8.574 ( 5.373 -5.734 1.543) 8.007 8.968 ( 5.132 -6.338 0.411) 8.166 9.833 ( 8.828 15.493 -3.158) 18.109 10.498 ( 13.523 13.142 2.951) 19.086 17.978 ( -0.490 -0.338 0.945) 1.116 18.359 ( -0.661 -4.508 -1.079) 4.682 19.016 ( -3.442 5.783 -0.298) 6.737 19.191 ( -1.915 2.223 0.934) 3.079 38.806 ( -3.132 0.899 -0.369) 3.280 38.948 ( -2.361 -1.449 -0.709) 2.860 62.016 ( 6.577 -7.516 2.998) 10.427 63.760 ( 19.955 -34.473 -6.232) 40.316 ======================= Grid point 37 (23/252) ======================= q-point: ( 0.40 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.055 ( 7.322 7.168 0.836) 10.281 2.792 ( 19.153 5.963 1.147) 20.093 3.162 ( -6.426 4.209 -7.273) 10.579 3.411 ( -3.525 -10.033 10.126) 14.684 3.602 ( -3.815 10.928 -1.590) 11.684 3.835 ( 1.529 10.333 -2.184) 10.672 4.126 ( 2.524 -5.077 0.072) 5.670 4.417 ( -0.109 -9.543 -2.001) 9.751 4.801 ( -2.264 0.434 1.365) 2.679 5.192 ( 1.970 -6.482 1.317) 6.902 5.606 ( 0.915 0.098 -2.839) 2.984 5.648 ( -0.828 -0.790 2.199) 2.479 6.512 ( 2.524 -6.122 -2.953) 7.250 6.703 ( -7.748 -4.571 -0.516) 9.010 7.185 ( 3.668 1.517 0.028) 3.969 7.460 ( -8.426 -0.484 1.700) 8.609 7.852 ( -3.578 2.832 1.295) 4.744 8.379 ( 2.539 -4.563 -1.656) 5.478 8.696 ( 5.498 -6.224 1.008) 8.365 9.060 ( 4.036 -5.438 0.217) 6.775 9.973 ( 5.926 18.906 -1.351) 19.859 10.721 ( 8.600 14.018 1.306) 16.498 17.972 ( -0.328 0.010 0.428) 0.539 18.347 ( -0.256 -4.589 -0.536) 4.628 18.972 ( -1.383 5.172 -0.104) 5.355 19.165 ( -1.044 1.457 0.389) 1.835 38.754 ( -2.063 1.059 -0.164) 2.325 38.919 ( -0.680 -1.267 -0.570) 1.547 62.126 ( 3.891 -11.326 1.879) 12.122 63.997 ( 7.950 -34.902 -3.383) 35.955 ======================= Grid point 38 (24/252) ======================= q-point: (-0.50 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.138 ( 0.000 3.329 0.000) 3.329 3.053 ( 0.000 9.874 0.000) 9.874 3.142 ( 0.000 2.732 -0.000) 2.732 3.191 ( -0.000 -1.458 0.000) 1.458 3.633 ( 0.000 -4.730 0.000) 4.730 3.832 ( -0.000 13.975 -0.000) 13.975 4.162 ( 0.000 -5.235 0.000) 5.235 4.402 ( -0.000 -14.653 0.000) 14.653 4.784 ( 0.000 0.936 0.000) 0.936 5.213 ( 0.000 -6.611 0.000) 6.611 5.610 ( -0.000 -2.761 0.000) 2.761 5.640 ( 0.000 1.846 -0.000) 1.846 6.580 ( -0.001 -10.306 0.000) 10.306 6.580 ( 0.001 0.206 -0.000) 0.206 7.290 ( 0.000 0.126 -0.000) 0.126 7.312 ( -0.000 -0.097 0.000) 0.097 7.823 ( -0.000 3.370 0.000) 3.370 8.395 ( 0.000 -3.649 0.000) 3.649 8.753 ( 0.000 -6.006 0.000) 6.006 9.102 ( 0.000 -5.252 -0.000) 5.252 10.028 ( 0.000 20.439 0.000) 20.439 10.808 ( 0.000 14.137 0.000) 14.137 17.970 ( 0.000 0.148 0.000) 0.148 18.344 ( 0.000 -4.639 0.000) 4.639 18.959 ( 0.000 4.919 0.000) 4.919 19.156 ( 0.000 1.164 0.000) 1.164 38.733 ( 0.000 1.126 0.000) 1.126 38.912 ( 0.000 -1.157 0.000) 1.157 62.167 ( 0.000 -12.766 0.000) 12.766 64.062 ( 0.000 -34.795 0.000) 34.795 ======================= Grid point 44 (25/252) ======================= q-point: ( 0.00 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.055 ( 0.000 20.299 0.000) 20.299 2.226 ( 0.000 20.240 0.000) 20.240 2.543 ( 0.000 3.928 0.000) 3.928 3.460 ( 0.000 6.451 0.000) 6.451 3.859 ( 0.000 8.301 0.000) 8.301 4.063 ( 0.000 5.094 0.000) 5.094 4.451 ( 0.000 8.604 0.000) 8.604 4.731 ( 0.000 24.532 0.000) 24.532 4.878 ( 0.000 5.245 0.000) 5.245 5.165 ( 0.000 0.382 0.000) 0.382 5.543 ( 0.000 -5.932 0.000) 5.932 5.722 ( 0.000 -0.653 0.000) 0.653 6.280 ( 0.000 0.158 0.000) 0.158 6.674 ( 0.000 -4.301 0.000) 4.301 6.919 ( 0.000 -9.236 0.000) 9.236 7.256 ( 0.000 -13.168 0.000) 13.168 8.045 ( 0.000 -2.520 0.000) 2.520 8.096 ( 0.000 6.329 0.000) 6.329 8.662 ( 0.000 -4.603 0.000) 4.603 8.811 ( 0.000 0.728 0.000) 0.728 9.816 ( 0.000 -1.308 0.000) 1.308 9.929 ( 0.000 3.050 0.000) 3.050 17.978 ( 0.000 0.519 0.000) 0.519 18.313 ( 0.000 -5.424 0.000) 5.424 19.301 ( 0.000 3.242 0.000) 3.242 19.405 ( 0.000 0.997 0.000) 0.997 38.936 ( 0.000 0.917 0.000) 0.917 39.130 ( 0.000 -2.316 0.000) 2.316 61.812 ( 0.000 3.845 0.000) 3.845 62.080 ( 0.000 -0.716 0.000) 0.716 ======================= Grid point 45 (26/252) ======================= q-point: ( 0.10 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.130 ( 7.274 17.048 1.274) 18.579 2.212 ( -0.985 19.194 -1.920) 19.315 2.633 ( 8.456 1.683 2.166) 8.889 3.467 ( 0.596 2.802 -1.596) 3.279 3.799 ( -4.765 8.915 -0.618) 10.127 4.078 ( 2.045 2.980 -4.541) 5.804 4.472 ( 0.367 12.371 4.528) 13.178 4.672 ( -6.225 23.180 1.831) 24.071 4.900 ( 2.193 3.659 -0.541) 4.300 5.110 ( -5.476 -1.052 1.481) 5.769 5.540 ( -0.589 -4.755 3.773) 6.098 5.686 ( -2.429 -0.731 -3.358) 4.208 6.346 ( 3.769 -2.604 -1.657) 4.872 6.750 ( 10.895 -4.324 -2.547) 11.995 7.100 ( 10.344 -11.779 -0.095) 15.677 7.215 ( 2.173 -7.035 -0.938) 7.423 8.047 ( -4.259 3.507 0.471) 5.537 8.108 ( 3.971 -1.385 0.943) 4.310 8.532 ( -8.884 -4.147 0.831) 9.839 8.809 ( -2.834 -2.902 0.303) 4.067 9.826 ( 3.526 4.357 -4.707) 7.319 10.081 ( 13.271 3.749 4.157) 14.403 17.979 ( 0.007 0.488 0.385) 0.622 18.305 ( -0.604 -5.227 -0.736) 5.313 19.278 ( -2.318 3.303 -1.227) 4.218 19.359 ( -4.467 1.978 1.633) 5.151 38.920 ( -1.590 0.955 -0.118) 1.859 39.086 ( -4.163 -1.750 0.021) 4.516 61.807 ( 0.609 2.944 0.809) 3.113 62.321 ( 22.286 -8.487 -2.218) 23.951 ======================= Grid point 46 (27/252) ======================= q-point: ( 0.20 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.182 ( -0.890 15.644 -3.016) 15.957 2.316 ( 11.155 11.066 2.311) 15.882 2.836 ( 10.819 -3.732 3.585) 11.993 3.442 ( -3.071 -3.672 -2.585) 5.440 3.730 ( -1.499 6.854 -1.446) 7.164 4.103 ( 2.348 0.387 -4.982) 5.521 4.434 ( -8.052 20.505 2.541) 22.175 4.551 ( -5.508 16.616 4.591) 18.097 4.933 ( -0.082 0.964 -1.700) 1.956 5.017 ( -2.922 -2.153 3.762) 5.228 5.544 ( -1.195 -6.994 4.401) 8.349 5.636 ( -0.441 0.264 -5.261) 5.286 6.379 ( 1.557 -2.916 -4.066) 5.240 6.892 ( -2.194 -8.821 -0.442) 9.100 7.146 ( 6.833 -1.090 -0.006) 6.920 7.467 ( 11.404 -6.015 -1.666) 13.000 7.989 ( 1.551 0.540 -1.292) 2.090 8.130 ( -2.785 -0.314 2.510) 3.763 8.430 ( -2.456 -5.530 1.639) 6.269 8.750 ( -0.895 -7.639 0.880) 7.741 9.939 ( 9.922 11.823 -3.478) 15.822 10.397 ( 17.673 7.147 2.740) 19.259 17.980 ( -0.049 0.487 0.491) 0.693 18.288 ( -0.798 -4.821 -1.042) 4.997 19.202 ( -4.782 4.106 -1.283) 6.432 19.285 ( -3.676 2.324 1.849) 4.726 38.880 ( -2.520 1.035 -0.232) 2.734 38.997 ( -4.617 -0.935 -0.093) 4.712 61.844 ( 2.521 -0.194 1.570) 2.976 62.772 ( 23.918 -21.430 -3.526) 32.307 ======================= Grid point 47 (28/252) ======================= q-point: ( 0.30 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.168 ( 0.625 11.239 -2.119) 11.454 2.555 ( 13.406 4.315 1.011) 14.120 3.031 ( 7.829 -9.365 3.684) 12.750 3.343 ( -5.920 -4.061 -1.704) 7.379 3.720 ( -0.148 -0.721 -0.425) 0.850 4.111 ( -0.662 -1.731 -3.055) 3.573 4.232 ( -10.586 20.336 -1.528) 22.977 4.477 ( -5.663 10.605 4.090) 12.699 4.882 ( -2.972 2.874 1.900) 4.550 5.044 ( 2.530 -3.055 0.615) 4.014 5.525 ( -1.049 -8.084 0.551) 8.170 5.635 ( 0.988 -0.571 -2.131) 2.417 6.387 ( 0.809 -3.388 -3.689) 5.073 6.768 ( -7.771 -6.296 -0.633) 10.022 7.240 ( 1.307 4.775 -0.326) 4.961 7.528 ( -2.059 -3.307 0.570) 3.937 7.999 ( -5.608 2.517 2.061) 6.484 8.172 ( 9.111 -3.946 -1.236) 10.006 8.448 ( 4.355 -7.101 1.242) 8.422 8.808 ( 5.374 -9.806 0.806) 11.211 10.150 ( 12.506 16.824 -1.937) 21.053 10.726 ( 15.620 9.762 1.495) 18.480 17.980 ( -0.091 0.610 0.340) 0.705 18.271 ( -0.600 -4.520 -0.871) 4.642 19.115 ( -3.731 4.454 -0.533) 5.834 19.229 ( -2.768 1.680 0.988) 3.385 38.827 ( -2.892 1.251 -0.215) 3.158 38.929 ( -2.379 -0.624 -0.255) 2.472 61.900 ( 2.434 -4.063 1.692) 5.029 63.135 ( 15.288 -29.894 -3.277) 33.736 ======================= Grid point 48 (29/252) ======================= q-point: ( 0.40 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.189 ( 1.759 6.220 -0.685) 6.500 2.821 ( 14.765 -2.369 -2.245) 15.121 3.126 ( 0.829 -9.564 0.127) 9.601 3.233 ( -5.943 -4.817 4.328) 8.790 3.679 ( -4.709 -1.357 1.310) 5.073 4.074 ( 0.955 0.483 -2.624) 2.834 4.106 ( -2.388 10.490 -3.502) 11.314 4.350 ( -9.013 5.061 3.165) 10.810 4.851 ( -1.219 4.825 1.091) 5.095 5.086 ( 1.700 -3.993 0.031) 4.340 5.518 ( 0.131 -6.869 -0.379) 6.881 5.640 ( 0.060 -1.974 -0.553) 2.051 6.395 ( 1.236 -4.860 -1.024) 5.118 6.634 ( -5.548 -3.498 -1.910) 6.831 7.254 ( 1.835 4.979 0.104) 5.307 7.445 ( -6.323 -0.382 0.831) 6.388 7.911 ( -3.500 3.024 2.232) 5.136 8.299 ( 4.260 -3.331 -1.871) 5.722 8.562 ( 5.508 -7.523 0.943) 9.372 8.912 ( 4.619 -9.452 0.415) 10.529 10.352 ( 8.333 19.699 -0.815) 21.405 10.969 ( 9.169 10.879 0.648) 14.242 17.979 ( -0.062 0.781 0.143) 0.797 18.260 ( -0.288 -4.406 -0.463) 4.440 19.062 ( -1.772 4.174 -0.201) 4.539 19.190 ( -1.598 1.061 0.433) 1.967 38.779 ( -1.850 1.588 -0.106) 2.440 38.901 ( -0.697 -0.645 -0.236) 0.979 61.941 ( 1.363 -7.179 1.075) 7.386 63.327 ( 6.517 -33.656 -1.890) 34.333 ======================= Grid point 49 (30/252) ======================= q-point: (-0.50 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.209 ( 0.000 3.683 0.000) 3.683 3.039 ( 0.000 -12.102 -0.000) 12.102 3.104 ( -0.000 -6.114 0.000) 6.114 3.135 ( 0.000 -0.154 -0.000) 0.154 3.620 ( -0.000 1.075 -0.000) 1.075 4.067 ( 0.000 -1.208 0.000) 1.208 4.178 ( 0.000 6.719 -0.000) 6.719 4.185 ( -0.000 2.729 0.000) 2.729 4.840 ( 0.000 4.915 0.000) 4.915 5.103 ( 0.000 -4.342 0.000) 4.342 5.520 ( 0.000 -6.178 0.000) 6.178 5.639 ( 0.000 -2.224 -0.000) 2.224 6.414 ( -0.000 -6.382 0.000) 6.382 6.568 ( 0.000 -1.719 0.000) 1.719 7.324 ( 0.000 3.155 -0.000) 3.155 7.330 ( -0.000 1.962 0.000) 1.962 7.884 ( 0.000 3.010 -0.000) 3.010 8.332 ( 0.000 -2.502 0.000) 2.502 8.620 ( 0.000 -7.638 0.000) 7.638 8.960 ( 0.000 -8.967 -0.000) 8.967 10.432 ( 0.000 20.731 0.000) 20.731 11.059 ( 0.000 11.104 0.000) 11.104 17.979 ( 0.000 0.859 0.000) 0.859 18.257 ( 0.000 -4.386 0.000) 4.386 19.046 ( 0.000 3.999 0.000) 3.999 19.175 ( 0.000 0.808 0.000) 0.808 38.761 ( 0.000 1.752 0.000) 1.752 38.895 ( 0.000 -0.684 0.000) 0.684 61.956 ( 0.000 -8.372 0.000) 8.372 63.383 ( 0.000 -34.665 0.000) 34.665 ======================= Grid point 55 (31/252) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.371 ( 0.000 12.200 0.000) 12.200 2.575 ( 0.000 16.169 0.000) 16.169 2.598 ( 0.000 1.668 0.000) 1.668 3.330 ( 0.000 -11.636 0.000) 11.636 4.116 ( 0.000 10.363 0.000) 10.363 4.124 ( 0.000 2.788 0.000) 2.788 4.701 ( 0.000 15.963 0.000) 15.963 5.022 ( 0.000 5.381 0.000) 5.381 5.025 ( 0.000 8.995 0.000) 8.995 5.309 ( 0.000 13.515 0.000) 13.515 5.411 ( 0.000 -7.228 0.000) 7.228 5.666 ( 0.000 -5.240 0.000) 5.240 6.295 ( 0.000 1.999 0.000) 1.999 6.642 ( 0.000 0.822 0.000) 0.822 6.735 ( 0.000 -9.623 0.000) 9.623 7.013 ( 0.000 -11.588 0.000) 11.588 8.033 ( 0.000 1.295 0.000) 1.295 8.195 ( 0.000 2.692 0.000) 2.692 8.593 ( 0.000 -1.397 0.000) 1.397 8.794 ( 0.000 -2.398 0.000) 2.398 9.804 ( 0.000 0.319 0.000) 0.319 9.942 ( 0.000 -1.366 0.000) 1.366 18.000 ( 0.000 1.854 0.000) 1.854 18.211 ( 0.000 -5.039 0.000) 5.039 19.356 ( 0.000 2.424 0.000) 2.424 19.417 ( 0.000 0.250 0.000) 0.250 38.960 ( 0.000 1.489 0.000) 1.489 39.083 ( 0.000 -2.466 0.000) 2.466 61.888 ( 0.000 3.867 0.000) 3.867 62.057 ( 0.000 -1.615 0.000) 1.615 ======================= Grid point 56 (32/252) ======================= q-point: ( 0.10 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.383 ( 0.976 9.551 -0.075) 9.601 2.525 ( -2.954 10.468 0.789) 10.905 2.678 ( 5.670 5.270 1.436) 7.873 3.322 ( -0.864 -11.182 -0.384) 11.222 4.037 ( -6.882 10.255 -2.092) 12.526 4.120 ( -0.454 2.202 -0.179) 2.256 4.749 ( 3.431 14.573 1.217) 15.021 4.977 ( -3.408 7.905 -2.613) 8.996 5.029 ( -1.006 7.032 4.158) 8.231 5.183 ( -10.605 8.806 -0.773) 13.806 5.428 ( -0.991 -4.937 4.289) 6.615 5.634 ( -1.898 -5.103 -4.531) 7.084 6.330 ( 2.649 1.120 -0.971) 3.036 6.680 ( 5.293 -4.143 -1.072) 6.807 6.898 ( 11.185 -7.398 -0.341) 13.414 7.079 ( 10.342 -7.049 -0.890) 12.548 8.046 ( -0.036 0.337 0.945) 1.004 8.173 ( -1.724 3.074 0.107) 3.526 8.461 ( -10.175 -1.816 1.291) 10.416 8.732 ( -7.170 -5.101 0.719) 8.829 9.908 ( 10.693 4.380 -2.294) 11.780 10.114 ( 16.224 -0.309 1.448) 16.292 18.001 ( 0.019 1.816 0.044) 1.817 18.207 ( -0.336 -4.902 -0.487) 4.937 19.334 ( -2.232 2.424 -0.698) 3.368 19.384 ( -3.304 0.745 0.885) 3.501 38.943 ( -1.626 1.422 -0.047) 2.160 39.050 ( -3.213 -1.955 0.055) 3.761 61.875 ( -0.594 4.054 0.362) 4.113 62.180 ( 11.325 -6.502 -0.964) 13.094 ======================= Grid point 57 (33/252) ======================= q-point: ( 0.20 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.378 ( -1.997 5.835 -1.244) 6.292 2.506 ( 1.404 5.965 1.941) 6.428 2.801 ( 5.967 1.992 3.050) 6.991 3.289 ( -2.618 -9.598 -0.745) 9.977 3.885 ( -7.551 7.906 -2.717) 11.265 4.103 ( -1.476 -0.176 -0.446) 1.552 4.761 ( -5.536 12.881 3.931) 14.560 4.869 ( -8.980 12.463 -1.973) 15.488 4.990 ( -3.711 4.762 -3.547) 7.002 5.029 ( -1.351 4.358 4.642) 6.509 5.397 ( -2.872 -6.935 2.344) 7.864 5.590 ( -0.935 -5.222 -3.685) 6.459 6.364 ( 1.488 1.127 -2.754) 3.327 6.712 ( -2.241 -9.347 -0.534) 9.626 7.143 ( 14.555 0.941 0.218) 14.587 7.352 ( 13.471 -5.545 -1.190) 14.616 8.014 ( -0.874 1.940 -1.056) 2.375 8.148 ( -1.913 1.517 1.623) 2.932 8.324 ( -4.775 -4.558 2.249) 6.974 8.594 ( -4.881 -8.323 1.204) 9.723 10.159 ( 15.965 10.771 -2.094) 19.372 10.484 ( 20.768 1.701 1.130) 20.868 18.001 ( 0.039 1.747 0.022) 1.748 18.197 ( -0.472 -4.581 -0.718) 4.661 19.269 ( -4.146 2.771 -0.913) 5.070 19.318 ( -3.825 1.081 1.195) 4.151 38.903 ( -2.501 1.314 -0.090) 2.826 38.979 ( -3.888 -1.026 0.036) 4.022 61.873 ( 0.026 3.288 0.687) 3.359 62.415 ( 12.841 -15.828 -1.591) 20.443 ======================= Grid point 58 (34/252) ======================= q-point: ( 0.30 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.322 ( -2.777 4.833 -0.555) 5.602 2.580 ( 5.384 -2.560 0.609) 5.993 2.909 ( 3.953 -1.683 3.821) 5.750 3.220 ( -4.229 -7.429 -0.576) 8.568 3.752 ( -5.508 3.774 -1.761) 6.905 4.047 ( -4.283 -4.143 -1.105) 6.060 4.568 ( -12.832 13.822 0.438) 18.866 4.673 ( -10.228 7.747 1.634) 12.935 4.983 ( 0.838 6.599 -1.841) 6.902 5.031 ( 0.268 2.289 1.850) 2.956 5.367 ( -0.329 -7.436 0.015) 7.444 5.569 ( -0.511 -5.996 -1.346) 6.166 6.363 ( -0.431 0.746 -2.578) 2.719 6.637 ( -4.477 -7.023 -1.266) 8.424 7.334 ( 3.911 4.650 0.458) 6.094 7.477 ( 1.300 -1.797 0.351) 2.246 8.041 ( -2.335 1.952 0.951) 3.189 8.138 ( 5.418 0.623 -0.104) 5.454 8.311 ( 3.651 -6.679 0.975) 7.674 8.603 ( 4.289 -11.075 1.075) 11.925 10.462 ( 15.868 14.978 -1.240) 21.855 10.856 ( 17.468 3.386 0.616) 17.804 18.002 ( 0.062 1.714 -0.035) 1.716 18.186 ( -0.391 -4.259 -0.638) 4.324 19.188 ( -3.751 3.091 -0.478) 4.884 19.253 ( -3.303 0.728 0.729) 3.460 38.853 ( -2.573 1.456 -0.083) 2.957 38.919 ( -2.310 -0.569 -0.038) 2.380 61.875 ( -0.190 1.828 0.755) 1.987 62.616 ( 8.587 -23.676 -1.566) 25.234 ======================= Grid point 59 (35/252) ======================= q-point: ( 0.40 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.283 ( -1.243 3.565 0.058) 3.776 2.693 ( 5.966 -10.519 -1.012) 12.136 2.974 ( 1.748 -3.751 2.876) 5.039 3.138 ( -4.028 -5.470 0.393) 6.804 3.667 ( -3.156 1.005 -0.118) 3.314 3.948 ( -4.859 -7.340 -1.416) 8.916 4.378 ( -5.784 12.134 -1.489) 13.524 4.492 ( -9.239 6.858 1.917) 11.664 4.976 ( -1.006 7.388 0.450) 7.469 5.048 ( 0.944 0.042 -0.529) 1.083 5.380 ( 1.172 -6.701 -0.151) 6.805 5.558 ( -0.384 -6.350 -0.388) 6.373 6.345 ( -0.459 -0.256 -0.486) 0.716 6.553 ( -3.365 -4.788 -2.237) 6.265 7.355 ( 0.487 5.019 0.252) 5.049 7.452 ( -3.414 0.929 0.883) 3.646 7.975 ( -3.095 3.921 1.946) 5.361 8.259 ( 4.965 -1.000 -1.510) 5.285 8.417 ( 5.314 -6.861 0.670) 8.704 8.711 ( 5.577 -10.939 0.470) 12.288 10.710 ( 9.847 16.858 -0.529) 19.530 11.120 ( 9.836 4.333 0.254) 10.751 18.003 ( 0.055 1.723 -0.047) 1.724 18.178 ( -0.206 -4.053 -0.358) 4.074 19.132 ( -2.021 2.990 -0.195) 3.615 19.204 ( -1.990 0.327 0.334) 2.044 38.813 ( -1.520 1.835 -0.041) 2.384 38.890 ( -0.838 -0.622 -0.062) 1.045 61.872 ( -0.314 0.443 0.486) 0.728 62.725 ( 3.662 -28.127 -0.941) 28.380 ======================= Grid point 60 (36/252) ======================= q-point: (-0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.272 ( 0.000 2.922 0.000) 2.922 2.758 ( 0.000 -15.235 -0.000) 15.235 2.997 ( 0.000 -4.073 0.000) 4.073 3.092 ( -0.000 -3.706 -0.000) 3.706 3.636 ( -0.000 0.988 -0.000) 0.988 3.893 ( 0.000 -8.948 0.000) 8.948 4.347 ( 0.000 8.849 -0.000) 8.849 4.376 ( -0.000 8.884 0.000) 8.884 4.964 ( 0.000 7.332 0.000) 7.332 5.056 ( 0.000 -0.451 0.000) 0.451 5.393 ( 0.000 -6.311 0.000) 6.311 5.553 ( 0.000 -6.370 -0.000) 6.370 6.343 ( 0.000 -1.072 0.000) 1.072 6.513 ( 0.000 -3.816 -0.000) 3.816 7.381 ( 0.000 3.015 0.000) 3.015 7.395 ( -0.000 3.603 0.000) 3.603 7.950 ( 0.000 4.212 -0.000) 4.212 8.301 ( 0.000 -1.410 0.000) 1.410 8.473 ( 0.000 -6.508 0.000) 6.508 8.771 ( 0.000 -10.188 -0.000) 10.188 10.805 ( 0.000 17.363 0.000) 17.363 11.214 ( 0.000 4.604 0.000) 4.604 18.004 ( 0.000 1.733 0.000) 1.733 18.176 ( 0.000 -3.985 0.000) 3.985 19.112 ( 0.000 2.880 0.000) 2.880 19.185 ( 0.000 0.164 0.000) 0.164 38.799 ( 0.000 2.021 0.000) 2.021 38.883 ( 0.000 -0.699 0.000) 0.699 61.869 ( 0.000 -0.127 0.000) 0.127 62.756 ( 0.000 -29.500 0.000) 29.500 ======================= Grid point 66 (37/252) ======================= q-point: ( 0.00 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.537 ( 0.000 5.542 0.000) 5.542 2.602 ( 0.000 -1.418 0.000) 1.418 2.856 ( 0.000 13.223 0.000) 13.223 3.098 ( 0.000 -12.136 0.000) 12.136 4.186 ( 0.000 3.096 0.000) 3.096 4.215 ( 0.000 0.847 0.000) 0.847 5.016 ( 0.000 15.123 0.000) 15.123 5.098 ( 0.000 4.311 0.000) 4.311 5.137 ( 0.000 0.499 0.000) 0.499 5.268 ( 0.000 -8.551 0.000) 8.551 5.500 ( 0.000 4.858 0.000) 4.858 5.557 ( 0.000 -4.039 0.000) 4.039 6.381 ( 0.000 7.100 0.000) 7.100 6.549 ( 0.000 -9.565 0.000) 9.565 6.697 ( 0.000 4.668 0.000) 4.668 6.821 ( 0.000 -8.207 0.000) 8.207 8.090 ( 0.000 4.243 0.000) 4.243 8.176 ( 0.000 -3.861 0.000) 3.861 8.629 ( 0.000 4.432 0.000) 4.432 8.724 ( 0.000 -4.668 0.000) 4.668 9.832 ( 0.000 2.500 0.000) 2.500 9.892 ( 0.000 -3.353 0.000) 3.353 18.049 ( 0.000 3.155 0.000) 3.155 18.121 ( 0.000 -4.254 0.000) 4.254 19.394 ( 0.000 1.497 0.000) 1.497 19.414 ( 0.000 -0.590 0.000) 0.590 38.994 ( 0.000 2.008 0.000) 2.008 39.036 ( 0.000 -2.358 0.000) 2.358 61.959 ( 0.000 3.409 0.000) 3.409 62.017 ( 0.000 -2.589 0.000) 2.589 ======================= Grid point 67 (38/252) ======================= q-point: ( 0.10 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.516 ( -2.286 4.704 0.467) 5.251 2.576 ( -2.887 -1.505 1.208) 3.473 2.877 ( 1.976 11.967 0.762) 12.153 3.102 ( 0.249 -11.432 0.430) 11.443 4.158 ( -5.011 2.619 -0.984) 5.739 4.163 ( -3.340 1.753 1.471) 4.048 5.007 ( -0.678 11.707 -4.980) 12.740 5.073 ( -1.646 3.763 -0.447) 4.132 5.138 ( -0.974 1.907 1.402) 2.559 5.207 ( -5.932 -5.544 0.054) 8.120 5.443 ( -5.764 3.922 1.528) 7.137 5.518 ( -3.617 -5.249 0.667) 6.409 6.399 ( 1.633 6.142 -0.802) 6.406 6.549 ( 0.418 -8.530 -0.683) 8.567 6.861 ( 15.004 2.546 -0.726) 15.236 6.950 ( 13.666 -6.055 -0.723) 14.965 8.085 ( -0.733 3.479 0.548) 3.598 8.161 ( -1.462 -3.563 0.151) 3.854 8.500 ( -11.106 5.211 1.486) 12.358 8.619 ( -9.985 -6.369 1.146) 11.899 9.996 ( 15.693 4.551 -1.098) 16.377 10.075 ( 17.404 -3.397 -0.013) 17.732 18.048 ( -0.034 3.095 -0.152) 3.099 18.119 ( -0.151 -4.162 -0.305) 4.176 19.371 ( -2.328 1.406 -0.213) 2.728 19.388 ( -2.650 -0.348 0.297) 2.689 38.975 ( -1.882 1.804 0.012) 2.607 39.012 ( -2.409 -1.995 0.048) 3.128 61.962 ( 0.518 4.912 0.014) 4.939 62.063 ( 4.356 -5.609 -0.361) 7.111 ======================= Grid point 68 (39/252) ======================= q-point: ( 0.20 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.459 ( -3.877 3.282 0.887) 5.156 2.517 ( -3.317 -2.553 1.995) 4.637 2.925 ( 2.176 8.881 1.594) 9.281 3.103 ( -0.545 -9.458 0.537) 9.488 4.016 ( -8.648 5.357 -1.112) 10.233 4.086 ( -5.666 -1.957 0.325) 6.003 4.928 ( -7.334 5.745 1.923) 9.513 4.994 ( -9.660 0.494 -1.950) 9.867 5.085 ( -0.687 5.046 -5.846) 7.753 5.134 ( -1.079 2.055 -1.454) 2.739 5.337 ( -5.212 2.394 3.558) 6.750 5.454 ( -3.073 -7.853 2.006) 8.668 6.420 ( 0.784 4.737 -2.043) 5.218 6.544 ( -0.864 -7.802 -1.432) 7.979 7.183 ( 17.129 3.075 0.028) 17.403 7.256 ( 15.916 -4.410 -0.480) 16.523 8.064 ( -0.870 3.258 -0.335) 3.389 8.134 ( -0.859 -3.346 -0.017) 3.455 8.316 ( -8.085 4.156 2.691) 9.481 8.437 ( -7.542 -7.637 1.725) 10.871 10.344 ( 20.323 8.144 -1.059) 21.919 10.462 ( 21.900 -3.818 -0.036) 22.231 18.047 ( -0.024 2.951 -0.254) 2.962 18.114 ( -0.203 -3.935 -0.469) 3.968 19.310 ( -3.866 1.494 -0.300) 4.155 19.326 ( -3.802 -0.208 0.430) 3.832 38.930 ( -2.683 1.425 0.010) 3.038 38.956 ( -3.153 -1.296 0.058) 3.410 61.974 ( 0.587 7.242 0.047) 7.266 62.154 ( 4.846 -11.373 -0.596) 12.376 ======================= Grid point 69 (40/252) ======================= q-point: ( 0.30 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.391 ( -3.343 3.474 1.567) 5.069 2.481 ( -1.112 -5.864 2.009) 6.298 2.959 ( 0.701 5.294 1.698) 5.604 3.079 ( -2.110 -6.906 0.322) 7.229 3.848 ( -8.159 5.694 -1.419) 10.050 3.957 ( -7.632 -5.276 -0.700) 9.305 4.748 ( -12.210 4.815 1.586) 13.221 4.768 ( -11.496 2.289 0.175) 11.723 5.073 ( 1.291 3.704 -7.717) 8.657 5.113 ( -1.030 1.577 -0.357) 1.917 5.293 ( -0.867 2.181 3.286) 4.038 5.423 ( -1.261 -8.474 2.184) 8.842 6.409 ( -1.101 3.861 -2.291) 4.622 6.507 ( -2.192 -6.173 -2.018) 6.854 7.409 ( 5.133 2.987 0.872) 6.003 7.450 ( 4.146 -1.435 0.706) 4.443 8.085 ( 1.506 2.943 -0.249) 3.315 8.153 ( 2.811 -2.707 -0.164) 3.906 8.248 ( 2.089 3.710 1.608) 4.551 8.396 ( 2.615 -9.902 1.326) 10.327 10.711 ( 17.958 10.400 -0.655) 20.763 10.851 ( 18.427 -3.875 -0.054) 18.830 18.046 ( 0.020 2.788 -0.263) 2.801 18.109 ( -0.155 -3.672 -0.440) 3.701 19.235 ( -3.698 1.749 -0.165) 4.094 19.256 ( -3.576 -0.454 0.288) 3.616 38.881 ( -2.316 1.369 0.005) 2.690 38.904 ( -2.240 -0.981 0.029) 2.445 61.979 ( -0.186 9.056 0.069) 9.058 62.226 ( 2.894 -16.583 -0.597) 16.844 ======================= Grid point 70 (41/252) ======================= q-point: ( 0.40 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.351 ( -1.452 4.526 1.456) 4.971 2.485 ( 0.540 -9.476 1.381) 9.591 2.966 ( -0.156 2.157 0.813) 2.310 3.036 ( -2.111 -4.738 0.085) 5.187 3.719 ( -4.765 4.091 -0.706) 6.320 3.818 ( -6.003 -6.039 -0.873) 8.559 4.547 ( -7.860 5.128 -0.333) 9.391 4.578 ( -8.495 1.682 0.780) 8.694 5.074 ( 0.962 2.405 -4.285) 5.007 5.092 ( -1.145 2.367 0.926) 2.788 5.307 ( 0.822 1.063 1.340) 1.898 5.414 ( -0.416 -7.814 1.213) 7.918 6.376 ( -1.264 3.187 -1.133) 3.611 6.457 ( -2.020 -4.894 -1.891) 5.622 7.434 ( -0.504 2.882 0.574) 2.982 7.463 ( -1.530 -0.240 0.991) 1.838 8.072 ( -1.513 6.169 1.012) 6.432 8.200 ( 1.351 -6.212 0.057) 6.357 8.373 ( 7.390 3.673 -0.115) 8.254 8.509 ( 6.864 -9.432 0.239) 11.668 10.984 ( 10.466 11.123 -0.290) 15.276 11.128 ( 10.369 -3.581 -0.037) 10.970 18.046 ( 0.037 2.665 -0.166) 2.670 18.105 ( -0.073 -3.469 -0.259) 3.479 19.178 ( -2.165 1.780 -0.067) 2.803 19.201 ( -2.172 -0.647 0.138) 2.270 38.847 ( -1.213 1.636 0.002) 2.036 38.874 ( -0.996 -1.102 0.004) 1.485 61.971 ( -0.514 10.007 0.051) 10.020 62.259 ( 0.953 -19.772 -0.365) 19.799 ======================= Grid point 71 (42/252) ======================= q-point: (-0.50 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.341 ( 0.000 5.108 0.000) 5.108 2.496 ( 0.000 -11.111 0.000) 11.111 2.965 ( 0.000 0.778 0.000) 0.778 3.014 ( -0.000 -3.808 0.000) 3.808 3.672 ( -0.000 2.973 -0.000) 2.973 3.754 ( 0.000 -5.596 0.000) 5.596 4.475 ( 0.000 3.847 -0.000) 3.847 4.488 ( -0.000 2.583 0.000) 2.583 5.076 ( -0.000 1.873 0.000) 1.873 5.082 ( 0.000 3.112 -0.000) 3.112 5.319 ( -0.000 0.347 0.000) 0.347 5.413 ( 0.000 -7.426 -0.000) 7.426 6.362 ( 0.000 2.667 0.000) 2.667 6.432 ( 0.000 -4.249 -0.000) 4.249 7.432 ( 0.000 1.869 0.000) 1.869 7.442 ( -0.000 0.981 0.000) 0.981 8.058 ( 0.000 7.101 -0.000) 7.101 8.210 ( 0.000 -7.801 0.000) 7.801 8.449 ( 0.000 4.203 0.000) 4.203 8.583 ( 0.000 -8.868 -0.000) 8.868 11.084 ( 0.000 11.211 0.000) 11.211 11.227 ( 0.000 -3.407 0.000) 3.407 18.046 ( 0.000 2.618 0.000) 2.618 18.104 ( 0.000 -3.392 0.000) 3.392 19.157 ( 0.000 1.740 -0.000) 1.740 19.180 ( 0.000 -0.702 0.000) 0.702 38.836 ( 0.000 1.780 0.000) 1.780 38.865 ( 0.000 -1.198 0.000) 1.198 61.965 ( 0.000 10.270 0.000) 10.270 62.266 ( 0.000 -20.797 0.000) 20.797 ======================= Grid point 143 (43/252) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.452 ( -7.273 0.000 22.849) 23.978 0.596 ( 5.186 0.000 30.139) 30.582 0.948 ( -0.061 0.000 47.942) 47.942 2.200 ( 3.268 0.000 -6.817) 7.560 2.700 ( -1.608 0.000 -6.822) 7.009 3.591 ( 4.243 0.000 1.338) 4.449 4.291 ( -1.096 0.000 -11.173) 11.226 4.463 ( 0.398 0.000 0.318) 0.509 5.277 ( -0.092 0.000 -4.179) 4.180 5.302 ( 8.780 0.000 -5.721) 10.480 5.847 ( 3.180 0.000 -0.222) 3.188 6.055 ( 73.327 0.000 5.814) 73.557 6.549 ( 0.031 0.000 3.839) 3.839 7.172 ( -57.399 0.000 -0.280) 57.400 7.321 ( -0.870 0.000 -0.626) 1.072 7.624 ( -13.327 0.000 -3.670) 13.823 7.759 ( -28.172 0.000 2.713) 28.302 7.964 ( 0.089 0.000 -0.445) 0.454 8.143 ( 1.772 0.000 2.698) 3.228 8.807 ( -0.355 0.000 -0.404) 0.538 9.020 ( 0.150 0.000 0.217) 0.264 10.026 ( 6.991 0.000 -1.575) 7.166 18.525 ( 19.957 0.000 0.067) 19.957 18.611 ( -0.082 0.000 0.138) 0.161 18.641 ( -0.011 0.000 -0.040) 0.042 19.086 ( -0.028 0.000 -0.035) 0.045 38.918 ( 0.603 0.000 -0.135) 0.618 39.233 ( -0.191 0.000 0.190) 0.270 61.644 ( 1.626 0.000 0.590) 1.730 62.193 ( -73.671 0.000 -0.526) 73.673 ======================= Grid point 144 (44/252) ======================= q-point: ( 0.10 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.980 ( 21.013 0.000 23.438) 31.478 1.030 ( 25.324 0.000 22.914) 34.152 1.360 ( 34.757 0.000 26.934) 43.972 2.480 ( 26.319 0.000 -4.908) 26.772 2.653 ( -0.350 0.000 -8.833) 8.840 3.787 ( 11.282 0.000 -9.029) 14.450 4.191 ( -3.527 0.000 -10.774) 11.337 4.486 ( 1.852 0.000 0.476) 1.912 5.240 ( -2.161 0.000 -4.436) 4.935 5.295 ( -7.130 0.000 1.488) 7.284 5.672 ( -28.449 0.000 21.362) 35.576 5.897 ( -6.076 0.000 9.505) 11.281 6.592 ( 3.084 0.000 3.960) 5.019 6.972 ( -4.042 0.000 -6.604) 7.743 7.389 ( 7.326 0.000 -1.941) 7.578 7.678 ( 0.896 0.000 -0.619) 1.089 7.945 ( -2.098 0.000 -0.387) 2.134 8.196 ( 28.955 0.000 -12.876) 31.688 8.308 ( 26.581 0.000 -7.924) 27.737 8.745 ( -5.255 0.000 -0.566) 5.285 9.042 ( 1.470 0.000 0.223) 1.487 10.019 ( -1.537 0.000 0.938) 1.800 18.392 ( -15.118 0.000 7.498) 16.875 18.623 ( -1.241 0.000 2.033) 2.382 18.644 ( 0.344 0.000 -0.047) 0.347 19.087 ( 0.191 0.000 -0.048) 0.197 38.905 ( -2.452 0.000 -1.336) 2.792 39.172 ( -4.560 0.000 -0.948) 4.657 61.810 ( 14.548 0.000 1.586) 14.634 63.327 ( 94.745 0.000 -68.379) 116.843 ======================= Grid point 145 (45/252) ======================= q-point: ( 0.20 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.452 ( 14.561 0.000 29.426) 32.832 1.467 ( 21.913 0.000 17.191) 27.851 2.200 ( 40.367 0.000 6.074) 40.822 2.626 ( 0.816 0.000 -9.185) 9.221 3.037 ( 30.785 0.000 -4.524) 31.115 3.808 ( -4.681 0.000 -10.854) 11.820 4.244 ( 13.454 0.000 -8.277) 15.796 4.533 ( 2.950 0.000 0.353) 2.971 5.144 ( -7.283 0.000 11.229) 13.384 5.167 ( -3.825 0.000 -4.216) 5.693 5.468 ( -5.063 0.000 3.304) 6.046 5.859 ( -3.234 0.000 5.746) 6.594 6.691 ( 5.962 0.000 3.509) 6.918 6.798 ( -9.313 0.000 -2.813) 9.729 7.534 ( 7.727 0.000 -3.340) 8.418 7.620 ( -6.259 0.000 4.494) 7.706 7.875 ( -5.497 0.000 -0.221) 5.502 8.497 ( 15.002 0.000 1.116) 15.043 8.635 ( -5.504 0.000 -0.632) 5.540 8.808 ( 21.809 0.000 -12.747) 25.261 9.062 ( 0.433 0.000 0.180) 0.469 10.047 ( 3.958 0.000 1.683) 4.301 18.190 ( -9.049 0.000 5.253) 10.463 18.613 ( -0.581 0.000 1.253) 1.381 18.653 ( 0.563 0.000 -0.042) 0.565 19.092 ( 0.339 0.000 -0.037) 0.341 38.839 ( -3.631 0.000 -0.846) 3.728 39.080 ( -4.281 0.000 -2.816) 5.124 62.129 ( 17.119 0.000 3.724) 17.519 64.364 ( 43.884 0.000 -45.222) 63.015 ======================= Grid point 146 (46/252) ======================= q-point: ( 0.30 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.824 ( 14.851 0.000 22.343) 26.829 1.897 ( 17.490 0.000 12.163) 21.304 2.615 ( 1.189 0.000 -7.539) 7.632 2.809 ( 20.860 0.000 -2.433) 21.001 3.406 ( 8.129 0.000 -11.563) 14.135 3.789 ( 9.195 0.000 5.615) 10.774 4.493 ( 13.817 0.000 -11.709) 18.112 4.596 ( 3.493 0.000 -0.090) 3.494 5.072 ( -4.559 0.000 -3.510) 5.754 5.153 ( 4.666 0.000 9.898) 10.943 5.399 ( -2.418 0.000 -3.671) 4.396 5.802 ( -5.048 0.000 5.886) 7.754 6.643 ( -5.982 0.000 -1.275) 6.116 6.840 ( 8.626 0.000 2.707) 9.041 7.482 ( -8.728 0.000 5.574) 10.356 7.660 ( 5.676 0.000 -2.044) 6.033 7.731 ( -9.690 0.000 -0.012) 9.690 8.549 ( -3.221 0.000 -0.640) 3.284 8.756 ( 10.785 0.000 1.427) 10.879 9.061 ( -0.475 0.000 0.178) 0.507 9.081 ( 12.245 0.000 -7.069) 14.139 10.163 ( 6.941 0.000 1.650) 7.135 18.072 ( -5.126 0.000 2.064) 5.526 18.609 ( -0.293 0.000 0.931) 0.976 18.663 ( 0.564 0.000 -0.027) 0.565 19.099 ( 0.359 0.000 -0.006) 0.359 38.774 ( -2.910 0.000 -0.150) 2.914 39.001 ( -2.678 0.000 -2.983) 4.009 62.439 ( 13.644 0.000 2.461) 13.864 64.846 ( 22.633 0.000 -22.201) 31.704 ======================= Grid point 147 (47/252) ======================= q-point: ( 0.40 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.130 ( 8.766 0.000 11.343) 14.336 2.178 ( 7.728 0.000 5.629) 9.561 2.625 ( 2.368 0.000 -2.712) 3.600 2.907 ( -2.464 0.000 -7.816) 8.195 3.554 ( 11.236 0.000 -2.268) 11.463 3.985 ( 4.890 0.000 6.602) 8.215 4.638 ( 6.091 0.000 -9.738) 11.486 4.655 ( 2.592 0.000 -1.184) 2.850 4.986 ( -2.992 0.000 -2.039) 3.621 5.347 ( 6.907 0.000 5.890) 9.077 5.363 ( 3.864 0.000 -5.408) 6.647 5.714 ( -6.122 0.000 4.806) 7.783 6.564 ( -1.991 0.000 -1.657) 2.591 7.031 ( 10.430 0.000 1.820) 10.587 7.341 ( -7.828 0.000 5.302) 9.455 7.521 ( -12.067 0.000 0.192) 12.068 7.746 ( 3.868 0.000 0.323) 3.881 8.509 ( -1.002 0.000 -0.549) 1.142 8.897 ( 3.868 0.000 1.365) 4.102 9.050 ( -0.575 0.000 0.199) 0.609 9.246 ( 7.636 0.000 -4.036) 8.637 10.284 ( 4.447 0.000 0.707) 4.503 18.005 ( -2.564 0.000 0.323) 2.585 18.608 ( -0.103 0.000 0.866) 0.872 18.672 ( 0.355 0.000 -0.008) 0.355 19.105 ( 0.238 0.000 0.033) 0.240 38.730 ( -1.746 0.000 0.128) 1.751 38.965 ( -0.230 0.000 -1.723) 1.738 62.633 ( 6.118 0.000 -0.627) 6.150 65.114 ( 12.506 0.000 -8.668) 15.216 ======================= Grid point 148 (48/252) ======================= q-point: (-0.50 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.111 ( -12.522 0.000 -2.335) 12.738 2.197 ( -6.119 0.000 -1.111) 6.219 2.699 ( 4.685 0.000 3.081) 5.607 2.955 ( 10.547 0.000 1.420) 10.643 3.679 ( 0.362 0.000 -1.122) 1.179 4.004 ( -3.993 0.000 5.052) 6.439 4.665 ( -0.974 0.000 -2.595) 2.771 4.676 ( 1.611 0.000 -8.250) 8.405 4.970 ( 1.999 0.000 -0.252) 2.015 5.363 ( 1.575 0.000 -3.791) 4.105 5.507 ( 2.671 0.000 4.572) 5.295 5.616 ( -5.278 0.000 1.976) 5.636 6.555 ( 1.771 0.000 -1.840) 2.554 7.181 ( -2.051 0.000 0.736) 2.179 7.245 ( -3.654 0.000 4.027) 5.438 7.351 ( 1.156 0.000 0.734) 1.370 7.804 ( 1.586 0.000 2.381) 2.861 8.501 ( 0.322 0.000 -0.393) 0.508 8.927 ( -0.777 0.000 0.861) 1.159 9.045 ( -0.045 0.000 0.212) 0.217 9.346 ( 4.153 0.000 -1.175) 4.316 10.302 ( -3.015 0.000 -1.154) 3.228 17.974 ( -0.875 0.000 -0.568) 1.044 18.611 ( 0.076 0.000 0.954) 0.957 18.676 ( 0.016 0.000 0.007) 0.018 19.108 ( 0.023 0.000 0.066) 0.070 38.714 ( 0.087 0.000 0.146) 0.170 38.977 ( 1.752 0.000 -0.243) 1.769 62.655 ( -3.033 0.000 -3.566) 4.682 65.277 ( 7.173 0.000 -1.598) 7.349 ======================= Grid point 149 (49/252) ======================= q-point: (-0.40 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.761 ( -21.275 0.000 -1.912) 21.360 1.977 ( -15.833 0.000 -2.083) 15.969 2.784 ( 2.607 0.000 3.518) 4.378 3.190 ( 9.105 0.000 0.817) 9.142 3.528 ( -14.428 0.000 -2.997) 14.736 3.918 ( -5.957 0.000 6.246) 8.631 4.615 ( -2.810 0.000 -2.389) 3.689 4.642 ( -1.839 0.000 -10.512) 10.672 5.042 ( 5.072 0.000 -0.249) 5.078 5.321 ( -8.311 0.000 4.148) 9.288 5.491 ( -4.623 0.000 -0.645) 4.668 5.570 ( 1.919 0.000 0.747) 2.059 6.624 ( 6.116 0.000 -0.007) 6.116 6.999 ( -11.640 0.000 0.701) 11.661 7.243 ( 2.324 0.000 2.577) 3.470 7.530 ( 11.575 0.000 0.528) 11.587 7.815 ( -1.537 0.000 2.594) 3.015 8.518 ( 1.587 0.000 -0.214) 1.602 8.876 ( -5.055 0.000 0.567) 5.087 9.050 ( 0.474 0.000 0.191) 0.511 9.403 ( 1.908 0.000 1.864) 2.668 10.156 ( -11.293 0.000 -3.977) 11.973 17.965 ( 0.243 0.000 -1.068) 1.095 18.618 ( 0.211 0.000 1.151) 1.170 18.673 ( -0.327 0.000 0.014) 0.327 19.106 ( -0.202 0.000 0.079) 0.217 38.737 ( 2.285 0.000 0.401) 2.320 39.023 ( 2.965 0.000 0.328) 2.983 62.501 ( -11.199 0.000 -5.274) 12.379 65.380 ( 3.915 0.000 0.636) 3.966 ======================= Grid point 150 (50/252) ======================= q-point: (-0.30 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.346 ( -22.553 0.000 5.314) 23.171 1.606 ( -22.668 0.000 -0.321) 22.670 2.818 ( -0.028 0.000 1.881) 1.882 2.986 ( -31.540 0.000 8.330) 32.622 3.284 ( -11.466 0.000 -14.964) 18.852 3.928 ( 6.427 0.000 7.864) 10.156 4.513 ( -7.830 0.000 -15.441) 17.313 4.554 ( -2.797 0.000 -1.538) 3.192 5.093 ( -16.311 0.000 12.300) 20.429 5.140 ( 5.288 0.000 -1.196) 5.422 5.408 ( -2.840 0.000 -1.869) 3.400 5.649 ( 5.423 0.000 -1.490) 5.624 6.787 ( 10.501 0.000 2.297) 10.749 6.799 ( -9.688 0.000 1.278) 9.772 7.345 ( 7.232 0.000 1.768) 7.445 7.734 ( 9.415 0.000 0.101) 9.416 7.760 ( -5.098 0.000 1.582) 5.338 8.565 ( 3.598 0.000 -0.058) 3.599 8.725 ( -11.596 0.000 0.476) 11.606 9.060 ( 0.346 0.000 0.139) 0.372 9.441 ( 0.783 0.000 6.925) 6.969 9.876 ( -14.800 0.000 -9.626) 17.655 17.973 ( 0.959 0.000 -1.179) 1.520 18.626 ( 0.167 0.000 1.388) 1.398 18.664 ( -0.549 0.000 0.010) 0.549 19.101 ( -0.349 0.000 0.068) 0.355 38.799 ( 3.839 0.000 0.765) 3.914 39.087 ( 3.610 0.000 -0.163) 3.614 62.220 ( -15.820 0.000 -5.662) 16.802 65.425 ( 0.906 0.000 -2.599) 2.753 ======================= Grid point 151 (51/252) ======================= q-point: (-0.20 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.981 ( -19.656 0.000 18.167) 26.765 1.144 ( -26.354 0.000 4.431) 26.724 2.268 ( -46.882 0.000 9.456) 47.826 2.802 ( -1.667 0.000 -0.675) 1.799 2.876 ( -24.357 0.000 -10.653) 26.585 4.134 ( 10.905 0.000 -0.394) 10.912 4.221 ( -16.249 0.000 -14.702) 21.912 4.502 ( -2.201 0.000 -0.748) 2.325 4.886 ( -9.319 0.000 13.169) 16.133 5.224 ( 4.063 0.000 -2.355) 4.696 5.377 ( -0.274 0.000 0.658) 0.713 5.743 ( 4.848 0.000 -1.393) 5.044 6.650 ( -6.632 0.000 2.159) 6.974 7.022 ( 12.936 0.000 3.073) 13.296 7.491 ( 5.140 0.000 1.058) 5.247 7.648 ( -5.549 0.000 0.975) 5.634 7.875 ( 5.511 0.000 -0.213) 5.515 8.451 ( -16.400 0.000 0.058) 16.400 8.653 ( 5.543 0.000 0.003) 5.543 9.059 ( -0.580 0.000 0.083) 0.586 9.479 ( -5.517 0.000 12.894) 14.025 9.578 ( -6.017 0.000 -18.091) 19.065 17.993 ( 1.544 0.000 0.278) 1.569 18.632 ( -0.178 0.000 1.489) 1.500 18.654 ( -0.564 0.000 -0.004) 0.564 19.094 ( -0.361 0.000 0.036) 0.363 38.875 ( 3.635 0.000 0.496) 3.669 39.153 ( 3.454 0.000 -1.032) 3.604 61.903 ( -14.698 0.000 -4.927) 15.502 65.359 ( -6.317 0.000 -18.780) 19.813 ======================= Grid point 152 (52/252) ======================= q-point: (-0.10 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.698 ( -22.163 0.000 16.594) 27.687 0.770 ( -12.685 0.000 32.143) 34.556 1.340 ( -53.312 0.000 17.751) 56.189 2.400 ( -19.409 0.000 -8.213) 21.075 2.756 ( -2.164 0.000 -3.803) 4.376 3.825 ( -18.808 0.000 -12.854) 22.780 4.291 ( 5.261 0.000 -6.545) 8.397 4.469 ( -1.089 0.000 -0.113) 1.095 4.898 ( 9.487 0.000 17.164) 19.612 5.272 ( 2.102 0.000 -3.435) 4.027 5.409 ( 2.967 0.000 8.011) 8.543 5.817 ( 3.215 0.000 -0.584) 3.268 6.566 ( -3.254 0.000 3.142) 4.524 7.266 ( 10.740 0.000 1.911) 10.909 7.416 ( -8.195 0.000 -0.011) 8.195 7.656 ( 1.144 0.000 -1.271) 1.710 7.945 ( 2.254 0.000 -0.390) 2.287 8.191 ( -8.787 0.000 0.645) 8.811 8.757 ( 4.953 0.000 -0.111) 4.954 9.038 ( -1.513 0.000 0.087) 1.516 9.055 ( -34.031 0.000 -33.186) 47.534 9.725 ( 13.963 0.000 13.998) 19.771 18.073 ( 8.602 0.000 8.978) 12.434 18.628 ( -0.746 0.000 1.135) 1.358 18.645 ( -0.360 0.000 -0.024) 0.361 19.088 ( -0.239 0.000 -0.003) 0.239 38.922 ( 0.949 0.000 -1.003) 1.381 39.204 ( 2.280 0.000 -0.863) 2.438 61.675 ( -6.952 0.000 -2.785) 7.489 64.746 ( -62.100 0.000 -73.893) 96.523 ======================= Grid point 153 (53/252) ======================= q-point: ( 0.00 0.08 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.747 ( 1.517 17.826 20.124) 26.927 0.751 ( -8.008 25.052 12.283) 29.027 1.450 ( 2.862 39.912 31.836) 51.134 2.231 ( 3.228 3.175 -6.382) 7.825 2.893 ( -1.586 18.623 -7.757) 20.236 3.633 ( 1.416 4.537 1.288) 4.924 4.247 ( -1.079 -4.257 -9.494) 10.461 4.485 ( -0.656 1.236 -3.152) 3.449 5.258 ( -0.157 -3.616 -1.883) 4.080 5.336 ( 3.047 -11.378 9.319) 15.019 5.392 ( 23.348 -10.059 11.909) 28.074 5.847 ( 1.000 -2.182 1.081) 2.632 6.314 ( -12.919 -2.581 1.361) 13.244 7.292 ( -0.159 -2.906 -0.782) 3.014 7.404 ( -0.796 -17.432 0.269) 17.453 7.668 ( 2.128 0.474 -1.992) 2.953 8.029 ( -14.693 -0.492 -4.625) 15.412 8.154 ( 7.931 10.797 0.087) 13.397 8.397 ( -11.327 31.507 -21.774) 39.939 8.759 ( -1.404 -3.056 -0.679) 3.431 9.083 ( -3.434 8.689 -6.290) 11.263 10.032 ( 6.667 0.358 2.862) 7.264 18.176 ( 5.010 -10.635 10.053) 15.468 18.575 ( -1.650 -3.002 -0.824) 3.523 19.014 ( 1.933 9.149 -10.258) 13.881 19.175 ( 4.676 8.420 -3.327) 10.190 38.917 ( 0.166 -0.010 -0.087) 0.188 39.225 ( -0.138 -0.746 0.165) 0.776 61.655 ( 1.565 1.230 0.547) 2.064 62.136 ( -35.465 -2.904 2.554) 35.675 ======================= Grid point 154 (54/252) ======================= q-point: ( 0.10 0.08 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.968 ( 14.301 8.054 22.114) 27.539 1.182 ( 31.293 12.388 12.279) 35.826 1.778 ( 21.219 33.968 23.605) 46.490 2.496 ( 24.639 1.716 -4.207) 25.055 2.842 ( -0.215 18.241 -9.630) 20.628 3.757 ( 8.759 -1.432 -3.907) 9.697 4.147 ( -4.552 -3.259 -9.665) 11.170 4.489 ( 1.534 -0.435 -1.078) 1.925 5.227 ( -2.350 -1.855 -2.657) 4.002 5.347 ( -5.126 4.313 0.082) 6.700 5.450 ( -11.366 -16.344 24.081) 31.244 5.807 ( -1.140 -2.774 -0.085) 3.001 6.523 ( 17.564 -3.589 -3.319) 18.232 7.180 ( -14.470 0.619 -1.032) 14.520 7.334 ( 0.629 -1.149 -1.598) 2.066 7.664 ( -3.090 -1.852 -0.035) 3.603 7.854 ( 6.660 -2.922 -2.450) 7.675 8.345 ( 8.745 6.931 2.078) 11.350 8.467 ( 9.563 11.404 -13.570) 20.141 8.748 ( 7.014 2.518 -6.674) 10.004 9.049 ( -0.158 2.962 -1.369) 3.267 10.050 ( -1.542 2.616 3.169) 4.389 18.224 ( -3.526 -9.724 8.590) 13.446 18.531 ( -1.680 -3.124 -1.661) 3.917 18.902 ( -7.428 11.457 -3.183) 14.021 19.146 ( -2.421 5.640 0.905) 6.204 38.900 ( -2.236 -0.377 -0.824) 2.413 39.162 ( -5.126 -0.882 -0.419) 5.219 61.797 ( 13.421 -1.143 1.289) 13.532 63.020 ( 82.015 -23.120 -38.427) 93.475 ======================= Grid point 155 (55/252) ======================= q-point: ( 0.20 0.08 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.358 ( 17.672 1.073 21.817) 28.097 1.717 ( 20.199 13.690 16.167) 29.271 2.360 ( 29.991 16.840 5.260) 34.795 2.803 ( 2.486 16.123 -7.468) 17.942 3.037 ( 28.354 0.836 -4.222) 28.678 3.808 ( -2.735 0.046 -8.893) 9.304 4.140 ( 9.375 -7.550 -3.921) 12.659 4.521 ( 2.066 -2.330 -1.638) 3.519 5.140 ( -6.114 -1.907 1.960) 6.698 5.230 ( -3.497 6.874 4.518) 8.938 5.424 ( -1.072 -4.807 3.851) 6.252 5.786 ( -1.839 -4.328 1.633) 4.978 6.683 ( 1.683 -2.946 -2.048) 3.962 6.949 ( -7.739 12.021 1.130) 14.341 7.362 ( 2.176 -11.896 -1.786) 12.225 7.597 ( -4.795 -1.422 2.833) 5.748 7.980 ( 2.424 5.473 0.065) 5.986 8.456 ( 1.373 -7.201 -1.868) 7.565 8.550 ( 8.861 -0.453 1.509) 9.000 8.987 ( 16.201 10.669 -11.254) 22.427 9.043 ( -0.294 0.375 -0.092) 0.485 10.079 ( 3.834 3.392 3.125) 5.997 18.145 ( -6.088 -3.928 4.799) 8.691 18.516 ( 0.221 -4.632 -0.507) 4.665 18.800 ( -3.098 8.836 0.012) 9.363 19.123 ( -0.689 2.990 0.528) 3.113 38.839 ( -3.410 0.104 -0.722) 3.487 39.064 ( -4.533 -1.465 -2.065) 5.192 62.093 ( 15.984 -3.534 3.206) 16.681 64.104 ( 47.119 -23.816 -34.887) 63.281 ======================= Grid point 156 (56/252) ======================= q-point: ( 0.30 0.08 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.761 ( 16.879 -1.343 18.642) 25.184 2.100 ( 15.135 14.673 12.505) 24.510 2.700 ( 5.638 7.777 -9.575) 13.563 2.930 ( 11.215 12.431 -2.162) 16.882 3.416 ( 11.053 1.235 -8.993) 14.303 3.780 ( 5.813 -0.761 5.154) 7.806 4.375 ( 14.463 -9.680 -5.532) 18.261 4.547 ( 1.399 -5.043 -3.009) 6.037 5.045 ( -4.550 -2.420 0.739) 5.206 5.249 ( 4.060 7.829 3.901) 9.643 5.406 ( -0.967 -0.447 -2.058) 2.318 5.744 ( -3.497 -4.173 2.840) 6.141 6.627 ( -4.455 -1.934 -1.797) 5.179 6.915 ( 1.800 5.371 2.682) 6.268 7.393 ( 1.088 -14.333 -0.262) 14.377 7.506 ( -5.939 2.277 4.333) 7.697 7.908 ( -7.498 6.425 -0.585) 9.892 8.490 ( 1.574 -5.038 -0.597) 5.311 8.741 ( 9.507 -1.481 1.476) 9.735 9.047 ( 1.015 -0.093 0.001) 1.019 9.206 ( 10.367 10.268 -6.941) 16.158 10.203 ( 7.467 4.386 2.250) 8.947 18.057 ( -4.270 -1.483 1.843) 4.882 18.523 ( 0.416 -5.053 0.245) 5.076 18.765 ( -0.982 6.582 0.182) 6.657 19.117 ( -0.203 1.739 0.211) 1.763 38.777 ( -2.931 0.286 -0.136) 2.948 38.986 ( -2.570 -1.396 -2.477) 3.832 62.382 ( 12.715 -5.736 2.176) 14.118 64.659 ( 24.465 -18.410 -19.020) 36.044 ======================= Grid point 157 (57/252) ======================= q-point: ( 0.40 0.08 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.086 ( 9.743 -2.420 10.890) 14.812 2.345 ( 6.376 15.187 5.093) 17.241 2.743 ( 4.340 9.350 -3.736) 10.965 2.954 ( -3.663 5.942 -7.458) 10.215 3.566 ( 8.646 1.551 -2.470) 9.125 3.940 ( 4.442 -4.625 7.091) 9.561 4.543 ( 0.613 -9.402 -1.075) 9.483 4.592 ( 9.119 -4.843 -8.123) 13.138 4.974 ( -3.246 -1.850 0.453) 3.763 5.359 ( 1.998 0.789 -0.073) 2.149 5.418 ( 6.624 4.427 -1.385) 8.087 5.674 ( -4.902 -3.208 2.680) 6.442 6.560 ( -1.596 -0.460 -1.599) 2.305 6.987 ( 3.882 -4.359 2.788) 6.469 7.380 ( -2.991 -3.781 2.246) 5.319 7.414 ( -5.102 -0.858 2.618) 5.798 7.783 ( -4.038 1.827 0.020) 4.432 8.497 ( -0.262 -1.395 -0.347) 1.461 8.877 ( 4.080 -2.014 1.158) 4.695 9.078 ( 1.731 2.259 0.052) 2.846 9.339 ( 6.223 9.304 -3.882) 11.847 10.336 ( 4.927 5.499 0.938) 7.443 17.999 ( -2.255 -0.583 0.260) 2.343 18.531 ( 0.266 -4.984 0.571) 5.023 18.756 ( -0.243 5.584 0.133) 5.591 19.115 ( -0.048 1.019 0.095) 1.025 38.731 ( -1.817 0.166 0.117) 1.828 38.954 ( -0.154 -1.075 -1.480) 1.836 62.562 ( 5.694 -7.123 -0.576) 9.138 64.953 ( 12.910 -16.190 -7.769) 22.117 ======================= Grid point 158 (58/252) ======================= q-point: (-0.50 0.08 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.093 ( -10.527 -0.579 -1.040) 10.594 2.369 ( -5.570 16.090 -0.392) 17.031 2.827 ( 4.083 11.783 1.844) 12.606 2.978 ( 9.836 2.264 0.391) 10.101 3.650 ( -0.435 -2.482 -1.546) 2.956 3.964 ( -3.689 -4.199 5.089) 7.558 4.531 ( -0.863 -9.155 -2.287) 9.476 4.699 ( 4.590 -2.143 -6.607) 8.326 4.928 ( -1.540 -3.508 0.730) 3.900 5.366 ( 0.348 -0.475 -2.295) 2.369 5.541 ( 2.920 2.983 1.035) 4.301 5.591 ( -3.383 -1.986 1.514) 4.205 6.559 ( 2.013 0.501 -1.210) 2.401 7.035 ( -1.158 -9.629 2.895) 10.122 7.320 ( -3.719 1.545 1.138) 4.185 7.354 ( -0.066 0.632 1.548) 1.674 7.769 ( 1.590 -2.222 1.833) 3.290 8.495 ( 0.462 -0.766 -0.112) 0.901 8.911 ( -0.642 -1.789 0.783) 2.056 9.094 ( -0.181 3.927 -0.067) 3.932 9.422 ( 3.705 8.065 -1.253) 8.964 10.362 ( -2.733 6.279 -0.825) 6.898 17.971 ( -0.782 -0.241 -0.546) 0.984 18.538 ( 0.184 -4.857 0.784) 4.923 18.754 ( -0.028 5.291 0.118) 5.292 19.115 ( -0.044 0.706 0.054) 0.709 38.714 ( 0.098 0.115 0.155) 0.217 38.966 ( 1.548 -1.149 -0.198) 1.938 62.583 ( -2.793 -7.255 -3.262) 8.431 65.116 ( 6.528 -16.338 -1.488) 17.656 ======================= Grid point 159 (59/252) ======================= q-point: (-0.40 0.08 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.794 ( -18.738 3.805 -0.321) 19.123 2.146 ( -16.033 15.691 -2.466) 22.569 2.917 ( 3.403 12.819 3.422) 13.697 3.193 ( 8.493 0.301 -0.150) 8.500 3.517 ( -12.085 -0.815 -3.380) 12.575 3.875 ( -6.156 -4.186 5.764) 9.415 4.481 ( -3.996 -8.830 -2.901) 10.117 4.715 ( 0.159 2.665 -7.640) 8.093 4.936 ( 1.670 -9.338 1.958) 9.686 5.332 ( -4.497 -0.491 1.124) 4.661 5.484 ( -4.923 0.291 -1.584) 5.179 5.612 ( 1.940 3.207 1.381) 3.995 6.628 ( 5.507 0.393 0.227) 5.525 6.971 ( -5.055 -3.073 2.267) 6.335 7.290 ( 0.331 4.339 0.996) 4.464 7.405 ( 3.771 -10.029 0.837) 10.747 7.837 ( 4.733 0.707 1.942) 5.165 8.513 ( 1.086 -0.687 0.147) 1.293 8.860 ( -5.219 -1.979 0.676) 5.623 9.074 ( -1.640 2.134 -0.179) 2.697 9.473 ( 1.781 7.053 0.963) 7.338 10.221 ( -11.150 6.934 -3.100) 13.491 17.963 ( 0.208 -0.175 -0.988) 1.025 18.544 ( 0.187 -4.693 0.999) 4.801 18.755 ( 0.096 5.501 0.104) 5.503 19.114 ( -0.085 0.752 0.034) 0.757 38.738 ( 2.312 0.162 0.390) 2.350 39.005 ( 2.520 -1.743 0.332) 3.082 62.441 ( -10.345 -6.064 -4.855) 12.937 65.193 ( 1.687 -18.710 0.659) 18.798 ======================= Grid point 160 (60/252) ======================= q-point: (-0.30 0.08 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.434 ( -19.627 8.818 5.496) 22.208 1.786 ( -20.803 16.508 -0.222) 26.558 2.962 ( 0.312 13.973 1.413) 14.048 3.035 ( -27.149 5.254 6.949) 28.512 3.276 ( -11.693 -0.622 -13.688) 18.013 3.883 ( 6.222 -4.395 5.924) 9.650 4.343 ( -9.612 -9.406 -3.841) 13.986 4.673 ( -1.036 4.685 -9.186) 10.364 4.961 ( -2.505 -9.487 7.313) 12.238 5.228 ( -4.786 3.005 1.979) 5.988 5.383 ( -4.341 -0.148 -2.413) 4.969 5.670 ( 3.968 1.528 -0.842) 4.334 6.752 ( 5.653 -2.072 1.383) 6.177 6.912 ( -0.371 7.779 2.225) 8.100 7.334 ( 3.609 -1.413 0.758) 3.949 7.475 ( 3.144 -11.905 1.320) 12.384 7.948 ( 5.626 6.145 0.882) 8.378 8.528 ( 0.421 -3.535 0.558) 3.603 8.709 ( -11.088 -1.943 0.643) 11.275 9.045 ( -1.042 -0.716 -0.191) 1.279 9.502 ( 0.768 5.189 3.522) 6.319 9.946 ( -15.305 7.675 -6.671) 18.375 17.970 ( 0.835 -0.291 -1.048) 1.371 18.552 ( 0.299 -4.315 1.208) 4.491 18.760 ( 0.501 6.362 -0.021) 6.382 19.112 ( -0.102 1.092 0.024) 1.097 38.800 ( 3.747 0.110 0.712) 3.815 39.060 ( 3.146 -2.539 -0.032) 4.043 62.181 ( -14.604 -3.889 -5.228) 15.992 65.166 ( -5.266 -25.142 -1.633) 25.739 ======================= Grid point 161 (61/252) ======================= q-point: (-0.20 0.08 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.110 ( -17.863 13.163 10.957) 24.747 1.401 ( -19.906 21.564 7.442) 30.276 2.394 ( -41.846 13.457 8.193) 44.714 2.840 ( -19.288 0.677 -8.271) 20.998 3.004 ( -4.443 15.600 -3.249) 16.543 4.012 ( -2.847 -10.557 -4.634) 11.875 4.151 ( -1.673 -2.317 0.163) 2.862 4.614 ( -1.636 5.091 -9.903) 11.255 4.892 ( -6.225 -0.891 14.400) 15.713 5.217 ( 2.440 -0.957 -2.300) 3.487 5.317 ( -1.778 -2.436 -1.798) 3.511 5.743 ( 3.861 -0.164 -0.834) 3.953 6.759 ( -4.220 4.148 1.442) 6.091 7.038 ( 10.526 3.993 1.050) 11.307 7.403 ( 2.240 -7.914 1.946) 8.452 7.548 ( 4.707 -4.072 0.955) 6.296 7.996 ( -2.161 6.273 0.579) 6.660 8.474 ( -12.538 2.220 -0.249) 12.735 8.561 ( 3.802 -8.833 1.375) 9.715 9.024 ( -1.863 -2.806 -0.954) 3.501 9.552 ( 3.695 1.447 2.489) 4.685 9.629 ( -14.512 10.450 -7.373) 19.343 17.988 ( 1.357 -0.528 0.216) 1.473 18.566 ( 0.683 -3.518 1.246) 3.794 18.780 ( 2.121 8.839 -0.668) 9.115 19.110 ( -0.084 1.592 0.081) 1.597 38.872 ( 3.282 -0.292 0.459) 3.326 39.121 ( 3.432 -2.793 -0.527) 4.456 61.889 ( -13.526 -1.392 -4.525) 14.330 64.910 ( -23.291 -40.439 -11.683) 48.107 ======================= Grid point 162 (62/252) ======================= q-point: (-0.10 0.08 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.835 ( -14.681 17.169 12.704) 25.917 1.120 ( -18.244 22.525 17.442) 33.830 1.626 ( -36.977 29.473 16.767) 50.170 2.414 ( -17.861 1.723 -7.753) 19.548 2.950 ( -1.830 18.494 -4.785) 19.190 3.772 ( -13.044 -1.921 -3.860) 13.738 4.239 ( 4.572 -4.276 -4.338) 7.617 4.541 ( -2.597 3.331 -8.014) 9.059 4.935 ( 7.705 0.655 18.145) 19.724 5.254 ( 1.750 -3.027 -3.001) 4.608 5.307 ( 1.140 -2.432 -0.174) 2.692 5.803 ( 2.698 -1.240 -0.095) 2.971 6.620 ( -12.131 0.394 1.305) 12.207 7.227 ( 8.145 -6.906 -1.020) 10.728 7.411 ( -1.755 1.052 1.851) 2.759 7.638 ( 3.175 -1.224 -0.955) 3.535 7.950 ( 1.763 -1.491 1.712) 2.875 8.271 ( -8.737 7.028 -0.500) 11.224 8.663 ( 4.105 -7.528 0.007) 8.574 8.906 ( -11.782 -4.389 -7.534) 14.658 9.289 ( -13.410 13.770 -20.273) 27.936 9.759 ( 13.666 3.187 12.753) 18.962 18.040 ( 4.045 -2.201 5.427) 7.118 18.584 ( 0.573 -2.942 0.639) 3.065 18.867 ( 9.422 15.131 -4.306) 18.337 19.112 ( 0.393 2.296 0.601) 2.405 38.913 ( 0.926 -0.631 -0.474) 1.217 39.183 ( 3.206 -1.643 -0.080) 3.603 61.680 ( -6.225 0.595 -2.473) 6.725 63.928 ( -83.419 -58.641 -28.060) 105.759 ======================= Grid point 163 (63/252) ======================= q-point: ( 0.00 0.15 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.173 ( 1.791 24.365 8.963) 26.023 1.278 ( -7.069 27.698 4.290) 28.906 2.257 ( 4.656 33.657 14.023) 36.757 2.332 ( 0.400 14.665 0.147) 14.672 3.329 ( -0.557 23.040 -13.038) 26.479 3.766 ( -1.019 8.983 0.399) 9.049 4.163 ( -0.889 -2.330 -2.045) 3.225 4.495 ( -1.730 -0.061 -2.123) 2.739 4.991 ( 5.136 -10.943 13.567) 18.171 5.244 ( 2.317 -2.204 -1.926) 3.733 5.486 ( 6.308 6.038 -3.611) 9.449 5.791 ( 0.428 -3.627 0.024) 3.652 6.273 ( -6.067 -2.162 -1.535) 6.621 7.065 ( -3.730 -15.989 0.194) 16.419 7.210 ( -0.504 -5.517 -0.702) 5.585 7.670 ( 1.129 -1.824 0.328) 2.170 7.951 ( -6.171 -3.599 -0.986) 7.211 8.231 ( 4.544 -2.097 1.399) 5.196 8.669 ( 2.563 5.100 -2.519) 6.239 8.763 ( -3.496 1.236 -2.060) 4.242 9.344 ( -5.878 14.629 -16.270) 22.655 10.037 ( 5.707 0.304 7.300) 9.271 18.053 ( 1.767 -3.849 4.864) 6.450 18.500 ( -1.269 -4.591 -1.296) 4.936 19.127 ( -0.994 4.777 -3.792) 6.180 19.301 ( 3.933 4.498 -2.968) 6.671 38.918 ( -0.087 0.138 -0.040) 0.168 39.204 ( -0.059 -1.423 0.103) 1.428 61.691 ( 1.377 2.409 0.467) 2.814 62.104 ( -12.362 -0.811 1.452) 12.474 ======================= Grid point 164 (64/252) ======================= q-point: ( 0.10 0.15 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.284 ( 5.948 22.038 8.469) 24.347 1.482 ( 22.842 17.755 7.565) 29.904 2.479 ( 12.682 32.620 11.976) 36.991 2.551 ( 20.866 7.357 1.150) 22.155 3.271 ( -0.119 23.070 -13.863) 26.915 3.773 ( 1.834 3.128 -0.824) 3.718 4.106 ( -3.675 0.510 -4.345) 5.713 4.473 ( -0.761 -0.493 0.857) 1.248 5.101 ( 1.206 -9.977 8.442) 13.125 5.260 ( 0.250 -3.522 1.792) 3.960 5.456 ( -6.330 5.353 1.184) 8.374 5.768 ( -1.389 -1.984 -0.639) 2.505 6.441 ( 14.736 -5.281 -5.272) 16.517 6.997 ( 2.389 -11.859 -2.156) 12.288 7.335 ( 5.462 -1.898 -0.804) 5.838 7.586 ( -9.230 -6.497 1.866) 11.440 7.853 ( 3.909 2.352 -1.056) 4.683 8.377 ( 4.576 -4.910 1.398) 6.856 8.568 ( -8.047 3.413 -0.216) 8.744 8.822 ( 8.779 1.861 -5.240) 10.392 9.238 ( 0.235 14.706 -11.114) 18.435 10.104 ( 0.892 2.822 6.285) 6.948 18.086 ( -0.512 -5.009 5.102) 7.168 18.462 ( -1.728 -4.051 -2.000) 4.837 19.061 ( -4.661 6.169 -3.501) 8.487 19.261 ( -4.772 5.263 0.908) 7.162 38.897 ( -2.113 0.089 -0.347) 2.143 39.142 ( -5.554 -1.151 -0.013) 5.672 61.779 ( 9.687 -0.441 0.872) 9.736 62.646 ( 54.483 -14.744 -12.900) 57.898 ======================= Grid point 165 (65/252) ======================= q-point: ( 0.20 0.15 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.499 ( 12.250 12.770 12.175) 21.480 1.955 ( 21.914 11.332 8.980) 26.254 2.788 ( 14.014 23.264 0.454) 27.162 2.979 ( 21.316 1.605 -1.535) 21.431 3.263 ( 5.523 21.693 -7.096) 23.483 3.814 ( 1.555 1.056 -2.895) 3.452 4.040 ( 0.806 -1.590 -2.281) 2.895 4.461 ( -1.079 -2.589 1.178) 3.042 5.077 ( -4.916 -4.503 2.932) 7.283 5.289 ( 1.265 -6.549 4.482) 8.036 5.385 ( -0.681 6.694 -0.484) 6.746 5.740 ( -1.449 -1.203 -0.997) 2.131 6.560 ( 1.863 -9.522 -4.808) 10.828 7.065 ( -0.111 -1.212 -0.569) 1.344 7.239 ( -8.408 -0.518 1.747) 8.603 7.572 ( 3.114 -1.269 0.023) 3.363 8.022 ( 7.651 -0.550 0.651) 7.698 8.302 ( -5.022 -7.159 0.092) 8.745 8.571 ( 5.228 0.685 1.422) 5.461 8.963 ( 5.793 -4.000 -2.161) 7.364 9.284 ( 8.438 15.195 -8.616) 19.399 10.179 ( 5.623 6.856 4.841) 10.102 18.068 ( -2.686 -3.613 3.237) 5.544 18.434 ( -0.494 -4.117 -1.215) 4.321 18.957 ( -4.539 7.216 -1.219) 8.611 19.195 ( -2.695 4.022 1.305) 5.014 38.844 ( -3.025 0.439 -0.462) 3.092 39.034 ( -5.138 -1.418 -0.899) 5.405 62.007 ( 12.639 -4.968 2.148) 13.749 63.584 ( 45.507 -27.448 -18.374) 56.231 ======================= Grid point 166 (66/252) ======================= q-point: ( 0.30 0.15 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.800 ( 14.018 5.326 12.894) 19.777 2.357 ( 17.752 10.282 8.430) 22.179 2.904 ( 1.707 12.244 -11.772) 17.071 3.213 ( 5.503 13.090 -6.121) 15.463 3.485 ( 14.137 7.954 1.203) 16.265 3.775 ( -3.021 1.124 2.648) 4.172 4.180 ( 11.773 -9.706 -1.612) 15.343 4.445 ( -0.120 -4.064 -0.674) 4.122 4.984 ( -5.334 -3.636 2.728) 7.008 5.322 ( 0.853 -5.694 1.713) 6.007 5.411 ( 3.446 5.611 -2.134) 6.922 5.701 ( -2.355 -0.518 -1.317) 2.748 6.551 ( -0.462 -6.123 -2.919) 6.799 6.961 ( -7.233 -1.348 2.578) 7.797 7.188 ( 0.485 -5.433 0.758) 5.507 7.582 ( -2.918 4.136 2.336) 5.575 7.954 ( -9.053 -0.372 -0.313) 9.066 8.384 ( 6.578 -5.691 0.335) 8.704 8.695 ( 7.118 -3.487 1.457) 8.059 9.034 ( 3.594 -1.865 -0.890) 4.146 9.449 ( 10.094 14.632 -5.716) 18.672 10.339 ( 9.047 9.633 2.828) 13.515 18.023 ( -2.597 -1.797 1.259) 3.400 18.431 ( 0.200 -4.596 -0.166) 4.603 18.892 ( -2.206 6.332 -0.288) 6.711 19.160 ( -1.464 2.574 0.606) 3.023 38.786 ( -2.976 0.628 -0.104) 3.044 38.956 ( -2.482 -1.501 -1.454) 3.244 62.234 ( 10.045 -8.979 1.566) 13.563 64.193 ( 26.002 -28.212 -12.480) 40.346 ======================= Grid point 167 (67/252) ======================= q-point: ( 0.40 0.15 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.069 ( 8.479 0.868 8.586) 12.098 2.672 ( 11.259 15.031 5.830) 19.664 2.879 ( 3.142 5.323 -8.483) 10.496 3.180 ( -5.518 16.569 -6.479) 18.627 3.637 ( 2.431 6.375 -2.226) 7.177 3.806 ( 3.076 -9.271 7.602) 12.377 4.328 ( 2.605 -11.775 0.292) 12.064 4.494 ( 6.499 -5.068 -4.474) 9.377 4.909 ( -3.709 -4.107 3.368) 6.479 5.332 ( 0.074 -4.595 -0.951) 4.693 5.488 ( 5.320 2.591 -2.277) 6.341 5.643 ( -3.112 0.347 -1.869) 3.647 6.543 ( 0.805 -1.425 -0.958) 1.896 6.871 ( -3.696 -7.310 3.795) 9.028 7.232 ( 3.544 -5.563 1.010) 6.673 7.485 ( -7.646 2.239 2.200) 8.265 7.810 ( -5.234 1.882 -0.014) 5.562 8.449 ( 1.180 -3.569 0.095) 3.760 8.817 ( 4.330 -4.292 0.904) 6.163 9.106 ( 3.774 -0.120 -0.537) 3.814 9.588 ( 6.054 16.024 -2.983) 17.387 10.499 ( 6.054 11.193 1.142) 12.776 17.986 ( -1.529 -0.707 0.102) 1.687 18.436 ( 0.282 -4.826 0.436) 4.854 18.865 ( -0.764 5.574 -0.084) 5.627 19.141 ( -0.738 1.577 0.216) 1.755 38.737 ( -1.943 0.520 0.093) 2.013 38.929 ( -0.096 -1.305 -0.949) 1.616 62.376 ( 4.448 -11.536 -0.414) 12.371 64.519 ( 13.096 -27.753 -5.719) 31.217 ======================= Grid point 168 (68/252) ======================= q-point: (-0.50 0.15 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.106 ( -6.347 2.012 1.121) 6.752 2.750 ( -5.042 21.165 0.622) 21.766 3.034 ( 9.792 3.513 -2.392) 10.675 3.071 ( 2.165 10.602 0.496) 10.832 3.626 ( -2.618 1.883 -2.392) 4.015 3.844 ( -1.959 -7.907 4.599) 9.355 4.339 ( -0.769 -10.048 0.556) 10.093 4.595 ( 5.512 -8.337 -4.672) 11.032 4.857 ( -3.515 -3.310 2.805) 5.583 5.317 ( -1.203 -4.837 -2.052) 5.391 5.574 ( -0.167 0.714 -0.984) 1.227 5.587 ( 2.367 1.017 -2.141) 3.349 6.579 ( 2.813 1.611 0.578) 3.293 6.839 ( -1.197 -10.582 4.155) 11.431 7.310 ( 3.600 -1.355 -0.230) 3.854 7.340 ( -7.068 -2.227 1.564) 7.574 7.766 ( 0.456 1.888 0.539) 2.015 8.466 ( 0.909 -2.372 0.556) 2.600 8.852 ( -0.719 -4.261 0.357) 4.336 9.144 ( -0.046 0.325 -0.521) 0.616 9.659 ( 2.355 16.119 -1.108) 16.328 10.544 ( -1.946 12.236 -0.268) 12.392 17.966 ( -0.549 -0.210 -0.487) 0.764 18.444 ( 0.295 -4.835 0.785) 4.907 18.858 ( 0.013 5.355 -0.041) 5.355 19.133 ( -0.196 1.124 0.020) 1.141 38.720 ( 0.115 0.485 0.168) 0.526 38.938 ( 1.074 -1.517 -0.108) 1.862 62.392 ( -2.198 -11.897 -2.480) 12.350 64.673 ( 4.973 -28.594 -1.234) 29.050 ======================= Grid point 169 (69/252) ======================= q-point: (-0.40 0.15 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.910 ( -13.120 7.877 1.587) 15.385 2.496 ( -17.942 18.214 -2.052) 25.649 3.185 ( 6.776 3.487 2.814) 8.123 3.233 ( 8.367 12.695 -2.465) 15.403 3.511 ( -8.792 0.612 -2.709) 9.221 3.783 ( -4.594 -3.719 3.311) 6.775 4.296 ( -4.231 -9.848 0.191) 10.720 4.684 ( 5.555 -9.505 -2.293) 11.245 4.787 ( -4.516 -1.440 1.051) 4.855 5.265 ( -3.671 -5.633 -2.180) 7.068 5.535 ( -1.480 4.366 -1.799) 4.948 5.647 ( 1.967 -0.357 0.151) 2.005 6.637 ( 2.656 0.216 1.488) 3.052 6.871 ( 3.484 -7.290 3.912) 8.977 7.232 ( -3.228 -5.858 1.045) 6.770 7.383 ( 3.374 3.921 -1.150) 5.299 7.830 ( 5.887 -0.882 0.737) 5.998 8.483 ( 0.067 -2.471 1.120) 2.714 8.793 ( -5.774 -4.870 0.312) 7.560 9.103 ( -3.607 -0.165 -0.797) 3.697 9.670 ( -0.880 13.453 -0.176) 13.483 10.421 ( -10.426 13.253 -1.508) 16.930 17.960 ( 0.126 -0.103 -0.792) 0.809 18.454 ( 0.435 -4.693 1.045) 4.827 18.864 ( 0.743 5.706 -0.096) 5.755 19.133 ( 0.240 1.239 -0.078) 1.264 38.744 ( 2.334 0.487 0.351) 2.410 38.965 ( 1.643 -2.208 0.304) 2.770 62.282 ( -8.047 -9.935 -3.774) 13.330 64.698 ( -2.618 -31.272 0.623) 31.388 ======================= Grid point 170 (70/252) ======================= q-point: (-0.30 0.15 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.666 ( -13.400 14.508 4.733) 20.309 2.135 ( -19.102 17.196 0.758) 25.714 3.143 ( -12.939 2.425 -3.122) 13.529 3.262 ( -16.017 9.385 -1.346) 18.613 3.352 ( 3.939 17.097 -2.445) 17.715 3.783 ( 4.159 -4.529 2.108) 6.500 4.187 ( -6.596 -6.359 1.003) 9.217 4.697 ( -4.914 -5.608 3.247) 8.133 4.789 ( 5.436 -3.828 -3.258) 7.404 5.175 ( -4.101 -5.676 -2.549) 7.452 5.481 ( -4.249 7.616 0.134) 8.722 5.679 ( 2.265 -1.187 -1.043) 2.762 6.682 ( 1.350 -5.448 0.211) 5.616 6.998 ( 8.304 -0.406 4.394) 9.404 7.229 ( 1.306 -5.345 2.492) 6.041 7.440 ( 3.772 5.060 -2.515) 6.794 7.982 ( 9.276 -1.782 0.862) 9.485 8.439 ( -6.406 -5.451 2.007) 8.648 8.647 ( -8.648 -4.269 -0.025) 9.644 9.028 ( -3.411 -1.985 -1.241) 4.137 9.632 ( -2.614 9.030 -0.173) 9.402 10.168 ( -14.752 14.377 -2.307) 20.728 17.964 ( 0.548 -0.265 -0.778) 0.988 18.469 ( 0.777 -4.436 1.194) 4.659 18.889 ( 2.221 6.820 -0.383) 7.183 19.141 ( 0.545 1.815 -0.095) 1.897 38.804 ( 3.524 0.356 0.576) 3.588 39.004 ( 2.512 -2.892 0.158) 3.834 62.080 ( -11.302 -6.233 -4.100) 13.543 64.547 ( -14.887 -36.533 -0.078) 39.450 ======================= Grid point 171 (71/252) ======================= q-point: (-0.20 0.15 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.442 ( -12.361 19.875 4.710) 23.875 1.813 ( -16.320 19.082 7.672) 26.255 2.750 ( -25.818 15.077 0.451) 29.902 2.876 ( -21.952 10.172 -2.854) 24.361 3.396 ( 1.876 21.916 -6.427) 22.916 3.849 ( -0.122 -4.988 0.395) 5.005 4.118 ( 0.021 -0.585 1.925) 2.012 4.623 ( -3.613 -4.595 -0.004) 5.845 4.845 ( 0.575 -1.724 2.035) 2.729 5.132 ( 1.278 -5.878 -2.930) 6.691 5.401 ( -3.119 8.146 -0.818) 8.761 5.725 ( 2.656 -2.091 -0.958) 3.514 6.676 ( -2.184 -9.258 -1.435) 9.620 7.135 ( -0.689 1.199 1.298) 1.897 7.299 ( 8.565 -2.721 4.664) 10.125 7.514 ( 4.290 0.933 -1.516) 4.644 8.053 ( -8.610 0.091 1.746) 8.786 8.353 ( 3.356 -11.506 1.846) 12.126 8.513 ( -4.801 0.960 -0.672) 4.942 8.957 ( -4.102 -4.239 -2.122) 6.269 9.604 ( 1.157 5.365 -4.043) 6.816 9.891 ( -12.782 14.846 0.899) 19.610 17.976 ( 0.918 -0.621 0.078) 1.112 18.491 ( 1.114 -4.295 0.975) 4.543 18.958 ( 5.857 8.891 -1.439) 10.743 19.152 ( 0.596 2.591 0.087) 2.660 38.867 ( 2.727 -0.067 0.373) 2.753 39.066 ( 4.085 -2.623 0.071) 4.855 61.854 ( -10.329 -1.963 -3.499) 11.081 64.063 ( -38.410 -42.625 -2.843) 57.448 ======================= Grid point 172 (72/252) ======================= q-point: (-0.10 0.15 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.245 ( -9.472 23.366 4.694) 25.646 1.535 ( -18.224 21.025 10.191) 29.631 2.318 ( -16.552 32.596 7.651) 37.349 2.491 ( -15.865 11.350 -2.225) 19.634 3.379 ( -0.206 22.387 -10.285) 24.638 3.806 ( -3.092 5.866 0.597) 6.657 4.156 ( 1.793 -2.858 0.209) 3.380 4.554 ( -3.078 -1.952 -3.299) 4.916 4.873 ( 1.775 -4.348 9.423) 10.528 5.184 ( 4.369 -3.661 -3.204) 6.539 5.386 ( 2.755 7.371 -2.744) 8.334 5.765 ( 1.882 -2.838 -0.479) 3.439 6.540 ( -13.169 -7.305 -1.601) 15.144 7.061 ( -2.193 -8.494 -0.261) 8.777 7.404 ( -8.608 -2.465 2.029) 9.181 7.587 ( 6.421 -5.318 1.384) 8.451 7.907 ( 0.724 -0.996 1.264) 1.764 8.326 ( -7.830 -4.047 -0.565) 8.833 8.573 ( 7.489 -0.097 0.046) 7.490 8.857 ( -4.982 -1.317 -2.796) 5.863 9.538 ( -6.456 11.040 -18.110) 22.170 9.845 ( 7.051 5.918 12.367) 15.417 18.004 ( 1.683 -1.592 2.397) 3.333 18.510 ( 0.422 -4.564 0.058) 4.584 19.103 ( 8.637 8.836 -5.824) 13.660 19.172 ( 3.047 3.901 1.814) 5.272 38.905 ( 1.338 -0.071 -0.044) 1.340 39.151 ( 4.498 -1.608 0.246) 4.784 61.699 ( -4.256 1.420 -1.770) 4.823 63.040 ( -65.542 -32.334 -2.498) 73.126 ======================= Grid point 173 (73/252) ======================= q-point: ( 0.00 0.23 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.647 ( 1.818 24.047 4.260) 24.489 1.786 ( -4.946 24.460 0.830) 24.969 2.421 ( 3.310 5.856 -3.327) 7.505 3.042 ( -0.662 33.670 8.837) 34.817 3.611 ( 2.590 4.793 -19.281) 20.036 3.948 ( -4.097 9.245 0.042) 10.112 4.315 ( -1.539 19.270 7.891) 20.880 4.492 ( 0.692 0.625 3.943) 4.052 4.865 ( 2.258 -2.013 4.659) 5.555 5.190 ( 2.612 -3.174 -0.996) 4.229 5.567 ( 3.369 0.991 -3.752) 5.139 5.719 ( 0.550 -3.164 -1.173) 3.419 6.232 ( -1.619 -1.777 -4.681) 5.262 6.817 ( -6.102 -9.437 0.802) 11.267 7.083 ( 0.426 -7.506 -0.383) 7.528 7.548 ( -0.891 -10.317 4.052) 11.120 7.960 ( -1.825 4.151 -2.063) 4.982 8.145 ( 3.003 -5.112 1.590) 6.138 8.734 ( 5.867 -1.392 -0.668) 6.067 8.768 ( -5.788 2.367 0.045) 6.253 9.570 ( -3.718 8.450 -13.256) 16.153 10.045 ( 3.898 0.341 8.461) 9.322 18.001 ( 0.735 -1.704 2.078) 2.786 18.404 ( -0.878 -5.216 -1.291) 5.445 19.215 ( -0.994 4.275 -1.857) 4.766 19.365 ( 2.376 2.417 -1.159) 3.582 38.924 ( -0.139 0.453 0.015) 0.474 39.171 ( 0.012 -1.971 0.033) 1.972 61.746 ( 1.044 3.309 0.406) 3.493 62.093 ( -4.943 -0.462 0.563) 4.996 ======================= Grid point 174 (74/252) ======================= q-point: ( 0.10 0.23 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.742 ( 1.038 24.114 1.000) 24.157 1.836 ( 14.299 18.254 4.617) 23.643 2.599 ( 15.345 2.966 -2.042) 15.762 3.124 ( 5.583 25.644 4.939) 26.705 3.575 ( 1.113 6.804 -16.344) 17.738 3.889 ( -1.594 9.305 0.542) 9.456 4.264 ( -5.721 16.667 3.622) 17.990 4.507 ( -1.598 5.316 6.482) 8.534 4.941 ( 3.275 -5.888 3.453) 7.571 5.199 ( -1.539 -3.320 1.744) 4.054 5.536 ( -3.224 2.484 -2.761) 4.918 5.716 ( -0.561 -3.800 -0.320) 3.855 6.329 ( 6.932 -5.415 -6.639) 11.021 6.814 ( 10.257 -6.774 -1.503) 12.384 7.260 ( 14.109 -5.703 -0.922) 15.246 7.425 ( -11.265 -9.535 4.145) 15.329 7.932 ( 0.617 5.474 -0.911) 5.584 8.240 ( 2.817 -7.530 1.313) 8.146 8.600 ( -7.613 -0.737 0.614) 7.674 8.833 ( 2.894 -0.259 -1.387) 3.220 9.506 ( 1.850 11.968 -10.390) 15.957 10.155 ( 5.672 2.329 6.862) 9.202 18.017 ( -0.070 -2.369 2.364) 3.347 18.377 ( -1.234 -4.679 -1.743) 5.143 19.166 ( -3.445 4.882 -2.306) 6.405 19.339 ( -3.899 2.977 0.765) 4.965 38.903 ( -1.926 0.580 -0.149) 2.017 39.118 ( -5.114 -1.432 0.068) 5.312 61.785 ( 4.950 1.091 0.640) 5.109 62.426 ( 33.611 -8.909 -4.422) 35.052 ======================= Grid point 175 (75/252) ======================= q-point: ( 0.20 0.23 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.807 ( 5.196 17.824 3.349) 18.866 2.168 ( 17.317 10.869 5.125) 21.078 2.915 ( 16.808 -2.357 -3.636) 17.358 3.217 ( 3.547 12.350 -6.696) 14.489 3.599 ( 6.213 10.118 -2.945) 12.234 3.902 ( 2.714 8.650 -0.527) 9.082 4.135 ( -8.661 13.362 1.628) 16.007 4.475 ( -3.846 5.212 6.543) 9.207 4.976 ( -1.169 -5.535 1.282) 5.800 5.173 ( -1.239 -4.770 3.763) 6.201 5.488 ( -0.295 2.825 -5.224) 5.946 5.701 ( -0.874 -3.423 0.470) 3.564 6.375 ( 2.585 -7.714 -5.459) 9.797 7.016 ( 3.047 -3.403 -0.085) 4.569 7.215 ( -8.023 -2.539 3.269) 9.028 7.526 ( 10.864 -3.843 -2.180) 11.728 7.992 ( 4.213 -1.871 0.410) 4.628 8.199 ( -3.526 -3.446 1.150) 5.062 8.548 ( 0.410 -3.091 1.404) 3.420 8.876 ( 3.463 -5.112 -1.193) 6.289 9.577 ( 8.778 14.986 -6.529) 18.554 10.327 ( 10.311 7.821 4.459) 13.688 18.013 ( -1.041 -2.037 1.600) 2.792 18.353 ( -0.659 -4.350 -1.217) 4.564 19.080 ( -4.379 5.610 -1.550) 7.284 19.266 ( -3.814 3.176 1.382) 5.152 38.857 ( -2.746 0.849 -0.244) 2.885 39.011 ( -5.340 -0.923 -0.251) 5.426 61.918 ( 7.782 -3.859 1.280) 8.780 63.094 ( 35.407 -22.923 -8.204) 42.970 ======================= Grid point 176 (76/252) ======================= q-point: ( 0.30 0.23 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.953 ( 8.079 9.936 5.840) 14.075 2.499 ( 16.208 5.241 3.522) 17.395 3.056 ( 0.593 1.684 -12.883) 13.006 3.336 ( 12.340 0.431 -1.362) 12.422 3.729 ( 5.542 10.398 1.079) 11.832 3.873 ( -11.541 11.317 3.379) 16.514 4.046 ( 3.581 -1.896 -2.185) 4.604 4.431 ( -2.548 3.187 4.382) 5.987 4.919 ( -4.592 -2.715 2.728) 5.991 5.187 ( 1.109 -6.586 2.016) 6.976 5.479 ( 1.683 0.020 -7.532) 7.718 5.686 ( -0.999 -1.375 0.137) 1.705 6.421 ( 3.724 -5.980 -2.138) 7.362 6.892 ( -10.394 -4.957 2.212) 11.726 7.171 ( -0.650 2.449 1.236) 2.819 7.601 ( -2.574 -2.528 0.218) 3.615 7.959 ( -5.113 1.549 -0.756) 5.396 8.275 ( 6.735 -5.355 1.641) 8.760 8.602 ( 5.187 -6.077 1.209) 8.080 8.961 ( 5.472 -5.814 -1.060) 8.054 9.762 ( 11.504 17.431 -3.673) 21.205 10.553 ( 11.547 11.612 2.271) 16.533 17.994 ( -1.204 -1.084 0.582) 1.722 18.344 ( -0.079 -4.458 -0.338) 4.471 19.006 ( -2.844 5.463 -0.680) 6.196 19.209 ( -2.641 2.355 0.790) 3.625 38.801 ( -2.973 1.005 -0.066) 3.139 38.934 ( -2.528 -0.792 -0.638) 2.725 62.059 ( 6.172 -8.585 1.024) 10.623 63.622 ( 22.998 -29.967 -6.879) 38.396 ======================= Grid point 177 (77/252) ======================= q-point: ( 0.40 0.23 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.116 ( 5.725 3.729 5.181) 8.575 2.809 ( 15.895 0.752 0.318) 15.916 3.001 ( 0.215 5.370 -8.263) 9.857 3.541 ( -0.884 16.422 -4.232) 16.981 3.593 ( -7.730 -9.561 7.200) 14.248 3.794 ( 0.476 8.104 -1.024) 8.183 4.129 ( 4.236 -7.523 -0.201) 8.636 4.404 ( -1.717 -3.626 1.029) 4.141 4.853 ( -3.241 -1.017 3.673) 5.003 5.211 ( 0.686 -6.566 -0.002) 6.601 5.498 ( 3.089 -2.348 -6.928) 7.940 5.659 ( -1.631 0.871 -1.150) 2.178 6.497 ( 4.549 -3.483 1.141) 5.842 6.734 ( -7.078 -6.043 3.659) 10.001 7.193 ( 3.140 1.249 0.593) 3.431 7.479 ( -9.020 -1.999 0.302) 9.244 7.868 ( -4.006 3.524 0.033) 5.336 8.367 ( 2.903 -4.569 0.563) 5.442 8.712 ( 4.559 -6.496 0.486) 7.950 9.055 ( 4.289 -5.176 -0.659) 6.754 9.940 ( 7.663 19.916 -1.763) 21.412 10.744 ( 7.276 13.302 0.839) 15.185 17.976 ( -0.760 -0.256 -0.074) 0.806 18.345 ( 0.176 -4.634 0.309) 4.648 18.967 ( -1.154 5.005 -0.311) 5.146 19.172 ( -1.488 1.526 0.281) 2.150 38.753 ( -1.958 1.069 0.067) 2.231 38.908 ( -0.254 -0.838 -0.479) 0.998 62.145 ( 2.576 -11.690 -0.169) 11.971 63.923 ( 11.603 -32.931 -3.650) 35.106 ======================= Grid point 178 (78/252) ======================= q-point: (-0.50 0.23 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.162 ( -2.364 3.429 2.183) 4.702 3.021 ( 5.553 2.342 -6.805) 9.091 3.120 ( 13.509 2.348 2.882) 14.011 3.201 ( -18.736 7.061 0.916) 20.043 3.663 ( -2.425 -5.914 1.862) 6.658 3.805 ( 3.700 12.418 -2.493) 13.195 4.179 ( -0.218 -5.332 1.376) 5.511 4.389 ( 1.389 -12.350 -0.782) 12.453 4.823 ( -1.587 0.059 3.216) 3.586 5.204 ( -1.173 -5.865 -1.828) 6.255 5.543 ( 3.560 -4.310 -4.274) 7.036 5.626 ( -0.901 2.644 -1.985) 3.426 6.604 ( 6.022 -1.873 2.641) 6.837 6.644 ( -4.392 -6.799 5.270) 9.659 7.290 ( 6.591 -0.218 -0.707) 6.632 7.306 ( -8.368 -0.675 0.181) 8.397 7.816 ( -1.185 2.749 -0.651) 3.063 8.408 ( 1.367 -3.318 1.253) 3.801 8.748 ( -0.866 -6.434 -0.395) 6.504 9.096 ( -0.114 -5.131 -0.550) 5.162 10.021 ( 1.265 20.706 -0.638) 20.755 10.807 ( -1.099 14.140 -0.082) 14.182 17.965 ( -0.277 0.198 -0.404) 0.529 18.352 ( 0.336 -4.704 0.712) 4.769 18.957 ( 0.121 4.858 -0.181) 4.863 19.155 ( -0.327 1.136 -0.030) 1.182 38.735 ( 0.109 1.106 0.151) 1.122 38.912 ( 0.593 -1.145 -0.053) 1.291 62.151 ( -1.505 -12.264 -1.531) 12.450 64.052 ( 3.261 -34.658 -0.961) 34.824 ======================= Grid point 179 (79/252) ======================= q-point: (-0.40 0.23 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.077 ( -6.472 8.749 2.587) 11.186 2.769 ( -20.537 8.981 -1.012) 22.438 3.174 ( 5.236 -3.059 -7.458) 9.612 3.341 ( 5.264 -5.852 5.076) 9.366 3.598 ( 0.527 7.672 -1.712) 7.878 3.858 ( 0.744 12.873 0.139) 12.896 4.138 ( -2.802 -4.890 1.219) 5.766 4.459 ( 4.517 -11.857 1.867) 12.825 4.799 ( -1.795 1.412 0.576) 2.356 5.155 ( -3.045 -4.821 -2.578) 6.258 5.587 ( 2.053 -5.567 -2.276) 6.355 5.620 ( 0.680 3.743 -1.606) 4.129 6.598 ( -2.641 -5.521 4.905) 7.843 6.741 ( 7.576 -4.061 3.109) 9.141 7.194 ( -2.714 1.339 0.687) 3.104 7.422 ( 7.019 0.253 -1.711) 7.229 7.828 ( 3.085 0.883 -1.076) 3.385 8.419 ( -1.474 -3.896 2.140) 4.683 8.679 ( -6.075 -6.762 -0.605) 9.111 9.047 ( -4.395 -5.523 -1.056) 7.137 9.985 ( -4.707 18.606 -0.201) 19.194 10.701 ( -9.756 14.749 -0.663) 17.696 17.962 ( 0.044 0.311 -0.564) 0.645 18.363 ( 0.570 -4.695 0.957) 4.826 18.971 ( 1.449 5.212 -0.202) 5.413 19.159 ( 0.706 1.336 -0.199) 1.524 38.758 ( 2.231 0.986 0.279) 2.455 38.927 ( 1.032 -1.569 0.204) 1.889 62.081 ( -4.986 -10.134 -2.445) 11.556 64.037 ( -5.214 -35.997 0.433) 36.375 ======================= Grid point 180 (80/252) ======================= q-point: (-0.30 0.23 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.963 ( -6.659 15.342 3.563) 17.100 2.402 ( -17.852 10.328 1.255) 20.662 3.081 ( -11.219 -6.671 -8.376) 15.509 3.395 ( 1.143 0.176 0.307) 1.197 3.659 ( 0.246 9.607 -3.500) 10.228 3.866 ( 3.066 16.056 3.381) 16.691 4.129 ( 1.348 2.332 1.496) 3.081 4.512 ( -1.752 -9.596 7.695) 12.424 4.795 ( 3.440 1.404 -4.962) 6.199 5.079 ( -3.756 -3.515 -2.296) 5.633 5.588 ( -1.878 -1.990 -1.904) 3.333 5.634 ( 1.700 1.290 -0.480) 2.188 6.562 ( -2.744 -6.102 1.496) 6.855 6.924 ( 10.461 -5.692 4.245) 12.643 7.204 ( 1.586 1.752 2.519) 3.454 7.521 ( 4.035 1.599 -3.084) 5.325 7.937 ( 8.893 -1.466 -0.648) 9.036 8.324 ( -10.916 -6.127 2.926) 12.855 8.549 ( -5.671 -5.876 -0.840) 8.209 8.946 ( -5.184 -6.496 -1.667) 8.477 9.864 ( -7.095 14.663 -0.366) 16.293 10.458 ( -14.961 14.693 -0.742) 20.983 17.962 ( 0.242 0.175 -0.531) 0.609 18.380 ( 0.877 -4.728 0.995) 4.910 19.015 ( 3.558 6.023 -0.443) 7.009 19.178 ( 1.377 2.003 -0.246) 2.444 38.814 ( 3.257 0.723 0.409) 3.362 38.957 ( 2.340 -1.810 0.180) 2.964 61.957 ( -6.862 -5.989 -2.699) 9.499 63.831 ( -17.789 -36.341 0.610) 40.466 ======================= Grid point 181 (81/252) ======================= q-point: (-0.20 0.23 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.840 ( -7.516 20.709 1.041) 22.055 2.122 ( -13.229 13.128 6.255) 19.659 2.787 ( -15.441 -1.867 -7.193) 17.137 3.310 ( -11.002 20.190 2.838) 23.167 3.612 ( 0.855 1.126 -10.132) 10.230 3.978 ( 5.141 16.253 0.329) 17.050 4.184 ( 2.767 10.451 5.987) 12.358 4.481 ( -2.992 -7.911 7.601) 11.372 4.857 ( 2.503 2.321 -4.575) 5.708 5.032 ( 1.234 -4.026 -1.815) 4.585 5.528 ( -2.754 2.217 -1.964) 4.044 5.671 ( 2.202 -1.698 -0.825) 2.900 6.506 ( -3.182 -7.070 -1.977) 8.001 7.085 ( -2.549 -5.260 2.991) 6.566 7.232 ( 5.646 -4.128 4.187) 8.151 7.545 ( -2.277 0.058 -1.622) 2.796 8.030 ( -11.139 -1.671 1.986) 11.437 8.161 ( 6.381 -7.444 -0.150) 9.805 8.492 ( 0.072 -3.084 -0.843) 3.198 8.860 ( -2.635 -5.796 -1.721) 6.595 9.757 ( -2.912 9.943 -2.316) 10.616 10.166 ( -14.964 12.934 0.953) 19.801 17.968 ( 0.455 -0.144 -0.066) 0.481 18.401 ( 0.920 -4.969 0.630) 5.092 19.109 ( 6.802 6.625 -1.229) 9.575 19.205 ( 1.411 2.818 -0.064) 3.152 38.871 ( 2.485 0.464 0.277) 2.543 39.025 ( 4.695 -1.645 0.186) 4.978 61.821 ( -6.044 -1.223 -2.266) 6.570 63.341 ( -34.608 -31.916 0.355) 47.080 ======================= Grid point 182 (82/252) ======================= q-point: (-0.10 0.23 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.700 ( -6.766 23.226 1.048) 24.214 1.926 ( -10.500 18.949 6.083) 22.501 2.508 ( -10.080 3.745 -5.637) 12.141 3.109 ( -9.527 32.891 7.066) 34.964 3.613 ( 3.383 1.984 -15.565) 16.052 4.011 ( -1.140 10.975 -2.697) 11.359 4.268 ( 2.367 18.546 10.748) 21.566 4.473 ( -0.277 -5.423 4.040) 6.768 4.846 ( -1.141 1.921 1.128) 2.503 5.111 ( 5.975 -3.633 -2.654) 7.480 5.504 ( 1.911 2.802 -3.113) 4.603 5.703 ( 1.553 -2.436 -1.275) 3.157 6.396 ( -8.452 -6.409 -4.316) 11.451 6.917 ( -8.567 -6.428 1.724) 10.849 7.314 ( -18.963 -7.048 1.310) 20.272 7.433 ( 9.472 -9.292 4.622) 14.051 7.942 ( 2.148 4.122 -0.633) 4.691 8.192 ( -4.527 -7.407 -0.403) 8.691 8.578 ( 8.476 -1.157 -0.186) 8.556 8.838 ( -0.661 -1.069 -1.017) 1.617 9.702 ( -3.231 6.407 -11.513) 13.566 9.980 ( -3.596 7.214 8.587) 11.778 17.980 ( 0.754 -0.751 0.970) 1.440 18.414 ( 0.206 -5.300 -0.252) 5.310 19.219 ( 1.503 4.134 -2.479) 5.049 19.260 ( 7.512 4.537 0.041) 8.776 38.909 ( 1.502 0.462 0.081) 1.573 39.120 ( 4.680 -1.670 0.149) 4.972 61.736 ( -1.749 2.431 -1.050) 3.174 62.594 ( -40.433 -16.176 1.067) 43.562 ======================= Grid point 183 (83/252) ======================= q-point: ( 0.00 0.31 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.076 ( 0.942 19.730 2.261) 19.881 2.213 ( -2.123 19.803 -0.867) 19.935 2.524 ( 2.615 4.647 -1.807) 5.630 3.361 ( 0.768 -2.307 -11.919) 12.164 3.796 ( -1.102 18.123 -0.726) 18.171 4.117 ( -4.006 7.334 2.584) 8.747 4.492 ( 4.311 3.829 3.573) 6.783 4.778 ( -0.805 19.211 3.570) 19.557 4.942 ( -0.516 11.517 6.622) 13.295 5.139 ( 1.734 -0.980 -2.122) 2.910 5.508 ( 4.873 -5.700 -4.199) 8.595 5.672 ( -2.337 -2.938 -4.115) 5.570 6.222 ( 0.486 1.046 -5.149) 5.277 6.697 ( -6.318 -3.351 2.315) 7.517 6.925 ( 1.252 -8.748 0.209) 8.840 7.314 ( -1.648 -13.097 5.239) 14.202 8.043 ( 1.837 0.288 -0.181) 1.868 8.096 ( -0.037 3.761 0.053) 3.762 8.665 ( 1.391 -4.446 0.335) 4.670 8.807 ( -0.778 0.704 -0.398) 1.122 9.682 ( -1.832 3.798 -8.683) 9.653 10.041 ( 1.779 -1.069 6.633) 6.950 17.984 ( 0.296 -0.025 0.659) 0.723 18.302 ( -0.565 -5.285 -1.047) 5.418 19.290 ( -0.718 3.503 -1.064) 3.730 19.400 ( 1.401 1.258 -0.419) 1.929 38.937 ( -0.111 0.929 0.052) 0.937 39.129 ( 0.058 -2.334 -0.017) 2.334 61.816 ( 0.672 3.802 0.336) 3.875 62.081 ( -2.161 -0.859 0.158) 2.331 ======================= Grid point 184 (84/252) ======================= q-point: ( 0.10 0.31 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.145 ( 1.721 15.630 -0.362) 15.729 2.200 ( 4.540 20.381 1.765) 20.955 2.647 ( 10.044 1.914 -0.787) 10.256 3.329 ( 0.544 -2.642 -13.464) 13.732 3.757 ( -2.315 13.690 0.302) 13.887 4.065 ( -1.910 7.585 1.625) 7.989 4.580 ( 1.683 11.181 5.655) 12.642 4.731 ( -4.853 15.662 3.074) 16.682 4.927 ( -2.978 7.793 2.673) 8.760 5.137 ( -1.375 -2.850 2.251) 3.883 5.544 ( -0.841 -1.519 -8.308) 8.487 5.610 ( -0.924 -6.879 0.543) 6.962 6.268 ( 3.021 -0.522 -5.110) 5.959 6.726 ( 11.527 -2.785 -0.060) 11.859 7.112 ( 13.534 -9.564 0.514) 16.580 7.244 ( -4.739 -8.758 3.956) 10.715 8.047 ( -4.091 5.226 -0.420) 6.650 8.126 ( 4.063 -3.128 0.782) 5.187 8.549 ( -8.149 -3.888 0.837) 9.067 8.811 ( -1.720 -2.212 -0.205) 2.809 9.698 ( 6.194 8.217 -7.001) 12.446 10.184 ( 10.836 0.368 5.182) 12.017 17.991 ( 0.026 -0.382 0.777) 0.866 18.284 ( -0.787 -4.864 -1.325) 5.103 19.251 ( -2.951 3.934 -1.500) 5.141 19.381 ( -2.996 1.415 0.585) 3.365 38.919 ( -1.734 1.036 -0.045) 2.020 39.087 ( -4.177 -1.732 0.051) 4.522 61.821 ( 1.283 2.555 0.480) 2.899 62.280 ( 19.811 -6.627 -1.705) 20.960 ======================= Grid point 185 (85/252) ======================= q-point: ( 0.20 0.31 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.137 ( -0.041 15.110 -1.018) 15.144 2.374 ( 10.113 10.451 3.320) 14.917 2.855 ( 11.324 -3.325 -1.743) 11.930 3.283 ( -0.089 -3.103 -13.004) 13.369 3.734 ( -0.494 6.072 2.922) 6.757 4.059 ( 0.547 6.246 0.274) 6.276 4.507 ( -11.818 21.455 3.741) 24.779 4.657 ( -4.512 11.196 5.763) 13.376 4.888 ( -0.426 -2.525 -2.280) 3.429 5.117 ( -2.032 -0.865 5.941) 6.338 5.456 ( -2.720 -6.213 -11.080) 12.991 5.632 ( 1.221 -2.667 2.574) 3.902 6.296 ( 2.538 -0.750 -3.472) 4.366 6.912 ( -0.935 -7.609 1.876) 7.892 7.170 ( 4.509 -1.568 2.327) 5.311 7.432 ( 12.413 -5.394 -1.704) 13.641 7.970 ( -1.363 -0.055 -0.589) 1.486 8.162 ( 0.139 -0.633 0.693) 0.949 8.463 ( -2.403 -5.290 1.540) 6.011 8.762 ( -0.835 -6.710 0.263) 6.767 9.857 ( 12.461 13.916 -4.275) 19.163 10.457 ( 15.598 5.134 2.951) 16.684 17.990 ( -0.304 -0.314 0.475) 0.646 18.267 ( -0.527 -4.497 -0.987) 4.634 19.176 ( -4.082 4.398 -1.329) 6.146 19.314 ( -3.981 1.784 1.026) 4.481 38.877 ( -2.577 1.178 -0.107) 2.836 38.996 ( -4.828 -0.766 -0.027) 4.888 61.869 ( 3.061 -1.015 0.754) 3.312 62.698 ( 23.098 -18.308 -3.525) 29.683 ======================= Grid point 186 (86/252) ======================= q-point: ( 0.30 0.31 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.153 ( 1.781 9.926 0.839) 10.120 2.577 ( 10.482 2.920 1.181) 10.945 3.006 ( 5.087 -5.117 -6.548) 9.743 3.274 ( 3.615 -5.637 -4.605) 8.127 3.752 ( 0.603 -1.846 3.888) 4.346 4.066 ( -0.280 1.974 -0.848) 2.167 4.237 ( -15.793 19.734 1.165) 25.302 4.562 ( -7.629 8.997 4.220) 12.528 4.881 ( -0.259 -1.515 -1.032) 1.851 5.111 ( -0.634 -0.450 5.340) 5.396 5.396 ( 0.765 -7.502 -10.817) 13.186 5.657 ( 0.470 -1.730 1.719) 2.484 6.348 ( 3.560 -1.657 -0.194) 3.932 6.781 ( -9.364 -6.508 2.080) 11.591 7.250 ( 0.824 5.159 1.170) 5.354 7.528 ( -0.834 -3.788 -0.473) 3.908 7.991 ( 0.003 1.167 -2.417) 2.684 8.192 ( 3.579 -2.854 2.686) 5.308 8.468 ( 3.848 -7.578 0.747) 8.531 8.815 ( 5.253 -9.048 -0.173) 10.463 10.107 ( 14.233 17.928 -2.181) 22.995 10.755 ( 14.384 8.671 1.311) 16.846 17.984 ( -0.353 0.125 0.060) 0.379 18.258 ( -0.165 -4.385 -0.363) 4.403 19.102 ( -3.153 4.425 -0.785) 5.490 19.247 ( -3.340 1.477 0.669) 3.713 38.824 ( -2.823 1.344 -0.032) 3.127 38.924 ( -2.518 -0.316 -0.230) 2.548 61.924 ( 2.252 -4.849 0.662) 5.387 63.064 ( 16.369 -27.308 -3.467) 32.026 ======================= Grid point 187 (87/252) ======================= q-point: ( 0.40 0.31 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.199 ( 2.028 4.432 1.675) 5.154 2.778 ( 10.872 -3.436 -2.214) 11.615 3.035 ( 2.499 -1.770 -6.884) 7.534 3.334 ( -0.405 -12.494 3.506) 12.983 3.736 ( -6.260 -1.522 4.460) 7.836 4.008 ( -1.617 9.734 -3.787) 10.569 4.060 ( -1.183 4.050 -1.131) 4.369 4.405 ( -9.822 4.511 2.316) 11.054 4.866 ( -1.195 1.392 0.653) 1.947 5.124 ( 0.120 -1.431 3.010) 3.335 5.400 ( 2.863 -7.038 -8.960) 11.748 5.662 ( -0.371 -1.016 0.867) 1.386 6.421 ( 3.175 -3.702 3.189) 5.827 6.641 ( -5.420 -4.075 2.915) 7.381 7.258 ( 1.150 4.847 0.113) 4.983 7.448 ( -6.398 -0.584 -0.433) 6.439 7.928 ( -4.130 2.569 -0.725) 4.917 8.288 ( 4.468 -3.170 0.921) 5.555 8.570 ( 4.790 -8.052 -0.192) 9.371 8.915 ( 4.568 -9.002 -0.149) 10.096 10.334 ( 9.385 20.240 -0.902) 22.328 10.980 ( 8.442 10.375 0.361) 13.380 17.979 ( -0.188 0.608 -0.197) 0.666 18.257 ( 0.099 -4.420 0.185) 4.425 19.056 ( -1.459 4.118 -0.428) 4.390 19.197 ( -2.033 0.987 0.231) 2.271 38.779 ( -1.787 1.604 0.037) 2.402 38.897 ( -0.547 -0.425 -0.224) 0.728 61.953 ( 0.615 -7.479 0.046) 7.505 63.285 ( 8.387 -32.333 -2.132) 33.471 ======================= Grid point 188 (88/252) ======================= q-point: (-0.50 0.31 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.225 ( 0.039 2.743 1.569) 3.160 2.949 ( 7.968 -7.884 -6.691) 13.054 3.093 ( 4.913 -4.274 -1.301) 6.641 3.191 ( -14.873 -7.071 4.173) 16.989 3.639 ( -1.887 1.801 1.610) 3.065 4.068 ( 3.760 8.525 -1.015) 9.373 4.113 ( 9.463 -4.230 -2.416) 10.643 4.229 ( -8.890 3.616 1.265) 9.681 4.848 ( -0.854 2.018 1.077) 2.441 5.128 ( -0.711 -1.252 1.392) 2.002 5.425 ( 2.557 -7.400 -6.715) 10.315 5.657 ( -0.161 -0.014 0.274) 0.318 6.462 ( -0.468 -6.683 4.798) 8.240 6.623 ( 1.667 -1.336 4.813) 5.266 7.309 ( 2.552 2.074 -1.867) 3.782 7.327 ( -3.437 2.829 0.176) 4.455 7.865 ( -1.768 2.405 -1.775) 3.473 8.350 ( 1.522 -2.407 1.651) 3.291 8.607 ( -0.791 -8.027 -1.198) 8.154 8.959 ( -0.324 -8.678 -0.139) 8.685 10.430 ( 0.724 20.903 -0.212) 20.917 11.057 ( -0.523 11.049 -0.162) 11.063 17.976 ( -0.052 0.918 -0.305) 0.969 18.263 ( 0.313 -4.486 0.558) 4.531 19.043 ( 0.210 3.976 -0.256) 3.990 19.174 ( -0.356 0.777 -0.086) 0.858 38.762 ( 0.076 1.711 0.093) 1.715 38.895 ( 0.262 -0.700 -0.060) 0.750 61.949 ( -0.900 -8.014 -0.725) 8.097 63.375 ( 1.897 -34.536 -0.716) 34.596 ======================= Grid point 189 (89/252) ======================= q-point: (-0.40 0.31 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.221 ( -0.750 5.630 2.443) 6.183 2.853 ( -17.148 0.570 -0.093) 17.158 3.019 ( -0.692 -12.870 -5.857) 14.157 3.203 ( 5.741 -5.839 -1.803) 8.385 3.683 ( 4.976 1.077 1.703) 5.368 4.107 ( -2.982 2.477 0.398) 3.897 4.172 ( 6.370 10.208 2.549) 12.300 4.295 ( 9.421 0.440 -1.771) 9.596 4.835 ( -1.025 2.302 -0.123) 2.523 5.106 ( -1.991 0.169 0.804) 2.154 5.444 ( 1.605 -8.719 -5.021) 10.189 5.664 ( 0.783 0.289 0.164) 0.851 6.470 ( -0.402 -5.824 6.290) 8.582 6.692 ( 3.656 -2.529 3.431) 5.616 7.259 ( -0.826 4.785 0.518) 4.883 7.416 ( 6.101 -0.162 -1.850) 6.378 7.858 ( 2.250 2.155 -2.729) 4.142 8.346 ( -3.279 -3.299 2.587) 5.323 8.537 ( -5.724 -7.834 -1.518) 9.820 8.901 ( -5.221 -9.212 -0.679) 10.610 10.361 ( -7.591 19.626 0.091) 21.044 10.958 ( -9.695 11.216 -0.427) 14.831 17.974 ( -0.008 1.018 -0.353) 1.078 18.273 ( 0.536 -4.588 0.754) 4.681 19.062 ( 1.973 4.210 -0.218) 4.655 19.182 ( 1.225 1.047 -0.279) 1.635 38.782 ( 1.949 1.487 0.172) 2.457 38.905 ( 0.848 -0.855 0.061) 1.206 61.917 ( -2.030 -6.270 -1.280) 6.713 63.349 ( -4.909 -34.426 0.187) 34.774 ======================= Grid point 190 (90/252) ======================= q-point: (-0.30 0.31 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.223 ( -0.180 10.578 3.096) 11.023 2.546 ( -14.734 5.148 0.457) 15.614 2.916 ( -7.095 -9.632 -6.800) 13.761 3.302 ( 5.899 -7.126 -6.238) 11.158 3.767 ( 1.633 2.399 4.454) 5.316 4.121 ( 3.684 5.000 -1.694) 6.438 4.331 ( 8.772 14.154 6.052) 17.717 4.424 ( 3.780 5.404 0.119) 6.596 4.825 ( 1.847 1.857 -3.198) 4.134 5.061 ( -3.046 1.896 1.292) 3.813 5.448 ( 0.710 -9.192 -4.866) 10.425 5.680 ( 0.620 0.441 0.750) 1.069 6.470 ( -2.193 -3.165 3.935) 5.505 6.806 ( 7.504 -6.325 3.439) 10.399 7.263 ( -1.357 3.878 1.876) 4.517 7.504 ( 3.456 -2.289 -1.860) 4.543 7.940 ( 7.268 1.361 -3.027) 7.990 8.220 ( -11.350 -4.265 2.897) 12.466 8.422 ( -4.205 -7.124 -1.278) 8.371 8.788 ( -5.405 -9.550 -1.091) 11.028 10.172 ( -11.515 16.527 0.082) 20.143 10.706 ( -16.262 10.467 -0.392) 19.344 17.973 ( 0.023 0.960 -0.342) 1.019 18.288 ( 0.706 -4.801 0.719) 4.906 19.118 ( 4.107 4.593 -0.330) 6.170 19.215 ( 2.195 1.686 -0.360) 2.791 38.832 ( 2.951 1.086 0.245) 3.154 38.933 ( 2.343 -0.871 0.067) 2.501 61.867 ( -2.601 -2.891 -1.454) 4.152 63.175 ( -14.155 -31.226 0.556) 34.289 ======================= Grid point 191 (91/252) ======================= q-point: (-0.20 0.31 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.216 ( -2.601 17.411 -0.001) 17.604 2.323 ( -8.525 7.780 3.736) 12.131 2.735 ( -8.968 -3.177 -6.172) 11.341 3.369 ( 4.092 -7.231 -9.906) 12.929 3.789 ( -0.497 11.479 5.153) 12.592 4.173 ( 1.354 2.093 0.614) 2.567 4.439 ( -1.060 8.765 0.594) 8.849 4.534 ( 9.695 19.924 5.821) 22.910 4.906 ( 7.058 1.796 -4.253) 8.434 5.009 ( -2.557 2.877 2.509) 4.595 5.441 ( 0.719 -8.263 -5.737) 10.085 5.692 ( 0.467 0.930 0.445) 1.132 6.417 ( -3.882 -2.305 -0.438) 4.536 6.945 ( 1.426 -8.802 4.503) 9.989 7.168 ( -5.890 -2.146 2.163) 6.631 7.488 ( -8.515 -5.278 0.328) 10.024 8.017 ( -4.614 0.343 1.359) 4.822 8.077 ( 4.619 -1.288 -2.487) 5.401 8.403 ( 2.550 -5.820 -1.067) 6.443 8.734 ( 1.136 -7.238 -0.586) 7.350 9.967 ( -9.379 11.286 -0.956) 14.705 10.373 ( -18.081 8.188 0.590) 19.858 17.973 ( 0.124 0.781 -0.165) 0.808 18.303 ( 0.600 -5.139 0.352) 5.186 19.214 ( 6.140 4.362 -0.709) 7.565 19.257 ( 2.185 2.413 -0.285) 3.268 38.884 ( 2.429 0.895 0.184) 2.595 38.999 ( 4.531 -1.119 0.074) 4.667 61.816 ( -2.050 0.856 -1.204) 2.527 62.816 ( -23.556 -22.956 0.735) 32.900 ======================= Grid point 192 (92/252) ======================= q-point: (-0.10 0.31 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.117 ( -5.180 19.053 0.273) 19.746 2.255 ( -2.522 15.211 2.525) 15.624 2.568 ( -5.690 2.596 -4.203) 7.536 3.383 ( 1.564 -4.795 -11.360) 12.429 3.799 ( 0.080 18.369 2.597) 18.551 4.172 ( -2.157 4.660 2.672) 5.789 4.431 ( 0.966 5.117 0.365) 5.220 4.711 ( 6.098 21.351 5.738) 22.934 4.942 ( -1.830 7.932 3.594) 8.899 5.066 ( 6.609 0.328 -2.619) 7.116 5.447 ( 2.695 -6.982 -5.798) 9.467 5.699 ( 0.224 0.134 -1.644) 1.665 6.316 ( -6.036 -1.697 -4.000) 7.437 6.811 ( -9.304 -4.639 2.899) 10.793 7.129 ( -14.682 -11.192 2.136) 18.585 7.270 ( -0.130 -7.768 4.521) 8.989 8.032 ( 2.552 2.814 -0.873) 3.898 8.092 ( -1.340 -0.697 -0.667) 1.651 8.520 ( 9.490 -4.387 -0.270) 10.459 8.802 ( 3.586 -2.930 -0.425) 4.651 9.808 ( -7.025 4.966 -5.750) 10.348 10.093 ( -10.408 3.956 4.648) 12.065 17.977 ( 0.278 0.448 0.231) 0.575 18.310 ( 0.071 -5.393 -0.336) 5.404 19.288 ( 1.218 3.070 -0.847) 3.410 19.330 ( 5.725 2.773 -0.551) 6.385 38.923 ( 1.495 0.910 0.102) 1.754 39.086 ( 4.080 -1.837 0.022) 4.475 61.793 ( 0.306 3.467 -0.502) 3.517 62.354 ( -23.141 -9.740 0.901) 25.123 ======================= Grid point 193 (93/252) ======================= q-point: ( 0.00 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.384 ( -0.026 11.889 1.262) 11.956 2.557 ( 0.577 15.895 -1.479) 15.974 2.592 ( 1.648 2.240 -0.581) 2.841 3.225 ( 1.515 -8.959 -9.876) 13.420 4.073 ( -1.064 9.035 -0.485) 9.110 4.224 ( -2.482 3.933 5.469) 7.179 4.634 ( 1.900 10.881 -5.693) 12.426 5.000 ( 1.320 5.457 1.710) 5.869 5.109 ( -0.539 3.275 1.527) 3.654 5.314 ( -2.369 14.141 2.176) 14.502 5.403 ( 7.717 -3.079 -0.849) 8.352 5.593 ( -4.203 -3.771 -6.096) 8.310 6.273 ( 0.183 4.132 -2.152) 4.662 6.675 ( -5.331 0.838 2.986) 6.167 6.749 ( 2.136 -9.385 0.862) 9.663 7.065 ( -1.862 -12.233 4.928) 13.319 8.040 ( 1.402 1.188 0.686) 1.962 8.190 ( 0.001 2.959 -0.452) 2.994 8.597 ( 1.442 -1.457 0.402) 2.089 8.791 ( 0.241 -2.307 -0.329) 2.343 9.742 ( -1.026 2.963 -4.737) 5.681 9.995 ( 0.317 -3.712 3.760) 5.293 18.000 ( 0.073 1.587 -0.066) 1.590 18.203 ( -0.341 -4.926 -0.798) 5.001 19.349 ( -0.399 2.571 -0.696) 2.693 19.415 ( 0.753 0.278 -0.217) 0.831 38.960 ( -0.052 1.481 0.055) 1.483 39.083 ( 0.072 -2.463 -0.030) 2.464 61.890 ( 0.324 3.810 0.241) 3.831 62.058 ( -0.962 -1.641 0.023) 1.902 ======================= Grid point 194 (94/252) ======================= q-point: ( 0.10 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.388 ( -0.415 9.823 0.463) 9.843 2.538 ( -0.833 12.330 0.620) 12.373 2.683 ( 6.835 3.590 -0.675) 7.750 3.211 ( 0.753 -7.715 -10.066) 12.705 4.001 ( -6.404 10.769 -0.500) 12.539 4.176 ( -3.122 4.083 4.283) 6.690 4.695 ( 5.499 3.931 -5.295) 8.587 4.986 ( -3.970 9.966 4.222) 11.528 5.093 ( -1.523 -1.474 -2.986) 3.662 5.201 ( -10.132 12.502 4.452) 16.697 5.460 ( -4.721 -4.435 -2.462) 6.930 5.532 ( 3.634 -0.287 -2.358) 4.342 6.298 ( 1.816 3.269 -1.909) 4.199 6.682 ( 6.217 -2.973 0.820) 6.940 6.924 ( 10.638 -8.098 2.439) 13.591 7.089 ( 6.463 -7.459 2.046) 10.079 8.062 ( -1.163 0.021 0.610) 1.314 8.171 ( -1.007 3.029 -0.293) 3.205 8.486 ( -9.125 -1.383 1.070) 9.291 8.745 ( -5.873 -4.555 0.511) 7.450 9.839 ( 11.742 6.727 -4.093) 14.138 10.161 ( 14.929 -2.774 2.773) 15.435 18.000 ( 0.021 1.371 -0.061) 1.372 18.192 ( -0.448 -4.630 -0.970) 4.751 19.317 ( -2.615 2.925 -0.969) 4.041 19.396 ( -2.507 0.219 0.282) 2.532 38.943 ( -1.693 1.477 0.010) 2.247 39.051 ( -3.171 -1.956 0.028) 3.726 61.882 ( -0.355 3.732 0.298) 3.761 62.162 ( 10.312 -5.705 -0.713) 11.807 ======================= Grid point 195 (95/252) ======================= q-point: ( 0.20 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.360 ( -2.276 8.164 -0.700) 8.504 2.548 ( 1.301 5.678 2.248) 6.244 2.818 ( 7.115 1.008 -1.189) 7.283 3.182 ( -0.064 -6.266 -9.184) 11.118 3.864 ( -7.180 7.510 0.677) 10.412 4.134 ( -3.468 1.550 3.167) 4.946 4.769 ( 2.710 1.217 -5.128) 5.926 4.868 ( -11.086 13.915 5.357) 18.580 4.942 ( -10.480 6.685 -1.818) 12.563 5.106 ( -0.524 -3.115 -0.981) 3.308 5.357 ( -4.436 0.252 -1.713) 4.762 5.585 ( 1.565 -2.683 1.582) 3.485 6.321 ( 1.442 2.795 -1.309) 3.407 6.735 ( -3.105 -10.064 2.565) 10.840 7.160 ( 14.611 0.578 1.362) 14.685 7.333 ( 13.517 -4.633 -0.635) 14.303 7.992 ( -3.151 2.160 -1.191) 4.002 8.162 ( -0.222 0.002 -0.007) 0.222 8.366 ( -4.631 -3.753 1.748) 6.212 8.621 ( -4.867 -7.717 1.320) 9.218 10.110 ( 17.355 12.202 -2.544) 21.367 10.511 ( 19.726 0.192 1.406) 19.777 18.000 ( -0.014 1.324 -0.152) 1.333 18.181 ( -0.308 -4.325 -0.766) 4.404 19.250 ( -3.865 3.263 -0.951) 5.147 19.335 ( -3.844 0.412 0.530) 3.902 38.902 ( -2.533 1.409 -0.029) 2.899 38.979 ( -3.957 -0.985 0.018) 4.078 61.884 ( 0.253 2.694 0.385) 2.733 62.383 ( 12.341 -14.376 -1.504) 19.006 ======================= Grid point 196 (96/252) ======================= q-point: ( 0.30 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.312 ( -2.242 6.386 -0.522) 6.788 2.597 ( 3.216 -1.627 0.945) 3.725 2.922 ( 4.300 -1.934 -2.426) 5.303 3.154 ( 0.072 -6.295 -5.360) 8.268 3.755 ( -4.715 2.491 1.977) 5.687 4.051 ( -6.177 -3.158 1.207) 7.042 4.570 ( -15.282 13.396 0.109) 20.323 4.721 ( -10.629 6.705 2.891) 12.896 4.865 ( 2.573 0.726 -5.974) 6.545 5.115 ( 1.291 -3.446 -0.328) 3.694 5.295 ( -1.377 1.160 -1.918) 2.631 5.606 ( 0.046 -3.769 2.620) 4.590 6.347 ( 1.415 1.322 0.854) 2.117 6.643 ( -6.155 -7.530 2.142) 9.959 7.352 ( 3.164 4.949 1.145) 5.985 7.478 ( 2.640 -1.366 -0.281) 2.986 8.007 ( 2.790 1.102 -3.187) 4.376 8.170 ( 1.227 0.192 2.069) 2.413 8.325 ( 2.130 -6.619 0.488) 6.970 8.623 ( 3.796 -10.453 0.798) 11.150 10.436 ( 16.905 15.702 -1.252) 23.106 10.867 ( 16.872 2.607 0.502) 17.080 18.000 ( 0.050 1.457 -0.233) 1.476 18.175 ( -0.088 -4.137 -0.354) 4.153 19.176 ( -3.361 3.316 -0.662) 4.767 19.264 ( -3.617 0.322 0.355) 3.648 38.852 ( -2.554 1.520 -0.015) 2.972 38.918 ( -2.393 -0.459 -0.086) 2.438 61.887 ( -0.262 1.220 0.355) 1.298 62.582 ( 8.946 -22.279 -1.643) 24.064 ======================= Grid point 197 (97/252) ======================= q-point: ( 0.40 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.277 ( -1.221 3.735 -0.569) 3.971 2.671 ( 4.378 -7.949 -1.319) 9.170 2.967 ( 1.952 -3.348 -3.107) 4.967 3.139 ( -1.260 -7.619 -0.405) 7.733 3.696 ( -2.902 -0.686 3.001) 4.230 3.933 ( -5.181 -6.336 -0.358) 8.193 4.342 ( -7.197 13.203 -1.748) 15.138 4.522 ( -10.217 5.666 0.645) 11.701 4.888 ( 1.516 1.544 -4.718) 5.191 5.136 ( 0.125 -0.804 3.688) 3.777 5.287 ( 1.443 -1.481 -5.274) 5.665 5.610 ( -0.484 -4.319 3.091) 5.333 6.376 ( 0.555 -0.659 3.414) 3.521 6.559 ( -2.861 -4.612 3.018) 6.210 7.358 ( -0.384 5.002 -0.258) 5.023 7.461 ( -3.472 1.548 0.121) 3.803 7.975 ( -3.243 2.835 -1.931) 4.720 8.252 ( 4.814 -0.926 0.835) 4.973 8.415 ( 5.007 -7.079 -0.731) 8.701 8.722 ( 5.164 -10.601 0.525) 11.804 10.699 ( 10.488 17.145 -0.454) 20.104 11.122 ( 9.535 4.019 0.013) 10.347 18.000 ( 0.122 1.649 -0.232) 1.670 18.175 ( 0.105 -4.066 0.056) 4.068 19.125 ( -1.752 3.069 -0.414) 3.558 19.208 ( -2.279 0.140 0.082) 2.285 38.813 ( -1.501 1.842 -0.005) 2.376 38.888 ( -0.805 -0.534 -0.128) 0.975 61.878 ( -0.655 0.141 0.099) 0.677 62.703 ( 4.535 -27.302 -1.142) 27.700 ======================= Grid point 198 (98/252) ======================= q-point: (-0.50 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.265 ( 0.156 1.661 -0.443) 1.726 2.733 ( 2.190 -14.003 -2.522) 14.395 2.973 ( -1.485 -4.602 -2.213) 5.318 3.093 ( -2.275 -4.190 -0.156) 4.770 3.658 ( -1.216 0.714 2.202) 2.614 3.906 ( 2.248 -8.955 1.297) 9.324 4.307 ( 3.460 9.734 -2.874) 10.722 4.381 ( -3.162 7.988 -0.902) 8.638 4.892 ( 0.698 2.777 -3.652) 4.641 5.149 ( -0.456 1.169 5.516) 5.657 5.292 ( 1.118 -4.159 -7.044) 8.256 5.613 ( -0.401 -4.533 3.286) 5.613 6.385 ( -0.636 -1.228 4.481) 4.689 6.569 ( 1.688 -3.969 5.158) 6.724 7.365 ( 0.990 3.370 -1.599) 3.859 7.395 ( -2.010 3.565 0.065) 4.094 7.921 ( -1.301 3.806 -2.763) 4.880 8.313 ( 1.127 -2.632 0.915) 3.006 8.459 ( -0.448 -5.766 -1.203) 5.907 8.776 ( -0.406 -9.883 0.418) 9.900 10.805 ( 0.449 17.399 -0.021) 17.405 11.212 ( -0.171 4.604 -0.220) 4.613 18.002 ( 0.092 1.806 -0.186) 1.818 18.179 ( 0.264 -4.099 0.357) 4.123 19.109 ( 0.210 2.886 -0.270) 2.906 19.184 ( -0.260 0.132 -0.144) 0.325 38.799 ( 0.035 1.974 0.009) 1.975 38.882 ( 0.089 -0.715 -0.093) 0.726 61.867 ( -0.427 0.032 -0.247) 0.494 62.751 ( 0.983 -29.368 -0.474) 29.388 ======================= Grid point 199 (99/252) ======================= q-point: (-0.40 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.284 ( 1.992 1.307 0.566) 2.449 2.707 ( -4.867 -14.873 -0.031) 15.649 2.881 ( -4.645 0.405 -5.249) 7.020 3.104 ( 3.281 -4.943 -3.504) 6.890 3.698 ( 4.229 1.444 2.768) 5.256 3.989 ( 4.831 -8.135 2.435) 9.770 4.379 ( 6.571 9.659 -1.524) 11.781 4.460 ( 9.476 9.135 -1.444) 13.241 4.892 ( 0.607 3.808 -3.671) 5.324 5.156 ( -1.225 3.452 6.192) 7.194 5.279 ( 0.529 -6.760 -7.618) 10.199 5.620 ( -0.104 -4.855 3.157) 5.792 6.407 ( 1.135 -0.565 5.794) 5.931 6.624 ( 1.909 -4.449 4.459) 6.582 7.356 ( -0.043 4.690 0.341) 4.702 7.425 ( 3.292 0.976 -1.807) 3.880 7.915 ( 2.186 4.064 -3.648) 5.883 8.295 ( -3.842 -2.923 1.618) 5.092 8.392 ( -5.576 -5.798 -1.542) 8.191 8.707 ( -6.300 -10.443 0.060) 12.196 10.717 ( -9.365 16.719 0.208) 19.165 11.114 ( -10.006 4.587 -0.310) 11.011 18.002 ( -0.003 1.904 -0.164) 1.911 18.187 ( 0.392 -4.250 0.499) 4.298 19.132 ( 2.242 2.953 -0.210) 3.713 19.197 ( 1.710 0.418 -0.298) 1.785 38.814 ( 1.570 1.739 0.048) 2.343 38.890 ( 0.888 -0.728 -0.054) 1.149 61.861 ( -0.007 1.007 -0.511) 1.129 62.735 ( -2.818 -28.573 0.028) 28.711 ======================= Grid point 200 (100/252) ======================= q-point: (-0.30 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.343 ( 3.616 2.282 1.811) 4.644 2.581 ( -7.202 -4.142 0.819) 8.348 2.792 ( -2.901 0.502 -7.417) 7.980 3.161 ( 4.198 -7.190 -6.231) 10.399 3.814 ( 6.356 3.187 4.146) 8.231 4.083 ( 3.906 -4.876 1.698) 6.474 4.555 ( 10.920 9.974 -0.478) 14.797 4.660 ( 11.626 11.429 -0.065) 16.303 4.886 ( 0.535 4.965 -4.511) 6.730 5.143 ( -2.352 5.744 6.297) 8.842 5.270 ( 1.592 -8.164 -7.401) 11.133 5.633 ( 0.411 -5.352 2.583) 5.957 6.443 ( -0.503 0.365 5.108) 5.146 6.684 ( 3.572 -6.209 3.546) 7.993 7.339 ( -4.479 3.704 0.974) 5.894 7.464 ( 0.663 -1.612 -1.097) 2.060 7.980 ( 5.687 2.836 -3.987) 7.503 8.172 ( -8.978 -0.594 2.281) 9.283 8.284 ( -3.636 -6.801 -1.746) 7.907 8.589 ( -4.592 -10.738 -0.221) 11.681 10.478 ( -15.260 14.661 0.274) 21.163 10.847 ( -17.683 3.880 -0.246) 18.105 18.001 ( -0.057 1.954 -0.182) 1.963 18.197 ( 0.442 -4.522 0.437) 4.564 19.191 ( 4.117 3.002 -0.237) 5.101 19.241 ( 2.889 0.952 -0.382) 3.066 38.855 ( 2.605 1.319 0.093) 2.921 38.919 ( 2.290 -0.683 -0.046) 2.390 61.861 ( 0.111 2.592 -0.600) 2.663 62.636 ( -8.039 -24.479 0.307) 25.768 ======================= Grid point 201 (101/252) ======================= q-point: (-0.20 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.413 ( 1.516 3.266 2.465) 4.364 2.481 ( -2.066 6.275 -0.373) 6.617 2.708 ( -3.446 3.117 -5.929) 7.533 3.206 ( 3.240 -8.830 -8.365) 12.587 3.953 ( 6.484 6.349 3.773) 9.828 4.141 ( 1.858 -2.318 2.606) 3.952 4.714 ( 3.708 13.950 -0.890) 14.462 4.827 ( 5.345 9.875 -4.520) 12.104 4.965 ( 11.584 5.272 -0.007) 12.727 5.124 ( -1.986 6.957 6.974) 10.049 5.287 ( 2.934 -5.720 -7.279) 9.712 5.652 ( 0.793 -5.250 1.068) 5.416 6.410 ( -3.822 1.495 1.663) 4.428 6.766 ( 1.806 -9.302 4.704) 10.579 7.153 ( -13.449 0.651 1.163) 13.515 7.375 ( -12.071 -5.839 1.035) 13.449 8.023 ( -0.087 0.590 -0.651) 0.883 8.111 ( 3.151 3.712 -1.390) 5.063 8.286 ( 4.637 -5.533 -1.616) 7.397 8.583 ( 4.648 -8.338 0.145) 9.547 10.179 ( -15.721 10.388 -0.226) 18.844 10.475 ( -20.759 2.334 0.312) 20.893 17.999 ( -0.026 1.940 -0.191) 1.949 18.206 ( 0.316 -4.835 0.139) 4.847 19.280 ( 5.125 2.484 -0.350) 5.706 19.296 ( 2.864 1.582 -0.414) 3.298 38.905 ( 2.472 1.193 0.086) 2.746 38.978 ( 3.861 -1.099 -0.033) 4.015 61.861 ( 0.187 3.971 -0.483) 4.004 62.437 ( -12.744 -16.712 0.465) 21.022 ======================= Grid point 202 (102/252) ======================= q-point: (-0.10 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.394 ( -1.658 9.521 1.120) 9.729 2.514 ( 2.882 9.072 -0.084) 9.519 2.628 ( -2.945 6.200 -3.399) 7.659 3.225 ( 2.194 -9.488 -9.452) 13.571 4.056 ( 2.909 7.956 0.892) 8.518 4.195 ( 2.432 0.279 5.424) 5.951 4.679 ( -3.323 16.637 -5.132) 17.725 4.931 ( 5.614 3.226 -1.408) 6.626 5.112 ( -0.958 7.720 4.709) 9.094 5.204 ( 11.045 7.674 2.054) 13.605 5.323 ( 2.944 -0.841 -5.298) 6.119 5.656 ( -0.767 -4.555 -2.043) 5.050 6.329 ( -4.448 2.820 -0.942) 5.350 6.726 ( -5.668 -5.119 2.966) 8.193 6.936 ( -12.688 -7.113 2.963) 14.844 7.121 ( -9.114 -7.601 3.417) 12.350 8.030 ( 0.135 0.572 -0.636) 0.866 8.166 ( 2.593 3.501 -0.640) 4.403 8.441 ( 11.219 -2.386 -0.606) 11.486 8.721 ( 7.463 -5.325 -0.253) 9.171 9.903 ( -12.623 4.964 -2.604) 13.812 10.126 ( -14.731 -0.420 2.375) 14.927 17.999 ( 0.047 1.817 -0.142) 1.823 18.208 ( -0.005 -5.015 -0.342) 5.026 19.338 ( 1.650 2.148 -0.503) 2.755 19.369 ( 4.049 1.272 -0.407) 4.264 38.945 ( 1.590 1.358 0.070) 2.092 39.049 ( 3.215 -1.975 -0.042) 3.773 61.870 ( 0.979 4.396 -0.157) 4.506 62.194 ( -11.794 -7.140 0.470) 13.795 ======================= Grid point 203 (103/252) ======================= q-point: ( 0.00 0.46 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.545 ( 0.308 5.329 0.797) 5.397 2.604 ( 1.178 -1.043 0.279) 1.598 2.828 ( 1.082 12.281 -2.561) 12.592 3.041 ( 1.431 -10.087 -5.326) 11.496 4.194 ( 0.516 4.588 1.027) 4.729 4.253 ( 0.004 -1.086 2.987) 3.179 4.873 ( -2.999 12.154 -10.904) 16.601 5.038 ( 0.188 -3.105 -7.800) 8.397 5.129 ( 1.669 2.598 -0.147) 3.091 5.265 ( 1.122 -8.686 -0.305) 8.764 5.548 ( 0.530 6.965 5.127) 8.665 5.599 ( -0.564 1.748 2.595) 3.179 6.385 ( -0.550 7.645 0.036) 7.665 6.559 ( -0.596 -9.797 0.607) 9.834 6.731 ( -1.817 4.645 3.370) 6.019 6.859 ( -1.767 -8.722 3.885) 9.710 8.094 ( 0.725 4.070 0.395) 4.153 8.177 ( 0.217 -3.639 0.042) 3.646 8.631 ( 1.600 4.298 0.187) 4.590 8.723 ( 1.073 -4.524 -0.090) 4.650 9.811 ( -0.817 4.345 -1.708) 4.739 9.906 ( -0.478 -5.152 0.994) 5.269 18.045 ( -0.063 3.025 -0.418) 3.054 18.115 ( -0.185 -4.163 -0.612) 4.212 19.389 ( -0.073 1.615 -0.460) 1.681 19.411 ( 0.291 -0.669 -0.278) 0.781 38.994 ( 0.009 1.989 0.028) 1.989 39.036 ( 0.053 -2.341 -0.009) 2.341 61.960 ( 0.001 3.351 0.131) 3.353 62.017 ( -0.369 -2.555 0.040) 2.582 ======================= Grid point 204 (104/252) ======================= q-point: ( 0.10 0.46 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.532 ( -2.101 5.340 0.987) 5.823 2.602 ( -1.805 -1.846 1.275) 2.880 2.859 ( 3.116 10.934 -2.291) 11.598 3.051 ( 1.488 -8.946 -5.213) 10.460 4.162 ( -5.331 5.680 1.122) 7.870 4.217 ( -4.365 -0.153 3.649) 5.691 4.810 ( 0.918 8.253 -11.716) 14.360 4.983 ( -1.299 -8.044 -10.980) 13.673 5.136 ( -2.198 4.950 1.839) 5.720 5.236 ( -5.304 -4.794 1.941) 7.408 5.522 ( -4.625 6.145 5.746) 9.601 5.567 ( -2.978 1.633 2.331) 4.119 6.394 ( 0.665 6.893 0.188) 6.927 6.558 ( -0.000 -9.115 1.227) 9.197 6.871 ( 13.703 2.154 1.794) 13.987 6.957 ( 11.760 -5.995 1.480) 13.282 8.094 ( -1.191 3.086 0.317) 3.323 8.163 ( -1.622 -3.180 -0.005) 3.570 8.528 ( -9.902 5.069 1.140) 11.182 8.641 ( -8.774 -5.991 0.956) 10.667 9.965 ( 15.889 6.398 -1.769) 17.220 10.081 ( 16.938 -5.357 0.434) 17.770 18.042 ( -0.058 2.852 -0.477) 2.892 18.108 ( -0.211 -3.958 -0.718) 4.028 19.363 ( -2.392 1.894 -0.530) 3.097 19.390 ( -2.335 -0.855 -0.107) 2.489 38.975 ( -1.888 1.832 0.026) 2.631 39.013 ( -2.375 -2.005 0.024) 3.108 61.963 ( 0.468 4.585 0.063) 4.609 62.057 ( 3.975 -5.172 -0.243) 6.528 ======================= Grid point 205 (105/252) ======================= q-point: ( 0.20 0.46 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.479 ( -3.564 4.839 0.982) 6.090 2.558 ( -2.972 -3.028 1.895) 4.647 2.915 ( 3.161 7.310 -2.314) 8.293 3.055 ( 0.728 -6.913 -5.008) 8.567 4.012 ( -9.608 7.198 0.456) 12.014 4.117 ( -7.652 -3.296 2.415) 8.675 4.813 ( 2.603 4.301 -9.710) 10.934 4.931 ( -1.107 -6.517 -8.728) 10.948 5.051 ( -6.503 3.289 0.751) 7.326 5.073 ( -11.628 2.233 2.137) 12.031 5.448 ( -4.697 5.753 5.905) 9.488 5.530 ( -1.807 -3.025 3.309) 4.834 6.401 ( -0.015 5.725 0.271) 5.732 6.546 ( -1.973 -9.074 1.686) 9.438 7.192 ( 17.600 2.581 0.773) 17.805 7.253 ( 16.109 -3.703 0.165) 16.530 8.049 ( -2.465 3.734 -1.060) 4.598 8.127 ( -1.424 -3.722 -0.620) 4.033 8.363 ( -7.138 3.626 1.892) 8.227 8.474 ( -7.252 -7.142 1.771) 10.332 10.321 ( 20.895 9.372 -1.192) 22.931 10.463 ( 21.712 -5.091 0.057) 22.301 18.040 ( 0.019 2.719 -0.452) 2.757 18.103 ( -0.103 -3.740 -0.610) 3.791 19.302 ( -3.739 2.096 -0.502) 4.316 19.330 ( -3.732 -0.876 0.002) 3.833 38.930 ( -2.699 1.476 0.005) 3.076 38.957 ( -3.174 -1.308 0.017) 3.433 61.975 ( 0.591 6.677 -0.005) 6.703 62.142 ( 4.635 -10.593 -0.552) 11.576 ======================= Grid point 206 (106/252) ======================= q-point: ( 0.30 0.46 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.415 ( -3.396 4.887 0.553) 5.977 2.517 ( -1.817 -5.562 1.315) 5.998 2.949 ( 1.288 3.841 -2.367) 4.692 3.041 ( -0.406 -5.347 -3.764) 6.552 3.840 ( -8.172 5.845 0.440) 10.057 3.959 ( -8.994 -5.947 0.637) 10.802 4.739 ( -10.782 5.066 -1.982) 12.076 4.793 ( -11.377 0.102 0.387) 11.385 4.925 ( 0.154 4.420 -5.100) 6.750 5.008 ( 2.544 -4.974 -6.404) 8.498 5.397 ( -3.023 6.541 5.414) 9.013 5.514 ( -1.510 -5.536 4.336) 7.192 6.398 ( -0.498 4.057 1.390) 4.317 6.503 ( -2.872 -6.652 1.902) 7.491 7.428 ( 4.926 2.828 0.927) 5.755 7.462 ( 5.203 -0.856 0.435) 5.291 8.050 ( 2.775 3.534 -2.700) 5.242 8.138 ( 3.007 -4.685 -1.347) 5.728 8.287 ( -0.184 4.188 2.031) 4.658 8.428 ( 1.710 -9.320 1.562) 9.603 10.698 ( 18.438 11.006 -0.637) 21.482 10.849 ( 18.384 -4.508 -0.110) 18.929 18.040 ( 0.141 2.661 -0.342) 2.687 18.100 ( 0.053 -3.576 -0.357) 3.594 19.229 ( -3.530 2.142 -0.389) 4.147 19.259 ( -3.638 -0.915 -0.028) 3.752 38.881 ( -2.329 1.393 -0.021) 2.714 38.904 ( -2.281 -0.958 -0.041) 2.474 61.979 ( -0.183 8.452 -0.043) 8.454 62.213 ( 3.001 -15.763 -0.647) 16.059 ======================= Grid point 207 (107/252) ======================= q-point: ( 0.40 0.46 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.358 ( -2.552 5.223 -0.902) 5.883 2.495 ( -0.868 -8.932 -0.525) 8.989 2.953 ( 0.210 1.837 -1.868) 2.629 3.021 ( -0.556 -4.879 -1.437) 5.117 3.723 ( -4.295 3.292 1.113) 5.525 3.813 ( -5.877 -5.712 0.242) 8.199 4.527 ( -8.545 6.107 -1.406) 10.597 4.583 ( -9.376 0.255 -0.700) 9.405 4.945 ( 2.552 4.332 -5.762) 7.647 5.046 ( 2.960 -5.902 -4.974) 8.267 5.368 ( -2.022 6.855 4.392) 8.389 5.502 ( -1.488 -6.626 4.722) 8.271 6.396 ( -0.490 2.624 3.251) 4.207 6.468 ( -1.309 -4.510 3.200) 5.682 7.440 ( -1.276 3.382 -0.022) 3.615 7.479 ( -2.006 -0.380 0.536) 2.111 8.055 ( -1.041 5.645 -2.569) 6.288 8.183 ( 1.580 -6.725 -1.675) 7.108 8.382 ( 6.728 4.309 0.913) 8.042 8.524 ( 6.113 -9.450 1.043) 11.303 10.978 ( 10.795 11.317 -0.268) 15.642 11.125 ( 10.401 -3.790 -0.165) 11.071 18.042 ( 0.210 2.657 -0.181) 2.672 18.102 ( 0.169 -3.485 -0.073) 3.490 19.174 ( -2.040 1.964 -0.295) 2.848 19.201 ( -2.252 -0.874 -0.113) 2.418 38.847 ( -1.219 1.626 -0.052) 2.033 38.873 ( -1.002 -1.069 -0.090) 1.468 61.971 ( -0.534 9.629 -0.081) 9.644 62.250 ( 1.283 -19.238 -0.492) 19.287 ======================= Grid point 208 (108/252) ======================= q-point: (-0.50 0.46 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.317 ( -0.939 4.761 -2.095) 5.285 2.473 ( -0.955 -11.455 -2.196) 11.702 2.948 ( -0.282 1.516 -1.616) 2.233 3.009 ( -0.375 -4.221 -0.764) 4.306 3.688 ( 0.229 2.714 1.636) 3.177 3.767 ( 1.074 -5.536 1.354) 5.799 4.447 ( 0.826 4.668 -2.340) 5.287 4.479 ( -0.375 1.665 -1.590) 2.332 4.966 ( 1.783 4.876 -5.408) 7.497 5.075 ( 1.884 -6.207 -4.179) 7.716 5.348 ( -1.743 7.041 3.919) 8.244 5.493 ( -1.276 -7.386 5.078) 9.053 6.406 ( 0.190 2.974 4.514) 5.409 6.483 ( 1.074 -4.621 4.911) 6.828 7.423 ( -0.127 2.286 -0.853) 2.443 7.440 ( -1.345 0.733 -0.160) 1.540 8.027 ( -0.477 7.275 -3.033) 7.897 8.189 ( 0.080 -8.832 -2.137) 9.088 8.458 ( 0.105 4.660 0.867) 4.741 8.593 ( -0.216 -8.684 0.874) 8.731 11.084 ( 0.257 11.160 -0.047) 11.163 11.225 ( 0.066 -3.350 -0.161) 3.355 18.046 ( 0.168 2.709 -0.036) 2.715 18.106 ( 0.216 -3.501 0.149) 3.511 19.154 ( 0.100 1.763 -0.244) 1.783 19.178 ( -0.082 -0.732 -0.198) 0.763 38.835 ( 0.011 1.747 -0.067) 1.749 38.864 ( 0.021 -1.192 -0.104) 1.196 61.964 ( -0.029 10.258 -0.121) 10.258 62.264 ( 0.395 -20.689 -0.245) 20.694 ======================= Grid point 209 (109/252) ======================= q-point: (-0.40 0.46 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.316 ( 1.676 3.396 -1.665) 4.137 2.450 ( -0.494 -10.616 -2.070) 10.827 2.924 ( -1.225 3.606 -3.151) 4.943 3.008 ( 1.103 -4.846 -2.823) 5.716 3.751 ( 5.426 4.000 2.431) 7.166 3.849 ( 6.185 -6.182 2.199) 9.017 4.526 ( 8.205 5.265 -2.296) 10.016 4.566 ( 9.059 1.540 -0.814) 9.225 4.980 ( 1.998 5.113 -5.804) 7.989 5.091 ( 1.691 -6.478 -5.124) 8.431 5.328 ( -2.063 7.890 4.711) 9.418 5.489 ( -1.222 -8.152 5.390) 9.849 6.440 ( 1.482 3.602 5.324) 6.597 6.528 ( 1.535 -5.146 5.076) 7.389 7.424 ( 0.367 2.211 -0.314) 2.263 7.441 ( 1.194 0.262 -1.235) 1.738 8.023 ( 1.387 7.013 -3.627) 8.016 8.174 ( -0.821 -8.189 -2.508) 8.603 8.387 ( -7.509 4.172 1.202) 8.674 8.517 ( -7.420 -8.786 0.879) 11.534 10.988 ( -10.185 10.890 0.097) 14.911 11.127 ( -10.293 -3.318 -0.123) 10.815 18.048 ( 0.074 2.828 0.028) 2.829 18.111 ( 0.217 -3.648 0.248) 3.663 19.176 ( 2.268 1.663 -0.227) 2.822 19.197 ( 2.078 -0.505 -0.268) 2.155 38.847 ( 1.234 1.580 -0.054) 2.006 38.873 ( 1.013 -1.116 -0.095) 1.511 61.969 ( 0.506 10.332 -0.147) 10.345 62.263 ( -0.606 -20.052 -0.036) 20.061 ======================= Grid point 210 (110/252) ======================= q-point: (-0.30 0.46 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.368 ( 4.105 1.889 -0.414) 4.538 2.449 ( 1.171 -6.517 -1.193) 6.728 2.890 ( -0.777 6.873 -4.776) 8.405 3.025 ( 1.857 -6.987 -4.845) 8.703 3.892 ( 7.998 4.662 2.743) 9.655 3.986 ( 6.849 -4.990 1.925) 8.690 4.707 ( 10.550 6.022 -2.321) 12.368 4.774 ( 12.175 0.274 0.334) 12.183 5.006 ( 3.177 6.353 -6.374) 9.544 5.114 ( 3.247 -5.547 -5.938) 8.751 5.308 ( -1.725 8.731 5.811) 10.629 5.487 ( -0.817 -9.128 5.112) 10.494 6.482 ( 0.282 3.512 4.998) 6.115 6.570 ( 1.184 -5.458 4.322) 7.062 7.400 ( -5.051 2.536 -0.002) 5.652 7.437 ( -2.778 -1.421 -0.569) 3.171 8.047 ( 1.906 4.049 -3.537) 5.703 8.137 ( -1.900 -4.970 -2.084) 5.715 8.241 ( -5.550 4.688 0.993) 7.333 8.388 ( -4.003 -9.630 0.571) 10.445 10.720 ( -17.622 9.981 0.183) 20.253 10.851 ( -18.345 -3.409 -0.042) 18.659 18.049 ( 0.007 2.988 -0.015) 2.988 18.115 ( 0.188 -3.891 0.188) 3.900 19.234 ( 3.855 1.472 -0.244) 4.134 19.249 ( 3.439 -0.123 -0.321) 3.456 38.881 ( 2.333 1.287 -0.026) 2.665 38.903 ( 2.240 -0.983 -0.080) 2.448 61.977 ( 0.222 9.565 -0.136) 9.568 62.234 ( -2.669 -17.093 0.101) 17.301 ======================= Grid point 211 (111/252) ======================= q-point: (-0.20 0.46 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.453 ( 4.195 1.552 0.416) 4.493 2.489 ( 3.496 -2.112 -0.755) 4.154 2.859 ( -0.751 9.533 -4.592) 10.608 3.036 ( 1.299 -8.841 -5.704) 10.601 4.050 ( 7.344 3.783 1.919) 8.481 4.104 ( 4.911 -1.981 1.633) 5.541 4.873 ( 8.018 5.311 -3.462) 10.221 4.972 ( 7.247 -3.433 -3.896) 8.915 5.049 ( 3.395 9.789 -4.125) 11.152 5.168 ( 3.390 -1.681 -2.271) 4.413 5.336 ( 3.720 7.981 5.173) 10.212 5.505 ( 1.326 -9.102 3.935) 10.004 6.473 ( -2.534 5.004 3.150) 6.433 6.599 ( -0.199 -7.800 4.013) 8.774 7.192 ( -15.842 3.251 0.939) 16.200 7.272 ( -14.744 -4.834 1.024) 15.550 8.054 ( 0.920 2.762 -1.523) 3.285 8.123 ( 1.282 -3.595 -1.166) 3.991 8.275 ( 8.112 5.622 -1.010) 9.921 8.419 ( 7.025 -8.359 0.044) 10.918 10.356 ( -20.128 7.674 0.071) 21.542 10.464 ( -21.749 -3.274 0.178) 21.995 18.048 ( -0.019 3.118 -0.142) 3.121 18.118 ( 0.105 -4.130 -0.027) 4.131 19.312 ( 4.223 0.896 -0.277) 4.326 19.316 ( 3.504 0.460 -0.376) 3.554 38.930 ( 2.687 1.342 -0.006) 3.003 38.955 ( 3.158 -1.278 -0.057) 3.408 61.973 ( -0.510 7.726 -0.070) 7.743 62.162 ( -4.803 -11.907 0.191) 12.840 ======================= Grid point 212 (112/252) ======================= q-point: (-0.10 0.46 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.516 ( 2.451 3.865 0.465) 4.600 2.560 ( 3.477 -0.831 -0.303) 3.588 2.833 ( -0.353 11.366 -3.373) 11.862 3.037 ( 1.081 -9.969 -5.633) 11.502 4.156 ( 3.289 3.438 0.425) 4.777 4.197 ( 4.266 -0.764 2.483) 4.995 4.966 ( -0.732 7.823 -9.626) 12.426 4.999 ( 4.050 7.196 -3.174) 8.847 5.105 ( 2.435 -2.739 -3.027) 4.753 5.222 ( 2.824 -4.120 0.377) 5.009 5.463 ( 6.096 7.202 4.508) 10.457 5.563 ( 2.822 -4.119 2.916) 5.782 6.423 ( -3.164 6.927 1.380) 7.739 6.583 ( -2.331 -8.909 2.322) 9.497 6.897 ( -14.459 2.274 2.817) 14.905 6.985 ( -13.089 -6.209 2.805) 14.756 8.074 ( 1.262 3.778 -0.558) 4.022 8.156 ( 1.870 -3.795 -0.406) 4.250 8.477 ( 11.998 5.467 -0.725) 13.205 8.602 ( 10.317 -6.744 -0.404) 12.332 9.999 ( -16.388 4.914 -0.699) 17.123 10.084 ( -16.997 -3.603 0.788) 17.393 18.047 ( -0.038 3.138 -0.295) 3.152 18.118 ( -0.044 -4.240 -0.336) 4.254 19.370 ( 2.184 1.120 -0.390) 2.485 19.381 ( 2.927 0.009 -0.343) 2.947 38.975 ( 1.891 1.746 0.012) 2.574 39.011 ( 2.436 -1.965 -0.037) 3.130 61.962 ( -0.454 5.179 0.042) 5.199 62.069 ( -4.533 -5.952 0.206) 7.485 ======================= Grid point 273 (113/252) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.881 ( -7.526 0.000 20.853) 22.169 1.163 ( 4.861 0.000 27.719) 28.142 1.850 ( 0.969 0.000 43.059) 43.070 2.020 ( 4.852 0.000 -9.959) 11.079 2.504 ( -2.856 0.000 -13.163) 13.469 3.620 ( 1.382 0.000 1.448) 2.002 3.965 ( -1.559 0.000 -22.138) 22.193 4.470 ( 0.472 0.000 0.400) 0.618 5.184 ( 7.757 0.000 -5.631) 9.585 5.185 ( -0.094 0.000 -4.626) 4.627 5.852 ( 1.605 0.000 0.633) 1.725 6.171 ( 25.738 0.000 5.442) 26.308 6.634 ( 0.024 0.000 4.267) 4.267 7.164 ( -20.059 0.000 -0.562) 20.067 7.309 ( -1.463 0.000 -0.533) 1.557 7.558 ( -6.287 0.000 -2.943) 6.942 7.805 ( -12.923 0.000 1.976) 13.073 7.953 ( 0.115 0.000 -0.599) 0.610 8.202 ( 1.909 0.000 2.880) 3.455 8.798 ( -0.425 0.000 -0.475) 0.638 9.025 ( 0.169 0.000 0.244) 0.297 9.989 ( 2.394 0.000 -1.995) 3.117 18.527 ( 7.756 0.000 0.086) 7.756 18.615 ( -0.105 0.000 0.171) 0.200 18.640 ( -0.014 0.000 -0.050) 0.052 19.085 ( -0.035 0.000 -0.044) 0.056 38.915 ( 0.061 0.000 -0.163) 0.174 39.237 ( -0.237 0.000 0.232) 0.332 61.658 ( 2.139 0.000 0.768) 2.273 62.180 ( -29.359 0.000 -0.692) 29.367 ======================= Grid point 274 (114/252) ======================= q-point: ( 0.10 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.341 ( 35.359 0.000 14.197) 38.103 1.450 ( 14.244 0.000 23.648) 27.607 2.076 ( 7.248 0.000 39.036) 39.703 2.328 ( 28.958 0.000 -10.114) 30.673 2.428 ( 0.159 0.000 -13.914) 13.915 3.653 ( -0.199 0.000 -8.264) 8.266 3.922 ( 7.030 0.000 -14.374) 16.001 4.492 ( 1.684 0.000 0.113) 1.688 5.151 ( -1.847 0.000 -4.146) 4.539 5.234 ( 0.430 0.000 -5.437) 5.454 5.787 ( -11.219 0.000 0.355) 11.224 6.130 ( -16.640 0.000 5.808) 17.625 6.673 ( 2.617 0.000 3.776) 4.594 6.969 ( -7.656 0.000 5.280) 9.300 7.356 ( 5.793 0.000 -1.058) 5.889 7.638 ( 11.197 0.000 -2.920) 11.571 7.935 ( -1.927 0.000 -0.530) 1.999 8.030 ( 28.179 0.000 -0.743) 28.189 8.319 ( 10.550 0.000 1.502) 10.657 8.735 ( -5.282 0.000 -0.322) 5.292 9.046 ( 1.420 0.000 0.153) 1.428 9.989 ( 0.171 0.000 -2.639) 2.645 18.436 ( -9.921 0.000 -0.658) 9.943 18.643 ( 0.350 0.000 -0.040) 0.353 18.660 ( -0.011 0.000 1.176) 1.176 19.086 ( 0.203 0.000 -0.024) 0.204 38.888 ( -2.651 0.000 -0.493) 2.697 39.168 ( -6.250 0.000 0.302) 6.258 61.782 ( 16.754 0.000 -3.929) 17.208 62.677 ( 58.265 0.000 -8.691) 58.910 ======================= Grid point 275 (115/252) ======================= q-point: ( 0.20 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.814 ( 15.548 0.000 16.915) 22.975 1.940 ( 18.730 0.000 18.200) 26.117 2.416 ( 3.445 0.000 -11.522) 12.026 2.434 ( 19.073 0.000 16.924) 25.499 2.880 ( 28.572 0.000 -9.635) 30.152 3.609 ( 3.824 0.000 -9.953) 10.663 4.107 ( 13.964 0.000 -5.715) 15.088 4.532 ( 2.555 0.000 -0.464) 2.597 5.089 ( -3.214 0.000 -3.354) 4.645 5.204 ( -0.920 0.000 -2.511) 2.674 5.512 ( -13.158 0.000 1.029) 13.198 5.988 ( -4.774 0.000 5.274) 7.114 6.759 ( 5.202 0.000 2.969) 5.990 6.808 ( -9.557 0.000 3.349) 10.126 7.488 ( 8.062 0.000 -0.949) 8.117 7.687 ( -3.532 0.000 2.031) 4.074 7.869 ( -5.201 0.000 -0.307) 5.211 8.514 ( 17.340 0.000 1.367) 17.394 8.626 ( -5.610 0.000 -0.274) 5.616 8.654 ( 23.419 0.000 -3.879) 23.738 9.065 ( 0.443 0.000 0.141) 0.465 10.021 ( 4.936 0.000 -3.293) 5.933 18.239 ( -9.728 0.000 0.012) 9.728 18.648 ( -1.172 0.000 1.943) 2.269 18.652 ( 0.576 0.000 -0.022) 0.576 19.092 ( 0.365 0.000 0.013) 0.365 38.830 ( -3.010 0.000 -0.038) 3.010 39.046 ( -5.910 0.000 -0.611) 5.942 62.124 ( 18.865 0.000 -4.686) 19.439 63.753 ( 54.007 0.000 -14.976) 56.045 ======================= Grid point 276 (116/252) ======================= q-point: ( 0.30 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.113 ( 10.323 0.000 7.356) 12.675 2.225 ( 6.408 0.000 17.011) 18.178 2.481 ( 6.647 0.000 -4.164) 7.843 2.731 ( 7.316 0.000 -7.035) 10.150 3.255 ( 17.277 0.000 -2.174) 17.413 3.822 ( 16.709 0.000 -1.572) 16.783 4.349 ( 12.470 0.000 -3.499) 12.951 4.580 ( 2.721 0.000 -1.379) 3.051 5.013 ( -3.509 0.000 -2.236) 4.161 5.218 ( 3.276 0.000 -2.845) 4.339 5.350 ( -3.536 0.000 0.028) 3.536 5.909 ( -5.938 0.000 3.815) 7.058 6.656 ( -7.413 0.000 2.193) 7.731 6.890 ( 7.792 0.000 2.091) 8.068 7.573 ( -7.760 0.000 3.267) 8.419 7.643 ( 7.400 0.000 0.456) 7.414 7.731 ( -9.360 0.000 0.058) 9.360 8.539 ( -3.305 0.000 -0.337) 3.322 8.785 ( 10.916 0.000 1.682) 11.045 8.992 ( 13.604 0.000 -2.007) 13.752 9.065 ( -0.437 0.000 0.187) 0.476 10.144 ( 8.334 0.000 -3.146) 8.908 18.088 ( -6.147 0.000 -0.450) 6.163 18.636 ( -0.767 0.000 1.641) 1.811 18.663 ( 0.579 0.000 -0.004) 0.579 19.099 ( 0.388 0.000 0.052) 0.391 38.778 ( -2.631 0.000 0.540) 2.686 38.960 ( -2.555 0.000 -1.007) 2.746 62.416 ( 13.266 0.000 -4.878) 14.134 64.535 ( 33.656 0.000 -7.682) 34.522 ======================= Grid point 277 (117/252) ======================= q-point: ( 0.40 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.232 ( 1.404 0.000 -0.837) 1.635 2.278 ( -5.502 0.000 2.873) 6.207 2.627 ( 7.959 0.000 3.301) 8.616 2.792 ( 5.698 0.000 -3.356) 6.613 3.551 ( 12.577 0.000 1.239) 12.638 4.045 ( 5.839 0.000 0.004) 5.839 4.527 ( 6.883 0.000 -1.011) 6.957 4.615 ( 1.409 0.000 -2.532) 2.898 4.955 ( -1.516 0.000 -0.966) 1.798 5.236 ( 1.218 0.000 -5.560) 5.692 5.431 ( 9.172 0.000 1.309) 9.265 5.785 ( -8.213 0.000 1.950) 8.442 6.554 ( -3.674 0.000 0.689) 3.738 7.063 ( 9.673 0.000 1.331) 9.764 7.429 ( -7.712 0.000 3.298) 8.387 7.528 ( -11.724 0.000 0.513) 11.736 7.778 ( 5.704 0.000 2.706) 6.313 8.498 ( -0.998 0.000 -0.428) 1.086 8.924 ( 3.472 0.000 1.234) 3.685 9.055 ( -0.546 0.000 0.239) 0.596 9.191 ( 8.719 0.000 -1.344) 8.822 10.268 ( 4.781 0.000 -2.119) 5.230 18.001 ( -3.070 0.000 -0.750) 3.160 18.631 ( -0.332 0.000 1.316) 1.357 18.672 ( 0.366 0.000 0.008) 0.366 19.106 ( 0.260 0.000 0.078) 0.272 38.735 ( -1.937 0.000 0.354) 1.969 38.943 ( 0.722 0.000 -0.374) 0.813 62.574 ( 5.203 0.000 -4.994) 7.212 64.998 ( 18.351 0.000 -2.471) 18.517 ======================= Grid point 278 (118/252) ======================= q-point: (-0.50 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.087 ( -13.374 0.000 0.189) 13.376 2.177 ( -6.674 0.000 -0.767) 6.718 2.765 ( 4.889 0.000 3.248) 5.870 2.939 ( 9.589 0.000 -2.793) 9.987 3.695 ( 1.577 0.000 1.318) 2.056 4.056 ( -3.731 0.000 0.531) 3.769 4.592 ( -0.081 0.000 0.728) 0.732 4.609 ( -0.896 0.000 -2.737) 2.880 4.959 ( 2.153 0.000 -0.808) 2.299 5.264 ( 3.429 0.000 -5.055) 6.108 5.590 ( 5.587 0.000 2.019) 5.940 5.621 ( -9.003 0.000 -0.865) 9.045 6.533 ( 1.602 0.000 -0.175) 1.612 7.199 ( -2.453 0.000 0.984) 2.643 7.330 ( -3.735 0.000 4.125) 5.565 7.368 ( 1.360 0.000 0.859) 1.609 7.861 ( 1.630 0.000 3.059) 3.466 8.492 ( 0.407 0.000 -0.500) 0.645 8.946 ( -1.035 0.000 1.021) 1.453 9.050 ( -0.054 0.000 0.262) 0.268 9.317 ( 5.339 0.000 -1.664) 5.593 10.277 ( -3.733 0.000 -1.240) 3.933 17.961 ( -1.055 0.000 -0.665) 1.247 18.633 ( 0.063 0.000 1.142) 1.143 18.676 ( 0.020 0.000 0.009) 0.022 19.109 ( 0.029 0.000 0.082) 0.087 38.717 ( 0.138 0.000 0.210) 0.252 38.972 ( 2.109 0.000 -0.315) 2.133 62.573 ( -3.568 0.000 -4.324) 5.606 65.239 ( 8.603 0.000 -2.088) 8.852 ======================= Grid point 279 (119/252) ======================= q-point: (-0.40 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.826 ( -14.954 0.000 7.964) 16.943 1.981 ( -14.156 0.000 2.360) 14.352 2.827 ( 0.980 0.000 0.677) 1.191 3.076 ( 5.474 0.000 -9.373) 10.855 3.592 ( -14.731 0.000 6.129) 15.956 3.960 ( -4.482 0.000 -2.228) 5.005 4.530 ( -6.514 0.000 0.201) 6.517 4.573 ( -1.884 0.000 -1.745) 2.568 5.018 ( 4.229 0.000 -2.015) 4.684 5.295 ( 0.239 0.000 -4.723) 4.729 5.459 ( -6.571 0.000 -2.560) 7.052 5.651 ( 0.381 0.000 5.480) 5.493 6.615 ( 7.208 0.000 -0.537) 7.228 7.025 ( -11.119 0.000 1.801) 11.264 7.329 ( 1.899 0.000 5.319) 5.647 7.540 ( 11.124 0.000 0.380) 11.130 7.856 ( -2.945 0.000 1.401) 3.261 8.510 ( 1.735 0.000 -0.541) 1.818 8.896 ( -4.975 0.000 1.393) 5.167 9.055 ( 0.424 0.000 0.245) 0.490 9.387 ( 3.293 0.000 -3.478) 4.790 10.113 ( -13.169 0.000 -0.046) 13.169 17.953 ( 0.365 0.000 -0.133) 0.389 18.641 ( 0.362 0.000 1.122) 1.179 18.673 ( -0.331 0.000 -0.000) 0.331 19.108 ( -0.215 0.000 0.062) 0.224 38.744 ( 2.575 0.000 0.284) 2.590 39.013 ( 2.530 0.000 -1.248) 2.821 62.416 ( -11.331 0.000 -2.967) 11.713 65.316 ( 1.066 0.000 -6.571) 6.657 ======================= Grid point 280 (120/252) ======================= q-point: (-0.30 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.605 ( -13.168 0.000 19.031) 23.142 1.678 ( -19.220 0.000 7.299) 20.559 2.811 ( -2.214 0.000 -2.688) 3.483 3.005 ( -10.086 0.000 -13.161) 16.581 3.188 ( -30.629 0.000 11.736) 32.800 3.912 ( 1.500 0.000 -9.150) 9.272 4.356 ( -11.322 0.000 -0.805) 11.351 4.531 ( -2.000 0.000 -0.705) 2.121 5.092 ( 4.417 0.000 -3.362) 5.551 5.195 ( -8.660 0.000 -1.085) 8.728 5.395 ( 0.313 0.000 -0.420) 0.523 5.688 ( 1.919 0.000 5.938) 6.240 6.792 ( 11.527 0.000 -1.070) 11.577 6.841 ( -8.995 0.000 2.752) 9.407 7.431 ( 6.272 0.000 5.966) 8.657 7.735 ( 9.033 0.000 0.014) 9.033 7.768 ( -6.267 0.000 -0.856) 6.325 8.558 ( 3.771 0.000 -0.538) 3.809 8.750 ( -11.697 0.000 1.986) 11.864 9.063 ( 0.280 0.000 0.208) 0.349 9.406 ( -0.456 0.000 -10.295) 10.305 9.824 ( -15.512 0.000 4.582) 16.175 17.975 ( 1.942 0.000 1.285) 2.328 18.653 ( 0.367 0.000 1.218) 1.272 18.664 ( -0.560 0.000 -0.017) 0.560 19.102 ( -0.376 0.000 0.025) 0.377 38.809 ( 3.894 0.000 0.251) 3.902 39.058 ( 3.018 0.000 -2.477) 3.904 62.145 ( -15.894 0.000 -1.643) 15.979 65.208 ( -9.257 0.000 -17.403) 19.712 ======================= Grid point 281 (121/252) ======================= q-point: (-0.20 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.344 ( -19.174 0.000 14.839) 24.246 1.475 ( -9.960 0.000 28.576) 30.262 2.521 ( -41.122 0.000 15.147) 43.823 2.657 ( -23.174 0.000 -10.467) 25.429 2.732 ( -4.163 0.000 -6.532) 7.746 3.881 ( -3.419 0.000 -14.764) 15.155 4.151 ( -7.186 0.000 -3.142) 7.842 4.495 ( -1.653 0.000 -0.002) 1.653 5.041 ( -6.177 0.000 2.697) 6.740 5.153 ( 3.402 0.000 -4.303) 5.486 5.459 ( 5.548 0.000 5.570) 7.862 5.758 ( 3.278 0.000 4.071) 5.227 6.712 ( -5.919 0.000 3.670) 6.964 7.027 ( 13.431 0.000 -1.727) 13.542 7.549 ( -0.166 0.000 3.421) 3.425 7.643 ( -3.319 0.000 -0.987) 3.463 7.869 ( 5.238 0.000 -0.303) 5.247 8.475 ( -17.026 0.000 2.325) 17.184 8.647 ( 5.643 0.000 -0.505) 5.666 9.062 ( -0.621 0.000 0.188) 0.649 9.159 ( -20.204 0.000 -19.750) 28.254 9.729 ( 2.769 0.000 8.994) 9.411 18.048 ( 5.328 0.000 4.382) 6.899 18.653 ( -0.578 0.000 -0.036) 0.579 18.660 ( -0.211 0.000 1.297) 1.314 19.094 ( -0.392 0.000 -0.014) 0.392 38.875 ( 2.659 0.000 -0.549) 2.715 39.116 ( 4.126 0.000 -2.237) 4.693 61.842 ( -14.522 0.000 -1.055) 14.561 64.755 ( -32.393 0.000 -35.996) 48.425 ======================= Grid point 282 (122/252) ======================= q-point: (-0.10 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( -10.313 0.000 24.094) 26.209 1.316 ( -25.173 0.000 22.695) 33.893 1.871 ( -26.075 0.000 34.300) 43.086 2.203 ( -17.947 0.000 -11.387) 21.254 2.618 ( -4.451 0.000 -10.338) 11.256 3.694 ( -8.855 0.000 -3.710) 9.601 4.063 ( -1.013 0.000 -16.162) 16.193 4.472 ( -0.766 0.000 0.365) 0.848 5.034 ( 5.357 0.000 1.172) 5.484 5.186 ( 1.749 0.000 -4.714) 5.028 5.658 ( 13.242 0.000 11.449) 17.505 5.837 ( 4.033 0.000 4.348) 5.930 6.644 ( -2.799 0.000 4.242) 5.082 7.257 ( 10.038 0.000 -2.077) 10.251 7.411 ( -9.440 0.000 -0.889) 9.481 7.622 ( -3.705 0.000 -2.001) 4.210 7.935 ( 2.133 0.000 -0.521) 2.196 8.227 ( -7.636 0.000 2.598) 8.066 8.543 ( -38.505 0.000 -18.742) 42.824 8.751 ( 4.893 0.000 -0.502) 4.919 9.041 ( -1.466 0.000 0.221) 1.482 9.878 ( 8.273 0.000 3.471) 8.972 18.241 ( 13.689 0.000 6.886) 15.323 18.644 ( -0.370 0.000 -0.048) 0.373 18.649 ( -1.515 0.000 0.973) 1.800 19.088 ( -0.262 0.000 -0.040) 0.265 38.903 ( 0.982 0.000 -0.815) 1.276 39.192 ( 3.993 0.000 -0.368) 4.010 61.642 ( -5.004 0.000 -0.570) 5.036 63.584 ( -77.238 0.000 -41.953) 87.897 ======================= Grid point 283 (123/252) ======================= q-point: ( 0.00 0.08 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.045 ( -7.882 15.639 16.451) 24.028 1.237 ( 2.437 7.801 27.457) 28.648 2.053 ( 7.182 6.189 -7.183) 11.895 2.125 ( -0.058 22.926 30.473) 38.134 2.679 ( -2.242 16.312 -13.122) 21.055 3.660 ( 0.540 4.157 1.318) 4.394 3.962 ( -1.962 0.470 -19.481) 19.585 4.469 ( 0.652 0.277 0.474) 0.852 5.177 ( 0.710 -0.032 -4.134) 4.195 5.253 ( 5.497 5.409 -5.398) 9.414 5.754 ( 12.364 -18.487 10.577) 24.627 5.906 ( 9.884 -13.452 7.136) 18.154 6.323 ( -16.390 -6.816 -1.000) 17.779 7.274 ( -0.330 -2.871 -0.887) 3.023 7.423 ( -1.568 -15.755 1.923) 15.949 7.614 ( 4.882 0.574 -3.166) 5.847 7.854 ( -17.747 24.340 -9.149) 31.482 8.150 ( -0.789 10.610 0.767) 10.667 8.256 ( 1.437 9.780 0.110) 9.886 8.747 ( -0.870 -3.736 -0.509) 3.870 9.036 ( -0.765 1.638 -0.732) 1.951 10.041 ( 3.046 4.448 -0.732) 5.441 18.328 ( 4.750 -11.096 5.744) 13.367 18.551 ( -2.816 -3.929 -1.680) 5.117 18.859 ( 2.500 11.158 -5.036) 12.495 19.153 ( 1.391 5.880 -0.267) 6.049 38.915 ( -0.027 0.050 -0.129) 0.141 39.229 ( -0.187 -0.802 0.204) 0.848 61.669 ( 2.015 1.153 0.742) 2.437 62.159 ( -22.173 -1.808 0.227) 22.248 ======================= Grid point 284 (124/252) ======================= q-point: ( 0.10 0.08 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.398 ( 27.597 5.150 15.664) 32.148 1.490 ( 15.187 5.794 23.729) 28.763 2.268 ( 7.160 15.415 15.037) 22.694 2.375 ( 24.195 7.142 -3.698) 25.496 2.637 ( 2.947 19.528 -6.006) 20.642 3.672 ( -0.654 2.143 -7.039) 7.387 3.912 ( 5.240 0.003 -12.039) 13.130 4.488 ( 1.121 0.045 0.317) 1.166 5.151 ( -1.614 0.217 -3.828) 4.160 5.288 ( 0.543 4.451 -4.742) 6.527 5.758 ( -16.066 -5.645 2.711) 17.243 5.860 ( -4.258 -18.434 8.181) 20.613 6.487 ( 18.646 -7.202 0.269) 19.990 7.175 ( -12.274 -3.249 0.052) 12.697 7.320 ( -1.379 1.946 0.503) 2.437 7.650 ( 0.308 0.950 -1.061) 1.457 7.832 ( 11.381 -1.855 0.416) 11.538 8.290 ( 14.085 18.072 -3.754) 23.218 8.378 ( 8.868 4.944 0.820) 10.186 8.688 ( -2.355 -3.922 -1.366) 4.774 9.043 ( 0.722 0.489 0.089) 0.876 10.052 ( 0.070 5.584 -1.611) 5.812 18.336 ( -5.798 -8.725 2.779) 10.838 18.508 ( -0.062 -4.806 -0.304) 4.816 18.842 ( -2.019 8.982 -2.676) 9.587 19.151 ( -1.152 5.650 -0.127) 5.767 38.888 ( -2.573 0.062 -0.347) 2.597 39.162 ( -6.197 -0.623 0.318) 6.236 61.775 ( 14.607 -0.623 -3.179) 14.961 62.622 ( 52.454 -5.108 -5.553) 52.993 ======================= Grid point 285 (125/252) ======================= q-point: ( 0.20 0.08 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.812 ( 14.639 -0.399 23.259) 27.486 2.006 ( 22.372 5.505 12.836) 26.374 2.399 ( 5.686 8.742 -6.796) 12.447 2.717 ( 10.846 15.068 -0.627) 18.576 2.930 ( 26.021 8.082 -2.060) 27.325 3.633 ( 3.402 2.780 -9.236) 10.227 4.065 ( 12.095 -3.619 -3.142) 13.010 4.508 ( 0.903 -1.634 -0.383) 1.905 5.093 ( -3.216 0.310 -3.139) 4.504 5.268 ( -0.407 5.505 -1.885) 5.833 5.488 ( -10.883 -3.218 1.549) 11.454 5.844 ( -1.712 -10.564 3.448) 11.243 6.674 ( 1.771 -6.239 1.167) 6.590 6.988 ( -5.956 10.747 2.055) 12.458 7.344 ( 2.516 -9.352 0.236) 9.688 7.637 ( -2.354 -3.428 1.243) 4.340 7.987 ( 1.738 6.468 0.535) 6.718 8.446 ( 3.002 -6.099 1.373) 6.935 8.572 ( 9.834 0.115 0.584) 9.852 8.822 ( 17.444 9.753 -5.747) 20.795 9.047 ( -0.287 -0.499 0.350) 0.673 10.081 ( 4.426 5.806 -2.045) 7.582 18.197 ( -7.895 -3.906 0.503) 8.823 18.523 ( 0.801 -5.736 1.120) 5.898 18.795 ( -1.963 7.425 -0.447) 7.693 19.130 ( -0.879 3.574 0.174) 3.685 38.832 ( -2.943 0.262 -0.001) 2.954 39.039 ( -6.027 -0.639 -0.374) 6.073 62.086 ( 17.539 -3.673 -4.224) 18.411 63.631 ( 51.517 -11.933 -11.503) 54.118 ======================= Grid point 286 (126/252) ======================= q-point: ( 0.30 0.08 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.135 ( 10.375 -1.993 18.325) 21.152 2.310 ( 6.297 12.766 5.384) 15.219 2.516 ( 11.269 2.749 -6.183) 13.145 2.839 ( 2.389 9.894 -8.075) 12.993 3.312 ( 15.606 6.467 -0.376) 16.897 3.812 ( 14.543 -1.082 -1.747) 14.688 4.302 ( 12.891 -4.834 -1.010) 13.804 4.517 ( 0.336 -4.515 -1.017) 4.640 5.017 ( -3.498 0.072 -2.351) 4.216 5.293 ( 3.769 6.057 -1.368) 7.264 5.349 ( -3.912 -0.332 -1.517) 4.209 5.805 ( -3.686 -8.703 2.517) 9.781 6.626 ( -5.031 -3.123 1.494) 6.107 6.970 ( 1.920 5.859 2.509) 6.657 7.397 ( 2.320 -13.443 0.868) 13.669 7.574 ( -4.917 0.388 2.229) 5.412 7.905 ( -7.556 6.765 0.313) 10.147 8.491 ( 1.067 -3.923 0.686) 4.123 8.768 ( 9.590 -1.834 1.185) 9.836 9.049 ( 0.812 -0.829 0.095) 1.164 9.106 ( 12.628 9.970 -3.035) 16.373 10.200 ( 8.143 5.821 -2.159) 10.240 18.071 ( -5.322 -1.629 -0.384) 5.579 18.539 ( 0.428 -5.391 1.178) 5.535 18.768 ( -0.888 6.109 0.101) 6.174 19.120 ( -0.325 1.988 0.105) 2.017 38.781 ( -2.687 0.259 0.499) 2.745 38.953 ( -2.595 -0.700 -0.779) 2.799 62.359 ( 12.437 -5.616 -4.459) 14.356 64.394 ( 32.934 -14.110 -6.401) 36.397 ======================= Grid point 287 (127/252) ======================= q-point: ( 0.40 0.08 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.237 ( -3.885 -2.187 2.652) 5.187 2.403 ( 2.733 15.549 0.694) 15.803 2.725 ( 9.785 6.666 2.702) 12.144 2.834 ( 2.909 5.875 -4.264) 7.821 3.553 ( 9.596 0.655 0.752) 9.647 4.011 ( 5.330 -3.745 0.126) 6.516 4.506 ( 5.896 -1.668 0.241) 6.132 4.521 ( 2.878 -8.676 -1.500) 9.263 4.949 ( -2.757 -0.687 -2.441) 3.746 5.287 ( -0.019 2.920 -4.623) 5.468 5.433 ( 8.634 0.873 0.553) 8.695 5.719 ( -6.243 -6.031 1.494) 8.808 6.552 ( -2.605 -0.100 0.818) 2.732 7.041 ( 4.010 -2.667 2.399) 5.380 7.408 ( -2.080 -8.411 1.129) 8.738 7.468 ( -6.669 2.298 1.988) 7.328 7.803 ( -2.376 1.039 1.895) 3.212 8.494 ( -0.432 -0.689 0.045) 0.815 8.900 ( 3.807 -2.394 1.076) 4.623 9.078 ( 1.700 1.667 -0.077) 2.383 9.282 ( 7.579 9.394 -1.677) 12.186 10.328 ( 4.985 6.225 -1.560) 8.126 17.994 ( -2.723 -0.606 -0.712) 2.879 18.548 ( 0.220 -5.047 1.044) 5.159 18.759 ( -0.263 5.376 0.170) 5.385 19.117 ( -0.090 1.065 0.064) 1.070 38.736 ( -1.973 0.144 0.345) 2.008 38.936 ( 0.627 -0.752 -0.287) 1.021 62.508 ( 4.878 -6.618 -4.568) 9.406 64.850 ( 17.891 -15.029 -2.195) 23.469 ======================= Grid point 288 (128/252) ======================= q-point: (-0.50 0.08 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.089 ( -11.053 1.008 0.786) 11.127 2.351 ( -7.468 16.395 -1.118) 18.051 2.881 ( 5.637 10.450 2.982) 12.242 2.951 ( 8.942 1.794 -2.591) 9.481 3.658 ( 0.643 -3.556 1.407) 3.878 4.020 ( -3.633 -3.897 0.612) 5.363 4.512 ( -0.722 -6.453 0.644) 6.525 4.611 ( 2.088 -1.559 -1.922) 3.238 4.907 ( -0.257 -4.032 -2.122) 4.564 5.295 ( 2.242 1.747 -4.388) 5.228 5.566 ( -1.989 -3.321 0.711) 3.936 5.608 ( 0.568 -0.117 0.214) 0.618 6.546 ( 1.868 1.472 0.028) 2.378 7.093 ( -1.242 -8.082 2.603) 8.581 7.343 ( -2.254 -1.107 1.134) 2.755 7.394 ( -1.860 1.836 2.194) 3.412 7.814 ( 1.676 -3.510 2.453) 4.599 8.492 ( 0.528 -0.160 -0.193) 0.584 8.931 ( -0.688 -1.938 1.145) 2.354 9.091 ( -0.313 3.273 -0.200) 3.294 9.391 ( 4.646 8.004 -1.811) 9.431 10.344 ( -3.332 6.958 -0.844) 7.761 17.959 ( -0.941 -0.191 -0.639) 1.154 18.556 ( 0.207 -4.826 0.920) 4.917 18.757 ( -0.039 5.131 0.169) 5.134 19.116 ( -0.057 0.669 0.058) 0.674 38.718 ( 0.147 0.131 0.219) 0.294 38.961 ( 1.868 -1.049 -0.258) 2.158 62.507 ( -3.299 -6.559 -3.962) 8.343 65.080 ( 7.850 -16.076 -1.938) 17.995 ======================= Grid point 289 (129/252) ======================= q-point: (-0.40 0.08 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.864 ( -13.646 3.981 6.858) 15.783 2.147 ( -13.780 15.724 2.687) 21.080 2.953 ( 1.474 11.965 0.010) 12.055 3.079 ( 4.858 0.669 -8.650) 9.943 3.568 ( -12.185 -2.129 5.641) 13.595 3.921 ( -5.148 -4.034 -1.162) 6.643 4.468 ( -5.254 -5.638 1.887) 7.934 4.591 ( -1.893 1.280 -4.404) 4.962 4.934 ( 3.495 -7.530 -1.438) 8.425 5.318 ( 0.885 0.965 -3.059) 3.327 5.438 ( -6.453 -1.535 -1.886) 6.896 5.665 ( 0.782 1.099 2.996) 3.285 6.621 ( 5.969 0.646 -0.649) 6.039 7.021 ( -5.345 -1.111 2.516) 6.011 7.348 ( 0.611 2.104 4.347) 4.868 7.422 ( 3.740 -9.771 0.737) 10.488 7.868 ( 3.520 -0.092 1.029) 3.668 8.511 ( 1.300 -0.045 -0.264) 1.327 8.883 ( -5.066 -1.873 1.519) 5.611 9.070 ( -1.634 1.358 -0.174) 2.132 9.445 ( 2.085 6.154 -3.713) 7.483 10.193 ( -12.248 8.175 0.373) 14.731 17.952 ( 0.328 -0.121 -0.159) 0.384 18.563 ( 0.278 -4.650 0.819) 4.729 18.758 ( 0.068 5.268 0.178) 5.272 19.115 ( -0.082 0.719 0.077) 0.728 38.745 ( 2.567 0.136 0.273) 2.585 38.997 ( 2.191 -1.546 -1.054) 2.882 62.362 ( -10.489 -5.383 -2.724) 12.100 65.137 ( -0.552 -17.955 -5.856) 18.894 ======================= Grid point 290 (130/252) ======================= q-point: (-0.30 0.08 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.632 ( -15.069 5.079 12.929) 20.495 1.889 ( -14.766 17.507 10.759) 25.304 2.932 ( -4.151 11.085 -4.406) 12.630 3.013 ( -7.623 0.859 -11.890) 14.150 3.222 ( -27.228 4.251 10.534) 29.502 3.872 ( 1.316 -3.840 -6.632) 7.775 4.319 ( -10.468 -3.724 1.307) 11.187 4.538 ( -1.863 1.256 -4.326) 4.874 5.010 ( 4.493 -7.058 -1.085) 8.437 5.281 ( -4.989 4.892 0.500) 7.005 5.338 ( -2.764 -3.612 -0.593) 4.587 5.685 ( 1.379 -0.104 2.628) 2.970 6.749 ( 6.878 -3.643 -1.337) 7.897 6.953 ( -1.938 8.727 2.074) 9.177 7.397 ( 2.632 -4.225 4.253) 6.547 7.498 ( 3.615 -10.175 1.296) 10.875 7.955 ( 5.027 6.550 -0.248) 8.260 8.531 ( 0.982 -2.551 -0.101) 2.736 8.738 ( -11.225 -1.840 2.075) 11.563 9.040 ( -1.329 -1.825 -0.305) 2.278 9.430 ( -2.219 3.062 -9.551) 10.272 9.930 ( -14.101 10.303 4.257) 17.975 17.971 ( 1.706 -0.380 1.092) 2.061 18.572 ( 0.356 -4.356 0.660) 4.420 18.761 ( 0.282 5.853 0.172) 5.863 19.114 ( -0.050 1.170 0.155) 1.181 38.809 ( 3.787 0.036 0.232) 3.794 39.037 ( 2.801 -1.959 -2.020) 3.970 62.111 ( -14.677 -3.311 -1.513) 15.122 64.990 ( -12.615 -21.524 -14.739) 28.977 ======================= Grid point 291 (131/252) ======================= q-point: (-0.20 0.08 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( -16.070 6.550 16.471) 23.926 1.707 ( -11.069 18.496 21.094) 30.159 2.618 ( -34.097 10.842 11.420) 37.558 2.648 ( -23.192 -0.069 -8.395) 24.665 2.897 ( -4.309 14.583 -7.606) 17.002 3.853 ( -2.589 -2.272 -10.273) 10.835 4.140 ( -6.243 -0.701 -2.384) 6.719 4.493 ( -1.518 0.470 -2.872) 3.282 5.072 ( 1.243 -1.297 1.739) 2.500 5.183 ( -2.584 5.756 -0.896) 6.372 5.342 ( 1.886 -9.809 5.773) 11.537 5.741 ( 3.434 -1.173 1.067) 3.783 6.780 ( -3.908 -0.594 0.393) 3.973 7.023 ( 8.779 3.751 -1.294) 9.634 7.446 ( 0.768 -7.080 0.979) 7.188 7.577 ( 4.170 -3.530 2.286) 5.922 8.003 ( -1.336 7.563 0.066) 7.680 8.488 ( -13.064 1.130 1.736) 13.228 8.579 ( 3.460 -6.894 0.495) 7.730 8.985 ( -6.655 -4.926 -4.029) 9.208 9.248 ( -10.600 6.787 -14.602) 19.278 9.807 ( -0.345 7.856 8.778) 11.785 18.032 ( 4.240 -1.421 3.690) 5.797 18.581 ( 0.434 -3.883 0.252) 3.915 18.772 ( 0.910 7.449 -0.129) 7.506 19.115 ( 0.137 1.993 0.371) 2.032 38.872 ( 2.501 -0.241 -0.457) 2.554 39.097 ( 4.341 -1.734 -1.601) 4.941 61.833 ( -13.323 -0.897 -0.964) 13.388 64.476 ( -36.857 -26.311 -27.766) 53.119 ======================= Grid point 292 (132/252) ======================= q-point: (-0.10 0.08 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.200 ( -9.376 9.066 22.754) 26.227 1.474 ( -27.308 13.077 17.761) 35.102 2.089 ( -18.272 19.963 24.827) 36.726 2.238 ( -16.116 5.567 -6.945) 18.411 2.786 ( -3.899 15.435 -11.655) 19.730 3.717 ( -6.481 2.600 -2.435) 7.395 4.058 ( -1.401 0.105 -13.868) 13.939 4.466 ( -0.497 0.045 -0.649) 0.819 5.112 ( 4.699 5.593 0.935) 7.364 5.188 ( 2.257 1.236 -3.789) 4.581 5.455 ( 7.413 -16.544 13.809) 22.790 5.810 ( 3.326 -2.023 1.047) 4.031 6.632 ( -12.256 -3.761 -0.333) 12.825 7.197 ( 8.811 -7.647 -1.511) 11.764 7.430 ( -1.969 2.325 -0.192) 3.052 7.619 ( -1.259 -0.069 -0.770) 1.477 7.962 ( 0.587 0.154 -0.680) 0.911 8.287 ( -8.273 5.709 2.001) 10.249 8.591 ( -22.616 2.247 -11.069) 25.279 8.707 ( 1.467 -1.407 -4.384) 4.833 9.089 ( -3.820 5.264 -3.251) 7.271 9.922 ( 7.619 4.213 4.638) 9.865 18.168 ( 8.031 -5.413 6.384) 11.599 18.585 ( -0.328 -3.831 -0.622) 3.895 18.804 ( 3.181 10.939 -1.995) 11.565 19.125 ( 0.897 3.432 0.663) 3.609 38.902 ( 1.190 -0.095 -0.584) 1.329 39.181 ( 4.315 -1.058 -0.126) 4.444 61.651 ( -4.386 0.954 -0.485) 4.515 63.331 ( -71.452 -22.019 -27.350) 79.613 ======================= Grid point 293 (133/252) ======================= q-point: ( 0.00 0.15 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.419 ( -8.261 21.576 9.431) 24.954 1.463 ( 1.200 15.207 20.411) 25.482 2.175 ( 5.959 7.464 -8.505) 12.789 2.670 ( 0.394 27.988 13.556) 31.101 3.037 ( 0.405 18.940 -10.407) 21.615 3.778 ( -1.563 7.753 0.653) 7.936 4.040 ( -2.400 9.485 -10.974) 14.702 4.503 ( 0.691 3.850 2.789) 4.804 5.154 ( 0.417 -4.391 -0.468) 4.435 5.283 ( 3.048 -9.666 6.223) 11.894 5.427 ( 10.785 0.098 0.537) 10.799 5.788 ( 0.648 -4.994 -0.496) 5.061 6.223 ( -6.886 -5.284 -3.470) 9.348 7.084 ( -4.775 -15.976 1.766) 16.768 7.193 ( -0.933 -5.440 -0.891) 5.591 7.656 ( 2.099 2.289 -1.687) 3.534 7.945 ( -7.028 -3.638 0.147) 7.915 8.252 ( 5.148 -1.577 0.545) 5.411 8.597 ( 0.993 13.939 -3.780) 14.477 8.727 ( -3.267 2.229 -1.381) 4.189 9.127 ( -2.587 9.048 -6.288) 11.318 10.123 ( 3.453 3.491 2.210) 5.384 18.154 ( 2.328 -7.048 4.943) 8.917 18.465 ( -1.969 -4.745 -2.208) 5.592 19.040 ( 0.207 7.863 -4.176) 8.906 19.266 ( 2.500 5.166 -0.866) 5.804 38.917 ( -0.143 0.210 -0.058) 0.261 39.207 ( -0.084 -1.508 0.130) 1.516 61.702 ( 1.733 2.313 0.652) 2.963 62.126 ( -11.729 -1.410 0.693) 11.834 ======================= Grid point 294 (134/252) ======================= q-point: ( 0.10 0.15 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.550 ( 11.116 11.368 15.959) 22.527 1.686 ( 17.356 13.328 14.833) 26.436 2.420 ( 20.658 5.296 -7.856) 22.727 2.714 ( 2.373 18.872 -5.796) 19.884 3.089 ( 6.325 25.281 5.848) 26.708 3.747 ( -1.164 5.904 -2.458) 6.500 3.975 ( -0.092 8.041 -8.133) 11.437 4.520 ( -0.322 4.044 3.115) 5.115 5.143 ( -1.370 -2.352 -1.573) 3.144 5.325 ( 1.000 -5.005 1.206) 5.245 5.490 ( -5.585 -7.152 2.680) 9.462 5.749 ( -2.231 -2.460 -1.154) 3.516 6.356 ( 14.176 -7.517 -2.827) 16.293 6.971 ( 1.338 -11.305 -0.449) 11.392 7.336 ( 5.955 -2.033 1.000) 6.372 7.625 ( -9.363 -3.815 1.729) 10.257 7.842 ( 6.526 2.018 -0.002) 6.831 8.400 ( 4.380 -4.870 0.731) 6.591 8.563 ( -6.176 6.049 -0.151) 8.646 8.706 ( 8.437 7.599 -5.456) 12.597 9.115 ( 1.963 8.466 -2.733) 9.111 10.165 ( 1.440 5.407 0.761) 5.647 18.173 ( -2.148 -7.360 3.318) 8.354 18.426 ( -0.859 -4.083 -1.343) 4.383 18.998 ( -2.853 7.259 -2.744) 8.268 19.261 ( -2.209 5.101 -0.547) 5.586 38.892 ( -2.358 0.338 -0.129) 2.385 39.145 ( -5.856 -1.114 0.277) 5.967 61.768 ( 9.688 0.112 -1.851) 9.864 62.505 ( 40.394 -6.489 -1.576) 40.942 ======================= Grid point 295 (135/252) ======================= q-point: ( 0.20 0.15 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.832 ( 11.656 3.399 20.656) 23.960 2.125 ( 21.305 6.971 8.451) 23.956 2.646 ( 3.651 11.613 -14.721) 19.102 2.873 ( 18.019 5.634 -8.763) 20.814 3.284 ( 11.033 23.329 8.072) 27.039 3.738 ( 1.920 8.843 -4.521) 10.115 4.004 ( 5.565 -1.584 -1.167) 5.902 4.509 ( -1.961 2.490 2.801) 4.230 5.088 ( -3.738 -1.184 -1.199) 4.101 5.342 ( 0.165 -6.451 0.467) 6.470 5.377 ( -4.054 -0.083 -0.718) 4.118 5.713 ( -1.657 -2.611 -1.318) 3.362 6.498 ( 3.195 -11.321 -1.370) 11.842 7.068 ( 3.267 -1.612 0.798) 3.729 7.289 ( -8.870 2.083 2.861) 9.550 7.562 ( 3.449 -4.099 -0.586) 5.388 8.045 ( 6.436 -0.144 1.504) 6.611 8.323 ( -3.961 -6.323 1.942) 7.710 8.587 ( 5.749 0.473 0.124) 5.769 8.897 ( 10.080 -1.772 -4.153) 11.045 9.178 ( 6.959 13.890 -2.322) 15.709 10.224 ( 5.278 8.368 0.090) 9.894 18.110 ( -4.514 -4.573 0.830) 6.480 18.425 ( 0.560 -4.583 0.411) 4.635 18.932 ( -2.973 6.703 -1.190) 7.429 19.210 ( -2.717 4.162 0.198) 4.974 38.840 ( -2.805 0.605 0.063) 2.870 39.025 ( -6.125 -0.793 -0.013) 6.176 61.999 ( 13.687 -4.905 -3.081) 14.863 63.336 ( 43.999 -17.468 -5.604) 47.670 ======================= Grid point 296 (136/252) ======================= q-point: ( 0.30 0.15 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.102 ( 8.504 -0.494 16.226) 18.326 2.509 ( 16.970 3.790 6.594) 18.596 2.648 ( 3.436 11.196 -12.821) 17.365 3.060 ( 4.954 12.422 -9.270) 16.272 3.522 ( 9.231 14.674 2.987) 17.592 3.791 ( 5.259 0.175 -1.579) 5.494 4.169 ( 10.356 -8.240 1.091) 13.279 4.477 ( -2.009 0.826 2.808) 3.550 5.006 ( -4.270 -1.028 -0.931) 4.489 5.297 ( -1.712 -5.876 -3.386) 6.995 5.390 ( 2.905 2.317 -0.161) 3.719 5.670 ( -2.397 -3.322 -1.324) 4.305 6.531 ( 0.968 -6.453 0.601) 6.553 7.026 ( -5.853 -1.073 3.630) 6.970 7.214 ( -0.042 -4.543 1.759) 4.872 7.599 ( -1.042 1.561 -0.498) 1.942 7.954 ( -9.587 -0.691 0.361) 9.619 8.412 ( 5.315 -4.291 2.216) 7.181 8.715 ( 7.303 -3.807 0.448) 8.247 9.010 ( 4.609 -2.979 -1.551) 5.702 9.365 ( 11.645 16.039 -2.600) 19.990 10.361 ( 8.607 10.412 -0.513) 13.519 18.033 ( -3.509 -2.116 -0.293) 4.108 18.439 ( 0.558 -4.906 0.999) 5.038 18.885 ( -1.710 5.890 -0.369) 6.144 19.168 ( -1.750 2.730 0.132) 3.246 38.789 ( -2.811 0.589 0.401) 2.899 38.938 ( -2.697 -0.761 -0.350) 2.824 62.216 ( 9.941 -8.663 -3.388) 13.614 64.023 ( 29.962 -23.370 -3.856) 38.193 ======================= Grid point 297 (137/252) ======================= q-point: ( 0.40 0.15 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.212 ( -1.010 -0.255 4.273) 4.398 2.710 ( 5.951 9.839 -5.045) 12.557 2.825 ( 13.704 6.661 7.340) 16.913 3.052 ( -1.195 16.397 -6.115) 17.541 3.611 ( 1.178 6.202 -0.327) 6.321 3.891 ( 3.415 -8.615 0.644) 9.289 4.325 ( 4.562 -10.815 0.100) 11.738 4.480 ( 1.956 -1.132 2.428) 3.317 4.924 ( -3.823 -1.482 -2.534) 4.820 5.271 ( 0.119 -4.963 -3.892) 6.308 5.469 ( 5.482 1.248 -0.303) 5.630 5.612 ( -3.399 -3.088 -0.579) 4.629 6.550 ( 1.159 -0.142 1.423) 1.841 6.954 ( -3.227 -6.224 4.098) 8.121 7.252 ( 3.056 -5.933 0.934) 6.739 7.511 ( -7.525 0.437 0.380) 7.548 7.815 ( -4.632 1.035 0.461) 4.768 8.463 ( 0.620 -2.637 1.170) 2.951 8.830 ( 3.997 -4.866 0.472) 6.315 9.092 ( 4.114 -0.749 -0.876) 4.272 9.541 ( 7.415 16.922 -1.583) 18.543 10.504 ( 5.680 11.603 -0.594) 12.932 17.980 ( -1.890 -0.740 -0.616) 2.121 18.452 ( 0.375 -4.934 1.050) 5.059 18.863 ( -0.639 5.312 -0.097) 5.351 19.144 ( -0.890 1.597 0.012) 1.828 38.742 ( -2.028 0.483 0.314) 2.108 38.918 ( 0.337 -0.932 -0.123) 0.999 62.335 ( 3.855 -10.719 -3.482) 11.911 64.443 ( 16.246 -26.242 -1.604) 30.906 ======================= Grid point 298 (138/252) ======================= q-point: (-0.50 0.15 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.132 ( -7.297 3.301 1.313) 8.115 2.722 ( -6.267 17.893 -3.246) 19.235 2.989 ( 4.306 6.138 -1.402) 7.628 3.136 ( 10.255 11.213 5.426) 16.135 3.594 ( -2.653 -0.952 -0.852) 2.944 3.896 ( -2.776 -9.064 0.365) 9.487 4.359 ( -0.249 -8.784 1.336) 8.888 4.545 ( 3.709 -5.572 -0.261) 6.699 4.844 ( -3.369 -1.594 -3.854) 5.362 5.268 ( 0.553 -5.463 -2.437) 6.007 5.525 ( -2.765 0.808 -2.374) 3.732 5.593 ( 4.543 -2.215 1.331) 5.226 6.594 ( 2.846 3.394 0.771) 4.496 6.925 ( -1.295 -9.104 4.036) 10.043 7.307 ( 0.250 -2.351 -0.029) 2.364 7.377 ( -4.183 -3.153 1.912) 5.576 7.780 ( 0.530 0.245 0.755) 0.955 8.478 ( 0.972 -1.499 0.566) 1.874 8.863 ( -0.663 -5.082 0.653) 5.166 9.130 ( -0.156 -0.025 -0.825) 0.840 9.632 ( 2.837 16.633 -1.496) 16.939 10.539 ( -2.331 12.686 -0.238) 12.901 17.955 ( -0.658 -0.124 -0.570) 0.879 18.462 ( 0.351 -4.856 0.961) 4.963 18.857 ( 0.012 5.155 -0.042) 5.155 19.133 ( -0.247 1.062 -0.003) 1.091 38.724 ( 0.157 0.483 0.225) 0.556 38.936 ( 1.303 -1.414 -0.143) 1.929 62.335 ( -2.627 -10.795 -3.026) 11.515 64.644 ( 6.024 -28.238 -1.591) 28.917 ======================= Grid point 299 (139/252) ======================= q-point: (-0.40 0.15 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.977 ( -9.959 7.434 4.792) 13.319 2.500 ( -14.737 18.207 2.537) 23.561 3.066 ( 3.723 0.114 -7.423) 8.305 3.278 ( 0.814 17.837 -0.483) 17.862 3.525 ( -4.290 -2.337 3.904) 6.254 3.815 ( -4.546 -5.693 0.129) 7.286 4.326 ( -4.186 -8.619 2.475) 9.896 4.607 ( 2.962 -1.156 -4.389) 5.420 4.785 ( -0.863 -5.700 -1.302) 5.910 5.248 ( -2.910 -7.100 0.153) 7.675 5.478 ( -0.224 4.886 -3.194) 5.841 5.661 ( 1.327 -2.352 0.595) 2.765 6.643 ( 1.885 1.610 -0.594) 2.549 6.955 ( 3.463 -6.005 4.079) 8.043 7.250 ( -2.029 -6.333 0.656) 6.683 7.398 ( 1.778 2.210 2.428) 3.734 7.841 ( 5.771 -2.087 0.331) 6.146 8.498 ( 0.521 -1.488 0.394) 1.625 8.810 ( -5.445 -5.636 1.241) 7.934 9.083 ( -4.005 -0.810 -1.049) 4.219 9.637 ( -1.490 13.891 -2.974) 14.284 10.414 ( -10.573 13.973 0.741) 17.538 17.950 ( 0.234 -0.020 -0.219) 0.321 18.473 ( 0.474 -4.739 0.792) 4.828 18.862 ( 0.602 5.469 -0.098) 5.503 19.134 ( 0.273 1.181 0.102) 1.216 38.750 ( 2.510 0.434 0.240) 2.559 38.961 ( 1.515 -2.013 -0.643) 2.601 62.221 ( -8.211 -8.836 -2.082) 12.241 64.659 ( -3.660 -30.380 -4.255) 30.894 ======================= Grid point 300 (140/252) ======================= q-point: (-0.30 0.15 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.792 ( -12.144 10.966 8.020) 18.222 2.245 ( -13.700 16.985 9.907) 23.965 2.992 ( -10.629 -1.662 -8.973) 14.009 3.191 ( -4.927 11.170 -8.815) 15.059 3.389 ( -13.574 13.208 6.272) 19.951 3.804 ( 3.165 -0.885 -0.317) 3.301 4.230 ( -6.220 -4.925 2.713) 8.385 4.588 ( -1.929 3.822 -6.993) 8.199 4.842 ( 5.804 -9.913 2.472) 11.750 5.175 ( -4.340 -7.494 2.210) 8.937 5.457 ( -2.564 8.003 -2.288) 8.709 5.668 ( 0.915 -2.363 -0.251) 2.547 6.653 ( -0.291 -5.881 -2.569) 6.424 7.075 ( 7.229 1.606 2.909) 7.956 7.271 ( 2.815 -5.082 1.301) 5.953 7.437 ( 2.100 1.700 2.288) 3.541 7.993 ( 9.661 -1.980 0.152) 9.863 8.469 ( -4.866 -3.957 0.975) 6.347 8.666 ( -9.696 -5.362 1.705) 11.210 8.997 ( -4.161 -3.083 -1.766) 5.472 9.556 ( -5.086 10.470 -6.472) 13.318 10.183 ( -13.117 14.911 3.215) 20.118 17.963 ( 1.164 -0.394 0.654) 1.392 18.486 ( 0.649 -4.630 0.436) 4.696 18.882 ( 1.656 6.425 -0.358) 6.645 19.144 ( 0.725 1.861 0.396) 2.036 38.812 ( 3.532 0.242 0.187) 3.546 38.993 ( 2.522 -2.342 -1.119) 3.620 62.025 ( -11.374 -5.287 -1.156) 12.596 64.445 ( -17.661 -32.880 -9.361) 38.479 ======================= Grid point 301 (141/252) ======================= q-point: (-0.20 0.15 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.589 ( -12.176 13.982 11.238) 21.681 2.052 ( -13.121 15.464 14.988) 25.218 2.649 ( -20.193 0.018 -8.328) 21.843 2.946 ( -19.425 20.980 4.635) 28.965 3.205 ( -4.039 15.160 -9.663) 18.426 3.845 ( 0.089 3.246 -1.277) 3.489 4.148 ( -2.419 2.466 -0.128) 3.457 4.525 ( -2.015 2.666 -4.682) 5.752 4.975 ( 6.395 -7.939 4.844) 11.287 5.124 ( -1.858 -7.881 3.822) 8.954 5.372 ( -4.150 8.749 -1.839) 9.857 5.708 ( 2.845 -2.696 -0.747) 3.990 6.618 ( -2.477 -11.592 -3.894) 12.476 7.136 ( -4.161 2.848 -0.782) 5.103 7.377 ( 9.125 -0.606 2.141) 9.392 7.509 ( 4.379 -2.692 1.197) 5.278 8.083 ( -7.211 0.816 1.066) 7.335 8.384 ( 1.525 -11.389 1.229) 11.556 8.517 ( -5.112 0.192 1.110) 5.235 8.900 ( -5.895 -3.942 -3.653) 7.977 9.416 ( -6.107 10.730 -10.642) 16.300 10.007 ( -6.010 11.935 7.065) 15.115 18.002 ( 2.513 -1.539 2.315) 3.748 18.498 ( 0.542 -4.710 -0.304) 4.750 18.928 ( 3.720 8.196 -1.352) 9.101 19.164 ( 1.196 2.895 0.997) 3.287 38.869 ( 2.315 -0.011 -0.258) 2.329 39.059 ( 4.837 -1.971 -0.611) 5.259 61.811 ( -10.096 -1.172 -0.714) 10.188 63.876 ( -39.415 -32.788 -14.230) 53.208 ======================= Grid point 302 (142/252) ======================= q-point: (-0.10 0.15 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.452 ( -6.821 16.161 16.268) 23.924 1.756 ( -24.204 15.657 12.153) 31.283 2.278 ( -12.753 5.183 -8.553) 16.206 2.683 ( -9.556 30.954 14.998) 35.699 3.106 ( -2.085 15.140 -14.847) 21.308 3.811 ( -2.302 7.526 0.037) 7.870 4.112 ( -1.279 7.184 -6.763) 9.949 4.492 ( -0.421 2.657 -0.207) 2.698 5.123 ( 7.535 -7.682 8.455) 13.685 5.133 ( 1.022 -7.851 3.106) 8.505 5.326 ( 0.685 7.643 -2.962) 8.225 5.755 ( 2.322 -3.807 -0.487) 4.485 6.479 ( -12.170 -10.720 -4.180) 16.748 7.040 ( -1.028 -7.228 -1.652) 7.485 7.431 ( -9.356 -2.676 0.547) 9.747 7.609 ( 4.325 -1.788 0.906) 4.767 7.920 ( -0.291 -2.655 -0.179) 2.677 8.331 ( -8.011 -3.898 1.112) 8.978 8.575 ( 4.974 0.351 0.290) 4.995 8.771 ( -3.676 3.975 -5.747) 7.896 9.256 ( -6.723 11.522 -9.990) 16.665 10.023 ( 3.974 5.800 6.290) 9.434 18.074 ( 3.715 -4.082 4.251) 6.966 18.497 ( -0.564 -5.028 -1.394) 5.248 19.006 ( 4.689 9.236 -3.806) 11.035 19.203 ( 2.763 4.237 1.353) 5.236 38.902 ( 1.491 0.190 -0.264) 1.526 39.155 ( 4.720 -1.538 0.107) 4.965 61.679 ( -2.762 1.920 -0.278) 3.375 62.898 ( -54.802 -20.369 -10.005) 59.315 ======================= Grid point 303 (143/252) ======================= q-point: ( 0.00 0.23 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.798 ( 1.286 18.750 11.700) 22.138 1.836 ( -6.867 20.920 4.426) 22.459 2.330 ( 5.250 8.183 -5.645) 11.242 3.010 ( -0.006 6.247 -18.578) 19.600 3.452 ( 0.940 23.978 8.540) 25.471 3.949 ( -2.653 9.738 -0.051) 10.093 4.348 ( -2.979 20.434 -3.573) 20.957 4.626 ( 2.416 7.999 9.277) 12.485 4.975 ( 0.321 -7.322 5.312) 9.052 5.186 ( 4.343 -2.401 0.763) 5.021 5.463 ( 3.523 -1.528 -6.505) 7.554 5.692 ( 1.103 -4.318 -1.511) 4.706 6.123 ( -1.840 -3.895 -5.577) 7.047 6.850 ( -7.441 -8.165 2.321) 11.288 7.070 ( 0.508 -7.230 -0.876) 7.301 7.623 ( -0.376 -7.101 2.948) 7.698 7.927 ( -2.179 3.645 -1.105) 4.388 8.170 ( 3.353 -5.154 0.854) 6.208 8.724 ( 5.659 0.819 -0.249) 5.724 8.766 ( -5.910 1.677 -0.302) 6.150 9.348 ( -2.361 11.405 -8.981) 14.707 10.165 ( 2.662 0.741 4.172) 5.004 18.050 ( 1.050 -3.885 2.600) 4.792 18.371 ( -1.248 -4.891 -1.905) 5.395 19.170 ( -0.627 5.756 -2.338) 6.244 19.346 ( 2.158 3.180 -0.703) 3.907 38.924 ( -0.177 0.516 0.016) 0.546 39.172 ( 0.012 -2.050 0.043) 2.050 61.756 ( 1.332 3.220 0.548) 3.528 62.104 ( -5.596 -0.980 0.414) 5.696 ======================= Grid point 304 (144/252) ======================= q-point: ( 0.10 0.23 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.829 ( 2.688 16.654 7.791) 18.582 1.970 ( 12.510 15.577 9.642) 22.183 2.522 ( 15.644 5.079 -5.567) 17.364 2.950 ( 1.429 5.717 -20.794) 21.613 3.544 ( 4.906 19.877 10.184) 22.866 3.898 ( -2.003 9.547 0.453) 9.766 4.261 ( -5.020 21.013 -2.927) 21.801 4.664 ( -2.106 10.424 8.351) 13.522 4.999 ( 0.712 -10.262 2.778) 10.655 5.229 ( 0.036 -1.726 0.531) 1.806 5.437 ( -2.979 -4.053 -6.862) 8.508 5.700 ( 0.160 -2.948 -1.489) 3.306 6.214 ( 7.852 -5.586 -4.263) 10.537 6.810 ( 8.404 -5.401 0.983) 10.038 7.257 ( 13.284 -5.853 0.675) 14.532 7.509 ( -11.504 -7.851 3.794) 14.435 7.914 ( 2.854 5.430 -0.783) 6.184 8.258 ( 2.128 -7.919 0.398) 8.209 8.608 ( -7.201 -0.521 0.120) 7.221 8.800 ( 2.463 1.894 -1.621) 3.504 9.348 ( 4.806 13.355 -5.518) 15.228 10.245 ( 4.897 2.676 2.526) 6.126 18.061 ( -0.836 -4.316 1.835) 4.764 18.345 ( -0.674 -4.307 -1.238) 4.532 19.124 ( -3.153 5.867 -1.777) 6.894 19.340 ( -2.240 3.062 -0.523) 3.830 38.902 ( -2.062 0.702 0.003) 2.179 39.120 ( -5.104 -1.500 0.160) 5.322 61.782 ( 4.675 1.432 -0.865) 4.965 62.381 ( 28.266 -6.292 -0.060) 28.957 ======================= Grid point 305 (145/252) ======================= q-point: ( 0.20 0.23 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.956 ( 6.512 9.163 11.592) 16.147 2.275 ( 15.210 8.475 6.054) 18.434 2.760 ( 8.141 1.942 -12.506) 15.048 2.980 ( 11.855 3.515 -13.370) 18.212 3.689 ( 6.249 15.773 8.054) 18.780 3.906 ( 2.869 6.029 1.317) 6.805 4.132 ( -7.940 18.293 -1.596) 20.006 4.615 ( -5.318 8.136 6.821) 11.875 5.012 ( -0.732 -7.755 2.696) 8.243 5.200 ( -2.202 -2.875 -3.035) 4.725 5.366 ( -1.209 -4.454 -5.023) 6.821 5.689 ( -0.711 -1.118 -1.639) 2.107 6.308 ( 4.918 -6.610 -1.344) 8.348 7.028 ( 5.862 -2.395 1.307) 6.466 7.288 ( -10.167 -2.591 3.744) 11.140 7.487 ( 10.142 -3.771 -1.519) 10.926 8.011 ( 2.602 -2.644 1.403) 3.966 8.215 ( -0.795 -4.492 0.436) 4.583 8.565 ( 0.911 -2.958 0.125) 3.097 8.843 ( 3.649 -3.461 -2.000) 5.412 9.481 ( 10.729 16.416 -2.991) 19.838 10.383 ( 9.036 7.586 1.220) 11.861 18.035 ( -2.071 -3.064 0.482) 3.730 18.340 ( 0.193 -4.367 0.008) 4.371 19.053 ( -3.526 5.777 -1.114) 6.859 19.280 ( -3.564 2.987 0.057) 4.651 38.855 ( -2.668 0.949 0.096) 2.834 39.010 ( -5.794 -0.713 0.118) 5.838 61.913 ( 8.327 -3.622 -1.813) 9.260 62.988 ( 33.131 -18.024 -2.002) 37.770 ======================= Grid point 306 (146/252) ======================= q-point: ( 0.30 0.23 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.126 ( 6.168 2.952 10.727) 12.721 2.558 ( 13.212 2.232 2.420) 13.616 2.794 ( 4.037 3.974 -12.165) 13.419 3.230 ( 15.287 1.871 -8.397) 17.541 3.804 ( 2.814 12.604 4.436) 13.655 3.919 ( -10.891 13.757 2.011) 17.661 4.023 ( 4.276 -4.896 0.172) 6.503 4.532 ( -5.506 4.152 5.080) 8.565 4.983 ( -3.477 -2.252 3.640) 5.515 5.149 ( -0.411 -6.323 -8.132) 10.309 5.367 ( 2.215 -4.678 -1.166) 5.306 5.661 ( -1.462 0.751 -2.175) 2.726 6.416 ( 6.317 -4.428 1.229) 7.812 6.956 ( -9.148 -5.106 4.019) 11.222 7.202 ( -2.018 2.236 1.737) 3.477 7.589 ( -0.653 -3.057 -1.380) 3.417 7.936 ( -5.318 -0.334 -1.183) 5.458 8.325 ( 5.637 -4.574 2.936) 7.830 8.615 ( 4.953 -6.439 -0.012) 8.124 8.931 ( 6.105 -5.309 -1.819) 8.293 9.706 ( 12.928 18.881 -1.718) 22.947 10.578 ( 10.632 11.323 0.231) 15.534 17.997 ( -1.771 -1.425 -0.277) 2.290 18.347 ( 0.397 -4.655 0.714) 4.726 18.993 ( -2.336 5.312 -0.541) 5.828 19.218 ( -2.893 2.293 0.049) 3.692 38.804 ( -2.881 0.966 0.288) 3.053 38.926 ( -2.753 -0.394 -0.080) 2.783 62.048 ( 6.172 -8.167 -2.103) 10.451 63.530 ( 24.114 -26.768 -1.878) 36.076 ======================= Grid point 307 (147/252) ======================= q-point: ( 0.40 0.23 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.223 ( 0.859 1.190 4.466) 4.701 2.769 ( 8.431 -0.189 -4.500) 9.558 2.917 ( 12.576 1.313 1.324) 12.714 3.437 ( 5.820 16.827 -6.637) 19.002 3.679 ( -10.223 -4.734 2.807) 11.610 3.808 ( -3.792 7.936 1.160) 8.871 4.127 ( 5.265 -8.947 0.677) 10.403 4.446 ( -5.042 -2.370 2.523) 6.117 4.922 ( -3.664 1.223 2.122) 4.407 5.131 ( 1.132 -7.360 -7.654) 10.678 5.428 ( 3.997 -5.139 0.714) 6.550 5.621 ( -1.883 2.439 -2.200) 3.786 6.540 ( 5.942 -1.167 2.924) 6.724 6.825 ( -6.026 -6.211 4.954) 9.971 7.202 ( 2.049 0.507 0.176) 2.118 7.476 ( -8.927 -3.061 -0.453) 9.449 7.853 ( -3.419 2.367 -1.358) 4.374 8.397 ( 2.037 -3.898 2.191) 4.914 8.713 ( 3.950 -7.262 -0.426) 8.278 9.037 ( 4.940 -4.928 -1.081) 7.061 9.912 ( 8.597 20.867 -0.935) 22.588 10.751 ( 6.788 13.135 -0.172) 14.786 17.970 ( -0.970 -0.274 -0.499) 1.124 18.358 ( 0.371 -4.805 0.922) 4.907 18.961 ( -0.963 4.851 -0.267) 4.953 19.174 ( -1.683 1.478 -0.075) 2.241 38.756 ( -1.992 1.013 0.254) 2.249 38.903 ( -0.093 -0.625 -0.032) 0.633 62.120 ( 2.211 -10.859 -2.170) 11.292 63.874 ( 13.154 -31.721 -1.076) 34.357 ======================= Grid point 308 (148/252) ======================= q-point: (-0.50 0.23 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.206 ( -3.205 3.906 1.856) 5.383 2.866 ( 3.625 0.155 -7.467) 8.302 3.188 ( 4.694 -2.870 2.998) 6.266 3.277 ( -5.576 14.759 7.456) 17.450 3.666 ( -6.795 -5.931 -1.975) 9.233 3.742 ( 6.122 8.301 -3.829) 11.002 4.203 ( 0.899 -6.424 1.109) 6.580 4.388 ( 0.316 -10.151 0.656) 10.177 4.864 ( -3.120 2.964 -0.456) 4.327 5.128 ( 0.646 -7.043 -4.383) 8.321 5.508 ( 3.856 -6.498 0.677) 7.586 5.582 ( -1.091 4.002 -1.984) 4.598 6.659 ( 5.353 2.000 2.625) 6.288 6.754 ( -3.486 -7.385 5.223) 9.694 7.265 ( 0.671 -1.558 -1.277) 2.123 7.322 ( -2.728 -1.542 0.992) 3.287 7.801 ( -1.315 1.361 -0.826) 2.065 8.436 ( 1.476 -2.628 1.369) 3.310 8.740 ( -0.936 -7.520 -0.445) 7.591 9.082 ( -0.228 -4.800 -0.768) 4.866 10.006 ( 1.536 21.336 -0.822) 21.407 10.805 ( -1.328 14.110 -0.085) 14.172 17.956 ( -0.328 0.305 -0.475) 0.653 18.368 ( 0.410 -4.843 0.887) 4.940 18.953 ( 0.140 4.731 -0.209) 4.737 19.154 ( -0.404 1.065 -0.079) 1.142 38.738 ( 0.141 1.057 0.197) 1.084 38.911 ( 0.724 -1.117 -0.072) 1.333 62.116 ( -1.827 -11.157 -1.879) 11.460 64.029 ( 3.988 -34.334 -1.223) 34.586 ======================= Grid point 309 (149/252) ======================= q-point: (-0.40 0.23 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.135 ( -5.054 8.379 3.048) 10.249 2.754 ( -13.708 6.663 -0.826) 15.264 3.060 ( -2.969 -0.802 -2.524) 3.979 3.396 ( -5.918 -11.574 -2.872) 13.313 3.595 ( 7.580 11.873 3.889) 14.613 3.847 ( 4.409 11.861 -1.150) 12.706 4.165 ( -3.055 -6.804 1.372) 7.584 4.484 ( 7.941 -9.664 0.744) 12.530 4.786 ( -4.863 3.770 -2.331) 6.580 5.113 ( -1.495 -5.607 -1.010) 5.890 5.561 ( 1.347 -6.762 -1.312) 7.019 5.579 ( 1.531 3.940 -1.547) 4.501 6.662 ( -4.730 -0.657 1.199) 4.924 6.821 ( 7.589 -6.155 4.711) 10.848 7.200 ( -0.879 0.835 -0.132) 1.219 7.411 ( 5.498 -0.720 0.775) 5.599 7.813 ( 3.219 -0.582 -0.467) 3.304 8.452 ( -0.771 -3.157 1.068) 3.421 8.676 ( -5.740 -7.967 0.255) 9.823 9.024 ( -5.147 -5.244 -1.123) 7.433 9.966 ( -5.122 19.413 -1.633) 20.143 10.699 ( -9.650 14.757 0.510) 17.639 17.953 ( 0.119 0.405 -0.278) 0.506 18.380 ( 0.536 -4.864 0.674) 4.939 18.965 ( 1.281 5.087 -0.327) 5.256 19.158 ( 0.752 1.266 0.098) 1.476 38.763 ( 2.334 0.901 0.187) 2.509 38.926 ( 1.031 -1.506 -0.307) 1.851 62.043 ( -5.154 -9.003 -1.270) 10.451 64.013 ( -5.380 -35.384 -2.698) 35.892 ======================= Grid point 310 (150/252) ======================= q-point: (-0.30 0.23 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.032 ( -7.386 13.241 3.884) 15.652 2.491 ( -13.569 8.270 7.230) 17.458 2.933 ( -11.064 -4.562 -6.163) 13.461 3.254 ( -2.622 -4.742 -13.027) 14.109 3.688 ( -3.213 15.972 4.525) 16.909 3.926 ( 3.934 11.089 2.714) 12.075 4.169 ( 3.728 1.227 2.652) 4.737 4.647 ( 3.879 -9.326 5.483) 11.493 4.676 ( -0.771 4.576 -6.495) 7.982 5.068 ( -2.883 -2.874 1.187) 4.240 5.542 ( -2.309 -4.671 -3.049) 6.037 5.617 ( 2.441 2.057 -0.913) 3.320 6.553 ( -6.126 -3.772 -1.889) 7.438 7.016 ( 10.702 -5.889 4.139) 12.898 7.244 ( 3.435 1.460 1.258) 3.939 7.481 ( 1.751 1.096 -0.484) 2.122 7.930 ( 9.378 -3.130 -0.199) 9.888 8.374 ( -9.898 -5.664 1.959) 11.571 8.547 ( -6.213 -6.744 0.658) 9.193 8.910 ( -5.553 -5.944 -1.758) 8.322 9.821 ( -8.415 16.252 -3.548) 18.642 10.473 ( -13.886 14.322 1.997) 20.048 17.959 ( 0.594 0.067 0.204) 0.632 18.393 ( 0.614 -4.966 0.214) 5.008 19.002 ( 2.964 5.899 -0.747) 6.644 19.182 ( 1.612 1.966 0.531) 2.597 38.820 ( 3.250 0.604 0.137) 3.308 38.954 ( 2.462 -1.587 -0.449) 2.963 61.922 ( -6.937 -4.997 -0.679) 8.576 63.785 ( -18.103 -34.301 -4.937) 39.099 ======================= Grid point 311 (151/252) ======================= q-point: (-0.20 0.23 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.895 ( -8.099 17.115 5.632) 19.754 2.292 ( -12.181 9.671 10.262) 18.634 2.642 ( -15.239 -0.875 -7.416) 16.970 3.176 ( -1.119 0.170 -17.038) 17.075 3.567 ( -9.119 23.255 6.229) 25.744 3.979 ( 1.256 8.287 -0.187) 8.384 4.296 ( 6.560 13.572 4.650) 15.775 4.561 ( -3.940 -0.161 -0.346) 3.959 4.831 ( 8.058 -4.281 2.814) 9.548 5.031 ( -1.042 -1.800 1.743) 2.714 5.472 ( -3.080 -1.374 -3.707) 5.011 5.654 ( 1.713 -0.787 -0.786) 2.043 6.435 ( -5.328 -6.285 -4.528) 9.401 7.118 ( -7.186 -3.419 0.236) 7.961 7.322 ( 8.633 -5.224 4.153) 10.912 7.507 ( 0.460 0.748 -1.848) 2.046 8.062 ( -9.911 -2.001 1.018) 10.162 8.171 ( 3.066 -9.459 1.140) 10.009 8.489 ( -0.071 -3.307 0.611) 3.364 8.824 ( -2.365 -4.142 -1.711) 5.067 9.652 ( -7.322 13.274 -6.855) 16.637 10.235 ( -11.197 11.023 4.824) 16.436 17.978 ( 1.237 -0.802 1.082) 1.829 18.402 ( 0.306 -5.199 -0.561) 5.238 19.073 ( 4.963 6.678 -1.890) 8.533 19.221 ( 2.193 2.852 1.286) 3.821 38.873 ( 2.313 0.478 -0.095) 2.364 39.025 ( 5.026 -1.517 -0.105) 5.251 61.794 ( -5.843 -0.420 -0.384) 5.871 63.280 ( -33.054 -28.112 -5.922) 43.794 ======================= Grid point 312 (152/252) ======================= q-point: (-0.10 0.23 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.797 ( -4.674 19.025 9.397) 21.728 2.056 ( -15.927 14.747 7.103) 22.839 2.382 ( -7.934 5.542 -6.936) 11.907 3.086 ( -1.519 5.530 -16.741) 17.697 3.456 ( -4.337 25.257 6.557) 26.452 3.982 ( -0.638 9.271 -0.871) 9.334 4.386 ( 0.877 20.256 -0.834) 20.293 4.543 ( 1.755 0.958 6.028) 6.351 4.943 ( 1.309 -2.985 7.540) 8.214 5.076 ( 5.918 -3.157 -0.748) 6.749 5.428 ( 0.593 0.267 -4.572) 4.618 5.676 ( 1.157 -3.070 -1.302) 3.530 6.289 ( -9.066 -7.382 -5.836) 13.067 6.925 ( -7.151 -4.908 -0.872) 8.717 7.332 ( -18.603 -7.391 0.327) 20.020 7.521 ( 8.624 -7.035 3.684) 11.723 7.925 ( 0.432 3.383 -0.946) 3.540 8.199 ( -3.963 -7.598 1.026) 8.631 8.581 ( 8.254 -1.168 0.489) 8.351 8.812 ( 0.521 0.521 -1.490) 1.662 9.485 ( -7.300 11.250 -9.701) 16.552 10.129 ( -2.004 4.732 6.223) 8.071 18.013 ( 1.692 -2.289 2.121) 3.550 18.396 ( -0.576 -5.315 -1.458) 5.541 19.154 ( 3.578 6.247 -3.126) 7.849 19.279 ( 3.724 3.580 1.230) 5.311 38.909 ( 1.554 0.564 -0.083) 1.655 39.123 ( 4.604 -1.772 0.117) 4.934 61.725 ( -0.737 2.871 -0.051) 2.964 62.572 ( -36.491 -13.703 -3.029) 39.096 ======================= Grid point 313 (153/252) ======================= q-point: ( 0.00 0.31 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.151 ( 0.264 16.791 5.482) 17.666 2.214 ( -3.109 18.231 1.580) 18.562 2.477 ( 4.141 6.699 -2.847) 8.375 3.034 ( 1.368 -1.422 -19.442) 19.542 3.854 ( -2.807 16.337 4.862) 17.275 4.143 ( -2.687 10.206 0.423) 10.562 4.580 ( 5.018 -2.557 5.382) 7.790 4.837 ( -1.619 19.133 2.433) 19.355 5.057 ( -3.197 9.221 1.251) 9.840 5.147 ( 4.523 2.481 5.825) 7.780 5.362 ( 4.229 -6.082 -10.013) 12.455 5.606 ( -1.259 -5.698 -2.397) 6.309 6.116 ( 0.382 3.253 -5.004) 5.981 6.754 ( -7.741 -2.383 3.110) 8.676 6.919 ( 1.935 -8.277 -0.750) 8.533 7.423 ( -1.826 -12.327 5.075) 13.456 8.039 ( 1.349 5.096 -0.244) 5.277 8.097 ( 0.993 -0.528 0.026) 1.124 8.674 ( 1.885 -4.154 0.581) 4.598 8.797 ( -1.299 0.619 -0.570) 1.548 9.529 ( -1.427 7.457 -6.568) 10.039 10.147 ( 1.361 -2.751 4.118) 5.136 18.001 ( 0.424 -1.257 0.894) 1.600 18.277 ( -0.757 -4.900 -1.410) 5.154 19.265 ( -0.640 4.155 -1.314) 4.405 19.392 ( 1.452 1.598 -0.403) 2.197 38.938 ( -0.140 0.955 0.064) 0.968 39.129 ( 0.073 -2.375 -0.021) 2.376 61.824 ( 0.873 3.696 0.440) 3.823 62.084 ( -2.631 -1.108 0.122) 2.858 ======================= Grid point 314 (154/252) ======================= q-point: ( 0.10 0.31 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.149 ( -0.978 15.377 1.671) 15.499 2.275 ( 6.888 15.862 5.777) 18.233 2.607 ( 9.852 3.559 -3.075) 10.917 2.992 ( 1.811 -0.027 -19.253) 19.338 3.830 ( -1.629 10.996 5.659) 12.474 4.100 ( -1.913 10.334 1.766) 10.657 4.670 ( 1.117 8.804 3.144) 9.415 4.790 ( -3.499 8.977 3.413) 10.222 4.963 ( -6.758 8.021 1.139) 10.550 5.212 ( 0.497 -1.907 3.691) 4.184 5.328 ( -2.855 -2.782 -11.422) 12.098 5.618 ( 2.284 -5.339 -0.399) 5.821 6.183 ( 5.190 2.108 -3.261) 6.482 6.743 ( 9.493 -2.112 1.647) 9.863 7.120 ( 14.626 -7.973 0.615) 16.669 7.338 ( -7.522 -9.508 4.772) 13.028 8.035 ( -2.445 6.147 -0.667) 6.649 8.133 ( 2.220 -4.076 -0.065) 4.642 8.560 ( -7.810 -3.795 0.165) 8.685 8.803 ( -1.167 -1.411 -0.462) 1.889 9.582 ( 8.453 10.735 -4.398) 14.354 10.263 ( 9.398 -0.936 2.736) 9.833 18.005 ( -0.282 -1.531 0.588) 1.665 18.260 ( -0.431 -4.490 -0.948) 4.610 19.224 ( -3.032 4.517 -1.098) 5.550 19.382 ( -2.109 1.386 -0.357) 2.549 38.919 ( -1.819 1.091 0.060) 2.122 39.088 ( -4.102 -1.799 0.043) 4.479 61.823 ( 1.078 2.688 -0.296) 2.912 62.264 ( 17.857 -5.835 0.171) 18.787 ======================= Grid point 315 (155/252) ======================= q-point: ( 0.20 0.31 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.160 ( 1.074 11.036 3.573) 11.650 2.445 ( 8.260 8.818 4.109) 12.762 2.770 ( 7.389 -0.405 -6.896) 10.115 3.000 ( 6.984 -0.715 -14.378) 16.000 3.833 ( -0.396 2.984 6.080) 6.785 4.089 ( -0.439 10.220 2.503) 10.531 4.558 ( -12.645 22.337 1.425) 25.707 4.766 ( -4.352 3.002 5.201) 7.416 4.856 ( -2.098 -3.354 -1.207) 4.136 5.204 ( -0.163 -11.220 -7.194) 13.329 5.239 ( -3.316 6.023 -0.404) 6.887 5.653 ( 1.322 -2.505 -0.352) 2.854 6.261 ( 4.763 1.153 -0.137) 4.902 6.953 ( 2.365 -5.884 2.301) 6.746 7.223 ( 1.442 -3.084 2.721) 4.358 7.410 ( 10.656 -4.194 -0.349) 11.457 7.968 ( -3.465 -1.305 0.335) 3.718 8.159 ( 2.607 -1.243 -0.872) 3.017 8.480 ( -1.870 -5.369 0.042) 5.685 8.759 ( -1.099 -5.299 -0.485) 5.433 9.791 ( 14.341 15.484 -2.108) 21.210 10.499 ( 14.154 4.138 1.214) 14.796 17.995 ( -0.735 -0.984 0.036) 1.229 18.255 ( 0.051 -4.405 -0.141) 4.407 19.154 ( -3.736 4.702 -0.844) 6.065 19.323 ( -3.727 1.496 -0.067) 4.017 38.876 ( -2.564 1.221 0.090) 2.841 38.996 ( -4.988 -0.759 0.067) 5.046 61.868 ( 3.310 -0.832 -0.842) 3.515 62.654 ( 21.644 -16.312 -0.618) 27.110 ======================= Grid point 316 (156/252) ======================= q-point: ( 0.30 0.31 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.207 ( 1.969 5.049 4.499) 7.043 2.600 ( 7.332 1.870 1.162) 7.656 2.833 ( 4.321 0.726 -9.175) 10.167 3.157 ( 12.064 -6.848 -7.541) 15.789 3.855 ( 0.408 -3.553 5.740) 6.762 4.073 ( -2.573 5.659 1.427) 6.378 4.265 ( -17.844 18.664 1.589) 25.871 4.630 ( -9.893 6.488 2.530) 12.098 4.866 ( 1.613 -7.772 -0.996) 8.000 5.154 ( -1.467 2.969 -7.858) 8.528 5.233 ( 1.801 -6.166 1.977) 6.721 5.665 ( 0.224 -0.641 -0.681) 0.962 6.373 ( 6.392 -0.254 2.502) 6.869 6.846 ( -9.039 -6.153 4.270) 11.739 7.276 ( -0.506 4.852 1.271) 5.041 7.511 ( -0.002 -3.839 -1.183) 4.017 7.936 ( -0.327 0.046 -2.708) 2.728 8.246 ( 4.398 -3.332 2.398) 6.016 8.474 ( 2.776 -7.943 -0.288) 8.419 8.802 ( 5.255 -7.985 -1.042) 9.615 10.076 ( 15.332 18.924 -0.860) 24.371 10.771 ( 13.549 8.102 0.215) 15.788 17.982 ( -0.588 -0.095 -0.291) 0.663 18.259 ( 0.257 -4.519 0.444) 4.548 19.088 ( -2.806 4.474 -0.521) 5.306 19.253 ( -3.488 1.280 -0.075) 3.716 38.826 ( -2.787 1.299 0.177) 3.080 38.921 ( -2.667 -0.198 -0.032) 2.674 61.921 ( 2.286 -4.543 -1.027) 5.189 63.019 ( 16.436 -25.621 -0.868) 30.452 ======================= Grid point 317 (157/252) ======================= q-point: ( 0.40 0.31 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.249 ( 0.866 1.305 3.165) 3.531 2.735 ( 6.850 -3.220 -2.165) 7.872 2.915 ( 7.407 -0.922 -4.242) 8.585 3.336 ( 6.738 -13.800 -3.379) 15.724 3.844 ( -9.701 -0.446 6.164) 11.503 3.954 ( -5.399 10.278 -1.306) 11.683 4.047 ( -1.103 4.691 -0.552) 4.850 4.432 ( -11.249 2.239 0.217) 11.471 4.887 ( 0.319 -4.853 1.334) 5.043 5.111 ( -0.389 5.378 -6.293) 8.287 5.293 ( 3.472 -8.169 0.536) 8.892 5.660 ( -0.443 0.990 -0.718) 1.301 6.503 ( 5.256 -2.379 4.888) 7.562 6.730 ( -4.359 -3.916 5.271) 7.881 7.253 ( -0.529 4.152 -0.674) 4.239 7.434 ( -6.284 -0.533 -0.819) 6.360 7.889 ( -3.344 1.277 -2.828) 4.562 8.326 ( 3.520 -3.047 2.557) 5.311 8.555 ( 3.979 -8.849 -1.293) 9.788 8.907 ( 5.111 -8.293 -0.594) 9.760 10.321 ( 9.954 20.832 -0.327) 23.090 10.981 ( 8.063 10.095 -0.195) 12.921 17.973 ( -0.254 0.636 -0.375) 0.781 18.267 ( 0.321 -4.627 0.696) 4.690 19.048 ( -1.283 4.082 -0.325) 4.291 19.198 ( -2.195 0.883 -0.164) 2.371 38.781 ( -1.808 1.524 0.157) 2.370 38.894 ( -0.513 -0.367 -0.047) 0.633 61.942 ( 0.424 -6.899 -1.057) 6.992 63.255 ( 9.014 -31.520 -0.727) 32.792 ======================= Grid point 318 (158/252) ======================= q-point: (-0.50 0.31 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.265 ( 0.024 1.804 2.301) 2.924 2.820 ( 3.276 -4.716 -6.002) 8.307 3.064 ( 7.509 -7.811 -1.317) 10.915 3.273 ( -13.537 -12.219 3.651) 18.598 3.675 ( -3.112 5.720 2.348) 6.923 3.999 ( 7.791 13.127 -4.799) 16.001 4.119 ( 7.676 -5.810 1.525) 9.746 4.229 ( -9.418 -0.725 -1.022) 9.501 4.884 ( -1.327 -1.969 2.364) 3.350 5.091 ( 0.400 4.513 -5.447) 7.085 5.352 ( 2.463 -9.234 -0.028) 9.557 5.649 ( -0.301 2.257 -0.651) 2.369 6.580 ( 1.024 -5.997 6.558) 8.945 6.722 ( 0.585 -0.105 4.659) 4.697 7.264 ( 0.855 1.642 -2.444) 3.065 7.332 ( -1.800 2.458 0.253) 3.057 7.823 ( -1.985 1.050 -2.249) 3.178 8.386 ( 1.687 -2.292 1.807) 3.371 8.578 ( -1.048 -8.925 -1.590) 9.126 8.955 ( -0.422 -8.036 -0.209) 8.049 10.425 ( 0.896 21.299 -0.268) 21.320 11.053 ( -0.644 10.918 -0.214) 10.939 17.969 ( -0.056 1.043 -0.362) 1.106 18.276 ( 0.388 -4.710 0.698) 4.778 19.037 ( 0.244 3.928 -0.294) 3.946 19.172 ( -0.429 0.710 -0.150) 0.843 38.765 ( 0.095 1.618 0.120) 1.625 38.893 ( 0.322 -0.734 -0.078) 0.805 61.932 ( -1.110 -7.218 -0.893) 7.357 63.358 ( 2.344 -34.241 -0.902) 34.333 ======================= Grid point 319 (159/252) ======================= q-point: (-0.40 0.31 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.274 ( 0.006 5.173 2.572) 5.777 2.782 ( -6.477 -2.140 -5.278) 8.625 3.000 ( -12.594 -7.715 2.795) 15.031 3.131 ( 0.666 -11.659 -5.507) 12.912 3.745 ( 7.410 3.168 4.581) 9.270 4.089 ( -3.784 3.027 -2.005) 5.244 4.170 ( 10.379 13.392 -2.361) 17.107 4.310 ( 10.892 -6.072 2.631) 12.745 4.844 ( -3.838 1.168 0.509) 4.044 5.085 ( 0.413 3.500 -2.631) 4.398 5.379 ( 0.597 -10.580 -1.479) 10.699 5.650 ( 0.851 2.243 -0.972) 2.589 6.600 ( -2.390 -4.398 5.753) 7.625 6.755 ( 2.870 -1.804 3.027) 4.545 7.261 ( 1.696 4.774 -0.709) 5.116 7.391 ( 5.043 -0.675 -0.231) 5.093 7.815 ( 2.132 0.722 -1.544) 2.729 8.388 ( -2.672 -3.176 1.451) 4.397 8.510 ( -5.328 -8.970 -0.998) 10.481 8.889 ( -5.897 -8.406 -0.428) 10.277 10.355 ( -7.763 20.121 -0.708) 21.579 10.954 ( -9.573 11.084 0.110) 14.646 17.967 ( 0.027 1.129 -0.297) 1.168 18.286 ( 0.460 -4.830 0.487) 4.877 19.055 ( 1.845 4.184 -0.440) 4.594 19.180 ( 1.266 0.978 0.045) 1.600 38.785 ( 2.011 1.375 0.112) 2.439 38.903 ( 0.878 -0.892 -0.160) 1.261 61.897 ( -2.172 -5.429 -0.563) 5.874 63.334 ( -4.730 -34.062 -1.601) 34.426 ======================= Grid point 320 (160/252) ======================= q-point: (-0.30 0.31 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.275 ( -1.259 10.831 2.068) 11.098 2.585 ( -11.199 2.584 3.351) 11.972 2.803 ( -9.498 -9.157 -4.096) 13.815 3.119 ( 1.683 -6.992 -11.627) 13.671 3.877 ( 2.528 2.300 6.002) 6.907 4.084 ( 4.112 5.911 -1.462) 7.348 4.366 ( 9.727 14.945 0.416) 17.836 4.522 ( 9.385 -1.424 6.170) 11.321 4.758 ( -3.057 3.766 -3.785) 6.153 5.084 ( -0.318 4.497 1.193) 4.663 5.364 ( -1.083 -11.121 -3.643) 11.752 5.667 ( 1.050 1.095 -1.513) 2.142 6.514 ( -6.695 -0.429 0.486) 6.727 6.891 ( 9.005 -6.542 4.500) 12.006 7.299 ( -0.490 3.717 1.439) 4.016 7.465 ( 3.239 -1.999 -1.594) 4.126 7.897 ( 6.895 -0.357 -1.343) 7.034 8.269 ( -11.182 -4.679 1.938) 12.275 8.406 ( -3.808 -7.825 -0.173) 8.704 8.771 ( -5.197 -8.386 -0.602) 9.885 10.153 ( -12.234 17.429 -1.836) 21.373 10.713 ( -15.574 10.068 1.001) 18.572 17.968 ( 0.169 0.917 -0.118) 0.940 18.296 ( 0.425 -5.034 0.049) 5.052 19.105 ( 3.663 4.649 -0.878) 5.983 19.217 ( 2.408 1.580 0.481) 2.920 38.835 ( 2.952 0.972 0.088) 3.109 38.932 ( 2.436 -0.863 -0.163) 2.590 61.849 ( -2.677 -2.138 -0.254) 3.435 63.155 ( -13.804 -30.365 -2.400) 33.442 ======================= Grid point 321 (161/252) ======================= q-point: (-0.20 0.31 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.227 ( -4.216 16.694 2.072) 17.343 2.429 ( -7.644 4.552 6.558) 11.052 2.612 ( -8.117 -2.177 -6.131) 10.403 3.105 ( 1.830 -5.184 -15.798) 16.727 3.903 ( -0.918 9.109 5.379) 10.618 4.168 ( 3.367 9.487 -0.176) 10.069 4.463 ( -0.486 3.461 3.371) 4.856 4.688 ( 6.978 15.463 5.867) 17.950 4.809 ( 9.759 0.564 -4.160) 10.624 5.082 ( -0.960 7.288 4.431) 8.583 5.326 ( -0.725 -10.904 -5.810) 12.376 5.670 ( -0.158 0.137 -2.070) 2.080 6.381 ( -6.885 0.312 -2.654) 7.385 7.020 ( -3.204 -6.860 2.297) 7.912 7.223 ( -1.503 -4.030 3.117) 5.312 7.479 ( -5.222 -3.739 -1.193) 6.532 8.025 ( 2.186 -2.766 -0.910) 3.641 8.060 ( -3.981 -0.440 1.220) 4.187 8.394 ( 2.673 -6.239 0.354) 6.796 8.729 ( 1.458 -5.859 0.085) 6.039 9.911 ( -11.906 13.233 -4.089) 18.264 10.412 ( -15.815 6.899 2.897) 17.496 17.974 ( 0.446 0.395 0.239) 0.642 18.300 ( 0.102 -5.252 -0.580) 5.285 19.183 ( 4.852 4.703 -1.790) 6.990 19.270 ( 2.949 2.218 1.144) 3.864 38.886 ( 2.371 0.870 -0.012) 2.526 39.000 ( 4.632 -1.177 0.014) 4.779 61.802 ( -1.931 1.450 -0.100) 2.417 62.799 ( -22.417 -21.823 -2.333) 31.372 ======================= Grid point 322 (162/252) ======================= q-point: (-0.10 0.31 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.162 ( -3.373 17.966 4.963) 18.941 2.309 ( -6.899 11.437 2.615) 13.610 2.483 ( -3.187 4.666 -4.006) 6.927 3.075 ( 1.517 -3.322 -18.325) 18.686 3.890 ( -2.461 15.779 5.145) 16.778 4.184 ( -1.157 12.029 -0.699) 12.105 4.483 ( 2.460 -3.781 4.986) 6.724 4.814 ( 3.609 20.762 2.716) 21.248 4.996 ( 9.409 -0.811 0.692) 9.469 5.083 ( -0.965 11.713 5.972) 13.183 5.314 ( 2.509 -9.766 -7.673) 12.671 5.647 ( -1.299 -1.783 -2.954) 3.687 6.227 ( -8.005 0.939 -4.471) 9.217 6.843 ( -7.894 -3.679 0.301) 8.714 7.159 ( -18.162 -9.857 0.832) 20.681 7.367 ( 3.775 -8.451 4.558) 10.317 8.018 ( 1.754 4.375 -0.441) 4.734 8.086 ( -0.140 -2.380 0.245) 2.397 8.522 ( 9.789 -4.487 0.498) 10.780 8.795 ( 3.404 -2.317 -0.221) 4.123 9.678 ( -10.398 8.862 -6.547) 15.149 10.191 ( -8.040 1.402 4.660) 9.398 17.986 ( 0.662 -0.423 0.682) 1.040 18.294 ( -0.458 -5.254 -1.195) 5.407 19.253 ( 2.685 4.134 -2.031) 5.331 19.337 ( 3.653 2.360 0.774) 4.417 38.924 ( 1.525 0.937 0.008) 1.790 39.087 ( 3.989 -1.927 0.050) 4.431 61.789 ( 0.876 3.751 0.103) 3.854 62.353 ( -21.912 -9.394 -0.951) 23.860 ======================= Grid point 323 (163/252) ======================= q-point: ( 0.00 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.417 ( -0.616 10.583 1.964) 10.781 2.538 ( 0.295 14.895 0.108) 14.899 2.579 ( 2.882 3.661 -0.671) 4.708 2.992 ( 1.711 -2.750 -12.907) 13.307 4.085 ( -1.418 8.393 1.234) 8.600 4.314 ( -3.456 4.990 3.412) 6.963 4.535 ( 2.946 2.159 -3.459) 5.031 4.991 ( 1.104 -7.151 -6.250) 9.561 5.099 ( -0.187 3.593 1.758) 4.004 5.362 ( 8.118 3.532 -0.736) 8.884 5.415 ( -4.087 14.115 2.556) 14.916 5.504 ( -2.378 0.953 -0.567) 2.624 6.221 ( 0.086 7.010 -2.808) 7.552 6.730 ( -9.525 -3.957 1.472) 10.419 6.766 ( 5.663 -3.761 1.710) 7.010 7.176 ( -2.342 -12.685 5.594) 14.060 8.056 ( 1.817 0.879 0.862) 2.195 8.179 ( 0.128 3.598 -0.656) 3.659 8.608 ( 1.873 -1.590 0.620) 2.534 8.782 ( 0.135 -2.088 -0.502) 2.151 9.653 ( -1.099 5.996 -3.943) 7.260 10.060 ( 0.202 -6.118 2.687) 6.685 17.998 ( 0.110 0.967 -0.050) 0.975 18.184 ( -0.440 -4.643 -1.022) 4.775 19.333 ( -0.385 2.904 -0.834) 3.046 19.410 ( 0.816 0.304 -0.289) 0.917 38.961 ( -0.066 1.463 0.069) 1.466 39.082 ( 0.090 -2.457 -0.039) 2.459 61.896 ( 0.429 3.677 0.312) 3.715 62.058 ( -1.208 -1.682 0.006) 2.071 ======================= Grid point 324 (164/252) ======================= q-point: ( 0.10 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.397 ( -2.062 10.212 0.514) 10.431 2.558 ( 1.397 11.623 1.730) 11.833 2.662 ( 5.930 3.092 -1.356) 6.824 2.976 ( 1.649 -1.493 -12.977) 13.166 4.017 ( -6.009 9.043 1.787) 11.004 4.260 ( -2.871 5.387 4.186) 7.401 4.609 ( 5.023 -3.259 -3.093) 6.740 4.956 ( -1.157 -8.842 -8.724) 12.475 5.077 ( -3.776 6.644 3.150) 8.266 5.235 ( -12.516 9.295 -1.142) 15.632 5.450 ( -1.237 10.137 2.802) 10.590 5.526 ( 4.263 -2.016 0.215) 4.721 6.265 ( 3.472 5.866 -1.314) 6.942 6.704 ( 6.249 -2.960 1.343) 7.044 6.970 ( 12.736 -6.477 2.065) 14.437 7.156 ( 0.613 -8.917 4.318) 9.926 8.067 ( -2.475 -0.143 -0.195) 2.487 8.164 ( -0.761 3.289 -0.443) 3.405 8.497 ( -8.847 -1.366 0.031) 8.951 8.749 ( -4.694 -4.101 -0.060) 6.233 9.769 ( 13.106 8.939 -2.662) 16.086 10.208 ( 13.708 -4.660 1.834) 14.594 17.999 ( -0.061 0.795 -0.115) 0.806 18.174 ( -0.230 -4.374 -0.726) 4.439 19.300 ( -2.709 3.303 -0.735) 4.335 19.396 ( -2.072 0.041 -0.295) 2.093 38.944 ( -1.744 1.481 0.059) 2.289 39.051 ( -3.116 -1.980 -0.020) 3.692 61.885 ( -0.480 3.705 -0.027) 3.736 62.156 ( 9.583 -5.405 0.107) 11.003 ======================= Grid point 325 (165/252) ======================= q-point: ( 0.20 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.353 ( -2.533 8.551 0.171) 8.920 2.588 ( 0.899 4.316 1.705) 4.727 2.770 ( 5.727 1.787 -3.126) 6.765 2.976 ( 3.346 -1.545 -11.076) 11.673 3.902 ( -6.326 4.849 2.831) 8.458 4.208 ( -5.198 1.490 4.171) 6.829 4.685 ( 4.105 -4.008 -3.576) 6.760 4.876 ( -8.680 3.741 -4.003) 10.264 4.975 ( -8.575 9.058 3.323) 12.908 5.006 ( -5.452 -2.093 -4.573) 7.418 5.396 ( -4.463 8.563 3.006) 10.113 5.598 ( 2.781 -2.993 -0.370) 4.102 6.321 ( 2.963 4.617 1.398) 5.662 6.799 ( -1.760 -9.593 3.669) 10.420 7.191 ( 13.261 -0.185 1.639) 13.363 7.331 ( 11.907 -3.895 0.382) 12.534 7.970 ( -4.930 1.519 -1.040) 5.262 8.155 ( 0.383 -0.067 -0.599) 0.714 8.381 ( -4.010 -3.869 -0.435) 5.589 8.639 ( -4.778 -7.037 0.418) 8.516 10.072 ( 18.554 13.436 -1.161) 22.938 10.532 ( 18.732 -0.876 0.710) 18.766 17.996 ( -0.109 0.998 -0.232) 1.030 18.171 ( 0.063 -4.261 -0.220) 4.267 19.234 ( -3.725 3.574 -0.621) 5.200 19.338 ( -3.676 0.086 -0.176) 3.682 38.902 ( -2.549 1.410 0.050) 2.913 38.979 ( -4.012 -1.012 -0.012) 4.137 61.886 ( 0.341 2.694 -0.285) 2.731 62.365 ( 11.605 -13.546 -0.202) 17.839 ======================= Grid point 326 (166/252) ======================= q-point: ( 0.30 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.308 ( -2.292 5.205 0.393) 5.701 2.608 ( 1.186 -1.929 -0.144) 2.269 2.843 ( 3.723 1.053 -4.508) 5.941 3.032 ( 5.614 -5.321 -6.946) 10.396 3.815 ( -3.975 0.017 3.756) 5.469 4.082 ( -8.805 -3.929 1.728) 9.796 4.581 ( -16.229 12.541 0.855) 20.528 4.729 ( -6.055 -1.322 -4.146) 7.456 4.803 ( -3.384 6.183 1.527) 7.212 5.027 ( 5.079 -8.263 -5.024) 10.923 5.324 ( -3.761 7.713 1.859) 8.780 5.632 ( 1.082 -2.880 0.134) 3.079 6.395 ( 3.684 2.395 3.942) 5.903 6.719 ( -6.136 -7.035 5.096) 10.635 7.371 ( 1.569 4.547 0.719) 4.864 7.466 ( 3.587 -0.739 -0.901) 3.772 7.942 ( 1.282 1.043 -3.202) 3.603 8.198 ( 3.747 -2.235 0.838) 4.443 8.328 ( 0.372 -5.962 -0.295) 5.981 8.630 ( 3.535 -9.545 -0.109) 10.179 10.420 ( 17.586 16.274 -0.340) 23.963 10.873 ( 16.350 2.147 0.027) 16.491 17.994 ( 0.038 1.388 -0.265) 1.414 18.174 ( 0.233 -4.257 0.203) 4.268 19.165 ( -3.159 3.468 -0.444) 4.712 19.266 ( -3.676 0.075 -0.186) 3.682 38.853 ( -2.559 1.464 0.065) 2.949 38.916 ( -2.478 -0.440 -0.070) 2.518 61.886 ( -0.236 1.270 -0.373) 1.344 62.561 ( 8.802 -21.404 -0.419) 23.147 ======================= Grid point 327 (167/252) ======================= q-point: ( 0.40 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.274 ( -1.303 1.506 0.645) 2.094 2.637 ( 2.260 -7.441 -2.279) 8.103 2.892 ( 3.123 -0.841 -3.718) 4.928 3.105 ( 2.989 -8.917 -3.188) 9.930 3.773 ( -3.017 -3.016 4.406) 6.132 3.932 ( -5.524 -5.367 0.402) 7.712 4.317 ( -9.711 13.533 -0.874) 16.679 4.503 ( -11.939 3.363 -2.606) 12.674 4.833 ( 2.135 0.196 -0.798) 2.287 5.106 ( 4.332 -8.056 -4.263) 10.091 5.274 ( -2.176 7.804 1.755) 8.289 5.646 ( 0.351 -2.605 0.711) 2.723 6.472 ( 1.921 -0.272 6.134) 6.433 6.656 ( -1.800 -4.106 6.038) 7.520 7.341 ( -1.933 4.723 -1.382) 5.287 7.460 ( -3.248 2.403 -0.283) 4.050 7.913 ( -2.659 1.830 -3.950) 5.101 8.277 ( 3.615 -3.506 1.155) 5.166 8.396 ( 4.664 -5.708 -1.030) 7.442 8.729 ( 5.459 -9.853 0.140) 11.265 10.694 ( 10.810 17.366 -0.033) 20.455 11.120 ( 9.322 3.884 -0.251) 10.102 17.995 ( 0.160 1.740 -0.236) 1.763 18.180 ( 0.303 -4.285 0.427) 4.317 19.118 ( -1.629 3.116 -0.324) 3.531 19.207 ( -2.370 0.013 -0.231) 2.381 38.813 ( -1.527 1.752 0.038) 2.324 38.886 ( -0.816 -0.530 -0.100) 0.978 61.875 ( -0.734 0.346 -0.380) 0.896 62.686 ( 4.750 -26.741 -0.467) 27.164 ======================= Grid point 328 (168/252) ======================= q-point: (-0.50 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.270 ( 0.738 -0.734 1.280) 1.650 2.664 ( 1.496 -12.035 -4.256) 12.853 2.922 ( 0.492 -4.578 -2.670) 5.322 3.083 ( -4.611 -6.546 -0.710) 8.039 3.716 ( -2.122 0.157 3.585) 4.169 3.939 ( 4.249 -8.561 1.836) 9.732 4.251 ( 2.755 10.429 -2.783) 11.140 4.330 ( -3.202 6.676 -3.982) 8.407 4.856 ( 0.664 0.207 -0.189) 0.721 5.146 ( 1.624 -7.657 -5.200) 9.397 5.254 ( -0.924 6.940 2.867) 7.566 5.652 ( -0.012 -2.210 0.919) 2.393 6.507 ( 0.057 -1.303 7.219) 7.336 6.686 ( 1.252 -3.482 6.069) 7.108 7.323 ( 0.916 4.055 -2.467) 4.834 7.397 ( -2.090 3.538 0.139) 4.112 7.855 ( -1.427 2.804 -3.615) 4.792 8.321 ( 0.804 -6.962 -0.320) 7.016 8.440 ( -0.301 -2.517 -0.459) 2.576 8.785 ( -0.449 -9.267 0.435) 9.288 10.804 ( 0.561 17.482 -0.021) 17.491 11.207 ( -0.214 4.606 -0.291) 4.620 17.998 ( 0.117 1.962 -0.224) 1.979 18.188 ( 0.329 -4.358 0.445) 4.392 19.103 ( 0.243 2.895 -0.312) 2.922 19.180 ( -0.308 0.072 -0.208) 0.379 38.799 ( 0.044 1.869 0.013) 1.870 38.880 ( 0.110 -0.749 -0.118) 0.766 61.861 ( -0.533 0.386 -0.304) 0.725 62.740 ( 1.224 -29.069 -0.595) 29.101 ======================= Grid point 329 (169/252) ======================= q-point: (-0.40 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.313 ( 2.998 -0.802 2.229) 3.821 2.655 ( -0.659 -13.137 -5.180) 14.136 2.833 ( -9.455 -2.062 0.659) 9.700 3.013 ( -0.186 -3.847 -5.050) 6.351 3.766 ( 5.165 0.759 3.951) 6.547 4.020 ( 3.315 -7.281 0.260) 8.004 4.342 ( 9.241 6.832 -1.568) 11.599 4.425 ( 11.528 10.161 -2.033) 15.501 4.859 ( -0.431 1.354 -0.187) 1.433 5.137 ( 0.073 -6.959 -6.239) 9.346 5.251 ( -0.914 5.315 3.282) 6.313 5.652 ( -0.219 -2.292 0.477) 2.351 6.544 ( 0.674 -0.891 7.113) 7.200 6.711 ( -0.038 -3.077 4.069) 5.102 7.355 ( 2.966 4.169 -1.373) 5.298 7.400 ( 1.655 1.597 0.258) 2.314 7.848 ( 2.104 3.068 -2.990) 4.773 8.301 ( -2.873 -8.415 -1.006) 8.949 8.379 ( -5.803 -1.603 0.310) 6.028 8.712 ( -6.671 -9.560 0.414) 11.665 10.717 ( -9.412 16.844 -0.267) 19.297 11.109 ( -9.906 4.587 -0.142) 10.917 17.998 ( -0.007 2.048 -0.252) 2.064 18.195 ( 0.312 -4.513 0.266) 4.532 19.125 ( 2.168 2.984 -0.437) 3.714 19.193 ( 1.733 0.354 -0.060) 1.770 38.815 ( 1.614 1.623 0.021) 2.289 38.888 ( 0.915 -0.768 -0.130) 1.202 61.854 ( -0.092 1.418 -0.165) 1.431 62.726 ( -2.616 -28.310 -0.889) 28.444 ======================= Grid point 330 (170/252) ======================= q-point: (-0.30 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.392 ( 4.133 0.818 2.828) 5.075 2.600 ( -4.601 -10.326 -1.260) 11.375 2.663 ( -6.010 6.371 -2.596) 9.134 3.009 ( 1.752 -4.706 -8.345) 9.739 3.894 ( 6.208 1.211 3.478) 7.218 4.093 ( 4.776 -3.539 -0.340) 5.954 4.558 ( 12.118 5.169 0.496) 13.184 4.661 ( 11.574 11.866 0.126) 16.576 4.839 ( -0.198 4.482 -0.593) 4.525 5.125 ( 1.359 -8.310 -6.896) 10.884 5.242 ( -1.019 6.508 3.749) 7.579 5.647 ( -0.329 -3.206 -0.665) 3.291 6.529 ( -4.510 1.838 2.991) 5.715 6.771 ( 4.892 -5.863 4.795) 9.017 7.367 ( -5.168 2.896 1.783) 6.187 7.435 ( 2.607 -0.737 -1.718) 3.208 7.912 ( 5.361 1.946 -2.730) 6.323 8.204 ( -7.567 -3.050 0.647) 8.184 8.259 ( -4.358 -5.755 -0.145) 7.220 8.594 ( -4.283 -9.694 0.569) 10.613 10.471 ( -15.611 15.038 -0.911) 21.695 10.848 ( -17.271 3.673 0.321) 17.660 17.996 ( -0.052 1.996 -0.274) 2.015 18.201 ( 0.208 -4.737 -0.085) 4.742 19.180 ( 3.844 3.149 -0.772) 5.029 19.240 ( 3.035 0.796 0.255) 3.148 38.856 ( 2.625 1.210 0.032) 2.891 38.917 ( 2.346 -0.710 -0.093) 2.453 61.854 ( 0.063 2.976 -0.041) 2.977 62.627 ( -7.703 -24.118 -1.125) 25.343 ======================= Grid point 331 (171/252) ======================= q-point: (-0.20 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.470 ( 1.293 1.330 2.731) 3.302 2.498 ( -3.377 5.623 2.157) 6.905 2.593 ( -1.430 4.497 -4.934) 6.828 3.010 ( 1.811 -4.618 -10.661) 11.758 4.007 ( 4.655 3.682 1.193) 6.054 4.191 ( 5.010 -3.125 2.922) 6.588 4.689 ( -4.338 14.431 -3.020) 15.369 4.776 ( 10.028 0.790 0.419) 10.068 4.987 ( 11.888 7.766 1.615) 14.291 5.125 ( 0.830 -6.668 -7.237) 9.876 5.267 ( 2.490 10.230 6.037) 12.136 5.632 ( -0.829 -3.832 -2.401) 4.598 6.427 ( -6.298 4.085 0.114) 7.507 6.859 ( 0.056 -9.331 3.801) 10.076 7.185 ( -11.534 0.016 1.922) 11.693 7.387 ( -9.665 -5.153 0.023) 10.953 7.989 ( 2.945 -0.404 -2.133) 3.659 8.109 ( 0.062 3.850 0.790) 3.930 8.268 ( 5.116 -5.815 0.062) 7.746 8.597 ( 4.390 -7.778 1.139) 9.004 10.152 ( -17.021 11.514 -2.241) 20.671 10.493 ( -19.482 1.446 1.380) 19.584 17.995 ( 0.035 1.776 -0.230) 1.791 18.201 ( -0.034 -4.914 -0.535) 4.944 19.257 ( 4.333 2.965 -1.329) 5.416 19.304 ( 3.422 1.180 0.665) 3.681 38.906 ( 2.470 1.140 0.012) 2.720 38.978 ( 3.896 -1.149 0.000) 4.062 61.856 ( 0.250 4.276 0.024) 4.284 62.432 ( -12.160 -16.402 -0.934) 20.439 ======================= Grid point 332 (172/252) ======================= q-point: (-0.10 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.429 ( -2.035 8.250 2.395) 8.829 2.527 ( 1.141 9.675 1.240) 9.821 2.562 ( -0.255 5.879 -2.662) 6.459 3.003 ( 1.849 -3.950 -12.160) 12.918 4.073 ( 2.025 5.584 0.561) 5.966 4.294 ( 3.743 -1.769 4.632) 6.212 4.575 ( -4.899 12.845 -4.879) 14.587 4.934 ( 6.041 -1.941 0.372) 6.356 5.104 ( 0.266 -4.969 -5.713) 7.576 5.195 ( 9.414 8.962 0.390) 13.004 5.366 ( 4.371 14.141 7.128) 16.428 5.588 ( -2.983 -3.054 -4.023) 5.865 6.301 ( -6.387 5.987 -1.723) 8.923 6.767 ( -6.093 -5.221 0.858) 8.069 6.990 ( -14.772 -6.173 2.224) 16.164 7.201 ( -4.489 -8.518 4.115) 10.471 8.024 ( 1.435 0.329 0.143) 1.479 8.153 ( 2.646 3.889 -0.526) 4.733 8.440 ( 11.705 -2.573 0.535) 11.996 8.723 ( 6.561 -5.107 0.355) 8.322 9.835 ( -14.555 7.588 -3.777) 16.843 10.179 ( -13.119 -2.571 2.603) 13.620 17.996 ( 0.146 1.386 -0.122) 1.399 18.195 ( -0.334 -4.890 -0.922) 4.988 19.318 ( 2.352 2.690 -1.241) 3.782 19.370 ( 3.138 0.993 0.302) 3.305 38.946 ( 1.616 1.334 0.039) 2.095 39.049 ( 3.173 -2.003 0.003) 3.752 61.869 ( 1.253 4.518 0.137) 4.691 62.196 ( -11.410 -7.138 -0.343) 13.463 ======================= Grid point 333 (173/252) ======================= q-point: ( 0.00 0.46 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.564 ( 0.370 4.889 1.029) 5.009 2.613 ( 1.506 -0.249 0.530) 1.616 2.777 ( 1.296 9.753 -2.209) 10.083 2.919 ( 1.616 -5.242 -6.483) 8.492 4.214 ( 1.307 5.592 0.631) 5.777 4.305 ( 1.244 -3.600 1.899) 4.256 4.677 ( -4.245 9.347 -8.066) 13.056 4.843 ( -2.071 -7.915 -10.010) 12.928 5.140 ( 3.095 3.516 0.776) 4.748 5.257 ( 1.670 -7.923 -0.484) 8.112 5.637 ( -0.558 7.309 1.436) 7.470 5.654 ( 0.359 5.505 4.765) 7.290 6.376 ( -0.585 9.001 -0.819) 9.057 6.562 ( -0.737 -9.830 -0.269) 9.861 6.812 ( -2.278 5.111 4.372) 7.101 6.955 ( -2.511 -9.679 5.191) 11.266 8.103 ( 1.002 3.662 0.441) 3.822 8.177 ( 0.382 -3.127 -0.028) 3.150 8.636 ( 2.063 3.935 0.322) 4.455 8.721 ( 1.292 -4.131 -0.138) 4.331 9.777 ( -1.018 7.017 -1.607) 7.270 9.922 ( -0.624 -7.735 0.638) 7.787 18.035 ( -0.074 2.724 -0.511) 2.773 18.100 ( -0.233 -3.949 -0.764) 4.029 19.379 ( -0.057 1.854 -0.559) 1.937 19.404 ( 0.326 -0.825 -0.367) 0.960 38.994 ( 0.010 1.944 0.035) 1.944 39.036 ( 0.067 -2.300 -0.012) 2.301 61.963 ( 0.011 3.215 0.167) 3.220 62.018 ( -0.466 -2.471 0.043) 2.515 ======================= Grid point 334 (174/252) ======================= q-point: ( 0.10 0.46 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.549 ( -2.294 5.668 0.644) 6.149 2.621 ( -1.058 -1.739 0.559) 2.111 2.807 ( 2.862 8.364 -2.501) 9.187 2.926 ( 1.702 -4.053 -6.802) 8.099 4.180 ( -5.937 7.409 0.175) 9.496 4.283 ( -4.354 -2.726 2.480) 5.704 4.622 ( 1.675 4.591 -6.558) 8.179 4.763 ( -1.310 -9.468 -9.304) 13.338 5.168 ( -1.044 4.958 0.621) 5.105 5.271 ( -2.124 -4.750 1.521) 5.421 5.589 ( -3.589 6.188 0.280) 7.159 5.616 ( -5.231 3.868 3.419) 7.349 6.405 ( 2.104 8.618 0.827) 8.910 6.585 ( 2.190 -9.057 1.369) 9.418 6.923 ( 11.478 1.740 3.183) 12.038 7.007 ( 7.843 -6.325 3.396) 10.632 8.095 ( -2.135 2.921 -0.269) 3.628 8.160 ( -1.989 -2.981 -0.257) 3.593 8.539 ( -9.347 5.063 -0.032) 10.630 8.651 ( -7.727 -5.825 0.044) 9.677 9.936 ( 16.348 8.388 -1.039) 18.404 10.090 ( 16.471 -7.327 0.471) 18.033 18.032 ( -0.019 2.581 -0.439) 2.618 18.094 ( -0.087 -3.771 -0.588) 3.817 19.353 ( -2.384 2.211 -0.516) 3.292 19.385 ( -2.163 -1.129 -0.363) 2.466 38.976 ( -1.907 1.809 0.020) 2.628 39.013 ( -2.358 -1.990 -0.019) 3.085 61.964 ( 0.334 4.454 0.055) 4.467 62.055 ( 3.690 -4.984 0.066) 6.201 ======================= Grid point 335 (175/252) ======================= q-point: ( 0.20 0.46 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.490 ( -3.879 5.841 0.045) 7.013 2.582 ( -2.935 -3.492 0.403) 4.579 2.855 ( 2.905 5.298 -3.246) 6.859 2.935 ( 1.825 -2.920 -6.576) 7.423 4.022 ( -9.528 7.199 0.364) 11.948 4.157 ( -9.431 -5.889 1.085) 11.172 4.666 ( 4.155 1.936 -4.914) 6.720 4.756 ( 2.864 -7.202 -6.450) 10.084 5.085 ( -8.338 6.021 1.081) 10.341 5.138 ( -12.350 2.231 3.743) 13.096 5.519 ( -4.812 3.673 1.229) 6.177 5.555 ( -0.144 -1.229 -0.580) 1.367 6.437 ( 0.781 7.418 3.268) 8.143 6.606 ( -1.341 -9.842 4.160) 10.769 7.211 ( 16.668 2.068 1.157) 16.836 7.263 ( 15.025 -3.151 0.757) 15.371 8.024 ( -3.965 4.032 -1.476) 5.845 8.112 ( -2.231 -4.350 -0.880) 4.967 8.382 ( -6.376 4.011 -0.103) 7.534 8.498 ( -6.730 -7.197 0.516) 9.867 10.304 ( 21.341 10.378 -0.445) 23.735 10.464 ( 21.409 -6.075 0.135) 22.255 18.032 ( 0.110 2.602 -0.315) 2.624 18.093 ( 0.121 -3.696 -0.288) 3.709 19.292 ( -3.654 2.423 -0.449) 4.407 19.327 ( -3.629 -1.215 -0.302) 3.839 38.930 ( -2.725 1.459 -0.004) 3.091 38.957 ( -3.204 -1.308 -0.037) 3.461 61.974 ( 0.525 6.479 -0.073) 6.500 62.135 ( 4.327 -10.183 -0.073) 11.064 ======================= Grid point 336 (176/252) ======================= q-point: ( 0.30 0.46 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.409 ( -4.346 5.542 -0.867) 7.096 2.523 ( -3.061 -5.916 -0.781) 6.707 2.888 ( 1.921 3.206 -3.352) 5.021 2.952 ( 2.239 -3.413 -4.974) 6.435 3.859 ( -7.525 4.372 1.497) 8.831 3.970 ( -9.681 -6.556 0.456) 11.701 4.690 ( -3.440 1.811 -2.561) 4.655 4.731 ( -6.968 -0.887 -4.407) 8.293 4.915 ( -8.220 3.599 2.165) 9.230 4.942 ( -2.569 -0.268 -0.855) 2.721 5.457 ( -2.346 5.918 0.724) 6.407 5.558 ( 0.191 -4.602 0.317) 4.617 6.465 ( 0.726 4.949 5.258) 7.257 6.582 ( -2.501 -6.858 5.701) 9.262 7.439 ( 3.765 2.446 0.090) 4.491 7.464 ( 6.040 -0.243 -0.179) 6.047 7.992 ( 1.279 4.366 -3.039) 5.471 8.105 ( 2.265 -6.673 -1.888) 7.295 8.316 ( 0.379 4.335 0.810) 4.426 8.449 ( 1.746 -8.707 0.572) 8.899 10.689 ( 18.701 11.347 -0.140) 21.875 10.847 ( 18.244 -4.835 -0.079) 18.874 18.034 ( 0.266 2.708 -0.168) 2.726 18.097 ( 0.277 -3.681 -0.006) 3.691 19.221 ( -3.432 2.354 -0.361) 4.177 19.255 ( -3.622 -1.161 -0.277) 3.814 38.880 ( -2.361 1.342 -0.031) 2.717 38.903 ( -2.334 -0.933 -0.081) 2.515 61.977 ( -0.205 8.223 -0.138) 8.227 62.205 ( 2.900 -15.270 -0.194) 15.545 ======================= Grid point 337 (177/252) ======================= q-point: ( 0.40 0.46 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.328 ( -3.508 4.684 -1.621) 6.072 2.464 ( -2.492 -9.065 -2.521) 9.734 2.908 ( 1.312 2.586 -2.454) 3.799 2.981 ( 1.881 -4.792 -2.689) 5.807 3.759 ( -3.854 1.576 2.455) 4.833 3.825 ( -5.198 -4.950 1.093) 7.260 4.497 ( -10.044 5.182 -1.555) 11.409 4.539 ( -9.873 0.298 -3.624) 10.521 4.878 ( 1.246 3.685 -1.177) 4.065 4.967 ( 2.747 -5.780 -2.761) 6.969 5.429 ( -1.234 7.686 1.591) 7.945 5.562 ( -0.079 -5.872 1.506) 6.063 6.498 ( 0.303 2.846 6.702) 7.288 6.571 ( -0.576 -4.387 6.671) 8.005 7.430 ( -2.044 4.144 -1.090) 4.748 7.482 ( -2.294 -0.818 -0.233) 2.447 7.986 ( -0.887 6.110 -4.052) 7.385 8.138 ( 1.194 -8.891 -2.735) 9.379 8.404 ( 6.283 4.941 1.221) 8.086 8.543 ( 6.056 -8.916 0.854) 10.812 10.975 ( 10.927 11.322 -0.041) 15.735 11.122 ( 10.360 -3.785 -0.176) 11.031 18.040 ( 0.316 2.812 -0.060) 2.830 18.103 ( 0.325 -3.686 0.164) 3.704 19.168 ( -1.982 2.061 -0.302) 2.875 19.197 ( -2.265 -0.996 -0.273) 2.489 38.846 ( -1.249 1.557 -0.066) 1.997 38.871 ( -1.028 -1.042 -0.117) 1.469 61.968 ( -0.544 9.486 -0.156) 9.503 62.243 ( 1.341 -18.855 -0.245) 18.904 ======================= Grid point 338 (178/252) ======================= q-point: (-0.50 0.46 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.281 ( -0.623 3.113 -1.199) 3.394 2.419 ( -0.991 -11.086 -3.115) 11.557 2.910 ( -0.578 2.292 -1.985) 3.087 2.981 ( -1.314 -4.568 -1.929) 5.130 3.732 ( 0.494 2.103 2.673) 3.436 3.804 ( 2.016 -5.358 2.224) 6.141 4.392 ( -0.032 4.445 -3.108) 5.424 4.421 ( 0.474 1.827 -3.993) 4.417 4.895 ( 0.867 3.527 -1.871) 4.086 4.992 ( 1.010 -6.724 -3.435) 7.618 5.418 ( -0.794 8.523 2.569) 8.937 5.566 ( -0.278 -6.403 2.240) 6.789 6.526 ( 0.360 2.979 7.154) 7.758 6.604 ( 0.933 -4.569 6.790) 8.237 7.400 ( -0.234 3.362 -1.486) 3.684 7.436 ( -1.647 -0.019 -0.287) 1.671 7.954 ( -0.533 7.630 -4.021) 8.641 8.135 ( -0.132 -10.462 -3.067) 10.903 8.479 ( 0.178 5.071 1.090) 5.190 8.612 ( -0.206 -8.306 0.929) 8.360 11.083 ( 0.321 11.040 -0.056) 11.045 11.221 ( 0.082 -3.215 -0.208) 3.223 18.045 ( 0.211 2.910 -0.045) 2.918 18.109 ( 0.270 -3.744 0.183) 3.758 19.149 ( 0.117 1.801 -0.292) 1.829 19.173 ( -0.095 -0.784 -0.255) 0.830 38.834 ( 0.014 1.673 -0.083) 1.676 38.861 ( 0.026 -1.176 -0.130) 1.184 61.961 ( -0.038 10.229 -0.150) 10.230 62.258 ( 0.494 -20.446 -0.306) 20.454 ======================= Grid point 339 (179/252) ======================= q-point: (-0.40 0.46 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.301 ( 2.863 1.414 0.240) 3.203 2.409 ( 0.907 -9.967 -2.055) 10.217 2.865 ( -3.143 3.484 -2.263) 5.209 2.939 ( -1.198 -3.890 -3.676) 5.485 3.803 ( 5.564 3.196 2.533) 6.899 3.889 ( 5.688 -5.772 1.450) 8.233 4.471 ( 9.150 5.779 -2.921) 11.210 4.533 ( 11.276 0.590 -2.513) 11.568 4.902 ( 0.929 3.017 -2.022) 3.749 4.985 ( 0.079 -6.173 -4.398) 7.580 5.411 ( -1.085 8.775 2.900) 9.305 5.563 ( -0.848 -6.597 2.086) 6.971 6.566 ( 0.958 2.884 6.749) 7.402 6.638 ( 0.282 -4.127 5.614) 6.973 7.412 ( 1.801 2.003 -1.233) 2.963 7.429 ( 0.504 0.485 0.364) 0.789 7.947 ( 1.360 7.276 -3.682) 8.267 8.116 ( -0.797 -9.694 -3.018) 10.184 8.412 ( -7.116 4.376 1.190) 8.438 8.537 ( -7.339 -8.188 1.024) 11.043 10.987 ( -10.164 10.785 -0.167) 14.821 11.123 ( -10.226 -3.188 -0.195) 10.714 18.047 ( 0.038 3.021 -0.134) 3.024 18.114 ( 0.155 -3.887 0.048) 3.891 19.170 ( 2.237 1.718 -0.342) 2.842 19.192 ( 2.079 -0.567 -0.201) 2.164 38.846 ( 1.268 1.500 -0.065) 1.965 38.871 ( 1.041 -1.099 -0.116) 1.518 61.966 ( 0.507 10.367 -0.135) 10.380 62.258 ( -0.498 -19.872 -0.406) 19.882 ======================= Grid point 340 (180/252) ======================= q-point: (-0.30 0.46 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.380 ( 4.835 0.031 1.511) 5.066 2.435 ( 2.185 -5.949 -0.392) 6.349 2.803 ( -1.911 6.917 -3.301) 7.899 2.918 ( 0.513 -5.098 -5.288) 7.363 3.938 ( 7.431 3.208 1.496) 8.231 4.011 ( 6.587 -4.277 0.356) 7.862 4.658 ( 9.741 5.851 -2.536) 11.642 4.769 ( 12.199 -3.210 -1.249) 12.676 4.922 ( 2.099 5.204 -2.031) 5.967 5.001 ( 4.828 -3.358 -3.962) 7.091 5.401 ( -0.697 8.381 2.936) 8.908 5.549 ( -1.154 -6.661 1.177) 6.862 6.582 ( -1.988 3.641 4.539) 6.149 6.666 ( 0.842 -4.951 4.970) 7.065 7.408 ( -4.877 1.556 0.766) 5.176 7.429 ( -1.468 -0.469 -0.229) 1.558 7.974 ( 2.520 4.503 -3.428) 6.195 8.085 ( -0.863 -6.838 -2.630) 7.377 8.271 ( -6.049 4.898 1.768) 7.982 8.410 ( -4.156 -8.879 1.396) 9.903 10.717 ( -17.696 10.074 -0.431) 20.367 10.850 ( -18.175 -3.467 -0.101) 18.503 18.045 ( -0.083 3.110 -0.285) 3.124 18.115 ( 0.023 -4.072 -0.205) 4.077 19.226 ( 3.742 1.664 -0.481) 4.123 19.245 ( 3.473 -0.317 -0.098) 3.489 38.880 ( 2.368 1.207 -0.027) 2.658 38.901 ( 2.282 -0.960 -0.070) 2.477 61.974 ( 0.257 9.620 -0.111) 9.624 62.230 ( -2.492 -16.934 -0.458) 17.122 ======================= Grid point 341 (181/252) ======================= q-point: (-0.20 0.46 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.472 ( 3.552 0.220 1.156) 3.742 2.492 ( 4.045 -1.696 1.185) 4.543 2.773 ( -0.122 9.074 -3.482) 9.720 2.914 ( 1.029 -5.735 -6.030) 8.385 4.072 ( 6.081 3.227 0.023) 6.885 4.132 ( 5.911 -2.951 1.058) 6.691 4.780 ( 4.793 2.800 -5.776) 8.011 4.868 ( 1.738 -4.722 -5.678) 7.587 5.012 ( 5.162 9.142 -0.220) 10.501 5.139 ( 8.027 -1.343 0.720) 8.170 5.438 ( 4.158 6.971 3.987) 9.043 5.544 ( 1.009 -4.775 0.179) 4.884 6.531 ( -4.425 6.610 2.393) 8.307 6.680 ( -1.759 -8.732 3.668) 9.633 7.217 ( -14.327 3.025 1.416) 14.711 7.292 ( -12.988 -4.561 0.865) 13.793 8.013 ( 3.037 2.922 -2.178) 4.744 8.095 ( 2.604 -4.898 -1.430) 5.729 8.281 ( 6.600 6.788 1.402) 9.571 8.437 ( 6.103 -8.574 1.500) 10.630 10.347 ( -20.508 8.403 -0.946) 22.183 10.468 ( -21.308 -3.953 0.165) 21.672 18.042 ( -0.116 3.102 -0.433) 3.135 18.113 ( -0.115 -4.187 -0.498) 4.218 19.299 ( 3.924 1.480 -0.692) 4.250 19.314 ( 3.680 -0.102 0.006) 3.681 38.930 ( 2.708 1.289 0.001) 3.000 38.955 ( 3.186 -1.266 -0.012) 3.428 61.972 ( -0.414 7.793 -0.055) 7.804 62.160 ( -4.548 -11.819 -0.340) 12.669 ======================= Grid point 342 (182/252) ======================= q-point: (-0.10 0.46 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.531 ( 2.512 3.332 0.948) 4.279 2.568 ( 3.017 -0.447 1.093) 3.239 2.768 ( 0.636 9.638 -2.693) 10.027 2.913 ( 1.304 -5.708 -6.261) 8.572 4.162 ( 3.705 4.265 -0.021) 5.649 4.239 ( 4.670 -3.473 1.534) 6.018 4.781 ( -2.119 6.733 -8.575) 11.106 4.879 ( 1.663 -4.428 -8.141) 9.416 5.075 ( 2.930 5.947 0.460) 6.645 5.231 ( 1.747 -6.523 0.968) 6.822 5.568 ( 6.175 6.123 4.962) 10.012 5.597 ( 3.638 2.335 0.766) 4.390 6.442 ( -5.172 8.458 0.389) 9.922 6.619 ( -4.758 -9.337 1.041) 10.531 6.958 ( -12.850 2.347 3.046) 13.413 7.051 ( -10.097 -6.704 3.465) 12.605 8.066 ( 2.628 3.716 -0.212) 4.556 8.147 ( 2.658 -3.781 -0.372) 4.637 8.476 ( 11.800 5.647 0.621) 13.096 8.605 ( 9.485 -6.844 0.606) 11.712 9.976 ( -17.043 6.946 -1.545) 18.469 10.098 ( -16.461 -5.542 0.517) 17.377 18.038 ( -0.100 2.951 -0.514) 2.997 18.107 ( -0.228 -4.137 -0.722) 4.205 19.358 ( 2.371 1.508 -0.667) 2.888 19.376 ( 2.651 -0.316 -0.169) 2.675 38.975 ( 1.910 1.700 0.026) 2.557 39.011 ( 2.435 -1.939 0.002) 3.113 61.963 ( -0.316 5.199 0.059) 5.209 62.070 ( -4.383 -5.953 -0.096) 7.393 ======================= Grid point 403 (183/252) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.235 ( -5.558 0.000 13.504) 14.603 1.649 ( 3.674 0.000 20.200) 20.532 1.780 ( 5.140 0.000 -10.393) 11.594 2.209 ( -3.034 0.000 -15.252) 15.551 2.662 ( 0.379 0.000 36.183) 36.185 3.452 ( -0.933 0.000 -28.701) 28.716 3.641 ( 0.195 0.000 0.578) 0.610 4.476 ( 0.201 0.000 0.180) 0.270 5.104 ( 2.857 0.000 -2.201) 3.606 5.118 ( -0.035 0.000 -1.905) 1.905 5.864 ( 0.594 0.000 0.441) 0.740 6.249 ( 7.185 0.000 2.158) 7.502 6.696 ( 0.006 0.000 1.770) 1.770 7.154 ( -5.308 0.000 -0.359) 5.320 7.302 ( -0.784 0.000 -0.152) 0.799 7.517 ( -1.977 0.000 -1.110) 2.267 7.832 ( -4.151 0.000 0.723) 4.214 7.944 ( 0.053 0.000 -0.284) 0.289 8.243 ( 0.774 0.000 1.165) 1.399 8.791 ( -0.184 0.000 -0.203) 0.274 9.028 ( 0.070 0.000 0.101) 0.122 9.958 ( 0.616 0.000 -0.900) 1.090 18.528 ( 2.241 0.000 0.039) 2.242 18.617 ( -0.047 0.000 0.076) 0.089 18.639 ( -0.006 0.000 -0.022) 0.023 19.084 ( -0.016 0.000 -0.019) 0.025 38.912 ( -0.022 0.000 -0.070) 0.074 39.241 ( -0.105 0.000 0.102) 0.147 61.670 ( 0.998 0.000 0.356) 1.059 62.170 ( -8.686 0.000 -0.322) 8.692 ======================= Grid point 404 (184/252) ======================= q-point: ( 0.10 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.620 ( 30.883 0.000 13.849) 33.847 1.820 ( 7.688 0.000 7.473) 10.721 2.075 ( 27.547 0.000 -14.127) 30.958 2.173 ( 4.098 0.000 -5.723) 7.039 2.773 ( -0.470 0.000 25.738) 25.743 3.342 ( 1.156 0.000 -17.854) 17.891 3.772 ( 12.002 0.000 -2.025) 12.172 4.490 ( 1.227 0.000 -0.306) 1.264 5.096 ( -1.625 0.000 -1.127) 1.978 5.126 ( 1.007 0.000 -4.988) 5.088 5.782 ( -10.593 0.000 -0.670) 10.615 6.133 ( -9.771 0.000 -4.044) 10.575 6.723 ( 2.372 0.000 1.087) 2.610 7.096 ( -10.543 0.000 6.406) 12.337 7.354 ( 6.331 0.000 0.882) 6.392 7.593 ( 12.875 0.000 -1.318) 12.942 7.927 ( -1.863 0.000 -0.251) 1.879 8.092 ( 23.858 0.000 5.919) 24.581 8.331 ( 9.163 0.000 -0.433) 9.174 8.733 ( -5.170 0.000 0.147) 5.172 9.047 ( 1.401 0.000 -0.015) 1.402 9.942 ( -0.984 0.000 -1.900) 2.140 18.404 ( -9.823 0.000 -2.389) 10.109 18.643 ( 0.363 0.000 -0.002) 0.363 18.670 ( 1.659 0.000 0.037) 1.659 19.086 ( 0.233 0.000 0.019) 0.234 38.884 ( -2.518 0.000 0.096) 2.520 39.177 ( -6.108 0.000 0.499) 6.128 61.702 ( 10.552 0.000 -3.579) 11.142 62.715 ( 49.261 0.000 9.355) 50.141 ======================= Grid point 405 (185/252) ======================= q-point: ( 0.20 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.961 ( 7.880 0.000 -8.100) 11.301 2.205 ( 23.052 0.000 11.273) 25.660 2.323 ( 9.951 0.000 7.923) 12.720 2.449 ( 10.416 0.000 -17.190) 20.099 2.947 ( 16.419 0.000 11.583) 20.094 3.434 ( 13.384 0.000 -4.623) 14.159 4.037 ( 15.756 0.000 -1.068) 15.792 4.518 ( 1.891 0.000 -0.877) 2.084 5.051 ( -2.830 0.000 -0.305) 2.846 5.127 ( 1.350 0.000 -4.070) 4.288 5.521 ( -13.342 0.000 0.104) 13.342 6.011 ( -3.665 0.000 -2.980) 4.724 6.794 ( 4.905 0.000 0.452) 4.926 6.895 ( -11.530 0.000 4.795) 12.487 7.501 ( 8.510 0.000 2.142) 8.776 7.696 ( -1.666 0.000 -0.924) 1.905 7.864 ( -4.973 0.000 -0.142) 4.975 8.569 ( 14.433 0.000 1.336) 14.495 8.626 ( -5.706 0.000 0.287) 5.713 8.628 ( 25.985 0.000 3.761) 26.255 9.067 ( 0.513 0.000 0.005) 0.513 9.946 ( 3.498 0.000 -4.124) 5.408 18.208 ( -9.048 0.000 -2.840) 9.484 18.652 ( 0.587 0.000 0.015) 0.587 18.676 ( -0.667 0.000 0.772) 1.020 19.093 ( 0.395 0.000 0.053) 0.398 38.837 ( -2.412 0.000 0.786) 2.537 39.051 ( -6.605 0.000 0.919) 6.668 61.986 ( 18.676 0.000 -7.747) 20.219 63.741 ( 49.947 0.000 11.287) 51.207 ======================= Grid point 406 (186/252) ======================= q-point: ( 0.30 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.077 ( 7.564 0.000 -9.132) 11.858 2.361 ( -3.928 0.000 -9.693) 10.459 2.546 ( 9.550 0.000 8.694) 12.915 2.617 ( 12.070 0.000 3.409) 12.542 3.319 ( 16.105 0.000 6.498) 17.366 3.763 ( 19.549 0.000 -4.012) 19.956 4.326 ( 14.274 0.000 0.732) 14.292 4.550 ( 1.829 0.000 -1.467) 2.344 4.994 ( -3.009 0.000 0.411) 3.036 5.152 ( 1.970 0.000 -2.203) 2.955 5.358 ( -2.912 0.000 0.308) 2.929 5.923 ( -5.255 0.000 -2.398) 5.776 6.712 ( -9.221 0.000 3.054) 9.714 6.912 ( 7.570 0.000 0.038) 7.570 7.594 ( -7.117 0.000 -1.045) 7.193 7.678 ( 8.737 0.000 2.735) 9.155 7.733 ( -8.967 0.000 0.090) 8.967 8.538 ( -3.545 0.000 0.227) 3.552 8.812 ( 10.076 0.000 0.363) 10.082 9.013 ( 13.309 0.000 4.761) 14.135 9.067 ( -0.354 0.000 0.061) 0.359 10.058 ( 9.497 0.000 -5.294) 10.873 18.061 ( -5.547 0.000 -2.119) 5.938 18.663 ( -0.882 0.000 0.916) 1.272 18.663 ( 0.584 0.000 0.022) 0.584 19.101 ( 0.407 0.000 0.071) 0.413 38.793 ( -2.871 0.000 0.849) 2.994 38.964 ( -2.651 0.000 1.276) 2.942 62.282 ( 14.711 0.000 -7.531) 16.527 64.558 ( 32.027 0.000 9.091) 33.292 ======================= Grid point 407 (187/252) ======================= q-point: ( 0.40 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.164 ( 3.884 0.000 -5.148) 6.448 2.228 ( -5.829 0.000 -7.488) 9.489 2.722 ( 6.217 0.000 5.314) 8.179 2.793 ( 5.934 0.000 3.372) 6.825 3.577 ( 9.552 0.000 1.732) 9.707 4.026 ( 8.485 0.000 -2.051) 8.729 4.554 ( 8.707 0.000 2.316) 9.009 4.571 ( 0.866 0.000 -1.712) 1.919 4.950 ( -1.546 0.000 0.528) 1.634 5.168 ( 0.841 0.000 -0.973) 1.286 5.422 ( 8.270 0.000 -1.297) 8.371 5.787 ( -8.453 0.000 -1.493) 8.584 6.581 ( -5.165 0.000 1.670) 5.428 7.076 ( 9.576 0.000 -0.105) 9.577 7.460 ( -6.002 0.000 -0.221) 6.006 7.538 ( -11.224 0.000 0.439) 11.233 7.834 ( 6.156 0.000 2.512) 6.648 8.494 ( -1.264 0.000 0.024) 1.264 8.937 ( 3.433 0.000 -0.008) 3.433 9.059 ( -0.481 0.000 0.102) 0.492 9.204 ( 6.449 0.000 2.790) 7.027 10.212 ( 6.975 0.000 -3.406) 7.762 17.981 ( -2.535 0.000 -1.178) 2.796 18.652 ( -0.497 0.000 0.724) 0.878 18.673 ( 0.362 0.000 0.018) 0.363 19.107 ( 0.262 0.000 0.064) 0.270 38.742 ( -2.294 0.000 0.342) 2.319 38.951 ( 0.300 0.000 1.119) 1.158 62.468 ( 7.113 0.000 -5.136) 8.774 65.023 ( 15.564 0.000 4.727) 16.266 ======================= Grid point 408 (188/252) ======================= q-point: (-0.50 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.106 ( -5.665 0.000 1.055) 5.762 2.168 ( -2.759 0.000 -0.182) 2.765 2.812 ( 1.966 0.000 1.291) 2.352 2.884 ( 3.561 0.000 -1.944) 4.057 3.684 ( 1.737 0.000 -1.565) 2.338 4.077 ( -2.385 0.000 1.481) 2.807 4.570 ( -0.328 0.000 -1.076) 1.125 4.648 ( -0.091 0.000 2.781) 2.782 4.944 ( 0.880 0.000 -0.496) 1.010 5.188 ( 1.678 0.000 -2.274) 2.826 5.573 ( 0.022 0.000 -1.465) 1.465 5.620 ( -1.409 0.000 -0.026) 1.409 6.540 ( 0.554 0.000 0.462) 0.721 7.214 ( -1.063 0.000 0.459) 1.158 7.381 ( 0.584 0.000 0.364) 0.688 7.389 ( -1.454 0.000 1.635) 2.188 7.908 ( 0.600 0.000 1.400) 1.524 8.484 ( 0.183 0.000 -0.227) 0.292 8.961 ( -0.482 0.000 0.427) 0.644 9.054 ( -0.023 0.000 0.116) 0.118 9.290 ( 2.424 0.000 -0.817) 2.558 10.260 ( -1.639 0.000 -0.476) 1.707 17.951 ( -0.458 0.000 -0.283) 0.538 18.650 ( 0.018 0.000 0.493) 0.493 18.676 ( 0.009 0.000 0.004) 0.010 19.110 ( 0.013 0.000 0.037) 0.039 38.721 ( 0.071 0.000 0.103) 0.126 38.967 ( 0.913 0.000 -0.144) 0.924 62.508 ( -1.518 0.000 -1.884) 2.419 65.207 ( 3.714 0.000 -0.959) 3.836 ======================= Grid point 409 (189/252) ======================= q-point: (-0.40 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.030 ( -4.689 0.000 11.612) 12.523 2.058 ( -9.556 0.000 5.179) 10.870 2.806 ( -2.208 0.000 -2.881) 3.630 2.904 ( -0.332 0.000 -7.589) 7.596 3.631 ( -6.736 0.000 -2.637) 7.233 3.957 ( -11.106 0.000 3.652) 11.691 4.554 ( -1.107 0.000 -0.055) 1.108 4.570 ( -8.615 0.000 1.401) 8.728 4.976 ( 2.755 0.000 -1.965) 3.384 5.201 ( 0.333 0.000 -3.962) 3.976 5.416 ( -7.089 0.000 -1.190) 7.189 5.738 ( 5.266 0.000 3.419) 6.279 6.605 ( 6.270 0.000 -0.725) 6.312 7.060 ( -10.200 0.000 1.494) 10.309 7.421 ( 3.745 0.000 3.646) 5.227 7.543 ( 10.962 0.000 -0.043) 10.962 7.865 ( -5.032 0.000 -0.564) 5.063 8.499 ( 1.595 0.000 -0.462) 1.661 8.924 ( -4.172 0.000 1.220) 4.347 9.059 ( 0.428 0.000 0.113) 0.443 9.290 ( -1.330 0.000 -5.518) 5.676 10.146 ( -10.323 0.000 2.982) 10.745 17.960 ( 1.392 0.000 0.805) 1.608 18.656 ( 0.479 0.000 0.331) 0.582 18.673 ( -0.347 0.000 -0.015) 0.347 19.108 ( -0.242 0.000 -0.002) 0.242 38.746 ( 2.568 0.000 -0.064) 2.569 38.982 ( 1.091 0.000 -1.801) 2.106 62.400 ( -9.712 0.000 1.432) 9.817 65.159 ( -7.331 0.000 -8.461) 11.195 ======================= Grid point 410 (190/252) ======================= q-point: (-0.30 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.865 ( -13.299 0.000 11.179) 17.374 2.013 ( -3.529 0.000 21.341) 21.631 2.712 ( -5.627 0.000 -7.271) 9.195 2.778 ( -10.654 0.000 -10.260) 14.791 3.377 ( -22.120 0.000 4.385) 22.550 3.735 ( -9.729 0.000 -4.761) 10.832 4.354 ( -13.757 0.000 -1.085) 13.799 4.530 ( -1.568 0.000 0.551) 1.662 5.027 ( 3.428 0.000 -2.834) 4.447 5.151 ( -4.258 0.000 -1.867) 4.649 5.371 ( 3.412 0.000 -1.282) 3.645 5.828 ( 2.572 0.000 6.856) 7.323 6.762 ( 10.556 0.000 -2.017) 10.747 6.891 ( -8.071 0.000 2.075) 8.334 7.539 ( 6.401 0.000 4.476) 7.811 7.732 ( -7.886 0.000 -2.540) 8.285 7.734 ( 8.828 0.000 -0.074) 8.828 8.546 ( 3.750 0.000 -0.617) 3.801 8.792 ( -10.865 0.000 1.987) 11.045 9.067 ( 0.285 0.000 0.115) 0.307 9.176 ( -9.140 0.000 -11.208) 14.463 9.944 ( -10.660 0.000 6.380) 12.423 18.014 ( 3.961 0.000 2.444) 4.654 18.664 ( -0.576 0.000 -0.032) 0.576 18.669 ( 0.644 0.000 0.308) 0.713 19.102 ( -0.402 0.000 -0.036) 0.403 38.807 ( 3.480 0.000 -0.486) 3.514 39.004 ( 2.637 0.000 -2.690) 3.767 62.165 ( -15.648 0.000 3.795) 16.101 64.839 ( -22.782 0.000 -18.371) 29.267 ======================= Grid point 411 (191/252) ======================= q-point: (-0.20 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.671 ( -11.775 0.000 17.542) 21.128 2.013 ( -7.910 0.000 25.705) 26.894 2.424 ( -22.008 0.000 -11.120) 24.657 2.552 ( -7.502 0.000 -11.669) 13.872 2.863 ( -31.788 0.000 15.607) 35.413 3.591 ( -2.522 0.000 -15.209) 15.417 4.069 ( -14.851 0.000 -3.954) 15.368 4.502 ( -1.507 0.000 0.682) 1.655 5.070 ( -3.349 0.000 1.714) 3.762 5.078 ( 2.894 0.000 -2.940) 4.125 5.516 ( 11.386 0.000 0.873) 11.419 5.895 ( 2.074 0.000 8.030) 8.293 6.774 ( -5.195 0.000 2.378) 5.714 6.976 ( 12.858 0.000 -3.373) 13.293 7.555 ( -8.440 0.000 -2.612) 8.835 7.659 ( 2.082 0.000 2.484) 3.241 7.864 ( 4.997 0.000 -0.157) 5.000 8.531 ( -16.829 0.000 3.062) 17.106 8.635 ( 5.715 0.000 -0.631) 5.750 8.825 ( -22.794 0.000 -14.196) 26.853 9.065 ( -0.590 0.000 0.141) 0.606 9.860 ( -0.417 0.000 5.056) 5.073 18.137 ( 8.008 0.000 4.334) 9.106 18.652 ( -0.588 0.000 -0.040) 0.589 18.678 ( 0.037 0.000 0.482) 0.484 19.094 ( -0.407 0.000 -0.053) 0.411 38.857 ( 2.113 0.000 -1.112) 2.388 39.077 ( 5.782 0.000 -1.692) 6.024 61.868 ( -16.082 0.000 3.833) 16.532 64.124 ( -45.317 0.000 -27.005) 52.753 ======================= Grid point 412 (192/252) ======================= q-point: (-0.10 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.579 ( -4.790 0.000 21.933) 22.450 1.691 ( -35.119 0.000 14.606) 38.035 1.960 ( -18.055 0.000 -10.157) 20.716 2.364 ( -6.879 0.000 -15.128) 16.619 2.566 ( -6.814 0.000 32.777) 33.477 3.515 ( 1.058 0.000 -19.806) 19.834 3.792 ( -12.079 0.000 -5.752) 13.379 4.481 ( -0.832 0.000 0.529) 0.986 5.056 ( 1.173 0.000 2.053) 2.365 5.111 ( 1.580 0.000 -2.554) 3.003 5.760 ( 11.092 0.000 1.832) 11.242 6.000 ( 8.214 0.000 9.135) 12.285 6.711 ( -2.448 0.000 2.264) 3.335 7.198 ( 10.389 0.000 -4.008) 11.136 7.383 ( -8.803 0.000 -1.743) 8.973 7.590 ( -9.035 0.000 -0.917) 9.081 7.927 ( 1.959 0.000 -0.250) 1.975 8.233 ( -21.781 0.000 -6.381) 22.696 8.318 ( -15.564 0.000 -1.595) 15.646 8.740 ( 4.993 0.000 -0.507) 5.019 9.046 ( -1.420 0.000 0.177) 1.431 9.915 ( 3.520 0.000 1.150) 3.703 18.343 ( 11.628 0.000 3.939) 12.277 18.643 ( -0.372 0.000 -0.037) 0.373 18.665 ( -1.973 0.000 0.573) 2.054 19.087 ( -0.259 0.000 -0.047) 0.263 38.890 ( 1.890 0.000 -0.499) 1.955 39.186 ( 5.270 0.000 -0.341) 5.281 61.652 ( -5.831 0.000 1.564) 6.038 63.003 ( -59.032 0.000 -20.658) 62.542 ======================= Grid point 413 (193/252) ======================= q-point: ( 0.00 0.08 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.339 ( -5.550 10.329 11.641) 16.522 1.745 ( 2.274 8.291 20.743) 22.454 1.848 ( 5.711 6.589 -6.946) 11.148 2.284 ( -3.202 7.205 -16.892) 18.642 2.841 ( 1.591 17.373 28.734) 33.615 3.514 ( -1.870 7.173 -24.773) 25.858 3.679 ( 0.256 3.957 0.525) 4.000 4.481 ( 0.321 1.224 0.456) 1.345 5.121 ( -0.017 0.562 -1.412) 1.520 5.170 ( 2.459 5.730 -2.554) 6.738 5.833 ( 1.171 -3.461 1.065) 3.806 6.096 ( 15.964 -27.283 8.807) 32.814 6.267 ( -15.100 -8.255 -4.496) 17.787 7.261 ( -0.201 -2.797 -0.362) 2.828 7.476 ( -3.015 -16.412 3.059) 16.964 7.555 ( 5.879 -0.222 -2.745) 6.492 7.733 ( -7.785 27.808 -3.324) 29.068 8.170 ( -1.543 9.791 0.741) 9.939 8.267 ( 1.686 5.165 0.449) 5.452 8.740 ( -0.326 -3.875 -0.218) 3.895 9.030 ( -0.177 0.267 -0.108) 0.338 10.026 ( 0.871 6.002 -0.532) 6.088 18.410 ( 2.915 -9.300 2.675) 10.107 18.515 ( -2.358 -5.041 -1.627) 5.798 18.801 ( 0.877 9.639 -1.279) 9.763 19.151 ( 0.381 5.546 -0.037) 5.559 38.913 ( -0.041 0.094 -0.058) 0.118 39.232 ( -0.085 -0.844 0.090) 0.853 61.680 ( 0.937 1.109 0.345) 1.492 62.158 ( -7.204 -1.119 -0.113) 7.292 ======================= Grid point 414 (194/252) ======================= q-point: ( 0.10 0.08 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.668 ( 27.362 4.976 12.802) 30.615 1.926 ( 9.066 8.952 12.501) 17.850 2.125 ( 23.310 4.472 -10.353) 25.895 2.218 ( 3.515 5.360 -10.726) 12.495 2.949 ( 0.529 16.881 18.472) 25.029 3.405 ( 0.565 7.389 -14.106) 15.934 3.794 ( 10.461 2.229 -1.396) 10.786 4.490 ( 0.522 0.854 -0.316) 1.050 5.100 ( -1.673 0.438 -1.145) 2.074 5.192 ( 1.391 5.864 -4.379) 7.450 5.752 ( -11.937 -4.070 -1.760) 12.734 5.934 ( -7.367 -17.106 -1.330) 18.673 6.532 ( 16.482 -10.481 3.712) 19.882 7.174 ( -9.873 -6.991 -0.092) 12.098 7.353 ( -2.263 3.759 2.479) 5.040 7.632 ( 3.557 2.892 -0.839) 4.660 7.864 ( 10.590 -1.579 2.664) 11.034 8.284 ( 14.463 15.305 2.486) 21.204 8.377 ( 8.634 4.117 -1.007) 9.618 8.674 ( -4.777 -5.304 -0.194) 7.141 9.047 ( 1.173 0.455 0.344) 1.304 10.015 ( -0.780 6.603 -1.901) 6.915 18.338 ( -7.886 -6.204 -2.081) 10.247 18.525 ( 1.519 -6.119 1.764) 6.547 18.802 ( -0.321 7.993 -1.434) 8.127 19.146 ( -0.731 5.082 -0.399) 5.150 38.886 ( -2.454 0.183 0.114) 2.463 39.170 ( -5.991 -0.698 0.437) 6.048 61.707 ( 9.234 0.501 -3.162) 9.773 62.669 ( 46.078 -4.570 8.200) 47.025 ======================= Grid point 415 (195/252) ======================= q-point: ( 0.20 0.08 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.088 ( 8.259 10.356 -12.803) 18.422 2.214 ( 22.659 1.151 11.980) 25.657 2.290 ( 5.870 -0.484 11.476) 12.899 2.537 ( 15.531 6.589 -13.729) 21.751 3.082 ( 12.726 13.278 7.116) 19.720 3.476 ( 10.151 5.249 -3.184) 11.863 4.034 ( 14.597 -0.531 0.187) 14.608 4.496 ( 0.405 -0.745 -0.884) 1.225 5.050 ( -3.220 -0.163 -1.050) 3.391 5.208 ( 2.041 7.044 -3.058) 7.946 5.493 ( -11.820 -3.662 -0.756) 12.397 5.866 ( -1.976 -11.400 -1.646) 11.686 6.716 ( 2.001 -8.233 2.719) 8.898 7.013 ( -5.089 8.370 0.474) 9.807 7.373 ( 2.067 -7.333 2.546) 8.033 7.647 ( -1.707 -3.898 -0.230) 4.261 7.996 ( 0.913 7.682 0.342) 7.744 8.508 ( 0.596 -6.266 4.176) 7.553 8.570 ( 11.800 0.044 -0.619) 11.817 8.759 ( 18.669 6.822 -0.371) 19.880 9.058 ( -0.182 0.607 0.850) 1.060 10.023 ( 3.587 7.316 -3.672) 8.937 18.174 ( -7.714 -3.214 -2.518) 8.728 18.551 ( 0.608 -5.609 1.507) 5.840 18.785 ( -0.921 6.486 -0.569) 6.576 19.130 ( -0.694 3.393 -0.222) 3.471 38.839 ( -2.430 0.220 0.709) 2.541 39.045 ( -6.583 -0.555 0.834) 6.659 61.963 ( 17.134 -2.215 -6.920) 18.611 63.635 ( 47.666 -10.543 10.120) 49.856 ======================= Grid point 416 (196/252) ======================= q-point: ( 0.30 0.08 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.170 ( 5.660 5.792 -13.399) 15.656 2.381 ( 0.382 5.229 0.939) 5.327 2.601 ( 14.102 3.548 9.317) 17.270 2.683 ( 7.331 7.237 -1.744) 10.448 3.380 ( 12.615 6.782 5.519) 15.349 3.743 ( 17.123 -1.733 -4.443) 17.774 4.314 ( 13.909 -2.295 1.509) 14.177 4.501 ( 0.457 -2.642 -0.669) 2.763 4.977 ( -3.838 -1.500 -1.268) 4.312 5.242 ( 1.200 7.425 -1.676) 7.706 5.347 ( -2.095 -1.547 0.031) 2.604 5.817 ( -3.076 -9.096 -1.452) 9.711 6.670 ( -5.682 -4.174 2.523) 7.488 7.001 ( 2.327 6.845 0.491) 7.246 7.422 ( 1.695 -12.458 1.424) 12.654 7.587 ( -4.305 -1.757 -0.877) 4.732 7.919 ( -6.490 7.088 1.013) 9.664 8.511 ( -0.453 -2.383 1.031) 2.636 8.786 ( 9.765 -2.612 0.500) 10.120 9.040 ( 3.334 -2.333 -0.674) 4.125 9.108 ( 10.490 9.162 3.342) 14.323 10.133 ( 9.053 7.495 -4.396) 12.548 18.047 ( -4.865 -1.353 -1.903) 5.397 18.562 ( 0.157 -5.162 1.064) 5.273 18.769 ( -0.605 5.611 -0.070) 5.644 19.120 ( -0.271 1.871 -0.085) 1.893 38.794 ( -2.886 0.150 0.786) 2.995 38.957 ( -2.707 -0.624 1.150) 3.007 62.237 ( 13.670 -4.433 -6.861) 15.925 64.420 ( 31.171 -13.875 8.248) 35.103 ======================= Grid point 417 (197/252) ======================= q-point: ( 0.40 0.08 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.181 ( -0.955 0.242 -6.696) 6.768 2.367 ( 0.069 14.753 -4.781) 15.508 2.811 ( 5.352 2.325 2.647) 6.407 2.829 ( 7.577 9.639 5.986) 13.644 3.581 ( 7.430 0.558 2.156) 7.757 3.978 ( 7.969 -4.809 -2.939) 9.760 4.503 ( 1.937 -6.455 -0.321) 6.747 4.544 ( 7.072 -0.778 2.028) 7.398 4.905 ( -2.902 -3.797 -1.290) 4.950 5.223 ( -0.880 3.821 -1.362) 4.151 5.426 ( 8.200 0.349 -0.848) 8.251 5.728 ( -6.179 -5.237 -0.360) 8.108 6.580 ( -3.814 0.019 1.664) 4.162 7.071 ( 4.395 -1.171 0.510) 4.576 7.426 ( -2.286 -8.497 0.586) 8.818 7.479 ( -5.723 0.980 -0.952) 5.884 7.845 ( -1.374 -0.030 2.062) 2.478 8.498 ( -0.941 0.110 0.298) 0.993 8.915 ( 3.891 -2.447 0.363) 4.611 9.074 ( 1.615 0.971 -0.305) 1.909 9.283 ( 6.134 8.559 1.932) 10.705 10.283 ( 6.801 7.274 -2.831) 10.352 17.976 ( -2.258 -0.460 -1.075) 2.542 18.566 ( 0.021 -4.895 0.697) 4.945 18.761 ( -0.213 5.137 0.067) 5.142 19.117 ( -0.058 0.964 -0.018) 0.966 38.743 ( -2.292 0.129 0.338) 2.321 38.943 ( 0.231 -0.788 1.007) 1.299 62.410 ( 6.616 -5.737 -4.723) 9.949 64.873 ( 15.241 -15.202 4.313) 21.955 ======================= Grid point 418 (198/252) ======================= q-point: (-0.50 0.08 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.111 ( -4.586 0.942 0.950) 4.777 2.334 ( -3.194 15.771 -0.479) 16.098 2.891 ( 2.821 1.454 -1.358) 3.452 2.939 ( 2.798 11.902 1.108) 12.277 3.668 ( 1.254 -2.000 -0.260) 2.375 4.025 ( -2.024 -5.297 0.341) 5.681 4.520 ( 0.299 -5.156 0.011) 5.165 4.620 ( -0.379 -2.522 1.299) 2.862 4.875 ( 0.256 -6.122 -0.710) 6.169 5.220 ( 1.214 2.524 -2.605) 3.825 5.569 ( -2.812 -4.684 -0.052) 5.464 5.603 ( 2.224 2.119 -0.451) 3.105 6.553 ( 0.666 1.500 0.374) 1.683 7.128 ( -0.540 -6.974 0.960) 7.061 7.360 ( -0.553 -1.964 0.479) 2.096 7.427 ( -1.073 1.579 0.975) 2.143 7.852 ( 0.640 -4.485 1.151) 4.675 8.489 ( 0.218 0.280 -0.102) 0.369 8.949 ( -0.263 -1.874 0.588) 1.982 9.088 ( -0.173 2.613 -0.147) 2.623 9.362 ( 2.070 7.990 -0.906) 8.303 10.333 ( -1.446 7.463 -0.309) 7.608 17.949 ( -0.408 -0.152 -0.271) 0.513 18.569 ( 0.085 -4.757 0.389) 4.773 18.760 ( -0.019 4.974 0.085) 4.975 19.117 ( -0.026 0.628 0.023) 0.629 38.722 ( 0.073 0.139 0.106) 0.190 38.957 ( 0.810 -0.968 -0.118) 1.268 62.448 ( -1.408 -6.023 -1.728) 6.422 65.050 ( 3.396 -15.851 -0.889) 16.235 ======================= Grid point 419 (199/252) ======================= q-point: (-0.40 0.08 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.025 ( -6.781 1.451 8.765) 11.177 2.243 ( -6.848 15.920 6.635) 18.556 2.899 ( -0.942 3.503 -5.541) 6.622 2.939 ( -2.423 9.012 -5.143) 10.655 3.625 ( -5.688 -0.706 -0.964) 5.812 3.914 ( -9.899 -4.234 2.329) 11.015 4.503 ( -3.037 -5.175 0.281) 6.008 4.554 ( -5.780 -1.179 0.350) 5.910 4.906 ( 3.204 -6.290 -1.033) 7.135 5.244 ( 2.186 3.452 -3.295) 5.249 5.418 ( -7.405 -0.481 -0.261) 7.425 5.710 ( 3.772 -2.371 1.562) 4.721 6.606 ( 4.875 0.255 -0.927) 4.969 7.061 ( -4.977 -0.526 1.407) 5.199 7.427 ( 0.476 -3.681 1.516) 4.009 7.435 ( 5.740 -4.557 2.285) 7.677 7.873 ( 1.969 -0.409 -0.614) 2.103 8.504 ( 1.266 0.307 -0.375) 1.356 8.910 ( -4.407 -1.981 0.963) 4.927 9.069 ( -1.624 0.750 0.110) 1.793 9.353 ( -2.092 6.998 -4.821) 8.752 10.227 ( -9.670 8.125 2.682) 12.912 17.957 ( 1.243 -0.252 0.704) 1.450 18.573 ( 0.180 -4.707 0.093) 4.711 18.761 ( 0.122 5.087 0.110) 5.089 19.116 ( -0.020 0.806 0.074) 0.809 38.747 ( 2.550 0.124 -0.066) 2.554 38.970 ( 0.977 -1.128 -1.574) 2.169 62.348 ( -9.003 -5.221 1.336) 10.493 64.997 ( -7.860 -16.427 -7.651) 19.752 ======================= Grid point 420 (200/252) ======================= q-point: (-0.30 0.08 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.896 ( -11.185 3.016 14.052) 18.211 2.167 ( -4.967 14.565 15.929) 22.148 2.785 ( -11.761 3.455 -9.334) 15.407 2.814 ( -5.141 6.572 -9.463) 12.616 3.406 ( -20.263 3.388 5.739) 21.330 3.725 ( -7.098 -0.526 -5.184) 8.805 4.337 ( -12.774 -2.425 -0.265) 13.005 4.496 ( -1.366 -1.659 -0.489) 2.204 4.978 ( 4.524 -4.251 -1.290) 6.341 5.246 ( -2.457 7.969 -1.829) 8.538 5.346 ( 1.521 -3.318 0.172) 3.654 5.758 ( 1.013 -5.572 4.072) 6.975 6.715 ( 6.419 -4.491 -2.043) 8.096 6.990 ( -2.682 7.935 1.468) 8.504 7.440 ( 0.166 -10.699 0.002) 10.700 7.544 ( 4.497 -3.913 3.137) 6.736 7.941 ( 5.270 7.025 -1.090) 8.850 8.526 ( 1.145 -1.958 -0.500) 2.322 8.777 ( -10.446 -2.135 1.504) 10.768 9.035 ( -2.295 -2.845 -0.118) 3.657 9.231 ( -8.472 6.271 -9.108) 13.930 10.035 ( -10.271 8.957 5.553) 14.715 18.005 ( 3.463 -0.863 2.161) 4.172 18.576 ( 0.154 -4.671 -0.276) 4.682 18.766 ( 0.335 5.501 0.221) 5.516 19.117 ( 0.106 1.503 0.189) 1.519 38.807 ( 3.412 0.050 -0.453) 3.442 38.993 ( 2.634 -1.133 -2.291) 3.671 62.131 ( -14.467 -3.459 3.493) 15.279 64.671 ( -23.350 -16.835 -16.158) 33.011 ======================= Grid point 421 (201/252) ======================= q-point: (-0.20 0.08 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.738 ( -10.795 5.856 19.236) 22.822 2.129 ( -9.033 10.766 20.613) 24.948 2.433 ( -21.232 1.907 -10.785) 23.890 2.638 ( -9.341 6.588 -13.351) 17.576 2.961 ( -25.357 10.573 14.061) 30.862 3.624 ( -1.194 4.183 -12.835) 13.552 4.073 ( -13.710 0.264 -3.498) 14.151 4.478 ( -0.584 -0.935 0.648) 1.279 5.055 ( 3.832 -1.671 -1.364) 4.398 5.174 ( -3.656 8.497 0.387) 9.259 5.454 ( 8.378 -7.209 3.790) 11.684 5.797 ( 1.767 -6.888 4.330) 8.326 6.765 ( -2.499 -6.718 -1.909) 7.418 7.013 ( 6.061 6.362 0.133) 8.788 7.427 ( -1.014 -6.978 -2.435) 7.460 7.625 ( 2.749 -3.325 2.032) 4.769 8.001 ( -0.777 8.202 -0.206) 8.242 8.530 ( -9.979 -0.962 1.975) 10.218 8.577 ( 0.389 -5.030 -0.877) 5.121 8.841 ( -19.169 0.716 -8.445) 20.959 9.089 ( -1.605 3.945 -3.075) 5.253 9.939 ( -1.653 7.629 5.149) 9.351 18.110 ( 6.610 -2.501 3.897) 8.070 18.575 ( -0.090 -4.685 -0.852) 4.763 18.775 ( 0.494 6.491 0.397) 6.522 19.123 ( 0.427 2.736 0.412) 2.800 38.857 ( 2.130 0.002 -0.965) 2.338 39.067 ( 5.839 -0.917 -1.374) 6.069 61.857 ( -14.736 -1.103 3.498) 15.186 63.965 ( -44.471 -15.452 -22.724) 52.277 ======================= Grid point 422 (202/252) ======================= q-point: (-0.10 0.08 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.648 ( -8.959 6.729 20.861) 23.680 1.801 ( -29.304 9.589 14.462) 34.057 1.996 ( -16.078 3.939 -8.884) 18.786 2.430 ( -6.200 6.820 -13.622) 16.447 2.750 ( -4.627 17.334 23.542) 29.599 3.573 ( 1.245 6.689 -16.455) 17.806 3.818 ( -11.092 2.760 -5.595) 12.727 4.476 ( -0.070 0.410 0.963) 1.049 5.107 ( 2.063 0.273 -1.171) 2.388 5.140 ( 0.226 6.810 0.350) 6.823 5.676 ( 12.417 -11.232 7.228) 18.237 5.860 ( 3.836 -8.637 4.319) 10.391 6.601 ( -13.767 -8.814 -2.797) 16.584 7.177 ( 9.411 -7.714 -0.523) 12.179 7.403 ( 0.618 3.442 -2.318) 4.195 7.617 ( -4.799 1.757 0.538) 5.139 7.924 ( -4.970 -0.204 -2.977) 5.797 8.334 ( -8.338 6.207 1.918) 10.570 8.389 ( -21.022 9.795 -7.184) 24.280 8.678 ( 5.877 -5.404 -0.560) 8.003 9.057 ( -1.820 1.547 -0.784) 2.514 9.979 ( 3.186 5.958 1.939) 7.029 18.273 ( 8.416 -5.932 4.383) 11.190 18.561 ( -1.127 -5.108 -1.675) 5.492 18.787 ( 0.706 8.531 0.079) 8.561 19.137 ( 0.798 4.344 0.530) 4.448 38.891 ( 1.919 0.137 -0.427) 1.971 39.177 ( 5.272 -0.833 -0.251) 5.344 61.661 ( -5.109 0.945 1.465) 5.398 62.909 ( -54.761 -8.890 -16.518) 57.885 ======================= Grid point 423 (203/252) ======================= q-point: ( 0.00 0.15 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.602 ( -5.492 15.993 7.603) 18.540 1.920 ( 0.677 9.495 23.435) 25.295 2.012 ( 5.281 10.102 -5.018) 12.455 2.441 ( -1.638 7.687 -23.868) 25.129 3.256 ( 2.718 23.353 18.425) 29.870 3.745 ( -5.567 13.759 -11.068) 18.515 3.810 ( 2.225 12.879 -3.600) 13.556 4.561 ( 0.415 7.919 2.073) 8.197 5.127 ( 0.264 -0.335 -1.080) 1.161 5.286 ( 0.952 4.640 -1.668) 5.022 5.551 ( 5.824 -22.460 6.402) 24.070 5.766 ( -0.474 -5.870 -1.579) 6.097 6.160 ( -3.226 -6.080 -2.220) 7.232 7.120 ( -2.014 -16.159 1.315) 16.337 7.180 ( -0.735 -5.491 -0.390) 5.553 7.622 ( 1.119 4.360 -1.184) 4.654 7.946 ( -2.865 -1.457 -0.091) 3.215 8.256 ( 2.158 -1.282 0.027) 2.510 8.551 ( -0.110 17.737 -0.973) 17.764 8.708 ( -1.024 1.372 -0.541) 1.795 9.060 ( -0.598 4.204 -1.375) 4.463 10.145 ( 1.118 5.474 0.408) 5.602 18.230 ( 1.365 -8.693 2.405) 9.122 18.424 ( -1.263 -4.445 -1.540) 4.871 18.984 ( 0.248 8.911 -1.444) 9.031 19.257 ( 0.758 4.999 -0.165) 5.059 38.916 ( -0.071 0.271 -0.027) 0.281 39.209 ( -0.040 -1.576 0.058) 1.577 61.713 ( 0.796 2.230 0.308) 2.387 62.133 ( -4.436 -1.335 0.111) 4.634 ======================= Grid point 424 (204/252) ======================= q-point: ( 0.10 0.15 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.805 ( 18.492 8.846 10.789) 23.165 2.089 ( 7.935 7.563 22.496) 25.025 2.234 ( 16.253 7.148 -9.734) 20.248 2.373 ( 6.293 8.767 -21.283) 23.863 3.342 ( 0.726 21.517 7.422) 22.772 3.663 ( 0.013 18.980 -1.826) 19.067 3.863 ( 5.139 5.779 -2.268) 8.059 4.563 ( -0.703 7.563 0.702) 7.628 5.107 ( -1.811 0.031 -1.478) 2.338 5.302 ( 1.477 3.617 -1.871) 4.332 5.498 ( -8.398 -18.179 -3.300) 20.295 5.737 ( -1.679 -4.477 0.230) 4.787 6.341 ( 13.949 -10.123 1.240) 17.280 6.977 ( 0.111 -9.554 1.016) 9.608 7.373 ( 5.833 -2.107 2.528) 6.697 7.642 ( -4.679 -1.815 -0.091) 5.019 7.857 ( 5.332 0.333 1.611) 5.580 8.396 ( 7.121 -4.648 -1.168) 8.584 8.579 ( -6.174 6.347 2.181) 9.119 8.630 ( 5.715 8.319 -2.494) 10.396 9.097 ( 3.304 5.946 0.506) 6.821 10.155 ( 0.765 6.992 -1.495) 7.191 18.199 ( -4.325 -7.318 -0.824) 8.540 18.423 ( 0.977 -4.651 1.154) 4.891 18.960 ( -2.029 8.003 -1.077) 8.326 19.246 ( -1.592 4.828 -0.932) 5.169 38.892 ( -2.261 0.438 0.142) 2.307 39.151 ( -5.600 -1.260 0.285) 5.747 61.724 ( 6.106 1.301 -2.275) 6.645 62.554 ( 37.972 -6.884 5.676) 39.006 ======================= Grid point 425 (205/252) ======================= q-point: ( 0.20 0.15 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.164 ( 11.115 -0.072 -0.073) 11.116 2.328 ( 8.859 4.700 16.538) 19.341 2.351 ( 11.839 8.818 -5.754) 15.844 2.668 ( 19.267 6.304 -11.576) 23.344 3.404 ( 7.245 18.720 -0.531) 20.080 3.690 ( 1.395 17.787 2.315) 17.991 4.007 ( 9.943 -2.171 1.842) 10.343 4.543 ( -1.463 5.974 0.152) 6.152 5.045 ( -4.006 -0.176 -2.701) 4.835 5.333 ( -1.089 -5.121 -1.025) 5.335 5.341 ( -2.671 -2.746 -2.652) 4.659 5.698 ( -2.313 -4.807 -0.304) 5.343 6.500 ( 3.979 -12.452 1.354) 13.142 7.091 ( 5.666 -0.303 1.369) 5.837 7.341 ( -8.283 2.446 2.379) 8.958 7.555 ( 0.289 -5.220 -0.261) 5.235 8.074 ( 5.800 0.395 1.283) 5.953 8.369 ( -2.682 -8.123 2.318) 8.863 8.576 ( 6.201 0.041 -1.172) 6.311 8.831 ( 11.561 0.302 -2.023) 11.740 9.177 ( 5.850 12.129 1.933) 13.604 10.196 ( 5.071 9.870 -2.673) 11.414 18.100 ( -4.964 -4.091 -1.704) 6.654 18.448 ( 0.818 -5.074 1.666) 5.402 18.914 ( -2.194 6.750 -0.587) 7.121 19.204 ( -2.249 3.895 -0.700) 4.551 38.846 ( -2.467 0.538 0.539) 2.582 39.031 ( -6.395 -0.823 0.608) 6.477 61.910 ( 13.027 -2.961 -5.044) 14.280 63.363 ( 41.106 -16.802 7.395) 45.019 ======================= Grid point 426 (206/252) ======================= q-point: ( 0.30 0.15 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.220 ( 1.536 1.214 -9.285) 9.489 2.527 ( 7.570 5.769 4.507) 10.531 2.679 ( 17.126 3.469 10.712) 20.496 2.876 ( 7.785 12.374 -8.145) 16.735 3.584 ( 7.106 13.160 1.751) 15.058 3.738 ( 5.299 3.671 -2.103) 6.781 4.210 ( 9.495 -7.355 2.609) 12.291 4.521 ( -0.688 4.046 0.976) 4.219 4.942 ( -5.256 -1.892 -4.630) 7.255 5.251 ( -2.136 -7.987 -1.098) 8.341 5.387 ( 2.805 5.237 0.072) 5.941 5.658 ( -1.745 -5.659 -0.021) 5.922 6.559 ( 1.908 -6.607 1.969) 7.153 7.086 ( -4.990 0.474 2.181) 5.466 7.250 ( -1.378 -4.586 1.715) 5.087 7.568 ( -0.370 -0.192 -2.542) 2.576 7.968 ( -10.074 -1.296 0.969) 10.203 8.456 ( 4.146 -3.344 1.961) 5.676 8.714 ( 8.124 -4.808 -0.409) 9.449 8.980 ( 5.811 -3.647 -1.266) 6.976 9.356 ( 10.875 15.905 1.720) 19.343 10.327 ( 9.144 11.859 -2.784) 15.231 18.015 ( -3.317 -1.767 -1.386) 4.006 18.464 ( 0.345 -5.034 1.298) 5.210 18.879 ( -1.340 5.735 -0.214) 5.894 19.165 ( -1.594 2.541 -0.406) 3.027 38.799 ( -2.923 0.429 0.628) 3.021 38.943 ( -2.814 -0.758 0.836) 3.031 62.124 ( 10.733 -6.907 -5.231) 13.794 64.051 ( 28.170 -23.418 6.219) 37.156 ======================= Grid point 427 (207/252) ======================= q-point: ( 0.40 0.15 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.199 ( -1.061 1.809 -4.751) 5.193 2.643 ( 4.297 8.632 -2.310) 9.915 2.954 ( 3.027 15.232 -2.364) 15.708 3.013 ( 13.751 6.969 9.698) 18.213 3.623 ( -1.250 5.086 1.083) 5.349 3.852 ( 4.980 -7.752 -3.385) 9.816 4.345 ( 3.748 -9.305 1.648) 10.166 4.533 ( 1.298 -0.795 1.710) 2.289 4.831 ( -4.144 -2.796 -5.165) 7.188 5.229 ( -0.470 -4.877 -0.273) 4.908 5.452 ( 4.442 3.055 -1.268) 5.539 5.627 ( -2.082 -4.559 1.673) 5.284 6.586 ( 0.507 0.635 1.994) 2.153 7.012 ( -3.139 -4.956 1.642) 6.092 7.264 ( 2.330 -6.543 0.182) 6.948 7.500 ( -5.576 -0.012 -1.482) 5.770 7.827 ( -4.549 -1.026 0.754) 4.724 8.486 ( -0.316 -1.517 1.044) 1.869 8.836 ( 4.255 -5.744 0.104) 7.149 9.075 ( 4.381 -1.232 -0.749) 4.612 9.533 ( 6.726 16.855 0.870) 18.169 10.480 ( 6.769 12.532 -1.741) 14.349 17.965 ( -1.582 -0.519 -0.817) 1.855 18.472 ( 0.143 -4.929 0.845) 5.003 18.861 ( -0.533 5.160 -0.047) 5.188 19.142 ( -0.786 1.454 -0.200) 1.664 38.748 ( -2.261 0.439 0.314) 2.325 38.925 ( 0.020 -1.029 0.730) 1.262 62.260 ( 5.186 -9.350 -3.677) 11.306 64.461 ( 14.000 -26.573 3.290) 30.215 ======================= Grid point 428 (208/252) ======================= q-point: (-0.50 0.15 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.151 ( -3.107 3.194 0.541) 4.489 2.663 ( -1.647 12.992 -1.959) 13.242 2.977 ( 0.049 11.001 -0.098) 11.002 3.233 ( 5.596 16.629 3.166) 17.828 3.591 ( -1.306 -5.791 0.311) 5.945 3.876 ( -1.181 -10.161 -1.393) 10.324 4.384 ( 0.413 -8.411 0.994) 8.479 4.558 ( 0.337 -4.802 0.531) 4.843 4.763 ( -1.341 -3.305 -2.806) 4.538 5.230 ( 0.947 -3.544 -1.272) 3.883 5.498 ( -1.463 -0.401 -0.562) 1.618 5.615 ( 1.856 -1.568 0.688) 2.526 6.605 ( 1.118 3.939 0.320) 4.107 6.981 ( -0.560 -8.029 1.525) 8.191 7.309 ( -0.217 -3.167 0.099) 3.176 7.405 ( -1.411 -3.577 0.816) 3.931 7.792 ( 0.234 -1.200 0.376) 1.279 8.485 ( 0.369 -0.857 0.207) 0.955 8.874 ( -0.194 -5.826 0.385) 5.842 9.116 ( -0.114 -0.251 -0.453) 0.531 9.608 ( 1.223 17.150 -0.703) 17.208 10.536 ( -1.001 12.975 -0.073) 13.013 17.947 ( -0.284 -0.060 -0.242) 0.378 18.476 ( 0.152 -4.854 0.423) 4.875 18.856 ( 0.004 4.996 -0.015) 4.996 19.133 ( -0.111 1.000 -0.012) 1.006 38.727 ( 0.074 0.476 0.106) 0.493 38.934 ( 0.567 -1.330 -0.067) 1.448 62.289 ( -1.131 -9.939 -1.325) 10.091 64.619 ( 2.620 -27.931 -0.725) 28.063 ======================= Grid point 429 (209/252) ======================= q-point: (-0.40 0.15 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.084 ( -5.415 4.598 6.068) 9.343 2.578 ( -6.994 15.050 4.478) 17.189 2.957 ( -1.911 5.382 -3.182) 6.538 3.192 ( -8.237 12.668 -7.522) 16.880 3.612 ( 1.334 0.407 3.228) 3.516 3.810 ( -5.112 -5.601 0.287) 7.589 4.364 ( -3.376 -8.817 0.546) 9.457 4.545 ( -1.306 0.031 -1.179) 1.759 4.774 ( 3.101 -6.086 0.788) 6.876 5.243 ( 0.088 -5.337 -0.967) 5.424 5.439 ( -2.477 4.353 -0.443) 5.028 5.657 ( 1.262 -3.562 -1.010) 3.912 6.621 ( 0.477 1.380 -1.540) 2.123 7.013 ( 3.358 -4.785 1.587) 6.057 7.260 ( -1.820 -6.789 0.433) 7.042 7.455 ( 3.036 0.684 2.965) 4.298 7.840 ( 5.172 -2.272 -0.422) 5.665 8.499 ( 0.665 -1.092 -0.290) 1.311 8.831 ( -4.718 -6.102 0.710) 7.746 9.069 ( -4.406 -1.254 -0.237) 4.587 9.573 ( -4.300 15.600 -3.035) 16.464 10.442 ( -8.727 13.491 1.940) 16.184 17.952 ( 0.877 -0.209 0.457) 1.011 18.481 ( 0.221 -4.833 -0.030) 4.839 18.861 ( 0.512 5.227 -0.029) 5.252 19.137 ( 0.512 1.270 0.230) 1.388 38.752 ( 2.475 0.414 -0.065) 2.510 38.943 ( 0.777 -1.494 -1.059) 1.989 62.210 ( -7.054 -8.557 1.103) 11.144 64.555 ( -8.588 -28.324 -5.745) 30.150 ======================= Grid point 430 (210/252) ======================= q-point: (-0.30 0.15 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.985 ( -8.319 6.268 11.794) 15.735 2.465 ( -7.520 13.057 10.525) 18.380 2.845 ( -11.062 3.481 -5.184) 12.703 2.955 ( -9.479 4.865 -14.529) 18.017 3.525 ( -13.553 9.173 6.535) 17.622 3.766 ( 1.742 6.633 -3.207) 7.571 4.253 ( -7.916 -5.353 -1.023) 9.611 4.516 ( -1.069 3.536 -0.127) 3.697 4.876 ( 6.569 -6.311 1.931) 9.312 5.225 ( -1.144 -8.035 2.134) 8.392 5.408 ( -1.659 7.481 -2.180) 7.966 5.663 ( 0.666 -4.307 -0.362) 4.373 6.602 ( -1.791 -6.423 -2.432) 7.097 7.105 ( 5.393 2.063 0.230) 5.779 7.275 ( 2.806 -5.023 -0.698) 5.796 7.505 ( 1.020 -0.415 3.807) 3.963 7.986 ( 9.996 -1.725 -0.778) 10.173 8.477 ( -3.921 -3.151 -0.194) 5.034 8.698 ( -9.258 -5.740 1.307) 10.971 8.971 ( -5.487 -3.693 -0.567) 6.638 9.429 ( -8.754 13.979 -5.624) 17.426 10.259 ( -10.468 13.362 3.996) 17.438 17.985 ( 2.353 -1.061 1.487) 2.979 18.484 ( 0.175 -4.886 -0.632) 4.930 18.877 ( 1.295 5.952 -0.072) 6.092 19.154 ( 1.174 2.177 0.607) 2.547 38.810 ( 3.261 0.271 -0.366) 3.293 38.967 ( 2.665 -1.412 -1.441) 3.343 62.041 ( -11.244 -5.473 2.755) 12.805 64.232 ( -23.263 -27.328 -11.295) 37.624 ======================= Grid point 431 (211/252) ======================= q-point: (-0.20 0.15 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.876 ( -8.023 8.520 17.439) 21.002 2.337 ( -11.998 9.008 11.565) 18.943 2.493 ( -22.057 3.341 -5.596) 23.000 2.754 ( -7.035 4.559 -19.007) 20.774 3.266 ( -13.428 20.523 10.170) 26.550 3.788 ( 1.563 12.747 -4.730) 13.686 4.082 ( -8.420 1.611 -5.309) 10.083 4.513 ( 0.307 4.752 2.246) 5.265 5.008 ( 6.310 -3.229 0.895) 7.144 5.247 ( 2.220 -12.410 6.236) 14.065 5.342 ( -3.930 7.404 -1.087) 8.453 5.697 ( 2.746 -3.852 -0.245) 4.737 6.545 ( -3.353 -12.836 -3.204) 13.648 7.116 ( -5.919 1.826 -1.195) 6.308 7.378 ( 8.352 1.306 -1.341) 8.559 7.542 ( 2.760 -4.849 1.371) 5.746 8.090 ( -5.994 0.921 -0.291) 6.071 8.396 ( 1.504 -10.324 -0.243) 10.436 8.547 ( -5.929 -0.404 1.655) 6.169 8.834 ( -9.351 -1.147 -2.329) 9.705 9.252 ( -6.598 12.385 -5.971) 15.251 10.124 ( -4.816 10.674 4.820) 12.664 18.054 ( 4.126 -2.965 2.754) 5.780 18.480 ( -0.248 -5.066 -1.454) 5.277 18.911 ( 2.372 7.295 -0.339) 7.678 19.185 ( 1.783 3.428 1.106) 4.019 38.859 ( 2.210 0.273 -0.655) 2.321 39.045 ( 5.847 -1.263 -0.762) 6.031 61.831 ( -11.158 -1.441 2.707) 11.572 63.584 ( -40.222 -22.550 -14.286) 48.274 ======================= Grid point 432 (212/252) ======================= q-point: (-0.10 0.15 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.819 ( -6.531 10.547 17.502) 21.453 1.995 ( -25.636 9.829 11.169) 29.641 2.112 ( -11.938 7.971 -4.205) 14.958 2.577 ( -3.921 6.608 -22.038) 23.339 3.170 ( -1.967 24.858 16.455) 29.875 3.794 ( 1.025 14.447 -3.901) 15.000 3.908 ( -7.118 8.470 -10.301) 15.117 4.537 ( 0.968 6.578 3.044) 7.313 5.099 ( 3.146 -0.844 -0.752) 3.343 5.288 ( -1.108 6.812 -0.687) 6.935 5.363 ( 7.177 -17.508 10.010) 21.407 5.747 ( 2.278 -4.947 -0.458) 5.466 6.395 ( -12.804 -11.941 -3.985) 17.956 7.005 ( -0.055 -7.841 -1.717) 8.027 7.419 ( -6.761 -2.336 -1.780) 7.371 7.628 ( 1.599 -0.780 1.047) 2.064 7.897 ( -2.430 -1.875 -2.004) 3.666 8.363 ( -8.057 -4.222 1.927) 9.299 8.589 ( 3.200 1.445 1.162) 3.698 8.658 ( -2.045 9.946 -5.113) 11.368 9.133 ( -4.903 7.379 -3.486) 9.521 10.111 ( 1.100 6.864 3.124) 7.622 18.153 ( 4.717 -6.007 3.507) 8.404 18.460 ( -1.263 -5.183 -2.197) 5.769 18.959 ( 2.592 8.705 -1.083) 9.147 19.226 ( 1.983 4.512 1.111) 5.053 38.896 ( 1.905 0.383 -0.295) 1.965 39.155 ( 5.141 -1.419 -0.095) 5.335 61.688 ( -3.253 1.900 1.220) 3.960 62.703 ( -44.054 -11.367 -9.288) 46.435 ======================= Grid point 433 (213/252) ======================= q-point: ( 0.00 0.23 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.923 ( -4.709 16.560 3.782) 17.627 2.117 ( 0.408 11.222 20.063) 22.992 2.224 ( 4.061 11.281 -4.000) 12.640 2.561 ( 0.049 5.130 -24.206) 24.744 3.662 ( 0.818 17.550 8.378) 19.465 3.941 ( -1.586 9.874 -0.745) 10.028 4.252 ( -1.081 27.894 -4.231) 28.233 4.792 ( 1.117 14.459 5.854) 15.639 5.050 ( -0.776 -9.943 2.249) 10.224 5.211 ( 2.650 -5.655 1.656) 6.461 5.333 ( 1.252 -5.188 -5.813) 7.891 5.666 ( 0.477 -4.145 -0.905) 4.270 6.046 ( -0.716 -4.213 -2.020) 4.727 6.890 ( -3.355 -7.734 1.283) 8.527 7.055 ( 0.325 -7.294 -0.464) 7.316 7.655 ( 0.139 -3.647 0.569) 3.694 7.917 ( -1.128 2.334 -0.096) 2.594 8.179 ( 1.503 -5.044 0.170) 5.266 8.727 ( 3.222 1.382 0.365) 3.525 8.757 ( -3.485 2.326 -0.480) 4.217 9.230 ( -0.749 11.784 -3.040) 12.193 10.216 ( 0.938 1.559 1.206) 2.183 18.090 ( 0.569 -5.588 1.272) 5.759 18.340 ( -0.662 -4.349 -1.043) 4.521 19.136 ( -0.137 6.755 -0.964) 6.825 19.338 ( 0.763 3.313 -0.195) 3.405 38.924 ( -0.080 0.568 0.006) 0.574 39.173 ( 0.004 -2.112 0.019) 2.113 61.765 ( 0.611 3.134 0.257) 3.203 62.109 ( -2.335 -1.174 0.106) 2.616 ======================= Grid point 434 (214/252) ======================= q-point: ( 0.10 0.23 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.997 ( 8.083 10.854 8.268) 15.859 2.245 ( 5.649 9.130 18.716) 21.577 2.389 ( 12.261 8.254 -8.188) 16.897 2.515 ( 6.269 6.178 -21.536) 23.265 3.717 ( 2.442 16.145 3.632) 16.727 3.922 ( -0.039 8.234 2.616) 8.640 4.203 ( -3.188 27.817 -1.038) 28.018 4.780 ( -3.454 13.697 2.147) 14.288 5.056 ( 0.467 -9.351 2.574) 9.710 5.182 ( -4.816 -6.412 -5.401) 9.668 5.324 ( 0.433 -5.354 -2.810) 6.062 5.669 ( 0.120 -2.776 -1.233) 3.040 6.171 ( 9.459 -5.918 -0.364) 11.163 6.844 ( 6.316 -4.530 2.316) 8.111 7.285 ( 14.074 -6.506 2.041) 15.639 7.561 ( -10.062 -6.449 1.451) 12.039 7.905 ( 3.279 4.806 -0.159) 5.821 8.253 ( 2.718 -8.138 -0.893) 8.626 8.605 ( -7.706 -0.785 -0.344) 7.754 8.779 ( 1.095 3.433 -0.412) 3.627 9.294 ( 6.936 12.913 -0.127) 14.659 10.261 ( 4.072 3.662 -0.704) 5.522 18.077 ( -1.952 -4.988 -0.254) 5.362 18.338 ( 0.472 -4.352 0.549) 4.412 19.102 ( -2.902 6.573 -0.450) 7.199 19.324 ( -1.879 3.203 -1.011) 3.848 38.903 ( -1.996 0.744 0.148) 2.135 39.123 ( -4.903 -1.652 0.120) 5.175 61.758 ( 2.680 2.276 -1.416) 3.790 62.416 ( 27.815 -7.130 3.303) 28.904 ======================= Grid point 435 (215/252) ======================= q-point: ( 0.20 0.23 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.184 ( 6.363 2.554 6.574) 9.499 2.428 ( 7.746 5.698 9.030) 13.191 2.497 ( 8.233 6.295 -7.719) 12.922 2.751 ( 18.506 2.164 -10.706) 21.489 3.781 ( 3.680 19.200 0.030) 19.550 3.968 ( 3.407 -0.944 3.037) 4.661 4.121 ( -5.974 24.823 3.168) 25.728 4.701 ( -5.042 8.978 0.922) 10.338 5.039 ( -6.153 -7.337 -10.170) 13.969 5.072 ( -0.080 -6.143 2.645) 6.688 5.342 ( 1.794 -4.417 1.099) 4.892 5.656 ( -1.076 -0.650 -1.276) 1.791 6.310 ( 6.523 -5.858 1.291) 8.862 7.062 ( 8.270 -2.178 2.086) 8.803 7.348 ( -10.690 -2.990 2.257) 11.327 7.473 ( 6.098 -2.820 -0.036) 6.719 8.041 ( 3.061 -2.940 1.551) 4.519 8.215 ( 0.951 -6.891 -0.424) 6.969 8.550 ( 1.256 -3.018 -1.530) 3.609 8.809 ( 3.173 -2.092 -1.174) 3.977 9.466 ( 10.949 16.428 1.388) 19.791 10.377 ( 8.747 8.339 -1.657) 12.198 18.030 ( -2.516 -2.946 -0.924) 3.982 18.353 ( 0.649 -4.763 1.260) 4.970 19.039 ( -3.236 6.077 -0.229) 6.889 19.271 ( -3.106 2.895 -0.919) 4.344 38.860 ( -2.488 0.873 0.369) 2.662 39.015 ( -5.856 -0.862 0.328) 5.928 61.860 ( 7.736 -1.990 -3.126) 8.578 63.018 ( 31.481 -18.326 4.562) 36.711 ======================= Grid point 436 (216/252) ======================= q-point: ( 0.30 0.23 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.251 ( 1.152 2.096 -1.862) 3.031 2.599 ( 7.161 2.452 3.054) 8.162 2.707 ( 13.878 0.213 5.795) 15.040 3.041 ( 16.151 2.196 -10.259) 19.259 3.829 ( 0.481 14.405 -1.473) 14.488 3.965 ( -8.094 14.268 1.236) 16.450 4.080 ( 2.783 -3.492 6.056) 7.524 4.601 ( -6.223 2.950 1.484) 7.045 4.911 ( -2.844 -2.488 -11.422) 12.031 5.072 ( -0.694 -7.046 2.720) 7.585 5.398 ( 3.156 -4.500 2.911) 6.219 5.623 ( -1.723 1.246 -1.433) 2.564 6.454 ( 7.800 -3.428 2.456) 8.866 7.030 ( -8.279 -4.926 3.085) 10.115 7.232 ( -3.802 1.783 1.266) 4.386 7.551 ( 0.740 -2.400 -2.411) 3.482 7.922 ( -7.637 -2.206 -0.179) 7.952 8.376 ( 6.697 -4.907 2.017) 8.543 8.601 ( 5.158 -6.845 -1.354) 8.677 8.898 ( 6.480 -4.986 -1.293) 8.278 9.701 ( 12.604 19.257 1.172) 23.044 10.563 ( 10.838 11.929 -1.615) 16.198 17.985 ( -1.741 -1.146 -0.823) 2.241 18.367 ( 0.370 -4.940 1.176) 5.091 18.987 ( -2.142 5.367 -0.099) 5.779 19.211 ( -2.677 2.161 -0.635) 3.498 38.811 ( -2.927 0.805 0.440) 3.067 38.931 ( -2.836 -0.510 0.469) 2.919 61.989 ( 6.603 -6.511 -3.384) 9.872 63.554 ( 22.671 -27.172 3.984) 35.611 ======================= Grid point 437 (217/252) ======================= q-point: ( 0.40 0.23 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.248 ( -0.431 3.056 -1.751) 3.548 2.712 ( 4.485 0.915 -0.662) 4.625 3.019 ( 15.634 -4.606 7.920) 18.121 3.289 ( 13.166 10.385 -7.686) 18.446 3.737 ( -10.119 1.572 2.660) 10.580 3.801 ( -8.257 10.790 -1.499) 13.670 4.161 ( 3.909 -9.265 2.253) 10.305 4.481 ( -6.536 -4.601 0.833) 8.036 4.847 ( -0.850 4.500 -7.735) 8.989 5.074 ( 0.165 -9.054 1.657) 9.206 5.471 ( 3.369 -4.403 2.616) 6.130 5.587 ( -1.531 2.279 -1.124) 2.967 6.601 ( 6.189 0.550 3.072) 6.932 6.899 ( -5.993 -5.831 2.084) 8.617 7.200 ( 1.047 -0.215 -0.295) 1.108 7.464 ( -7.764 -3.133 -0.895) 8.420 7.825 ( -2.986 0.571 -1.244) 3.285 8.438 ( 0.958 -3.223 1.791) 3.810 8.699 ( 4.150 -8.243 -0.805) 9.263 9.018 ( 5.537 -4.756 -0.824) 7.345 9.908 ( 8.190 21.188 0.523) 22.722 10.739 ( 7.317 13.485 -0.975) 15.373 17.959 ( -0.823 -0.052 -0.517) 0.973 18.376 ( 0.199 -4.958 0.825) 5.030 18.958 ( -0.921 4.811 -0.048) 4.898 19.170 ( -1.517 1.368 -0.356) 2.073 38.761 ( -2.141 0.927 0.254) 2.347 38.907 ( -0.295 -0.771 0.414) 0.923 62.072 ( 3.102 -9.501 -2.421) 10.283 63.885 ( 11.485 -32.099 2.120) 34.158 ======================= Grid point 438 (218/252) ======================= q-point: (-0.50 0.23 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.228 ( -1.476 4.412 0.492) 4.678 2.761 ( 1.170 0.423 -2.920) 3.174 3.248 ( -1.129 1.316 2.540) 3.075 3.438 ( 5.304 10.714 7.556) 14.143 3.595 ( -9.237 -0.993 -4.358) 10.261 3.665 ( 4.948 0.278 -3.406) 6.013 4.224 ( 0.527 -7.196 0.813) 7.261 4.400 ( -0.157 -10.592 0.336) 10.598 4.806 ( -1.733 6.858 -3.190) 7.760 5.090 ( 1.080 -8.976 -0.198) 9.042 5.533 ( 1.686 -6.712 1.014) 6.994 5.557 ( -0.843 4.752 -0.643) 4.869 6.696 ( 2.287 4.887 1.009) 5.489 6.827 ( -1.505 -7.573 1.936) 7.960 7.249 ( -0.208 -2.596 -0.369) 2.630 7.337 ( -0.640 -2.337 0.443) 2.463 7.788 ( -0.538 0.200 -0.382) 0.690 8.455 ( 0.568 -2.107 0.538) 2.247 8.733 ( -0.346 -8.524 -0.170) 8.533 9.070 ( -0.137 -4.460 -0.375) 4.478 9.994 ( 0.668 21.869 -0.375) 21.882 10.804 ( -0.576 14.051 -0.032) 14.063 17.949 ( -0.141 0.383 -0.202) 0.455 18.382 ( 0.180 -4.947 0.396) 4.967 18.950 ( 0.059 4.635 -0.087) 4.636 19.153 ( -0.179 1.004 -0.050) 1.021 38.741 ( 0.064 1.013 0.090) 1.019 38.910 ( 0.317 -1.092 -0.034) 1.137 62.088 ( -0.796 -10.288 -0.826) 10.352 64.011 ( 1.748 -34.059 -0.553) 34.108 ======================= Grid point 439 (219/252) ======================= q-point: (-0.40 0.23 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.194 ( -2.994 6.362 3.094) 7.682 2.728 ( -3.921 1.782 -1.627) 4.604 3.088 ( -10.758 3.515 3.564) 11.866 3.264 ( -15.789 -6.202 -7.598) 18.588 3.705 ( 8.255 7.795 5.330) 12.542 3.815 ( 10.021 10.002 -2.103) 14.314 4.185 ( -2.665 -8.838 0.222) 9.234 4.488 ( 7.303 -6.658 -0.250) 9.885 4.754 ( -3.190 4.501 0.895) 5.589 5.104 ( 0.323 -7.143 -0.744) 7.189 5.518 ( -1.250 -2.043 -2.324) 3.337 5.575 ( 1.264 -0.225 0.301) 1.319 6.652 ( -5.760 1.279 -1.920) 6.205 6.896 ( 6.801 -6.128 2.360) 9.454 7.196 ( -0.463 -0.071 -0.055) 0.471 7.439 ( 5.990 -2.124 1.592) 6.551 7.810 ( 3.198 -0.708 0.269) 3.287 8.459 ( -0.552 -2.890 -0.319) 2.960 8.685 ( -4.874 -8.712 0.613) 10.002 9.010 ( -5.676 -4.835 -0.169) 7.458 9.931 ( -6.717 20.603 -1.692) 21.736 10.717 ( -8.509 14.143 1.151) 16.546 17.952 ( 0.459 0.241 0.180) 0.549 18.386 ( 0.197 -4.979 -0.111) 4.984 18.960 ( 1.047 4.909 -0.201) 5.024 19.162 ( 1.116 1.281 0.339) 1.733 38.765 ( 2.294 0.875 -0.055) 2.456 38.917 ( 0.701 -1.153 -0.564) 1.462 62.038 ( -4.379 -8.707 0.834) 9.782 63.946 ( -8.102 -33.671 -3.723) 34.832 ======================= Grid point 440 (220/252) ======================= q-point: (-0.30 0.23 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.134 ( -5.047 8.850 6.734) 12.212 2.617 ( -7.439 3.458 3.194) 8.804 2.885 ( -16.242 -0.760 2.864) 16.510 2.958 ( -8.085 -3.504 -15.851) 18.135 3.775 ( -1.596 16.156 3.861) 16.687 3.963 ( 3.395 8.975 1.035) 9.651 4.188 ( 4.169 1.902 -2.662) 5.299 4.598 ( 2.211 3.517 -0.265) 4.162 4.742 ( 3.582 -6.513 5.472) 9.231 5.096 ( -0.956 -3.860 0.650) 4.029 5.468 ( -2.912 -4.195 -4.134) 6.570 5.609 ( 2.187 0.838 0.110) 2.345 6.505 ( -8.029 -2.867 -2.709) 8.945 7.060 ( 9.194 -5.127 0.252) 10.530 7.250 ( 4.759 1.506 -0.475) 5.014 7.503 ( -0.547 -0.958 2.240) 2.497 7.925 ( 9.160 -3.251 -0.318) 9.725 8.395 ( -8.235 -5.295 0.082) 9.790 8.570 ( -5.979 -7.265 1.568) 9.539 8.888 ( -6.151 -5.144 -0.336) 8.025 9.748 ( -10.869 18.325 -3.462) 21.585 10.521 ( -12.007 13.018 2.583) 17.898 17.969 ( 1.232 -0.511 0.753) 1.532 18.387 ( 0.077 -5.067 -0.737) 5.121 18.990 ( 2.355 5.599 -0.428) 6.089 19.196 ( 2.185 2.045 0.853) 3.112 38.819 ( 3.096 0.640 -0.252) 3.172 38.943 ( 2.686 -1.015 -0.690) 2.953 61.934 ( -6.881 -5.150 1.913) 8.805 63.664 ( -20.186 -30.360 -6.677) 37.065 ======================= Grid point 441 (221/252) ======================= q-point: (-0.20 0.23 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.068 ( -4.812 11.238 11.338) 16.673 2.468 ( -9.817 4.771 0.774) 10.943 2.537 ( -19.712 1.285 3.325) 20.032 2.797 ( -4.070 0.544 -19.513) 19.940 3.709 ( -6.023 23.239 6.622) 24.904 3.977 ( -0.504 4.231 0.221) 4.267 4.262 ( 3.954 18.752 -7.730) 20.665 4.625 ( 1.598 4.364 7.112) 8.496 4.901 ( 9.327 -7.805 4.055) 12.820 5.079 ( -1.256 -2.335 2.008) 3.326 5.393 ( -3.018 -3.707 -3.923) 6.184 5.645 ( 1.371 -0.927 -0.048) 1.656 6.355 ( -6.748 -5.726 -3.304) 9.447 7.101 ( -8.960 -2.416 -1.677) 9.430 7.368 ( 10.067 -4.260 0.461) 10.941 7.481 ( -1.467 -0.887 -0.846) 1.912 8.065 ( -5.606 -2.609 -0.710) 6.224 8.198 ( -0.687 -9.028 1.346) 9.154 8.514 ( -0.765 -3.321 1.804) 3.856 8.802 ( -2.536 -2.315 -0.444) 3.463 9.531 ( -10.004 15.605 -5.099) 19.225 10.323 ( -9.228 9.371 3.818) 13.694 18.005 ( 2.102 -1.982 1.472) 3.242 18.381 ( -0.365 -5.139 -1.416) 5.343 19.045 ( 3.650 6.420 -0.899) 7.440 19.247 ( 2.735 2.875 1.362) 4.195 38.868 ( 2.320 0.668 -0.382) 2.444 39.021 ( 5.528 -1.191 -0.290) 5.662 61.809 ( -6.523 -0.652 1.843) 6.809 63.142 ( -31.732 -22.413 -7.496) 39.565 ======================= Grid point 442 (222/252) ======================= q-point: (-0.10 0.23 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.044 ( -2.752 12.667 11.875) 17.579 2.174 ( -17.232 8.688 4.563) 19.830 2.289 ( -9.059 9.737 1.501) 13.384 2.664 ( -1.912 3.055 -23.114) 23.394 3.646 ( -2.911 22.524 8.987) 24.424 3.966 ( -0.621 6.836 -1.124) 6.956 4.276 ( 0.823 24.944 -7.253) 25.990 4.711 ( 3.810 8.519 8.382) 12.544 5.062 ( -1.236 -5.452 2.577) 6.156 5.088 ( 8.391 -5.544 3.200) 10.554 5.340 ( -0.928 -3.132 -3.716) 4.947 5.660 ( 0.440 -3.264 -0.272) 3.304 6.197 ( -9.749 -6.904 -3.143) 12.353 6.891 ( -6.027 -4.275 -2.312) 7.743 7.322 ( -16.242 -7.216 -1.368) 17.826 7.566 ( 8.550 -5.843 0.952) 10.399 7.909 ( -1.727 3.743 -0.582) 4.163 8.227 ( -3.479 -7.912 1.615) 8.792 8.595 ( 8.109 -1.156 0.718) 8.222 8.786 ( 0.332 2.701 -1.009) 2.902 9.341 ( -8.035 12.606 -4.965) 15.752 10.221 ( -2.938 4.199 3.345) 6.120 18.054 ( 2.269 -4.018 1.907) 4.993 18.363 ( -0.956 -4.928 -1.766) 5.322 19.110 ( 3.124 6.810 -1.345) 7.612 19.303 ( 2.455 3.331 1.159) 4.297 38.907 ( 1.776 0.686 -0.182) 1.913 39.124 ( 4.693 -1.766 0.005) 5.014 61.734 ( -1.013 2.823 0.924) 3.139 62.495 ( -31.307 -9.947 -4.394) 33.142 ======================= Grid point 443 (223/252) ======================= q-point: ( 0.00 0.31 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.220 ( -2.944 13.793 1.379) 14.171 2.352 ( 0.623 12.754 12.486) 17.859 2.427 ( 2.663 9.265 -1.775) 9.802 2.658 ( 0.677 5.146 -18.216) 18.941 3.935 ( -1.342 11.208 2.553) 11.573 4.145 ( -0.848 11.124 -0.056) 11.156 4.677 ( 2.228 -1.337 3.294) 4.196 4.887 ( -0.163 15.827 3.365) 16.182 5.042 ( -1.724 -2.929 -2.830) 4.423 5.186 ( 1.817 -2.632 -5.423) 6.296 5.255 ( 1.038 10.812 3.152) 11.310 5.575 ( -0.040 -6.081 -0.798) 6.133 6.046 ( 0.162 4.248 -1.882) 4.649 6.802 ( -4.008 -1.932 1.485) 4.690 6.903 ( 1.529 -8.285 -0.589) 8.446 7.492 ( -0.747 -11.361 1.813) 11.529 8.035 ( 0.320 7.713 -0.108) 7.721 8.098 ( 0.756 -2.777 0.011) 2.878 8.684 ( 0.929 -4.030 0.330) 4.149 8.788 ( -0.744 0.525 -0.289) 0.955 9.439 ( -0.534 9.330 -2.409) 9.651 10.200 ( 0.512 -3.237 1.351) 3.545 18.015 ( 0.219 -2.300 0.443) 2.352 18.254 ( -0.366 -4.478 -0.683) 4.545 19.246 ( -0.216 4.678 -0.569) 4.717 19.386 ( 0.564 1.719 -0.153) 1.816 38.939 ( -0.063 0.978 0.029) 0.980 39.129 ( 0.033 -2.408 -0.009) 2.408 61.831 ( 0.403 3.601 0.204) 3.630 62.086 ( -1.154 -1.246 0.029) 1.699 ======================= Grid point 444 (224/252) ======================= q-point: ( 0.10 0.31 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.214 ( 0.883 11.256 4.543) 12.170 2.437 ( 3.653 10.317 11.122) 15.604 2.534 ( 7.849 6.427 -4.296) 11.017 2.628 ( 4.131 5.750 -17.145) 18.550 3.931 ( -0.518 7.284 3.837) 8.249 4.134 ( -0.262 12.818 1.680) 12.930 4.685 ( -1.918 8.322 -1.501) 8.671 4.861 ( -3.827 5.055 1.723) 6.570 4.990 ( -4.371 2.991 2.541) 5.874 5.099 ( -4.832 -7.430 -7.109) 11.362 5.288 ( 0.546 8.634 0.434) 8.662 5.603 ( 2.381 -4.493 -0.706) 5.134 6.145 ( 7.880 2.891 -0.632) 8.417 6.783 ( 7.498 -2.256 2.363) 8.179 7.140 ( 15.759 -8.029 1.269) 17.732 7.409 ( -7.401 -8.867 2.335) 11.783 8.023 ( -1.233 6.395 -0.551) 6.536 8.123 ( 0.797 -4.436 -0.934) 4.602 8.554 ( -8.400 -3.982 -0.668) 9.320 8.796 ( -1.552 -1.146 -0.260) 1.947 9.536 ( 10.206 11.665 -0.204) 15.501 10.289 ( 8.477 -0.875 -0.053) 8.522 18.010 ( -0.741 -2.037 -0.138) 2.172 18.253 ( 0.250 -4.443 0.255) 4.457 19.212 ( -2.981 4.862 -0.127) 5.704 19.370 ( -1.986 1.600 -0.794) 2.671 38.921 ( -1.785 1.081 0.121) 2.090 39.088 ( -3.998 -1.898 -0.000) 4.426 61.811 ( 0.098 3.209 -0.763) 3.300 62.284 ( 17.946 -6.516 1.711) 19.169 ======================= Grid point 445 (225/252) ======================= q-point: ( 0.20 0.31 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.264 ( 1.632 5.438 5.895) 8.185 2.537 ( 3.566 5.121 3.170) 6.999 2.611 ( 5.364 5.832 -5.680) 9.750 2.769 ( 12.847 0.298 -8.732) 15.536 3.933 ( -0.636 0.461 3.641) 3.725 4.146 ( -0.226 14.120 2.731) 14.383 4.579 ( -10.467 20.013 1.614) 22.642 4.775 ( -1.772 -10.123 -7.605) 12.785 4.851 ( -9.833 5.297 1.513) 11.271 5.061 ( 0.870 -5.971 -0.821) 6.090 5.282 ( -0.882 3.703 0.305) 3.819 5.636 ( 1.274 -1.864 -0.827) 2.405 6.281 ( 6.887 2.148 1.865) 7.451 6.998 ( 5.665 -4.930 2.184) 7.821 7.264 ( -0.174 -4.175 1.327) 4.385 7.419 ( 6.791 -3.334 1.148) 7.652 7.982 ( -4.569 -2.753 1.006) 5.429 8.133 ( 4.732 -1.324 -1.711) 5.203 8.461 ( -1.597 -5.850 -1.893) 6.352 8.747 ( -1.528 -4.457 -0.652) 4.757 9.782 ( 14.899 15.914 1.139) 21.830 10.502 ( 13.647 4.305 -0.899) 14.338 17.991 ( -0.960 -0.974 -0.427) 1.433 18.262 ( 0.449 -4.671 0.827) 4.765 19.145 ( -3.685 4.898 0.002) 6.129 19.314 ( -3.447 1.545 -0.834) 3.869 38.880 ( -2.488 1.135 0.225) 2.744 38.998 ( -4.981 -0.910 0.093) 5.064 61.842 ( 2.961 0.257 -1.667) 3.408 62.675 ( 20.842 -16.863 2.469) 26.923 ======================= Grid point 446 (226/252) ======================= q-point: ( 0.30 0.31 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.297 ( 0.119 2.416 3.261) 4.060 2.620 ( 4.825 -0.410 0.659) 4.887 2.726 ( 7.614 2.235 0.103) 7.936 2.992 ( 13.982 -5.286 -8.729) 17.310 3.941 ( 0.379 -4.307 2.727) 5.112 4.103 ( -5.195 8.875 0.581) 10.300 4.312 ( -17.511 15.277 3.614) 23.517 4.648 ( -11.688 3.797 -1.025) 12.332 4.791 ( 5.129 -6.295 -6.246) 10.244 5.062 ( -1.407 0.685 0.327) 1.599 5.285 ( 1.385 -3.772 1.756) 4.385 5.647 ( 0.279 0.387 -0.844) 0.969 6.434 ( 8.280 1.103 3.483) 9.051 6.925 ( -8.180 -5.685 3.149) 10.448 7.296 ( -2.146 4.387 0.864) 4.959 7.484 ( 0.508 -3.607 -1.568) 3.965 7.895 ( -3.275 -0.768 -1.339) 3.621 8.281 ( 7.345 -4.424 1.218) 8.661 8.454 ( 2.386 -8.166 -1.631) 8.662 8.780 ( 5.199 -7.281 -1.013) 9.004 10.077 ( 15.168 19.229 1.013) 24.512 10.763 ( 13.527 8.299 -0.937) 15.897 17.975 ( -0.598 0.104 -0.383) 0.718 18.273 ( 0.332 -4.824 0.895) 4.918 19.083 ( -2.762 4.544 0.023) 5.318 19.245 ( -3.307 1.259 -0.657) 3.599 38.830 ( -2.810 1.146 0.260) 3.046 38.923 ( -2.708 -0.342 0.168) 2.735 61.890 ( 2.517 -3.347 -1.854) 4.580 63.033 ( 15.487 -26.076 2.221) 30.410 ======================= Grid point 447 (227/252) ======================= q-point: ( 0.40 0.31 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.301 ( -0.368 1.868 1.635) 2.510 2.701 ( 3.377 -2.655 -0.955) 4.400 2.899 ( 9.700 -5.814 2.774) 11.644 3.224 ( 12.630 -10.988 -7.182) 18.216 3.925 ( -5.226 -0.144 -0.939) 5.311 3.971 ( -15.166 10.341 4.176) 18.825 4.047 ( -0.380 3.543 1.428) 3.839 4.412 ( -12.199 -0.782 -2.081) 12.400 4.881 ( 5.090 -4.063 -2.513) 6.981 5.016 ( -2.724 5.565 -0.839) 6.252 5.335 ( 2.411 -7.686 2.170) 8.343 5.645 ( -0.111 2.199 -0.654) 2.297 6.598 ( 6.712 -0.740 4.448) 8.086 6.811 ( -4.231 -3.255 2.351) 5.833 7.238 ( -2.161 3.498 -0.605) 4.156 7.419 ( -5.706 -0.565 -0.734) 5.781 7.834 ( -2.806 0.153 -2.478) 3.747 8.374 ( 2.792 -3.190 2.051) 4.709 8.525 ( 3.826 -9.503 -1.548) 10.360 8.895 ( 5.801 -7.769 -0.611) 9.715 10.322 ( 9.651 21.075 0.480) 23.185 10.973 ( 8.271 10.200 -0.586) 13.146 17.966 ( -0.219 0.828 -0.257) 0.895 18.281 ( 0.219 -4.868 0.677) 4.920 19.044 ( -1.320 4.083 -0.015) 4.291 19.192 ( -2.023 0.847 -0.405) 2.230 38.784 ( -1.898 1.406 0.159) 2.367 38.895 ( -0.614 -0.507 0.158) 0.812 61.917 ( 0.957 -5.890 -1.328) 6.113 63.260 ( 7.924 -31.798 1.167) 32.791 ======================= Grid point 448 (228/252) ======================= q-point: (-0.50 0.31 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.302 ( 0.024 2.560 1.132) 2.799 2.735 ( 0.741 -3.330 -2.369) 4.154 3.050 ( 3.416 -13.023 -0.211) 13.466 3.314 ( -5.335 -15.253 0.611) 16.171 3.754 ( -4.118 9.336 5.922) 11.798 3.888 ( 5.800 13.005 -6.555) 15.676 4.151 ( 6.846 -0.992 1.496) 7.077 4.202 ( -7.424 -6.789 -1.403) 10.158 4.926 ( -1.950 -4.261 1.592) 4.949 4.986 ( 2.099 7.662 -3.737) 8.780 5.372 ( 0.695 -8.949 0.952) 9.026 5.640 ( -0.197 3.134 -0.213) 3.147 6.688 ( 1.321 -5.137 3.698) 6.466 6.781 ( -0.600 1.972 1.133) 2.351 7.227 ( 0.185 0.767 -1.048) 1.312 7.335 ( -0.523 2.146 0.085) 2.210 7.788 ( -0.846 -0.138 -1.072) 1.372 8.413 ( 0.699 -2.239 0.742) 2.460 8.554 ( -0.489 -9.687 -0.746) 9.727 8.952 ( -0.195 -7.523 -0.107) 7.527 10.421 ( 0.396 21.626 -0.120) 21.630 11.050 ( -0.284 10.802 -0.099) 10.807 17.963 ( -0.022 1.136 -0.156) 1.147 18.286 ( 0.172 -4.892 0.313) 4.905 19.033 ( 0.103 3.892 -0.123) 3.895 19.169 ( -0.187 0.662 -0.081) 0.692 38.766 ( 0.043 1.540 0.055) 1.542 38.892 ( 0.142 -0.761 -0.036) 0.774 61.918 ( -0.490 -6.587 -0.394) 6.617 63.345 ( 1.035 -33.998 -0.405) 34.016 ======================= Grid point 449 (229/252) ======================= q-point: (-0.40 0.31 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.308 ( 0.180 4.743 0.776) 4.809 2.708 ( -2.751 -3.526 -1.947) 4.878 3.002 ( -5.379 -10.445 -6.752) 13.551 3.090 ( -15.688 -8.498 5.911) 18.795 3.850 ( 8.506 3.196 5.563) 10.654 4.040 ( 1.327 3.696 -2.886) 4.874 4.108 ( 9.742 8.335 -3.765) 13.362 4.364 ( 11.894 -3.666 2.677) 12.731 4.847 ( -6.102 2.192 0.382) 6.495 5.037 ( 3.468 1.930 -1.923) 4.410 5.363 ( -1.672 -9.327 -0.819) 9.511 5.639 ( 0.162 2.754 -0.109) 2.761 6.653 ( -6.357 -1.129 -0.538) 6.479 6.810 ( 4.551 -2.647 2.161) 5.691 7.240 ( 2.869 3.902 -0.879) 4.922 7.403 ( 4.871 -0.742 0.933) 5.015 7.803 ( 2.567 -0.161 0.476) 2.616 8.399 ( -2.514 -3.144 -0.380) 4.043 8.504 ( -4.503 -9.749 0.427) 10.747 8.887 ( -6.143 -7.764 0.168) 9.902 10.337 ( -8.693 20.778 -0.947) 22.543 10.961 ( -8.924 10.619 0.545) 13.882 17.964 ( 0.124 1.042 -0.037) 1.050 18.289 ( 0.126 -4.957 -0.147) 4.961 19.048 ( 1.545 4.125 -0.310) 4.415 19.184 ( 1.634 0.896 0.329) 1.892 38.786 ( 1.989 1.338 -0.037) 2.398 38.899 ( 0.772 -0.737 -0.251) 1.096 61.898 ( -1.725 -5.251 0.579) 5.557 63.295 ( -6.041 -32.904 -2.169) 33.524 ======================= Grid point 450 (230/252) ======================= q-point: (-0.30 0.31 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.308 ( -0.712 8.326 1.281) 8.454 2.630 ( -4.701 -1.894 0.136) 5.070 2.786 ( -14.390 -6.998 0.505) 16.009 2.908 ( -4.573 -1.864 -6.153) 7.890 3.958 ( 0.467 -1.660 1.410) 2.228 4.084 ( 6.330 8.431 1.551) 10.656 4.372 ( 15.209 11.770 -1.031) 19.259 4.603 ( 11.555 -0.053 2.504) 11.823 4.714 ( -7.048 3.536 0.785) 7.925 5.092 ( 2.615 1.776 -1.012) 3.319 5.311 ( -2.951 -8.500 -1.628) 9.144 5.643 ( 0.247 0.975 -0.599) 1.171 6.494 ( -8.791 1.394 -2.317) 9.197 6.949 ( 8.581 -5.937 0.926) 10.476 7.309 ( 2.122 4.210 -0.336) 4.726 7.457 ( 0.423 -3.035 0.800) 3.167 7.884 ( 5.816 -1.105 -0.079) 5.920 8.291 ( -9.817 -4.909 0.278) 10.980 8.420 ( -3.047 -8.269 1.521) 8.943 8.767 ( -5.076 -7.380 0.272) 8.962 10.111 ( -13.880 18.642 -2.211) 23.347 10.739 ( -14.328 9.088 1.475) 17.031 17.969 ( 0.411 0.544 0.185) 0.706 18.289 ( -0.029 -5.051 -0.663) 5.094 19.089 ( 3.060 4.613 -0.607) 5.569 19.230 ( 2.916 1.404 0.804) 3.335 38.835 ( 2.886 0.998 -0.143) 3.057 38.927 ( 2.601 -0.628 -0.252) 2.687 61.859 ( -2.666 -2.299 1.181) 3.713 63.093 ( -14.369 -28.130 -3.547) 31.786 ======================= Grid point 451 (231/252) ======================= q-point: (-0.20 0.31 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.296 ( -1.095 11.692 3.556) 12.270 2.511 ( -9.529 0.292 -2.777) 9.929 2.567 ( -7.968 1.874 6.819) 10.653 2.808 ( -2.604 0.913 -13.042) 13.331 3.964 ( 0.141 2.584 0.636) 2.665 4.171 ( 1.584 15.405 0.048) 15.486 4.583 ( -2.058 -5.429 7.994) 9.880 4.655 ( 11.532 17.848 -4.119) 21.645 4.835 ( 10.468 2.178 2.922) 11.084 5.118 ( 0.624 0.428 -2.824) 2.923 5.260 ( -1.830 -3.602 0.695) 4.099 5.636 ( -0.836 -1.173 -0.969) 1.735 6.327 ( -7.995 2.196 -2.717) 8.725 7.031 ( -6.414 -5.182 -0.885) 8.293 7.268 ( 0.659 -4.698 1.092) 4.868 7.449 ( -4.261 -3.060 -1.705) 5.516 8.004 ( 4.565 -3.606 -1.173) 5.935 8.095 ( -6.239 -0.837 2.070) 6.627 8.419 ( 2.158 -6.309 2.042) 6.974 8.736 ( 1.656 -4.686 0.507) 4.996 9.831 ( -14.064 15.131 -3.679) 20.983 10.468 ( -14.128 5.311 2.521) 15.302 17.982 ( 0.807 -0.359 0.501) 1.015 18.283 ( -0.357 -5.061 -1.114) 5.194 19.155 ( 4.021 4.920 -1.001) 6.432 19.293 ( 3.266 1.839 1.162) 3.924 38.884 ( 2.400 0.980 -0.196) 2.599 38.999 ( 4.828 -1.089 -0.048) 4.949 61.813 ( -2.307 1.236 1.118) 2.847 62.738 ( -21.254 -19.202 -3.603) 28.869 ======================= Grid point 452 (232/252) ======================= q-point: (-0.10 0.31 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.293 ( -1.378 11.648 0.032) 11.729 2.340 ( -6.782 9.558 8.299) 14.360 2.462 ( -5.377 7.629 2.594) 9.687 2.721 ( -0.758 3.215 -16.979) 17.298 3.958 ( -1.343 8.951 1.264) 9.140 4.163 ( -0.947 14.240 -1.296) 14.330 4.607 ( 2.289 -4.824 6.500) 8.412 4.831 ( 5.845 20.148 1.150) 21.010 5.028 ( 7.559 -2.886 2.214) 8.389 5.106 ( 1.731 -1.377 -7.036) 7.375 5.249 ( -0.571 5.149 3.467) 6.233 5.605 ( -1.894 -3.580 -1.099) 4.197 6.160 ( -8.872 2.698 -2.187) 9.528 6.826 ( -7.074 -2.801 -1.800) 7.818 7.161 ( -17.485 -8.847 -0.642) 19.606 7.423 ( 5.977 -8.406 1.022) 10.365 8.016 ( 1.223 5.903 0.147) 6.030 8.101 ( -0.246 -4.005 1.148) 4.174 8.537 ( 9.404 -4.334 0.937) 10.398 8.793 ( 2.517 -1.544 0.023) 2.953 9.574 ( -11.091 11.099 -3.879) 16.163 10.262 ( -7.884 -0.082 2.580) 8.296 18.001 ( 0.899 -1.502 0.699) 1.885 18.268 ( -0.632 -4.834 -1.224) 5.026 19.221 ( 2.961 4.787 -1.103) 5.736 19.354 ( 2.524 1.929 0.873) 3.295 38.923 ( 1.656 1.013 -0.092) 1.943 39.088 ( 3.950 -1.955 0.043) 4.408 61.797 ( 0.747 3.650 0.629) 3.779 62.322 ( -19.701 -7.989 -1.990) 21.353 ======================= Grid point 453 (233/252) ======================= q-point: ( 0.00 0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.445 ( -0.972 9.391 0.659) 9.464 2.567 ( 1.380 5.518 0.089) 5.689 2.590 ( 0.683 10.717 5.063) 11.872 2.757 ( 0.713 4.637 -10.542) 11.539 4.108 ( -0.545 6.940 0.842) 7.012 4.351 ( -2.153 8.387 0.583) 8.679 4.513 ( 2.314 -6.889 0.564) 7.289 4.853 ( -0.654 -9.814 -5.235) 11.142 5.131 ( 1.123 0.346 0.643) 1.340 5.356 ( 3.905 17.231 0.447) 17.673 5.406 ( -3.985 -3.960 -1.232) 5.752 5.563 ( 0.369 11.254 2.775) 11.597 6.178 ( -0.014 8.643 -1.336) 8.745 6.734 ( -2.157 -8.768 -0.179) 9.031 6.805 ( 0.459 1.729 1.338) 2.234 7.256 ( -1.044 -12.455 2.225) 12.695 8.070 ( 0.845 0.489 0.401) 1.055 8.168 ( 0.098 4.202 -0.333) 4.216 8.618 ( 0.878 -1.687 0.323) 1.929 8.774 ( -0.021 -1.898 -0.267) 1.917 9.599 ( -0.475 7.698 -1.497) 7.857 10.095 ( 0.072 -7.362 0.926) 7.421 17.998 ( 0.058 0.443 -0.008) 0.446 18.168 ( -0.203 -4.382 -0.468) 4.412 19.320 ( -0.142 3.166 -0.361) 3.190 19.405 ( 0.331 0.300 -0.133) 0.466 38.963 ( -0.030 1.450 0.031) 1.450 39.081 ( 0.041 -2.452 -0.017) 2.452 61.901 ( 0.201 3.564 0.144) 3.573 62.058 ( -0.542 -1.697 -0.006) 1.782 ======================= Grid point 454 (234/252) ======================= q-point: ( 0.10 0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.414 ( -2.295 9.059 1.410) 9.451 2.600 ( 1.127 4.210 0.621) 4.403 2.651 ( 4.103 7.392 2.341) 8.773 2.738 ( 1.805 5.349 -10.683) 12.082 4.054 ( -5.044 5.941 1.639) 7.964 4.339 ( -1.000 5.966 3.753) 7.118 4.553 ( 2.602 -6.528 -3.589) 7.891 4.835 ( 0.554 -10.097 -1.708) 10.255 5.075 ( -6.497 2.044 -2.468) 7.244 5.236 ( -9.135 15.943 0.756) 18.390 5.485 ( 3.191 2.341 0.549) 3.996 5.539 ( -1.891 5.209 0.396) 5.556 6.252 ( 6.256 7.619 0.096) 9.859 6.733 ( 6.054 -3.866 1.617) 7.363 7.004 ( 13.959 -4.957 1.346) 14.874 7.231 ( -1.049 -9.198 2.852) 9.687 8.055 ( -3.069 -0.257 -0.924) 3.215 8.155 ( -1.045 3.630 -0.457) 3.805 8.486 ( -9.706 -1.716 -1.106) 9.919 8.744 ( -4.489 -4.142 -0.465) 6.126 9.743 ( 14.274 9.971 0.064) 17.412 10.229 ( 12.982 -5.166 0.274) 13.975 17.996 ( -0.181 0.546 -0.117) 0.587 18.167 ( 0.167 -4.347 0.092) 4.351 19.291 ( -2.702 3.430 -0.073) 4.367 19.387 ( -2.063 0.173 -0.520) 2.135 38.945 ( -1.741 1.433 0.065) 2.256 39.050 ( -3.091 -2.007 -0.054) 3.686 61.881 ( -0.894 3.994 -0.313) 4.105 62.165 ( 9.703 -5.801 0.808) 11.333 ======================= Grid point 455 (235/252) ======================= q-point: ( 0.20 0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.377 ( -2.380 5.971 2.545) 6.913 2.601 ( -0.735 0.867 -1.016) 1.525 2.722 ( 3.319 5.410 -2.296) 6.749 2.785 ( 6.253 1.751 -6.387) 9.108 3.958 ( -5.356 2.418 2.661) 6.451 4.277 ( -7.252 -2.110 1.900) 7.788 4.612 ( 4.928 -2.127 -3.011) 6.154 4.850 ( -5.488 -1.470 1.997) 6.022 4.904 ( -3.576 1.551 -4.061) 5.629 5.048 ( -11.548 12.477 1.906) 17.107 5.422 ( -5.507 7.381 -0.622) 9.230 5.582 ( 3.073 -3.424 -0.682) 4.651 6.366 ( 5.384 6.189 2.755) 8.653 6.865 ( 1.296 -8.590 2.748) 9.111 7.217 ( 11.201 -0.603 0.860) 11.251 7.347 ( 9.280 -3.779 1.258) 10.099 7.954 ( -5.582 0.270 -0.407) 5.603 8.142 ( 0.826 0.727 -0.737) 1.324 8.349 ( -3.994 -4.361 -2.600) 6.460 8.637 ( -4.620 -6.814 -0.523) 8.249 10.070 ( 18.930 13.741 0.941) 23.410 10.536 ( 18.241 -0.900 -0.342) 18.266 17.992 ( -0.155 1.032 -0.139) 1.053 18.174 ( 0.347 -4.456 0.492) 4.497 19.228 ( -3.733 3.639 0.024) 5.213 19.330 ( -3.553 0.172 -0.592) 3.606 38.904 ( -2.534 1.316 0.096) 2.857 38.979 ( -4.012 -1.084 -0.038) 4.156 61.875 ( 0.185 3.313 -0.706) 3.392 62.376 ( 11.238 -13.961 1.190) 17.962 ======================= Grid point 456 (236/252) ======================= q-point: ( 0.30 0.38 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.341 ( -2.539 2.244 3.100) 4.592 2.584 ( -0.088 -3.498 -2.199) 4.133 2.782 ( 3.766 3.128 -1.665) 5.171 2.896 ( 7.804 -3.583 -6.092) 10.529 3.884 ( -3.413 -1.252 3.028) 4.731 4.107 ( -10.017 -5.693 0.516) 11.533 4.580 ( -14.758 9.954 -1.320) 17.850 4.667 ( -5.239 -0.074 -0.913) 5.318 4.840 ( -6.104 8.527 1.212) 10.556 4.971 ( 4.574 -6.931 -0.430) 8.315 5.332 ( -3.298 5.890 -0.911) 6.812 5.625 ( 1.803 -2.648 -0.350) 3.223 6.484 ( 5.645 3.784 4.546) 8.177 6.812 ( -5.226 -6.038 3.687) 8.795 7.380 ( -0.861 3.689 0.407) 3.810 7.443 ( 4.449 -0.191 -1.434) 4.679 7.892 ( -1.596 0.740 -1.751) 2.482 8.206 ( 5.251 -4.614 0.062) 6.991 8.310 ( 1.411 -4.893 -1.469) 5.300 8.622 ( 3.504 -8.914 -0.646) 9.600 10.425 ( 17.453 16.309 0.816) 23.901 10.869 ( 16.225 2.311 -0.455) 16.395 17.991 ( 0.043 1.556 -0.084) 1.558 18.182 ( 0.326 -4.532 0.599) 4.582 19.161 ( -3.171 3.479 0.031) 4.707 19.259 ( -3.571 0.131 -0.509) 3.610 38.855 ( -2.584 1.329 0.101) 2.907 38.915 ( -2.502 -0.521 -0.009) 2.555 61.874 ( -0.127 1.961 -0.801) 2.122 62.568 ( 8.269 -21.717 1.085) 23.264 ======================= Grid point 457 (237/252) ======================= q-point: ( 0.40 0.38 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.310 ( -1.629 -0.638 2.794) 3.296 2.584 ( 0.874 -8.868 -2.718) 9.316 2.844 ( 3.115 -0.186 -0.858) 3.236 3.025 ( 6.987 -7.935 -4.553) 11.511 3.843 ( -3.108 -3.831 2.025) 5.333 3.954 ( -4.710 -5.068 1.829) 7.157 4.304 ( -11.785 12.639 -0.268) 17.283 4.441 ( -13.088 2.252 -2.973) 13.609 4.843 ( 1.626 0.718 1.210) 2.150 5.044 ( 3.187 -5.225 -1.603) 6.327 5.295 ( -0.775 5.531 0.300) 5.594 5.650 ( 0.925 -1.828 0.044) 2.049 6.590 ( 2.865 0.467 5.106) 5.874 6.756 ( -1.113 -2.978 3.377) 4.638 7.314 ( -3.271 4.343 -0.939) 5.517 7.449 ( -2.770 2.692 -0.882) 3.962 7.841 ( -2.641 1.279 -2.984) 4.185 8.285 ( 2.620 -8.551 -0.246) 8.947 8.385 ( 5.002 -1.911 0.000) 5.354 8.728 ( 6.088 -9.221 -0.231) 11.052 10.698 ( 10.574 17.362 0.412) 20.333 11.114 ( 9.352 4.026 -0.326) 10.187 17.992 ( 0.139 1.918 -0.058) 1.924 18.190 ( 0.243 -4.545 0.475) 4.576 19.114 ( -1.692 3.102 -0.021) 3.534 19.201 ( -2.250 0.043 -0.342) 2.276 38.814 ( -1.579 1.633 0.052) 2.273 38.885 ( -0.859 -0.611 0.001) 1.054 61.865 ( -0.476 0.904 -0.567) 1.168 62.687 ( 4.134 -26.863 0.549) 27.185 ======================= Grid point 458 (238/252) ======================= q-point: (-0.50 0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.307 ( 0.640 -1.854 1.771) 2.643 2.587 ( 0.155 -11.972 -2.837) 12.304 2.881 ( 0.739 -3.243 -1.276) 3.562 3.071 ( -2.389 -9.165 -0.397) 9.479 3.785 ( -1.506 -1.387 2.751) 3.429 3.962 ( 2.809 -6.896 0.282) 7.451 4.204 ( 1.402 10.787 -1.612) 10.996 4.261 ( -1.933 5.390 -2.209) 6.138 4.865 ( 0.332 -0.878 0.510) 1.068 5.072 ( 0.407 -4.042 -2.008) 4.531 5.291 ( -0.152 4.747 0.878) 4.829 5.660 ( 0.034 -1.322 0.127) 1.329 6.625 ( 0.276 -1.079 3.843) 4.001 6.777 ( 0.290 -2.272 2.644) 3.498 7.281 ( 0.392 4.413 -1.394) 4.645 7.400 ( -0.857 3.571 0.082) 3.674 7.797 ( -0.604 1.820 -1.803) 2.632 8.307 ( 0.087 -10.371 -0.651) 10.392 8.440 ( 0.042 0.018 0.188) 0.193 8.791 ( -0.184 -8.818 0.168) 8.822 10.804 ( 0.250 17.551 -0.007) 17.553 11.202 ( -0.096 4.610 -0.136) 4.613 17.994 ( 0.053 2.082 -0.098) 2.085 18.194 ( 0.146 -4.568 0.198) 4.574 19.099 ( 0.103 2.897 -0.132) 2.901 19.177 ( -0.132 0.037 -0.102) 0.171 38.799 ( 0.020 1.784 0.006) 1.784 38.878 ( 0.049 -0.776 -0.053) 0.780 61.856 ( -0.238 0.668 -0.134) 0.722 62.731 ( 0.544 -28.828 -0.266) 28.834 ======================= Grid point 459 (239/252) ======================= q-point: (-0.40 0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.347 ( 3.024 -0.940 0.170) 3.171 2.568 ( -1.025 -10.646 -2.173) 10.914 2.851 ( -4.188 -3.101 -0.360) 5.223 2.958 ( -7.167 -4.956 0.962) 8.766 3.835 ( 4.707 -1.596 2.596) 5.607 3.996 ( 2.401 -5.425 -2.242) 6.342 4.317 ( 11.658 8.391 -1.325) 14.425 4.404 ( 13.553 6.134 0.503) 14.885 4.859 ( -1.025 0.875 -0.253) 1.372 5.051 ( -1.490 -5.422 -2.388) 6.109 5.289 ( -0.381 4.923 0.933) 5.025 5.653 ( -0.812 -1.527 -0.162) 1.737 6.635 ( -1.686 -0.057 1.258) 2.105 6.770 ( 0.177 -2.153 1.671) 2.731 7.318 ( 3.907 3.929 -1.429) 5.722 7.425 ( 1.950 2.351 1.522) 3.413 7.813 ( 2.572 1.748 -0.280) 3.122 8.283 ( -2.641 -10.281 -0.397) 10.622 8.386 ( -5.344 -0.518 0.161) 5.372 8.721 ( -6.566 -9.067 0.428) 11.202 10.708 ( -9.953 17.134 -0.544) 19.823 11.109 ( -9.610 4.336 0.142) 10.544 17.993 ( -0.069 2.052 -0.157) 2.059 18.196 ( 0.030 -4.646 -0.166) 4.649 19.117 ( 1.908 3.047 -0.307) 3.609 19.195 ( 1.991 0.193 0.200) 2.010 38.815 ( 1.619 1.576 -0.025) 2.259 38.886 ( 0.902 -0.715 -0.105) 1.156 61.856 ( 0.108 1.378 0.313) 1.417 62.705 ( -3.188 -27.555 -1.140) 27.762 ======================= Grid point 460 (240/252) ======================= q-point: (-0.30 0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.410 ( 3.622 1.317 -2.450) 4.566 2.546 ( -0.596 -5.925 0.184) 5.958 2.720 ( -8.648 1.168 4.864) 9.991 2.875 ( -1.849 -1.454 -4.333) 4.931 3.924 ( 4.099 -0.762 -0.637) 4.218 4.097 ( 8.046 -4.471 1.000) 9.259 4.563 ( 12.890 4.629 0.184) 13.697 4.663 ( 9.411 8.058 0.091) 12.390 4.843 ( 2.425 7.074 0.494) 7.494 5.013 ( -1.006 -8.157 -4.346) 9.297 5.299 ( 1.415 5.947 2.321) 6.539 5.629 ( -1.540 -2.497 -0.742) 3.026 6.546 ( -6.459 3.683 -1.335) 7.554 6.838 ( 5.057 -5.605 1.319) 7.664 7.391 ( -0.281 3.599 -0.317) 3.624 7.416 ( -2.081 -0.764 0.842) 2.371 7.880 ( 4.147 0.868 -0.530) 4.270 8.205 ( -5.407 -5.897 -0.008) 8.001 8.278 ( -4.335 -3.838 1.592) 6.005 8.607 ( -3.761 -8.943 0.771) 9.732 10.447 ( -16.602 15.780 -1.378) 22.946 10.857 ( -16.603 2.969 0.614) 16.877 17.991 ( -0.051 1.821 -0.161) 1.829 18.194 ( -0.131 -4.744 -0.542) 4.777 19.166 ( 3.410 3.357 -0.544) 4.816 19.248 ( 3.354 0.435 0.516) 3.422 38.856 ( 2.614 1.214 -0.057) 2.883 38.916 ( 2.442 -0.638 -0.064) 2.524 61.860 ( 0.059 2.716 0.577) 2.777 62.597 ( -7.794 -22.912 -1.726) 24.263 ======================= Grid point 461 (241/252) ======================= q-point: (-0.20 0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.448 ( 1.469 2.621 -4.211) 5.173 2.552 ( 0.415 2.216 3.213) 3.925 2.608 ( -4.892 5.339 5.738) 9.239 2.829 ( -1.110 0.930 -7.134) 7.280 4.000 ( 4.471 2.032 -1.517) 5.140 4.257 ( 7.239 -4.957 3.234) 9.351 4.618 ( -5.259 5.619 -3.185) 8.329 4.819 ( 9.770 6.821 3.369) 12.383 4.949 ( 1.382 -8.910 -5.850) 10.748 5.056 ( 9.744 11.499 0.444) 15.079 5.372 ( 4.944 8.143 4.317) 10.459 5.588 ( -2.387 -3.403 -1.479) 4.412 6.412 ( -6.971 6.127 -1.687) 9.433 6.895 ( -2.187 -8.567 -0.057) 8.841 7.216 ( -10.310 -0.536 0.994) 10.372 7.374 ( -8.023 -4.192 -1.243) 9.137 7.958 ( 4.797 -0.594 -0.884) 4.913 8.126 ( -1.048 2.151 0.855) 2.541 8.295 ( 4.747 -5.084 2.516) 7.396 8.620 ( 4.418 -7.142 1.136) 8.475 10.104 ( -18.350 12.969 -2.392) 22.597 10.520 ( -18.459 0.046 1.211) 18.499 17.991 ( 0.113 1.381 -0.080) 1.388 18.187 ( -0.327 -4.753 -0.816) 4.834 19.236 ( 3.929 3.436 -0.774) 5.276 19.317 ( 3.517 0.590 0.697) 3.633 38.905 ( 2.498 1.196 -0.071) 2.771 38.978 ( 3.962 -1.144 0.036) 4.124 61.862 ( 0.093 4.008 0.540) 4.045 62.405 ( -11.503 -15.207 -1.638) 19.138 ======================= Grid point 462 (242/252) ======================= q-point: (-0.10 0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.448 ( 0.223 6.168 -1.447) 6.340 2.565 ( -1.488 9.428 4.863) 10.712 2.573 ( -0.156 5.700 2.789) 6.348 2.786 ( -0.149 3.037 -9.494) 9.969 4.074 ( 3.435 4.552 -0.439) 5.720 4.368 ( 2.514 -0.792 2.009) 3.314 4.508 ( -3.700 4.450 -1.076) 5.886 4.886 ( -0.658 -9.443 -5.009) 10.710 5.036 ( 7.765 -0.022 0.363) 7.773 5.227 ( 7.367 14.389 1.679) 16.253 5.481 ( 2.557 10.582 3.057) 11.308 5.529 ( -2.033 -1.382 -0.909) 2.621 6.268 ( -7.422 7.766 -1.430) 10.837 6.762 ( -6.177 -4.797 -1.119) 7.900 7.016 ( -14.814 -4.942 0.322) 15.620 7.253 ( -0.716 -8.907 0.795) 8.971 8.035 ( 2.695 -0.127 0.928) 2.853 8.149 ( 1.804 3.889 0.080) 4.287 8.460 ( 11.084 -2.241 1.355) 11.389 8.733 ( 5.292 -4.603 0.602) 7.039 9.770 ( -14.926 9.490 -2.585) 17.875 10.218 ( -12.717 -4.356 1.332) 13.509 17.995 ( 0.217 0.824 0.014) 0.852 18.177 ( -0.415 -4.593 -0.827) 4.686 19.298 ( 2.638 3.226 -0.737) 4.232 19.377 ( 2.438 0.525 0.462) 2.537 38.946 ( 1.684 1.367 -0.022) 2.169 39.049 ( 3.117 -2.017 0.047) 3.713 61.874 ( 1.233 4.349 0.339) 4.533 62.183 ( -10.505 -6.550 -0.890) 12.412 ======================= Grid point 463 (243/252) ======================= q-point: ( 0.00 0.46 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.581 ( 0.131 4.601 0.505) 4.630 2.622 ( 0.687 0.341 0.312) 0.828 2.757 ( 0.617 6.000 0.431) 6.047 2.812 ( 0.655 0.386 -4.026) 4.097 4.216 ( 0.863 4.848 -0.191) 4.927 4.319 ( 1.189 -6.049 -0.157) 6.167 4.578 ( -2.324 7.543 -2.246) 8.206 4.703 ( -1.494 -6.088 -3.673) 7.265 5.151 ( 1.570 2.726 0.254) 3.156 5.249 ( 0.783 -7.211 -0.240) 7.257 5.656 ( -0.295 9.516 0.520) 9.535 5.718 ( 0.094 3.014 1.665) 3.444 6.362 ( -0.247 10.102 -0.447) 10.115 6.556 ( -0.312 -9.715 -0.241) 9.723 6.878 ( -1.048 5.824 1.913) 6.219 7.033 ( -1.176 -10.129 2.260) 10.444 8.109 ( 0.486 3.306 0.177) 3.347 8.176 ( 0.213 -2.706 -0.044) 2.715 8.642 ( 0.952 3.574 0.182) 3.703 8.718 ( 0.549 -3.731 -0.076) 3.772 9.754 ( -0.461 8.633 -0.650) 8.670 9.930 ( -0.280 -9.297 0.190) 9.303 18.027 ( -0.031 2.472 -0.223) 2.482 18.089 ( -0.105 -3.767 -0.341) 3.784 19.370 ( -0.018 2.026 -0.246) 2.040 19.399 ( 0.136 -0.935 -0.169) 0.959 38.995 ( 0.004 1.907 0.016) 1.907 39.036 ( 0.030 -2.267 -0.006) 2.267 61.966 ( 0.008 3.100 0.076) 3.101 62.019 ( -0.210 -2.395 0.017) 2.404 ======================= Grid point 464 (244/252) ======================= q-point: ( 0.10 0.46 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.554 ( -2.755 5.376 -0.043) 6.041 2.620 ( -1.170 -1.356 -0.672) 1.913 2.778 ( 1.555 4.554 -0.373) 4.827 2.810 ( 0.887 1.389 -4.544) 4.834 4.167 ( -5.614 5.967 -0.966) 8.250 4.291 ( -4.211 -6.740 -1.499) 8.088 4.570 ( 1.691 4.721 1.094) 5.132 4.674 ( -0.047 -6.479 0.146) 6.481 5.153 ( -0.874 6.022 -1.950) 6.390 5.283 ( 0.736 -6.252 -0.507) 6.316 5.593 ( -5.399 7.780 0.319) 9.475 5.653 ( -6.712 1.945 0.511) 7.007 6.423 ( 4.970 9.711 0.988) 10.954 6.608 ( 4.895 -8.779 1.032) 10.104 6.980 ( 10.402 2.272 2.227) 10.878 7.072 ( 5.555 -6.865 2.739) 9.246 8.084 ( -3.109 3.049 -0.808) 4.429 8.153 ( -2.471 -3.150 -0.487) 4.034 8.526 ( -9.755 5.241 -1.214) 11.140 8.643 ( -7.561 -6.055 -0.835) 9.723 9.928 ( 16.834 9.287 0.301) 19.228 10.098 ( 16.259 -8.077 0.373) 18.158 18.027 ( 0.048 2.497 -0.082) 2.499 18.088 ( 0.128 -3.751 -0.014) 3.753 19.346 ( -2.391 2.245 -0.151) 3.284 19.378 ( -2.179 -1.093 -0.300) 2.456 38.976 ( -1.924 1.751 0.000) 2.601 39.012 ( -2.372 -1.959 -0.048) 3.076 61.964 ( 0.212 4.629 0.007) 4.634 62.059 ( 3.720 -5.191 0.321) 6.395 ======================= Grid point 465 (245/252) ======================= q-point: ( 0.20 0.46 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.486 ( -4.319 5.141 -0.240) 6.719 2.571 ( -3.443 -3.437 -1.456) 5.079 2.806 ( 1.742 2.833 -2.304) 4.046 2.821 ( 2.090 1.121 -3.902) 4.566 4.031 ( -7.940 5.152 0.791) 9.498 4.156 ( -8.941 -7.530 -0.709) 11.711 4.624 ( 2.907 2.436 0.544) 3.832 4.707 ( 2.532 -6.380 0.963) 6.931 5.081 ( -6.998 9.431 -1.511) 11.841 5.189 ( -11.130 0.292 1.007) 11.180 5.516 ( -6.137 2.118 -1.083) 6.582 5.532 ( -0.107 -1.043 -0.937) 1.406 6.509 ( 3.192 8.450 3.479) 9.680 6.685 ( 1.287 -9.564 3.366) 10.220 7.233 ( 14.767 1.895 0.889) 14.915 7.281 ( 13.008 -3.017 1.061) 13.395 7.996 ( -4.798 3.958 -1.241) 6.342 8.093 ( -2.891 -5.274 -1.010) 6.099 8.361 ( -5.921 5.198 -1.803) 8.083 8.494 ( -6.176 -7.671 -0.841) 9.884 10.305 ( 21.389 10.491 0.609) 23.831 10.467 ( 21.137 -6.114 0.155) 22.005 18.029 ( 0.186 2.694 0.056) 2.701 18.093 ( 0.297 -3.841 0.247) 3.861 19.286 ( -3.654 2.409 -0.105) 4.378 19.321 ( -3.592 -1.152 -0.324) 3.786 38.930 ( -2.740 1.386 -0.009) 3.071 38.956 ( -3.221 -1.293 -0.064) 3.472 61.972 ( 0.430 6.817 -0.081) 6.831 62.139 ( 4.164 -10.467 0.451) 11.274 ======================= Grid point 466 (246/252) ======================= q-point: ( 0.30 0.46 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.396 ( -4.910 3.819 -0.166) 6.223 2.490 ( -4.146 -5.569 -2.382) 7.340 2.834 ( 2.141 2.033 -2.232) 3.701 2.860 ( 3.548 -0.939 -3.902) 5.357 3.897 ( -6.464 2.580 2.257) 7.317 3.982 ( -8.828 -6.036 0.885) 10.731 4.636 ( -3.508 2.033 -2.182) 4.604 4.698 ( -7.396 -2.798 0.504) 7.923 4.930 ( -3.976 3.370 -0.553) 5.242 4.958 ( -10.292 2.205 1.323) 10.609 5.446 ( -1.162 5.672 -1.084) 5.890 5.550 ( 1.565 -4.907 -0.485) 5.173 6.575 ( 2.250 5.536 5.033) 7.813 6.692 ( -1.363 -6.340 4.604) 7.953 7.432 ( 1.834 2.046 -0.643) 2.822 7.454 ( 6.129 0.093 -0.843) 6.187 7.941 ( -0.640 4.695 -1.888) 5.101 8.069 ( 1.161 -7.967 -1.599) 8.209 8.319 ( 2.474 4.584 -0.428) 5.226 8.450 ( 2.404 -8.378 -0.397) 8.725 10.693 ( 18.559 11.172 0.465) 21.667 10.847 ( 18.094 -4.613 0.011) 18.673 18.034 ( 0.303 2.890 0.134) 2.909 18.100 ( 0.347 -3.907 0.346) 3.938 19.217 ( -3.436 2.307 -0.087) 4.139 19.249 ( -3.584 -1.086 -0.289) 3.756 38.880 ( -2.389 1.253 -0.016) 2.698 38.901 ( -2.359 -0.922 -0.062) 2.533 61.974 ( -0.235 8.561 -0.128) 8.566 62.207 ( 2.667 -15.493 0.400) 15.725 ======================= Grid point 467 (247/252) ======================= q-point: ( 0.40 0.46 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.312 ( -3.610 1.963 0.103) 4.111 2.409 ( -3.133 -7.951 -2.750) 8.978 2.867 ( 1.899 2.180 -1.565) 3.287 2.922 ( 3.732 -3.568 -3.033) 5.988 3.810 ( -3.766 0.477 2.342) 4.460 3.857 ( -4.234 -4.163 2.029) 6.275 4.460 ( -10.317 3.646 -2.632) 11.254 4.480 ( -11.709 1.376 -1.084) 11.840 4.878 ( -0.575 2.180 0.551) 2.321 4.934 ( 1.746 -4.334 -0.857) 4.751 5.441 ( 0.286 7.919 0.091) 7.924 5.576 ( 1.082 -5.714 0.317) 5.824 6.623 ( 0.715 2.852 5.070) 5.861 6.690 ( -0.098 -3.709 4.478) 5.815 7.404 ( -2.418 4.592 -1.259) 5.340 7.469 ( -2.122 -1.419 -1.122) 2.789 7.916 ( -1.287 6.856 -2.674) 7.470 8.089 ( 0.773 -10.332 -1.937) 10.540 8.424 ( 6.381 4.817 0.680) 8.024 8.554 ( 6.487 -8.316 0.242) 10.550 10.977 ( 10.761 11.130 0.219) 15.483 11.119 ( 10.277 -3.559 -0.055) 10.876 18.040 ( 0.276 3.008 0.107) 3.022 18.107 ( 0.279 -3.919 0.278) 3.939 19.164 ( -2.012 2.018 -0.093) 2.851 19.192 ( -2.224 -0.940 -0.217) 2.425 38.845 ( -1.280 1.481 -0.031) 1.957 38.869 ( -1.053 -1.040 -0.056) 1.481 61.965 ( -0.532 9.692 -0.115) 9.707 62.242 ( 1.079 -18.917 0.186) 18.949 ======================= Grid point 468 (248/252) ======================= q-point: (-0.50 0.46 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.276 ( 0.002 0.357 0.431) 0.560 2.365 ( -0.464 -8.983 -1.989) 9.212 2.881 ( -0.265 2.178 -0.843) 2.351 2.946 ( -0.920 -4.536 -1.199) 4.781 3.779 ( 0.300 1.348 1.617) 2.127 3.841 ( 1.186 -4.962 1.169) 5.234 4.340 ( -1.092 3.308 -1.700) 3.876 4.351 ( 1.127 2.902 -2.310) 3.877 4.880 ( 0.193 2.075 -0.131) 2.088 4.950 ( 0.131 -5.587 -0.986) 5.675 5.446 ( -0.047 8.571 0.543) 8.588 5.589 ( 0.085 -5.840 0.431) 5.856 6.644 ( 0.212 2.674 3.760) 4.619 6.712 ( 0.316 -3.929 3.371) 5.186 7.373 ( -0.112 4.428 -0.960) 4.532 7.430 ( -0.754 -0.965 -0.218) 1.244 7.890 ( -0.224 8.036 -1.977) 8.278 8.087 ( -0.127 -11.519 -1.486) 11.615 8.495 ( 0.091 5.115 0.471) 5.137 8.625 ( -0.074 -8.020 0.374) 8.029 11.082 ( 0.143 10.938 -0.024) 10.939 11.218 ( 0.036 -3.098 -0.096) 3.100 18.044 ( 0.094 3.068 -0.021) 3.070 18.112 ( 0.120 -3.940 0.080) 3.943 19.144 ( 0.050 1.821 -0.127) 1.826 19.169 ( -0.040 -0.811 -0.116) 0.820 38.832 ( 0.006 1.613 -0.037) 1.614 38.859 ( 0.011 -1.163 -0.058) 1.165 61.959 ( -0.018 10.204 -0.066) 10.205 62.254 ( 0.220 -20.249 -0.137) 20.251 ======================= Grid point 469 (249/252) ======================= q-point: (-0.40 0.46 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.316 ( 3.755 -0.422 0.529) 3.816 2.379 ( 2.285 -7.227 -0.358) 7.588 2.849 ( -2.963 1.661 0.393) 3.419 2.891 ( -3.468 -2.538 -0.629) 4.343 3.833 ( 4.656 1.501 0.239) 4.897 3.892 ( 4.374 -4.543 -1.158) 6.411 4.434 ( 10.086 4.702 -0.363) 11.134 4.486 ( 12.694 0.510 -1.648) 12.811 4.886 ( 0.943 1.557 -0.241) 1.836 4.933 ( -1.234 -4.309 -1.056) 4.605 5.439 ( -0.795 8.369 0.388) 8.416 5.580 ( -1.115 -5.810 0.003) 5.916 6.660 ( -0.119 2.477 1.818) 3.075 6.718 ( -0.248 -3.168 1.767) 3.636 7.393 ( 2.280 3.711 -0.356) 4.370 7.445 ( 1.418 -1.015 1.147) 2.087 7.898 ( 1.502 7.262 -0.975) 7.480 8.076 ( -0.728 -10.518 -0.761) 10.571 8.428 ( -6.713 4.527 0.305) 8.103 8.552 ( -6.974 -8.015 0.475) 10.635 10.982 ( -10.420 10.889 -0.309) 15.075 11.120 ( -10.218 -3.291 -0.115) 10.735 18.043 ( -0.118 3.099 -0.194) 3.107 18.112 ( -0.066 -4.009 -0.185) 4.013 19.165 ( 2.116 1.875 -0.188) 2.833 19.190 ( 2.152 -0.758 0.003) 2.281 38.845 ( 1.289 1.455 -0.027) 1.943 38.869 ( 1.058 -1.065 -0.048) 1.502 61.964 ( 0.514 10.085 -0.018) 10.098 62.249 ( -0.704 -19.370 -0.473) 19.389 ======================= Grid point 470 (250/252) ======================= q-point: (-0.30 0.46 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.402 ( 4.807 -0.054 -0.209) 4.812 2.442 ( 4.027 -4.166 1.945) 6.112 2.785 ( -3.356 3.963 1.534) 5.415 2.844 ( -1.103 -2.099 -1.896) 3.036 3.937 ( 6.348 2.122 -1.468) 6.852 4.002 ( 7.444 -4.480 -0.999) 8.746 4.623 ( 7.228 4.047 -0.767) 8.319 4.728 ( 9.623 -5.203 -2.288) 11.176 4.914 ( 2.739 4.837 0.737) 5.607 4.969 ( 8.351 0.332 -0.191) 8.360 5.430 ( 0.255 6.849 0.681) 6.887 5.551 ( -1.696 -5.389 -0.416) 5.665 6.630 ( -3.147 4.915 -0.148) 5.838 6.731 ( 0.671 -5.457 0.900) 5.571 7.421 ( -1.659 1.219 0.447) 2.107 7.435 ( -4.434 0.415 0.949) 4.554 7.930 ( 2.042 4.567 -0.879) 5.080 8.054 ( -0.683 -7.934 -0.338) 7.970 8.302 ( -4.712 4.811 1.282) 6.855 8.435 ( -3.369 -8.437 1.096) 9.151 10.705 ( -18.117 10.608 -0.719) 21.006 10.848 ( -18.056 -4.005 -0.089) 18.495 18.039 ( -0.222 3.067 -0.338) 3.094 18.108 ( -0.215 -4.080 -0.440) 4.109 19.219 ( 3.550 2.040 -0.277) 4.103 19.245 ( 3.544 -0.749 0.113) 3.624 38.880 ( 2.392 1.192 -0.010) 2.673 38.901 ( 2.335 -0.933 -0.005) 2.514 61.973 ( 0.260 9.185 0.007) 9.189 62.218 ( -2.488 -16.233 -0.679) 16.437 ======================= Grid point 471 (251/252) ======================= q-point: (-0.20 0.46 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.484 ( 3.836 2.117 0.124) 4.383 2.531 ( 4.046 -2.460 2.384) 5.301 2.749 ( -1.064 6.322 1.262) 6.534 2.826 ( -0.190 -1.729 -2.672) 3.189 4.054 ( 6.386 3.719 -1.444) 7.529 4.145 ( 7.207 -5.550 0.425) 9.106 4.676 ( 0.615 2.594 -4.386) 5.132 4.765 ( -0.641 -6.939 -4.493) 8.291 5.037 ( 5.577 10.991 2.381) 12.553 5.174 ( 9.383 -1.242 2.031) 9.681 5.489 ( 6.127 3.723 1.646) 7.356 5.533 ( 0.976 -1.853 -0.750) 2.225 6.551 ( -4.992 8.098 -0.569) 9.530 6.720 ( -2.843 -9.172 0.099) 9.603 7.238 ( -13.667 2.382 0.493) 13.882 7.297 ( -11.900 -3.634 -0.387) 12.448 7.986 ( 4.538 3.421 -0.412) 5.698 8.080 ( 3.245 -5.647 0.072) 6.514 8.319 ( 5.822 6.467 2.286) 8.997 8.469 ( 5.840 -8.250 1.627) 10.238 10.324 ( -21.044 9.651 -1.212) 23.183 10.470 ( -21.058 -5.209 -0.031) 21.692 18.033 ( -0.190 2.917 -0.392) 2.949 18.102 ( -0.293 -4.061 -0.594) 4.115 19.289 ( 3.755 2.073 -0.362) 4.305 19.316 ( 3.635 -0.741 0.152) 3.712 38.930 ( 2.733 1.310 0.007) 3.030 38.955 ( 3.213 -1.274 0.043) 3.457 61.971 ( -0.376 7.402 0.012) 7.412 62.150 ( -4.266 -11.193 -0.621) 11.995 ======================= Grid point 472 (252/252) ======================= q-point: (-0.10 0.46 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.548 ( 2.741 4.029 0.641) 4.915 2.596 ( 1.958 -0.767 1.581) 2.631 2.747 ( 0.247 6.572 0.888) 6.637 2.815 ( 0.276 -0.586 -3.459) 3.519 4.158 ( 4.673 4.568 -0.087) 6.535 4.261 ( 4.588 -6.091 1.130) 7.709 4.642 ( -2.027 5.407 -5.689) 8.106 4.737 ( -0.372 -5.706 -5.682) 8.062 5.106 ( 2.039 6.959 2.386) 7.634 5.259 ( -0.287 -7.055 1.635) 7.248 5.600 ( 5.190 6.472 -0.241) 8.300 5.638 ( 6.978 3.040 2.138) 7.906 6.439 ( -6.265 9.559 -0.569) 11.443 6.623 ( -5.923 -9.030 -0.418) 10.807 6.997 ( -11.107 2.645 0.614) 11.434 7.095 ( -6.841 -7.034 0.621) 9.832 8.069 ( 3.473 3.379 0.558) 4.877 8.145 ( 2.900 -3.530 0.180) 4.572 8.498 ( 10.793 5.532 1.484) 12.219 8.623 ( 8.293 -6.535 1.109) 10.617 9.946 ( -17.139 8.707 -1.357) 19.272 10.103 ( -16.253 -7.344 -0.043) 17.835 18.029 ( -0.101 2.667 -0.340) 2.690 18.094 ( -0.267 -3.920 -0.568) 3.969 19.348 ( 2.417 1.986 -0.356) 3.148 19.375 ( 2.364 -0.785 0.041) 2.491 38.976 ( 1.925 1.702 0.021) 2.570 39.011 ( 2.406 -1.936 0.040) 3.088 61.964 ( -0.204 4.961 0.037) 4.965 62.066 ( -4.026 -5.621 -0.328) 6.922 =================== 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 3/27300 10.0 1208.755 1636.004 951.615 0.000 165.636 0.000 3/27300 20.0 361.229 435.906 265.222 0.000 10.898 0.000 3/27300 30.0 129.593 151.447 97.341 0.000 2.903 0.000 3/27300 40.0 63.717 74.099 48.140 0.000 1.261 0.000 3/27300 50.0 38.665 45.194 29.182 0.000 0.644 0.000 3/27300 60.0 26.764 31.437 20.082 0.000 0.372 0.000 3/27300 70.0 20.183 23.773 15.012 0.000 0.237 0.000 3/27300 80.0 16.133 19.023 11.879 0.000 0.164 0.000 3/27300 90.0 13.437 15.842 9.790 0.000 0.121 0.000 3/27300 100.0 11.531 13.585 8.316 0.000 0.094 0.000 3/27300 110.0 10.119 11.908 7.226 0.000 0.076 0.000 3/27300 120.0 9.032 10.617 6.392 0.000 0.063 0.000 3/27300 130.0 8.169 9.592 5.734 0.000 0.054 0.000 3/27300 140.0 7.468 8.759 5.203 0.000 0.048 0.000 3/27300 150.0 6.885 8.068 4.765 0.000 0.043 0.000 3/27300 160.0 6.392 7.486 4.398 0.000 0.039 0.000 3/27300 170.0 5.970 6.987 4.085 0.000 0.036 0.000 3/27300 180.0 5.604 6.555 3.816 0.000 0.033 0.000 3/27300 190.0 5.282 6.177 3.582 0.000 0.031 0.000 3/27300 200.0 4.998 5.843 3.376 0.000 0.029 0.000 3/27300 210.0 4.745 5.545 3.193 0.000 0.027 0.000 3/27300 220.0 4.517 5.279 3.030 0.000 0.026 0.000 3/27300 230.0 4.311 5.038 2.883 0.000 0.025 0.000 3/27300 240.0 4.125 4.820 2.751 0.000 0.024 0.000 3/27300 250.0 3.955 4.621 2.631 0.000 0.023 0.000 3/27300 260.0 3.799 4.439 2.521 0.000 0.022 0.000 3/27300 270.0 3.656 4.271 2.420 0.000 0.021 0.000 3/27300 280.0 3.524 4.117 2.328 0.000 0.020 0.000 3/27300 290.0 3.403 3.974 2.242 0.000 0.019 0.000 3/27300 300.0 3.290 3.842 2.163 0.000 0.019 0.000 3/27300 310.0 3.186 3.719 2.090 0.000 0.018 0.000 3/27300 320.0 3.089 3.604 2.021 0.000 0.017 0.000 3/27300 330.0 2.998 3.498 1.958 0.000 0.017 0.000 3/27300 340.0 2.914 3.398 1.898 0.000 0.016 0.000 3/27300 350.0 2.836 3.304 1.842 0.000 0.016 0.000 3/27300 360.0 2.763 3.217 1.789 0.000 0.015 0.000 3/27300 370.0 2.694 3.135 1.740 0.000 0.015 0.000 3/27300 380.0 2.630 3.057 1.693 0.000 0.014 0.000 3/27300 390.0 2.571 2.985 1.649 0.000 0.014 0.000 3/27300 400.0 2.515 2.917 1.608 0.000 0.013 0.000 3/27300 410.0 2.463 2.852 1.568 0.000 0.013 0.000 3/27300 420.0 2.414 2.792 1.531 0.000 0.012 0.000 3/27300 430.0 2.368 2.735 1.496 0.000 0.012 0.000 3/27300 440.0 2.325 2.681 1.462 0.000 0.012 0.000 3/27300 450.0 2.285 2.630 1.430 0.000 0.011 0.000 3/27300 460.0 2.247 2.582 1.400 0.000 0.011 0.000 3/27300 470.0 2.211 2.536 1.371 0.000 0.010 0.000 3/27300 480.0 2.178 2.493 1.343 0.000 0.010 0.000 3/27300 490.0 2.147 2.452 1.317 0.000 0.009 0.000 3/27300 500.0 2.118 2.414 1.292 0.000 0.009 0.000 3/27300 510.0 2.090 2.377 1.268 0.000 0.008 0.000 3/27300 520.0 2.065 2.342 1.245 0.000 0.008 0.000 3/27300 530.0 2.040 2.309 1.222 0.000 0.008 0.000 3/27300 540.0 2.018 2.278 1.201 0.000 0.007 0.000 3/27300 550.0 1.996 2.248 1.181 0.000 0.007 0.000 3/27300 560.0 1.976 2.220 1.161 0.000 0.006 0.000 3/27300 570.0 1.957 2.193 1.142 0.000 0.006 0.000 3/27300 580.0 1.939 2.167 1.124 0.000 0.005 0.000 3/27300 590.0 1.922 2.143 1.107 0.000 0.005 0.000 3/27300 600.0 1.906 2.120 1.090 0.000 0.005 0.000 3/27300 610.0 1.891 2.097 1.074 0.000 0.004 0.000 3/27300 620.0 1.876 2.076 1.058 0.000 0.004 0.000 3/27300 630.0 1.863 2.056 1.043 0.000 0.003 0.000 3/27300 640.0 1.850 2.036 1.029 0.000 0.003 0.000 3/27300 650.0 1.838 2.017 1.015 0.000 0.003 0.000 3/27300 660.0 1.826 1.999 1.001 0.000 0.002 0.000 3/27300 670.0 1.815 1.982 0.988 0.000 0.002 0.000 3/27300 680.0 1.804 1.966 0.975 0.000 0.002 0.000 3/27300 690.0 1.794 1.950 0.962 0.000 0.001 0.000 3/27300 700.0 1.785 1.934 0.950 0.000 0.001 0.000 3/27300 710.0 1.775 1.920 0.939 0.000 0.001 0.000 3/27300 720.0 1.767 1.905 0.927 0.000 0.000 0.000 3/27300 730.0 1.758 1.892 0.916 0.000 -0.000 0.000 3/27300 740.0 1.750 1.878 0.906 0.000 -0.000 0.000 3/27300 750.0 1.742 1.865 0.895 0.000 -0.001 0.000 3/27300 760.0 1.734 1.853 0.885 0.000 -0.001 0.000 3/27300 770.0 1.727 1.841 0.875 0.000 -0.001 0.000 3/27300 780.0 1.720 1.829 0.866 0.000 -0.002 0.000 3/27300 790.0 1.713 1.818 0.856 0.000 -0.002 0.000 3/27300 800.0 1.706 1.807 0.847 0.000 -0.002 0.000 3/27300 810.0 1.700 1.796 0.839 0.000 -0.003 0.000 3/27300 820.0 1.694 1.786 0.830 0.000 -0.003 0.000 3/27300 830.0 1.687 1.776 0.821 0.000 -0.003 0.000 3/27300 840.0 1.681 1.766 0.813 0.000 -0.003 0.000 3/27300 850.0 1.675 1.756 0.805 0.000 -0.004 0.000 3/27300 860.0 1.670 1.747 0.797 0.000 -0.004 0.000 3/27300 870.0 1.664 1.737 0.790 0.000 -0.004 0.000 3/27300 880.0 1.659 1.728 0.782 0.000 -0.004 0.000 3/27300 890.0 1.653 1.720 0.775 0.000 -0.005 0.000 3/27300 900.0 1.648 1.711 0.767 0.000 -0.005 0.000 3/27300 910.0 1.642 1.703 0.760 0.000 -0.005 0.000 3/27300 920.0 1.637 1.694 0.753 0.000 -0.005 0.000 3/27300 930.0 1.632 1.686 0.747 0.000 -0.006 0.000 3/27300 940.0 1.627 1.678 0.740 0.000 -0.006 0.000 3/27300 950.0 1.622 1.670 0.734 0.000 -0.006 0.000 3/27300 960.0 1.617 1.663 0.727 0.000 -0.006 0.000 3/27300 970.0 1.612 1.655 0.721 0.000 -0.006 0.000 3/27300 980.0 1.607 1.648 0.715 0.000 -0.007 0.000 3/27300 990.0 1.603 1.640 0.709 0.000 -0.007 0.000 3/27300 1000.0 1.598 1.633 0.703 0.000 -0.007 0.000 3/27300 Thermal conductivity related properties were written into "kappa-m10137.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 17:41:45]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|