----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 18:44:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [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 5.578994860128123 0.000000000000000 0.000000000000000 b 0.000000000000000 4.467244130000001 0.000000000000000 c -1.570715827053758 0.000000000000000 7.611840955109361 Atomic positions (fractional): *1 Ba 0.31649449092928 0.75000000000000 0.23649627972467 137.327 2 Ba 0.68350550907072 0.25000000000000 0.76350372027532 137.327 *3 N 0.63743748428816 0.25000000000000 0.37870389702572 14.007 *4 N 0.94706751593297 0.75000000000000 0.64592184920433 14.007 *5 N 0.84611368038042 0.25000000000000 0.36554878335918 14.007 6 N 0.05293248406703 0.25000000000000 0.35407815079567 14.007 7 N 0.15388631961958 0.75000000000000 0.63445121664082 14.007 8 N 0.36256251571184 0.75000000000000 0.62129610297428 14.007 *9 Cl 0.76268389915386 0.75000000000000 0.05369203672845 35.453 10 Cl 0.23731610084614 0.25000000000000 0.94630796327155 35.453 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.578994860128123 0.000000000000000 0.000000000000000 b 0.000000000000000 4.467244130000001 0.000000000000000 c -1.570715827053758 0.000000000000000 7.611840955109361 Atomic positions (fractional): *1 Ba 0.31649449092928 0.75000000000000 0.23649627972467 137.327 > 1 2 Ba 0.68350550907072 0.25000000000000 0.76350372027532 137.327 > 2 *3 N 0.63743748428816 0.25000000000000 0.37870389702572 14.007 > 3 *4 N 0.94706751593297 0.75000000000000 0.64592184920433 14.007 > 4 *5 N 0.84611368038042 0.25000000000000 0.36554878335918 14.007 > 5 6 N 0.05293248406703 0.25000000000000 0.35407815079567 14.007 > 6 7 N 0.15388631961958 0.75000000000000 0.63445121664082 14.007 > 7 8 N 0.36256251571184 0.75000000000000 0.62129610297428 14.007 > 8 *9 Cl 0.76268389915386 0.75000000000000 0.05369203672845 35.453 > 9 10 Cl 0.23731610084614 0.25000000000000 0.94630796327155 35.453 > 10 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.157989720256246 0.000000000000000 0.000000000000000 b 0.000000000000000 13.401732390000003 0.000000000000000 c -3.141431654107516 0.000000000000000 15.223681910218723 Atomic positions (fractional): *1 Ba 0.15824724546464 0.25000000000000 0.11824813986234 137.327 > 1 2 Ba 0.65824724546464 0.25000000000000 0.11824813986234 137.327 > 1 3 Ba 0.15824724546464 0.58333333333333 0.11824813986234 137.327 > 1 4 Ba 0.65824724546464 0.58333333333333 0.11824813986234 137.327 > 1 5 Ba 0.15824724546464 0.91666666666667 0.11824813986234 137.327 > 1 6 Ba 0.65824724546464 0.91666666666667 0.11824813986234 137.327 > 1 7 Ba 0.15824724546464 0.25000000000000 0.61824813986234 137.327 > 1 8 Ba 0.65824724546464 0.25000000000000 0.61824813986234 137.327 > 1 9 Ba 0.15824724546464 0.58333333333333 0.61824813986234 137.327 > 1 10 Ba 0.65824724546464 0.58333333333333 0.61824813986234 137.327 > 1 11 Ba 0.15824724546464 0.91666666666667 0.61824813986234 137.327 > 1 12 Ba 0.65824724546464 0.91666666666667 0.61824813986234 137.327 > 1 13 Ba 0.34175275453536 0.08333333333333 0.38175186013766 137.327 > 2 14 Ba 0.84175275453536 0.08333333333333 0.38175186013766 137.327 > 2 15 Ba 0.34175275453536 0.41666666666667 0.38175186013766 137.327 > 2 16 Ba 0.84175275453536 0.41666666666667 0.38175186013766 137.327 > 2 17 Ba 0.34175275453536 0.75000000000000 0.38175186013766 137.327 > 2 18 Ba 0.84175275453536 0.75000000000000 0.38175186013766 137.327 > 2 19 Ba 0.34175275453536 0.08333333333333 0.88175186013766 137.327 > 2 20 Ba 0.84175275453536 0.08333333333333 0.88175186013766 137.327 > 2 21 Ba 0.34175275453536 0.41666666666667 0.88175186013766 137.327 > 2 22 Ba 0.84175275453536 0.41666666666667 0.88175186013766 137.327 > 2 23 Ba 0.34175275453536 0.75000000000000 0.88175186013766 137.327 > 2 24 Ba 0.84175275453536 0.75000000000000 0.88175186013766 137.327 > 2 *25 N 0.31871874214408 0.08333333333333 0.18935194851286 14.007 > 3 26 N 0.81871874214408 0.08333333333333 0.18935194851286 14.007 > 3 27 N 0.31871874214408 0.41666666666667 0.18935194851286 14.007 > 3 28 N 0.81871874214408 0.41666666666667 0.18935194851286 14.007 > 3 29 N 0.31871874214408 0.75000000000000 0.18935194851286 14.007 > 3 30 N 0.81871874214408 0.75000000000000 0.18935194851286 14.007 > 3 31 N 0.31871874214408 0.08333333333333 0.68935194851286 14.007 > 3 32 N 0.81871874214408 0.08333333333333 0.68935194851286 14.007 > 3 33 N 0.31871874214408 0.41666666666667 0.68935194851286 14.007 > 3 34 N 0.81871874214408 0.41666666666667 0.68935194851286 14.007 > 3 35 N 0.31871874214408 0.75000000000000 0.68935194851286 14.007 > 3 36 N 0.81871874214408 0.75000000000000 0.68935194851286 14.007 > 3 *37 N 0.47353375796648 0.25000000000000 0.32296092460217 14.007 > 4 38 N 0.97353375796648 0.25000000000000 0.32296092460217 14.007 > 4 39 N 0.47353375796648 0.58333333333333 0.32296092460217 14.007 > 4 40 N 0.97353375796648 0.58333333333333 0.32296092460217 14.007 > 4 41 N 0.47353375796648 0.91666666666667 0.32296092460217 14.007 > 4 42 N 0.97353375796648 0.91666666666667 0.32296092460217 14.007 > 4 43 N 0.47353375796648 0.25000000000000 0.82296092460217 14.007 > 4 44 N 0.97353375796648 0.25000000000000 0.82296092460217 14.007 > 4 45 N 0.47353375796648 0.58333333333333 0.82296092460217 14.007 > 4 46 N 0.97353375796648 0.58333333333333 0.82296092460217 14.007 > 4 47 N 0.47353375796648 0.91666666666667 0.82296092460217 14.007 > 4 48 N 0.97353375796648 0.91666666666667 0.82296092460217 14.007 > 4 *49 N 0.42305684019021 0.08333333333333 0.18277439167959 14.007 > 5 50 N 0.92305684019021 0.08333333333333 0.18277439167959 14.007 > 5 51 N 0.42305684019021 0.41666666666667 0.18277439167959 14.007 > 5 52 N 0.92305684019021 0.41666666666667 0.18277439167959 14.007 > 5 53 N 0.42305684019021 0.75000000000000 0.18277439167959 14.007 > 5 54 N 0.92305684019021 0.75000000000000 0.18277439167959 14.007 > 5 55 N 0.42305684019021 0.08333333333333 0.68277439167959 14.007 > 5 56 N 0.92305684019021 0.08333333333333 0.68277439167959 14.007 > 5 57 N 0.42305684019021 0.41666666666667 0.68277439167959 14.007 > 5 58 N 0.92305684019021 0.41666666666667 0.68277439167959 14.007 > 5 59 N 0.42305684019021 0.75000000000000 0.68277439167959 14.007 > 5 60 N 0.92305684019021 0.75000000000000 0.68277439167959 14.007 > 5 61 N 0.02646624203352 0.08333333333333 0.17703907539783 14.007 > 6 62 N 0.52646624203352 0.08333333333333 0.17703907539783 14.007 > 6 63 N 0.02646624203352 0.41666666666667 0.17703907539783 14.007 > 6 64 N 0.52646624203352 0.41666666666667 0.17703907539783 14.007 > 6 65 N 0.02646624203352 0.75000000000000 0.17703907539783 14.007 > 6 66 N 0.52646624203352 0.75000000000000 0.17703907539783 14.007 > 6 67 N 0.02646624203352 0.08333333333333 0.67703907539783 14.007 > 6 68 N 0.52646624203352 0.08333333333333 0.67703907539783 14.007 > 6 69 N 0.02646624203352 0.41666666666667 0.67703907539783 14.007 > 6 70 N 0.52646624203352 0.41666666666667 0.67703907539783 14.007 > 6 71 N 0.02646624203352 0.75000000000000 0.67703907539783 14.007 > 6 72 N 0.52646624203352 0.75000000000000 0.67703907539783 14.007 > 6 73 N 0.07694315980979 0.25000000000000 0.31722560832041 14.007 > 7 74 N 0.57694315980979 0.25000000000000 0.31722560832041 14.007 > 7 75 N 0.07694315980979 0.58333333333333 0.31722560832041 14.007 > 7 76 N 0.57694315980979 0.58333333333333 0.31722560832041 14.007 > 7 77 N 0.07694315980979 0.91666666666667 0.31722560832041 14.007 > 7 78 N 0.57694315980979 0.91666666666667 0.31722560832041 14.007 > 7 79 N 0.07694315980979 0.25000000000000 0.81722560832041 14.007 > 7 80 N 0.57694315980979 0.25000000000000 0.81722560832041 14.007 > 7 81 N 0.07694315980979 0.58333333333333 0.81722560832041 14.007 > 7 82 N 0.57694315980979 0.58333333333333 0.81722560832041 14.007 > 7 83 N 0.07694315980979 0.91666666666667 0.81722560832041 14.007 > 7 84 N 0.57694315980979 0.91666666666667 0.81722560832041 14.007 > 7 85 N 0.18128125785592 0.25000000000000 0.31064805148714 14.007 > 8 86 N 0.68128125785592 0.25000000000000 0.31064805148714 14.007 > 8 87 N 0.18128125785592 0.58333333333333 0.31064805148714 14.007 > 8 88 N 0.68128125785592 0.58333333333333 0.31064805148714 14.007 > 8 89 N 0.18128125785592 0.91666666666667 0.31064805148714 14.007 > 8 90 N 0.68128125785592 0.91666666666667 0.31064805148714 14.007 > 8 91 N 0.18128125785592 0.25000000000000 0.81064805148714 14.007 > 8 92 N 0.68128125785592 0.25000000000000 0.81064805148714 14.007 > 8 93 N 0.18128125785592 0.58333333333333 0.81064805148714 14.007 > 8 94 N 0.68128125785592 0.58333333333333 0.81064805148714 14.007 > 8 95 N 0.18128125785592 0.91666666666667 0.81064805148714 14.007 > 8 96 N 0.68128125785592 0.91666666666667 0.81064805148714 14.007 > 8 *97 Cl 0.38134194957693 0.25000000000000 0.02684601836423 35.453 > 9 98 Cl 0.88134194957693 0.25000000000000 0.02684601836423 35.453 > 9 99 Cl 0.38134194957693 0.58333333333333 0.02684601836423 35.453 > 9 100 Cl 0.88134194957693 0.58333333333333 0.02684601836423 35.453 > 9 101 Cl 0.38134194957693 0.91666666666667 0.02684601836423 35.453 > 9 102 Cl 0.88134194957693 0.91666666666667 0.02684601836423 35.453 > 9 103 Cl 0.38134194957693 0.25000000000000 0.52684601836423 35.453 > 9 104 Cl 0.88134194957693 0.25000000000000 0.52684601836423 35.453 > 9 105 Cl 0.38134194957693 0.58333333333333 0.52684601836423 35.453 > 9 106 Cl 0.88134194957693 0.58333333333333 0.52684601836423 35.453 > 9 107 Cl 0.38134194957693 0.91666666666667 0.52684601836423 35.453 > 9 108 Cl 0.88134194957693 0.91666666666667 0.52684601836423 35.453 > 9 109 Cl 0.11865805042307 0.08333333333333 0.47315398163577 35.453 > 10 110 Cl 0.61865805042307 0.08333333333333 0.47315398163577 35.453 > 10 111 Cl 0.11865805042307 0.41666666666667 0.47315398163577 35.453 > 10 112 Cl 0.61865805042307 0.41666666666667 0.47315398163577 35.453 > 10 113 Cl 0.11865805042307 0.75000000000000 0.47315398163577 35.453 > 10 114 Cl 0.61865805042307 0.75000000000000 0.47315398163577 35.453 > 10 115 Cl 0.11865805042307 0.08333333333333 0.97315398163577 35.453 > 10 116 Cl 0.61865805042307 0.08333333333333 0.97315398163577 35.453 > 10 117 Cl 0.11865805042307 0.41666666666667 0.97315398163577 35.453 > 10 118 Cl 0.61865805042307 0.41666666666667 0.97315398163577 35.453 > 10 119 Cl 0.11865805042307 0.75000000000000 0.97315398163577 35.453 > 10 120 Cl 0.61865805042307 0.75000000000000 0.97315398163577 35.453 > 10 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.2160404 0.0000000 -0.1697075 0.0000000 2.9070725 0.0000000 -0.1697075 0.0000000 2.9043869 -------------------------- Born effective charges -------------------------- 1 Ba 3.1704755 0.0000000 -0.1869751 0.0000000 2.6093753 0.0000000 -0.1004938 0.0000000 2.5150171 2 Ba 3.1704755 0.0000000 -0.1869751 0.0000000 2.6093753 0.0000000 -0.1004938 0.0000000 2.5150171 3 N -2.8036511 0.0000000 0.0682490 0.0000000 -0.7300020 0.0000000 0.2207060 0.0000000 -0.8692998 4 N -2.7865049 0.0000000 0.2800144 0.0000000 -0.6743773 0.0000000 0.3687025 0.0000000 -0.4724631 5 N 3.8472520 0.0000000 -0.2309410 0.0000000 -0.1257203 0.0000000 -0.5061221 0.0000000 -0.0371860 6 N -2.7865049 0.0000000 0.2800144 0.0000000 -0.6743773 0.0000000 0.3687025 0.0000000 -0.4724631 7 N 3.8472520 0.0000000 -0.2309410 0.0000000 -0.1257203 0.0000000 -0.5061221 0.0000000 -0.0371860 8 N -2.8036511 0.0000000 0.0682490 0.0000000 -0.7300020 0.0000000 0.2207060 0.0000000 -0.8692998 9 Cl -1.4275715 0.0000000 0.0696527 0.0000000 -1.0792758 0.0000000 0.0172075 0.0000000 -1.1360681 10 Cl -1.4275715 0.0000000 0.0696527 0.0000000 -1.0792758 0.0000000 0.0172075 0.0000000 -1.1360681 ---------------------------------------------------------------------------- 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): 0.004 Solver_block: 100 / 320 - Time: 2.163 Solver_block: 200 / 320 - Time: 2.175 Solver_block: 300 / 320 - Time: 2.171 Solver_block: 320 / 320 - Time: 0.530 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 7.071 --------------------------------- 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 18:45:11]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 18:45:11]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 3 2] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.578994860128123 0.000000000000000 0.000000000000000 b 0.000000000000000 4.467244130000001 0.000000000000000 c -1.570715827053758 0.000000000000000 7.611840955109361 Atomic positions (fractional): 1 Ba 0.31649449092928 0.75000000000000 0.23649627972467 137.327 2 Ba 0.68350550907072 0.25000000000000 0.76350372027532 137.327 3 N 0.63743748428816 0.25000000000000 0.37870389702572 14.007 4 N 0.94706751593297 0.75000000000000 0.64592184920433 14.007 5 N 0.84611368038042 0.25000000000000 0.36554878335918 14.007 6 N 0.05293248406703 0.25000000000000 0.35407815079567 14.007 7 N 0.15388631961958 0.75000000000000 0.63445121664082 14.007 8 N 0.36256251571184 0.75000000000000 0.62129610297428 14.007 9 Cl 0.76268389915386 0.75000000000000 0.05369203672845 35.453 10 Cl 0.23731610084614 0.25000000000000 0.94630796327155 35.453 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.157989720256246 0.000000000000000 0.000000000000000 b 0.000000000000000 13.401732390000003 0.000000000000000 c -3.141431654107516 0.000000000000000 15.223681910218723 Atomic positions (fractional): 1 Ba 0.15824724546464 0.25000000000000 0.11824813986234 137.327 > 1 2 Ba 0.65824724546464 0.25000000000000 0.11824813986234 137.327 > 1 3 Ba 0.15824724546464 0.58333333333333 0.11824813986234 137.327 > 1 4 Ba 0.65824724546464 0.58333333333333 0.11824813986234 137.327 > 1 5 Ba 0.15824724546464 0.91666666666667 0.11824813986234 137.327 > 1 6 Ba 0.65824724546464 0.91666666666667 0.11824813986234 137.327 > 1 7 Ba 0.15824724546464 0.25000000000000 0.61824813986234 137.327 > 1 8 Ba 0.65824724546464 0.25000000000000 0.61824813986234 137.327 > 1 9 Ba 0.15824724546464 0.58333333333333 0.61824813986234 137.327 > 1 10 Ba 0.65824724546464 0.58333333333333 0.61824813986234 137.327 > 1 11 Ba 0.15824724546464 0.91666666666667 0.61824813986234 137.327 > 1 12 Ba 0.65824724546464 0.91666666666667 0.61824813986234 137.327 > 1 13 Ba 0.34175275453536 0.08333333333333 0.38175186013766 137.327 > 13 14 Ba 0.84175275453536 0.08333333333333 0.38175186013766 137.327 > 13 15 Ba 0.34175275453536 0.41666666666667 0.38175186013766 137.327 > 13 16 Ba 0.84175275453536 0.41666666666667 0.38175186013766 137.327 > 13 17 Ba 0.34175275453536 0.75000000000000 0.38175186013766 137.327 > 13 18 Ba 0.84175275453536 0.75000000000000 0.38175186013766 137.327 > 13 19 Ba 0.34175275453536 0.08333333333333 0.88175186013766 137.327 > 13 20 Ba 0.84175275453536 0.08333333333333 0.88175186013766 137.327 > 13 21 Ba 0.34175275453536 0.41666666666667 0.88175186013766 137.327 > 13 22 Ba 0.84175275453536 0.41666666666667 0.88175186013766 137.327 > 13 23 Ba 0.34175275453536 0.75000000000000 0.88175186013766 137.327 > 13 24 Ba 0.84175275453536 0.75000000000000 0.88175186013766 137.327 > 13 25 N 0.31871874214408 0.08333333333333 0.18935194851286 14.007 > 25 26 N 0.81871874214408 0.08333333333333 0.18935194851286 14.007 > 25 27 N 0.31871874214408 0.41666666666667 0.18935194851286 14.007 > 25 28 N 0.81871874214408 0.41666666666667 0.18935194851286 14.007 > 25 29 N 0.31871874214408 0.75000000000000 0.18935194851286 14.007 > 25 30 N 0.81871874214408 0.75000000000000 0.18935194851286 14.007 > 25 31 N 0.31871874214408 0.08333333333333 0.68935194851286 14.007 > 25 32 N 0.81871874214408 0.08333333333333 0.68935194851286 14.007 > 25 33 N 0.31871874214408 0.41666666666667 0.68935194851286 14.007 > 25 34 N 0.81871874214408 0.41666666666667 0.68935194851286 14.007 > 25 35 N 0.31871874214408 0.75000000000000 0.68935194851286 14.007 > 25 36 N 0.81871874214408 0.75000000000000 0.68935194851286 14.007 > 25 37 N 0.47353375796648 0.25000000000000 0.32296092460217 14.007 > 37 38 N 0.97353375796648 0.25000000000000 0.32296092460217 14.007 > 37 39 N 0.47353375796648 0.58333333333333 0.32296092460217 14.007 > 37 40 N 0.97353375796648 0.58333333333333 0.32296092460217 14.007 > 37 41 N 0.47353375796648 0.91666666666667 0.32296092460217 14.007 > 37 42 N 0.97353375796648 0.91666666666667 0.32296092460217 14.007 > 37 43 N 0.47353375796648 0.25000000000000 0.82296092460217 14.007 > 37 44 N 0.97353375796648 0.25000000000000 0.82296092460217 14.007 > 37 45 N 0.47353375796648 0.58333333333333 0.82296092460217 14.007 > 37 46 N 0.97353375796648 0.58333333333333 0.82296092460217 14.007 > 37 47 N 0.47353375796648 0.91666666666667 0.82296092460217 14.007 > 37 48 N 0.97353375796648 0.91666666666667 0.82296092460217 14.007 > 37 49 N 0.42305684019021 0.08333333333333 0.18277439167959 14.007 > 49 50 N 0.92305684019021 0.08333333333333 0.18277439167959 14.007 > 49 51 N 0.42305684019021 0.41666666666667 0.18277439167959 14.007 > 49 52 N 0.92305684019021 0.41666666666667 0.18277439167959 14.007 > 49 53 N 0.42305684019021 0.75000000000000 0.18277439167959 14.007 > 49 54 N 0.92305684019021 0.75000000000000 0.18277439167959 14.007 > 49 55 N 0.42305684019021 0.08333333333333 0.68277439167959 14.007 > 49 56 N 0.92305684019021 0.08333333333333 0.68277439167959 14.007 > 49 57 N 0.42305684019021 0.41666666666667 0.68277439167959 14.007 > 49 58 N 0.92305684019021 0.41666666666667 0.68277439167959 14.007 > 49 59 N 0.42305684019021 0.75000000000000 0.68277439167959 14.007 > 49 60 N 0.92305684019021 0.75000000000000 0.68277439167959 14.007 > 49 61 N 0.02646624203352 0.08333333333333 0.17703907539783 14.007 > 61 62 N 0.52646624203352 0.08333333333333 0.17703907539783 14.007 > 61 63 N 0.02646624203352 0.41666666666667 0.17703907539783 14.007 > 61 64 N 0.52646624203352 0.41666666666667 0.17703907539783 14.007 > 61 65 N 0.02646624203352 0.75000000000000 0.17703907539783 14.007 > 61 66 N 0.52646624203352 0.75000000000000 0.17703907539783 14.007 > 61 67 N 0.02646624203352 0.08333333333333 0.67703907539783 14.007 > 61 68 N 0.52646624203352 0.08333333333333 0.67703907539783 14.007 > 61 69 N 0.02646624203352 0.41666666666667 0.67703907539783 14.007 > 61 70 N 0.52646624203352 0.41666666666667 0.67703907539783 14.007 > 61 71 N 0.02646624203352 0.75000000000000 0.67703907539783 14.007 > 61 72 N 0.52646624203352 0.75000000000000 0.67703907539783 14.007 > 61 73 N 0.07694315980979 0.25000000000000 0.31722560832041 14.007 > 73 74 N 0.57694315980979 0.25000000000000 0.31722560832041 14.007 > 73 75 N 0.07694315980979 0.58333333333333 0.31722560832041 14.007 > 73 76 N 0.57694315980979 0.58333333333333 0.31722560832041 14.007 > 73 77 N 0.07694315980979 0.91666666666667 0.31722560832041 14.007 > 73 78 N 0.57694315980979 0.91666666666667 0.31722560832041 14.007 > 73 79 N 0.07694315980979 0.25000000000000 0.81722560832041 14.007 > 73 80 N 0.57694315980979 0.25000000000000 0.81722560832041 14.007 > 73 81 N 0.07694315980979 0.58333333333333 0.81722560832041 14.007 > 73 82 N 0.57694315980979 0.58333333333333 0.81722560832041 14.007 > 73 83 N 0.07694315980979 0.91666666666667 0.81722560832041 14.007 > 73 84 N 0.57694315980979 0.91666666666667 0.81722560832041 14.007 > 73 85 N 0.18128125785592 0.25000000000000 0.31064805148714 14.007 > 85 86 N 0.68128125785592 0.25000000000000 0.31064805148714 14.007 > 85 87 N 0.18128125785592 0.58333333333333 0.31064805148714 14.007 > 85 88 N 0.68128125785592 0.58333333333333 0.31064805148714 14.007 > 85 89 N 0.18128125785592 0.91666666666667 0.31064805148714 14.007 > 85 90 N 0.68128125785592 0.91666666666667 0.31064805148714 14.007 > 85 91 N 0.18128125785592 0.25000000000000 0.81064805148714 14.007 > 85 92 N 0.68128125785592 0.25000000000000 0.81064805148714 14.007 > 85 93 N 0.18128125785592 0.58333333333333 0.81064805148714 14.007 > 85 94 N 0.68128125785592 0.58333333333333 0.81064805148714 14.007 > 85 95 N 0.18128125785592 0.91666666666667 0.81064805148714 14.007 > 85 96 N 0.68128125785592 0.91666666666667 0.81064805148714 14.007 > 85 97 Cl 0.38134194957693 0.25000000000000 0.02684601836423 35.453 > 97 98 Cl 0.88134194957693 0.25000000000000 0.02684601836423 35.453 > 97 99 Cl 0.38134194957693 0.58333333333333 0.02684601836423 35.453 > 97 100 Cl 0.88134194957693 0.58333333333333 0.02684601836423 35.453 > 97 101 Cl 0.38134194957693 0.91666666666667 0.02684601836423 35.453 > 97 102 Cl 0.88134194957693 0.91666666666667 0.02684601836423 35.453 > 97 103 Cl 0.38134194957693 0.25000000000000 0.52684601836423 35.453 > 97 104 Cl 0.88134194957693 0.25000000000000 0.52684601836423 35.453 > 97 105 Cl 0.38134194957693 0.58333333333333 0.52684601836423 35.453 > 97 106 Cl 0.88134194957693 0.58333333333333 0.52684601836423 35.453 > 97 107 Cl 0.38134194957693 0.91666666666667 0.52684601836423 35.453 > 97 108 Cl 0.88134194957693 0.91666666666667 0.52684601836423 35.453 > 97 109 Cl 0.11865805042307 0.08333333333333 0.47315398163577 35.453 > 109 110 Cl 0.61865805042307 0.08333333333333 0.47315398163577 35.453 > 109 111 Cl 0.11865805042307 0.41666666666667 0.47315398163577 35.453 > 109 112 Cl 0.61865805042307 0.41666666666667 0.47315398163577 35.453 > 109 113 Cl 0.11865805042307 0.75000000000000 0.47315398163577 35.453 > 109 114 Cl 0.61865805042307 0.75000000000000 0.47315398163577 35.453 > 109 115 Cl 0.11865805042307 0.08333333333333 0.97315398163577 35.453 > 109 116 Cl 0.61865805042307 0.08333333333333 0.97315398163577 35.453 > 109 117 Cl 0.11865805042307 0.41666666666667 0.97315398163577 35.453 > 109 118 Cl 0.61865805042307 0.41666666666667 0.97315398163577 35.453 > 109 119 Cl 0.11865805042307 0.75000000000000 0.97315398163577 35.453 > 109 120 Cl 0.61865805042307 0.75000000000000 0.97315398163577 35.453 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.2160404 0.0000000 -0.1697075 0.0000000 2.9070725 0.0000000 -0.1697075 0.0000000 2.9043869 -------------------------- Born effective charges -------------------------- 1 Ba 3.1704755 0.0000000 -0.1869751 0.0000000 2.6093753 0.0000000 -0.1004938 0.0000000 2.5150171 2 Ba 3.1704755 0.0000000 -0.1869751 0.0000000 2.6093753 0.0000000 -0.1004938 0.0000000 2.5150171 3 N -2.8036511 0.0000000 0.0682490 0.0000000 -0.7300020 0.0000000 0.2207060 0.0000000 -0.8692998 4 N -2.7865049 0.0000000 0.2800144 0.0000000 -0.6743773 0.0000000 0.3687025 0.0000000 -0.4724631 5 N 3.8472520 0.0000000 -0.2309410 0.0000000 -0.1257203 0.0000000 -0.5061221 0.0000000 -0.0371860 6 N -2.7865049 0.0000000 0.2800144 0.0000000 -0.6743773 0.0000000 0.3687025 0.0000000 -0.4724631 7 N 3.8472520 0.0000000 -0.2309410 0.0000000 -0.1257203 0.0000000 -0.5061221 0.0000000 -0.0371860 8 N -2.8036511 0.0000000 0.0682490 0.0000000 -0.7300020 0.0000000 0.2207060 0.0000000 -0.8692998 9 Cl -1.4275715 0.0000000 0.0696527 0.0000000 -1.0792758 0.0000000 0.0172075 0.0000000 -1.1360681 10 Cl -1.4275715 0.0000000 0.0696527 0.0000000 -1.0792758 0.0000000 0.0172075 0.0000000 -1.1360681 ---------------------------------------------------------------------------- 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] [-0.0020 0.0000 0.0098] [ 0.0020 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] [-0.0020 0.0000 0.0098] [ 0.0020 0.0000 -0.0098] Computing fc3[ 37, 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] [-0.0020 0.0000 0.0098] [ 0.0020 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] [-0.0020 0.0000 0.0098] [ 0.0020 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] [-0.0020 0.0000 0.0098] [ 0.0020 0.0000 -0.0098] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000003 (xxx) 0.00000003 (xxx) 0.00000003 (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 18:45:29]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 18:45:29]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 3 2] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.578994860128123 0.000000000000000 0.000000000000000 b 0.000000000000000 4.467244130000001 0.000000000000000 c -1.570715827053758 0.000000000000000 7.611840955109361 Atomic positions (fractional): 1 Ba 0.31649449092928 0.75000000000000 0.23649627972467 137.327 2 Ba 0.68350550907072 0.25000000000000 0.76350372027532 137.327 3 N 0.63743748428816 0.25000000000000 0.37870389702572 14.007 4 N 0.94706751593297 0.75000000000000 0.64592184920433 14.007 5 N 0.84611368038042 0.25000000000000 0.36554878335918 14.007 6 N 0.05293248406703 0.25000000000000 0.35407815079567 14.007 7 N 0.15388631961958 0.75000000000000 0.63445121664082 14.007 8 N 0.36256251571184 0.75000000000000 0.62129610297428 14.007 9 Cl 0.76268389915386 0.75000000000000 0.05369203672845 35.453 10 Cl 0.23731610084614 0.25000000000000 0.94630796327155 35.453 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.157989720256246 0.000000000000000 0.000000000000000 b 0.000000000000000 13.401732390000003 0.000000000000000 c -3.141431654107516 0.000000000000000 15.223681910218723 Atomic positions (fractional): 1 Ba 0.15824724546464 0.25000000000000 0.11824813986234 137.327 > 1 2 Ba 0.65824724546464 0.25000000000000 0.11824813986234 137.327 > 1 3 Ba 0.15824724546464 0.58333333333333 0.11824813986234 137.327 > 1 4 Ba 0.65824724546464 0.58333333333333 0.11824813986234 137.327 > 1 5 Ba 0.15824724546464 0.91666666666667 0.11824813986234 137.327 > 1 6 Ba 0.65824724546464 0.91666666666667 0.11824813986234 137.327 > 1 7 Ba 0.15824724546464 0.25000000000000 0.61824813986234 137.327 > 1 8 Ba 0.65824724546464 0.25000000000000 0.61824813986234 137.327 > 1 9 Ba 0.15824724546464 0.58333333333333 0.61824813986234 137.327 > 1 10 Ba 0.65824724546464 0.58333333333333 0.61824813986234 137.327 > 1 11 Ba 0.15824724546464 0.91666666666667 0.61824813986234 137.327 > 1 12 Ba 0.65824724546464 0.91666666666667 0.61824813986234 137.327 > 1 13 Ba 0.34175275453536 0.08333333333333 0.38175186013766 137.327 > 13 14 Ba 0.84175275453536 0.08333333333333 0.38175186013766 137.327 > 13 15 Ba 0.34175275453536 0.41666666666667 0.38175186013766 137.327 > 13 16 Ba 0.84175275453536 0.41666666666667 0.38175186013766 137.327 > 13 17 Ba 0.34175275453536 0.75000000000000 0.38175186013766 137.327 > 13 18 Ba 0.84175275453536 0.75000000000000 0.38175186013766 137.327 > 13 19 Ba 0.34175275453536 0.08333333333333 0.88175186013766 137.327 > 13 20 Ba 0.84175275453536 0.08333333333333 0.88175186013766 137.327 > 13 21 Ba 0.34175275453536 0.41666666666667 0.88175186013766 137.327 > 13 22 Ba 0.84175275453536 0.41666666666667 0.88175186013766 137.327 > 13 23 Ba 0.34175275453536 0.75000000000000 0.88175186013766 137.327 > 13 24 Ba 0.84175275453536 0.75000000000000 0.88175186013766 137.327 > 13 25 N 0.31871874214408 0.08333333333333 0.18935194851286 14.007 > 25 26 N 0.81871874214408 0.08333333333333 0.18935194851286 14.007 > 25 27 N 0.31871874214408 0.41666666666667 0.18935194851286 14.007 > 25 28 N 0.81871874214408 0.41666666666667 0.18935194851286 14.007 > 25 29 N 0.31871874214408 0.75000000000000 0.18935194851286 14.007 > 25 30 N 0.81871874214408 0.75000000000000 0.18935194851286 14.007 > 25 31 N 0.31871874214408 0.08333333333333 0.68935194851286 14.007 > 25 32 N 0.81871874214408 0.08333333333333 0.68935194851286 14.007 > 25 33 N 0.31871874214408 0.41666666666667 0.68935194851286 14.007 > 25 34 N 0.81871874214408 0.41666666666667 0.68935194851286 14.007 > 25 35 N 0.31871874214408 0.75000000000000 0.68935194851286 14.007 > 25 36 N 0.81871874214408 0.75000000000000 0.68935194851286 14.007 > 25 37 N 0.47353375796648 0.25000000000000 0.32296092460217 14.007 > 37 38 N 0.97353375796648 0.25000000000000 0.32296092460217 14.007 > 37 39 N 0.47353375796648 0.58333333333333 0.32296092460217 14.007 > 37 40 N 0.97353375796648 0.58333333333333 0.32296092460217 14.007 > 37 41 N 0.47353375796648 0.91666666666667 0.32296092460217 14.007 > 37 42 N 0.97353375796648 0.91666666666667 0.32296092460217 14.007 > 37 43 N 0.47353375796648 0.25000000000000 0.82296092460217 14.007 > 37 44 N 0.97353375796648 0.25000000000000 0.82296092460217 14.007 > 37 45 N 0.47353375796648 0.58333333333333 0.82296092460217 14.007 > 37 46 N 0.97353375796648 0.58333333333333 0.82296092460217 14.007 > 37 47 N 0.47353375796648 0.91666666666667 0.82296092460217 14.007 > 37 48 N 0.97353375796648 0.91666666666667 0.82296092460217 14.007 > 37 49 N 0.42305684019021 0.08333333333333 0.18277439167959 14.007 > 49 50 N 0.92305684019021 0.08333333333333 0.18277439167959 14.007 > 49 51 N 0.42305684019021 0.41666666666667 0.18277439167959 14.007 > 49 52 N 0.92305684019021 0.41666666666667 0.18277439167959 14.007 > 49 53 N 0.42305684019021 0.75000000000000 0.18277439167959 14.007 > 49 54 N 0.92305684019021 0.75000000000000 0.18277439167959 14.007 > 49 55 N 0.42305684019021 0.08333333333333 0.68277439167959 14.007 > 49 56 N 0.92305684019021 0.08333333333333 0.68277439167959 14.007 > 49 57 N 0.42305684019021 0.41666666666667 0.68277439167959 14.007 > 49 58 N 0.92305684019021 0.41666666666667 0.68277439167959 14.007 > 49 59 N 0.42305684019021 0.75000000000000 0.68277439167959 14.007 > 49 60 N 0.92305684019021 0.75000000000000 0.68277439167959 14.007 > 49 61 N 0.02646624203352 0.08333333333333 0.17703907539783 14.007 > 61 62 N 0.52646624203352 0.08333333333333 0.17703907539783 14.007 > 61 63 N 0.02646624203352 0.41666666666667 0.17703907539783 14.007 > 61 64 N 0.52646624203352 0.41666666666667 0.17703907539783 14.007 > 61 65 N 0.02646624203352 0.75000000000000 0.17703907539783 14.007 > 61 66 N 0.52646624203352 0.75000000000000 0.17703907539783 14.007 > 61 67 N 0.02646624203352 0.08333333333333 0.67703907539783 14.007 > 61 68 N 0.52646624203352 0.08333333333333 0.67703907539783 14.007 > 61 69 N 0.02646624203352 0.41666666666667 0.67703907539783 14.007 > 61 70 N 0.52646624203352 0.41666666666667 0.67703907539783 14.007 > 61 71 N 0.02646624203352 0.75000000000000 0.67703907539783 14.007 > 61 72 N 0.52646624203352 0.75000000000000 0.67703907539783 14.007 > 61 73 N 0.07694315980979 0.25000000000000 0.31722560832041 14.007 > 73 74 N 0.57694315980979 0.25000000000000 0.31722560832041 14.007 > 73 75 N 0.07694315980979 0.58333333333333 0.31722560832041 14.007 > 73 76 N 0.57694315980979 0.58333333333333 0.31722560832041 14.007 > 73 77 N 0.07694315980979 0.91666666666667 0.31722560832041 14.007 > 73 78 N 0.57694315980979 0.91666666666667 0.31722560832041 14.007 > 73 79 N 0.07694315980979 0.25000000000000 0.81722560832041 14.007 > 73 80 N 0.57694315980979 0.25000000000000 0.81722560832041 14.007 > 73 81 N 0.07694315980979 0.58333333333333 0.81722560832041 14.007 > 73 82 N 0.57694315980979 0.58333333333333 0.81722560832041 14.007 > 73 83 N 0.07694315980979 0.91666666666667 0.81722560832041 14.007 > 73 84 N 0.57694315980979 0.91666666666667 0.81722560832041 14.007 > 73 85 N 0.18128125785592 0.25000000000000 0.31064805148714 14.007 > 85 86 N 0.68128125785592 0.25000000000000 0.31064805148714 14.007 > 85 87 N 0.18128125785592 0.58333333333333 0.31064805148714 14.007 > 85 88 N 0.68128125785592 0.58333333333333 0.31064805148714 14.007 > 85 89 N 0.18128125785592 0.91666666666667 0.31064805148714 14.007 > 85 90 N 0.68128125785592 0.91666666666667 0.31064805148714 14.007 > 85 91 N 0.18128125785592 0.25000000000000 0.81064805148714 14.007 > 85 92 N 0.68128125785592 0.25000000000000 0.81064805148714 14.007 > 85 93 N 0.18128125785592 0.58333333333333 0.81064805148714 14.007 > 85 94 N 0.68128125785592 0.58333333333333 0.81064805148714 14.007 > 85 95 N 0.18128125785592 0.91666666666667 0.81064805148714 14.007 > 85 96 N 0.68128125785592 0.91666666666667 0.81064805148714 14.007 > 85 97 Cl 0.38134194957693 0.25000000000000 0.02684601836423 35.453 > 97 98 Cl 0.88134194957693 0.25000000000000 0.02684601836423 35.453 > 97 99 Cl 0.38134194957693 0.58333333333333 0.02684601836423 35.453 > 97 100 Cl 0.88134194957693 0.58333333333333 0.02684601836423 35.453 > 97 101 Cl 0.38134194957693 0.91666666666667 0.02684601836423 35.453 > 97 102 Cl 0.88134194957693 0.91666666666667 0.02684601836423 35.453 > 97 103 Cl 0.38134194957693 0.25000000000000 0.52684601836423 35.453 > 97 104 Cl 0.88134194957693 0.25000000000000 0.52684601836423 35.453 > 97 105 Cl 0.38134194957693 0.58333333333333 0.52684601836423 35.453 > 97 106 Cl 0.88134194957693 0.58333333333333 0.52684601836423 35.453 > 97 107 Cl 0.38134194957693 0.91666666666667 0.52684601836423 35.453 > 97 108 Cl 0.88134194957693 0.91666666666667 0.52684601836423 35.453 > 97 109 Cl 0.11865805042307 0.08333333333333 0.47315398163577 35.453 > 109 110 Cl 0.61865805042307 0.08333333333333 0.47315398163577 35.453 > 109 111 Cl 0.11865805042307 0.41666666666667 0.47315398163577 35.453 > 109 112 Cl 0.61865805042307 0.41666666666667 0.47315398163577 35.453 > 109 113 Cl 0.11865805042307 0.75000000000000 0.47315398163577 35.453 > 109 114 Cl 0.61865805042307 0.75000000000000 0.47315398163577 35.453 > 109 115 Cl 0.11865805042307 0.08333333333333 0.97315398163577 35.453 > 109 116 Cl 0.61865805042307 0.08333333333333 0.97315398163577 35.453 > 109 117 Cl 0.11865805042307 0.41666666666667 0.97315398163577 35.453 > 109 118 Cl 0.61865805042307 0.41666666666667 0.97315398163577 35.453 > 109 119 Cl 0.11865805042307 0.75000000000000 0.97315398163577 35.453 > 109 120 Cl 0.61865805042307 0.75000000000000 0.97315398163577 35.453 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.2160404 0.0000000 -0.1697075 0.0000000 2.9070725 0.0000000 -0.1697075 0.0000000 2.9043869 -------------------------- Born effective charges -------------------------- 1 Ba 3.1704755 0.0000000 -0.1869751 0.0000000 2.6093753 0.0000000 -0.1004938 0.0000000 2.5150171 2 Ba 3.1704755 0.0000000 -0.1869751 0.0000000 2.6093753 0.0000000 -0.1004938 0.0000000 2.5150171 3 N -2.8036511 0.0000000 0.0682490 0.0000000 -0.7300020 0.0000000 0.2207060 0.0000000 -0.8692998 4 N -2.7865049 0.0000000 0.2800144 0.0000000 -0.6743773 0.0000000 0.3687025 0.0000000 -0.4724631 5 N 3.8472520 0.0000000 -0.2309410 0.0000000 -0.1257203 0.0000000 -0.5061221 0.0000000 -0.0371860 6 N -2.7865049 0.0000000 0.2800144 0.0000000 -0.6743773 0.0000000 0.3687025 0.0000000 -0.4724631 7 N 3.8472520 0.0000000 -0.2309410 0.0000000 -0.1257203 0.0000000 -0.5061221 0.0000000 -0.0371860 8 N -2.8036511 0.0000000 0.0682490 0.0000000 -0.7300020 0.0000000 0.2207060 0.0000000 -0.8692998 9 Cl -1.4275715 0.0000000 0.0696527 0.0000000 -1.0792758 0.0000000 0.0172075 0.0000000 -1.1360681 10 Cl -1.4275715 0.0000000 0.0696527 0.0000000 -1.0792758 0.0000000 0.0172075 0.0000000 -1.1360681 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000003 (xxx) 0.00000003 (xxx) 0.00000003 (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 ... [ 9 11 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: 0.72, Number of G-points: 303, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/192) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 192 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 1.879 ( 0.000 0.000 0.000) 0.000 2.055 ( 0.000 0.000 0.000) 0.000 3.345 ( 0.000 0.000 0.000) 0.000 3.519 ( 0.000 0.000 0.000) 0.000 3.927 ( 0.000 0.000 0.000) 0.000 3.969 ( 0.000 0.000 0.000) 0.000 4.313 ( 0.000 0.000 0.000) 0.000 4.368 ( 0.000 0.000 0.000) 0.000 4.375 ( 0.000 0.000 0.000) 0.000 4.526 ( 0.000 0.000 0.000) 0.000 4.599 ( 0.000 0.000 0.000) 0.000 4.813 ( 0.000 0.000 0.000) 0.000 5.317 ( 0.000 0.000 0.000) 0.000 5.325 ( 0.000 0.000 0.000) 0.000 5.440 ( 0.000 0.000 0.000) 0.000 5.912 ( 0.000 0.000 0.000) 0.000 5.931 ( 0.000 0.000 0.000) 0.000 6.052 ( 0.000 0.000 0.000) 0.000 6.204 ( 0.000 0.000 0.000) 0.000 18.744 ( 0.000 0.000 0.000) 0.000 18.858 ( 0.000 0.000 0.000) 0.000 19.060 ( 0.000 0.000 0.000) 0.000 19.206 ( 0.000 0.000 0.000) 0.000 41.837 ( 0.000 0.000 0.000) 0.000 41.866 ( 0.000 0.000 0.000) 0.000 65.920 ( 0.000 0.000 0.000) 0.000 66.314 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/192) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.360 ( 18.407 0.000 3.439) 18.725 0.511 ( 23.638 0.000 7.481) 24.793 0.932 ( 44.904 0.000 2.603) 44.980 2.059 ( 0.743 0.000 -1.940) 2.077 2.083 ( 19.187 0.000 -0.623) 19.197 3.280 ( -6.452 0.000 0.043) 6.453 3.723 ( -5.254 0.000 17.959) 18.712 3.933 ( 0.346 0.000 0.489) 0.599 4.045 ( 6.143 0.000 -3.337) 6.991 4.280 ( -0.934 0.000 -10.516) 10.558 4.382 ( -0.759 0.000 10.494) 10.521 4.409 ( 0.228 0.000 2.840) 2.849 4.557 ( 4.155 0.000 1.593) 4.450 4.801 ( -0.735 0.000 -0.822) 1.103 5.210 ( -4.400 0.000 -14.026) 14.700 5.293 ( -2.993 0.000 -0.279) 3.006 5.411 ( -0.019 0.000 0.414) 0.414 5.905 ( -1.869 0.000 -0.332) 1.898 5.926 ( 2.252 0.000 -1.135) 2.522 6.090 ( 2.960 0.000 0.256) 2.971 6.121 ( 3.215 0.000 -13.613) 13.988 6.627 ( -3.286 0.000 7.754) 8.421 18.751 ( -0.693 0.000 1.939) 2.059 18.858 ( -0.036 0.000 -0.080) 0.088 19.059 ( -0.014 0.000 0.022) 0.026 19.206 ( 0.014 0.000 -0.041) 0.043 41.837 ( -0.419 0.000 -0.159) 0.448 41.861 ( -0.285 0.000 -0.738) 0.791 65.974 ( 4.528 0.000 2.901) 5.377 67.936 ( 7.839 0.000 -36.279) 37.116 ======================= Grid point 2 (3/192) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.768 ( 20.863 0.000 4.573) 21.358 0.993 ( 21.508 0.000 6.920) 22.594 1.777 ( 38.235 0.000 -0.099) 38.236 2.064 ( 0.642 0.000 -3.203) 3.267 2.553 ( 25.998 0.000 -1.071) 26.020 3.098 ( -11.296 0.000 0.822) 11.325 3.686 ( -2.853 0.000 5.609) 6.293 3.936 ( -0.599 0.000 1.352) 1.479 4.197 ( -2.794 0.000 -10.371) 10.741 4.199 ( 8.872 0.000 0.190) 8.874 4.379 ( -4.089 0.000 5.730) 7.039 4.428 ( 1.204 0.000 9.842) 9.915 4.677 ( 4.951 0.000 1.145) 5.082 4.802 ( 2.143 0.000 0.293) 2.163 5.055 ( -6.228 0.000 -8.786) 10.770 5.211 ( -4.844 0.000 -0.711) 4.895 5.374 ( -2.865 0.000 -0.731) 2.957 5.869 ( -1.474 0.000 -0.357) 1.517 5.975 ( 1.659 0.000 -5.549) 5.792 6.107 ( 0.172 0.000 -4.269) 4.272 6.152 ( 2.947 0.000 0.240) 2.957 6.591 ( -2.863 0.000 6.425) 7.034 18.744 ( -0.549 0.000 0.720) 0.906 18.856 ( -0.062 0.000 -0.099) 0.117 19.059 ( -0.021 0.000 0.033) 0.039 19.206 ( 0.023 0.000 -0.062) 0.066 41.827 ( -0.412 0.000 -0.201) 0.458 41.851 ( -0.251 0.000 -1.196) 1.222 66.106 ( 6.559 0.000 4.484) 7.945 67.941 ( 3.506 0.000 -16.310) 16.682 ======================= Grid point 3 (4/192) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.222 ( 22.230 0.000 5.695) 22.948 1.412 ( 17.520 0.000 5.945) 18.501 2.048 ( -1.232 0.000 -3.668) 3.869 2.341 ( 12.812 0.000 -6.985) 14.593 2.894 ( 3.405 0.000 -2.401) 4.166 3.064 ( 16.457 0.000 6.354) 17.641 3.665 ( -1.004 0.000 2.722) 2.901 3.918 ( -1.801 0.000 2.084) 2.755 4.097 ( -2.959 0.000 -8.029) 8.556 4.317 ( -3.652 0.000 3.852) 5.309 4.364 ( 7.309 0.000 -1.101) 7.391 4.508 ( 3.050 0.000 7.018) 7.652 4.736 ( 0.680 0.000 1.571) 1.712 4.863 ( -1.006 0.000 1.845) 2.101 4.941 ( 1.687 0.000 -1.608) 2.331 5.106 ( -5.032 0.000 -1.194) 5.172 5.313 ( -2.189 0.000 -3.188) 3.867 5.845 ( -0.857 0.000 -0.263) 0.896 5.857 ( -8.915 0.000 -9.699) 13.174 6.150 ( 3.259 0.000 1.408) 3.550 6.203 ( 1.987 0.000 0.160) 1.994 6.573 ( -1.320 0.000 4.726) 4.907 18.737 ( -0.364 0.000 0.270) 0.453 18.855 ( -0.057 0.000 -0.068) 0.089 19.059 ( -0.019 0.000 0.028) 0.034 19.207 ( 0.021 0.000 -0.054) 0.058 41.821 ( -0.178 0.000 -0.034) 0.182 41.843 ( -0.036 0.000 -1.156) 1.156 66.248 ( 5.454 0.000 3.985) 6.755 67.940 ( 1.405 0.000 -8.208) 8.328 ======================= Grid point 4 (5/192) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.679 ( 19.752 0.000 6.049) 20.657 1.719 ( 10.290 0.000 4.051) 11.059 1.976 ( -4.146 0.000 -3.239) 5.261 2.185 ( -15.407 0.000 -7.437) 17.107 3.120 ( 10.962 0.000 0.290) 10.966 3.318 ( 5.447 0.000 1.757) 5.723 3.663 ( -0.293 0.000 1.444) 1.474 3.891 ( -1.155 0.000 1.054) 1.563 4.031 ( -1.143 0.000 -3.152) 3.353 4.275 ( -1.469 0.000 1.347) 1.993 4.478 ( 5.037 0.000 -3.003) 5.864 4.586 ( 2.003 0.000 2.826) 3.464 4.654 ( -6.416 0.000 1.787) 6.660 4.930 ( 5.287 0.000 3.669) 6.436 5.018 ( 2.859 0.000 0.051) 2.860 5.019 ( -2.566 0.000 -0.847) 2.702 5.269 ( -0.951 0.000 -1.839) 2.071 5.625 ( -8.351 0.000 -5.217) 9.846 5.833 ( -0.280 0.000 -0.096) 0.296 6.204 ( 1.346 0.000 0.526) 1.445 6.230 ( 0.691 0.000 0.055) 0.693 6.572 ( -0.305 0.000 1.719) 1.746 18.733 ( -0.125 0.000 0.065) 0.141 18.854 ( -0.023 0.000 -0.023) 0.032 19.059 ( -0.008 0.000 0.011) 0.013 19.207 ( 0.009 0.000 -0.021) 0.023 41.819 ( -0.032 0.000 0.036) 0.048 41.840 ( 0.035 0.000 -0.494) 0.495 66.338 ( 2.089 0.000 1.587) 2.623 67.933 ( 0.306 0.000 -2.573) 2.591 ======================= Grid point 9 (6/192) ======================= q-point: ( 0.00 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.470 ( 0.000 22.863 0.000) 22.863 0.523 ( 0.000 25.204 0.000) 25.204 0.799 ( 0.000 38.710 0.000) 38.710 1.897 ( 0.000 1.701 0.000) 1.701 2.193 ( 0.000 12.765 0.000) 12.765 3.290 ( 0.000 -5.391 0.000) 5.391 3.479 ( 0.000 -3.815 0.000) 3.815 3.960 ( 0.000 -0.637 0.000) 0.637 4.063 ( 0.000 -5.486 0.000) 5.486 4.376 ( 0.000 0.642 0.000) 0.642 4.398 ( 0.000 0.128 0.000) 0.128 4.538 ( 0.000 1.478 0.000) 1.478 4.616 ( 0.000 1.529 0.000) 1.529 4.801 ( 0.000 -0.848 0.000) 0.848 5.184 ( 0.000 -9.146 0.000) 9.146 5.301 ( 0.000 -1.457 0.000) 1.457 5.538 ( 0.000 4.993 0.000) 4.993 5.885 ( 0.000 -2.417 0.000) 2.417 5.911 ( 0.000 -1.248 0.000) 1.248 6.039 ( 0.000 1.077 0.000) 1.077 6.226 ( 0.000 -1.448 0.000) 1.448 6.239 ( 0.000 2.791 0.000) 2.791 18.744 ( 0.000 -0.039 0.000) 0.039 18.851 ( 0.000 -0.641 0.000) 0.641 19.145 ( 0.000 0.610 0.000) 0.610 19.209 ( 0.000 0.276 0.000) 0.276 41.838 ( 0.000 0.111 0.000) 0.111 41.865 ( 0.000 -0.080 0.000) 0.080 65.923 ( 0.000 0.306 0.000) 0.306 66.302 ( 0.000 -1.198 0.000) 1.198 ======================= Grid point 10 (7/192) ======================= q-point: ( 0.11 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.580 ( 10.690 18.977 -5.104) 22.371 0.741 ( 17.760 16.638 3.996) 24.662 1.203 ( 31.790 23.725 5.768) 40.084 2.090 ( 17.910 0.929 -0.372) 17.938 2.192 ( 0.600 12.035 -2.340) 12.275 3.235 ( -5.654 -4.430 0.499) 7.200 3.580 ( 1.563 -8.698 8.226) 12.073 3.996 ( 3.279 -2.493 -1.483) 4.378 4.078 ( -2.754 2.093 2.914) 4.523 4.153 ( -5.607 -0.862 -2.456) 6.181 4.359 ( -3.306 0.855 0.827) 3.513 4.494 ( 7.298 -1.659 -1.258) 7.589 4.746 ( -1.278 10.897 5.152) 12.121 4.793 ( -0.500 0.804 -1.096) 1.448 5.110 ( -3.678 -6.885 -6.786) 10.343 5.313 ( 0.553 -0.103 -0.414) 0.698 5.460 ( -4.168 3.781 -3.990) 6.898 5.762 ( -5.194 -7.160 -4.425) 9.890 5.935 ( 2.322 -2.266 3.237) 4.583 6.095 ( 2.122 1.557 0.517) 2.682 6.233 ( 3.838 6.624 -9.493) 12.195 6.475 ( 5.577 -9.913 8.636) 14.281 18.746 ( -0.236 -0.281 1.024) 1.088 18.850 ( -0.056 -0.673 -0.159) 0.694 19.098 ( -1.889 2.452 -0.056) 3.096 19.210 ( -0.020 0.299 0.047) 0.303 41.836 ( -0.215 -0.012 -0.119) 0.246 41.849 ( -0.758 -0.626 -0.375) 1.052 65.967 ( 4.032 -0.599 2.507) 4.785 67.263 ( 43.134 -39.343 -17.067) 60.825 ======================= Grid point 11 (8/192) ======================= q-point: ( 0.22 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.864 ( 17.807 9.872 -0.036) 20.360 1.133 ( 18.741 11.502 6.011) 22.796 1.892 ( 32.729 10.791 1.073) 34.479 2.178 ( -0.209 10.585 -3.138) 11.042 2.546 ( 25.197 -0.597 -1.075) 25.227 3.074 ( -10.197 -2.281 1.640) 10.577 3.589 ( -1.365 -8.272 3.401) 9.047 3.921 ( -4.565 -2.232 0.260) 5.088 4.117 ( 2.126 -5.162 1.116) 5.693 4.219 ( 6.625 1.194 -3.080) 7.403 4.291 ( -3.021 -1.456 2.973) 4.482 4.634 ( 5.915 -0.133 -2.090) 6.275 4.688 ( -5.735 11.001 7.116) 14.302 4.801 ( 2.352 -0.006 0.195) 2.360 5.004 ( -4.171 -3.460 -4.586) 7.099 5.274 ( -5.283 4.507 -2.714) 7.456 5.371 ( -2.142 -0.201 -0.407) 2.189 5.672 ( -3.002 -11.993 -4.501) 13.157 5.998 ( 3.025 -4.248 2.331) 5.712 6.123 ( 0.772 3.823 -0.844) 3.991 6.253 ( 0.571 6.337 -5.677) 8.527 6.557 ( 1.652 -2.025 5.925) 6.475 18.742 ( -0.443 -0.167 0.551) 0.726 18.848 ( -0.040 -0.703 -0.121) 0.714 19.078 ( -0.474 1.616 0.016) 1.684 19.209 ( -0.032 0.246 -0.019) 0.249 41.828 ( -0.452 0.037 -0.150) 0.478 41.838 ( -0.102 -0.922 -0.937) 1.318 66.084 ( 5.861 -1.952 4.024) 7.373 67.687 ( 12.443 -21.617 -12.542) 27.918 ======================= Grid point 12 (9/192) ======================= q-point: ( 0.33 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.257 ( 20.340 4.333 3.168) 21.036 1.513 ( 16.526 8.478 5.452) 19.357 2.143 ( -2.201 8.859 -3.469) 9.765 2.366 ( 9.299 2.320 -6.151) 11.388 2.903 ( 4.991 0.946 -1.885) 5.418 3.042 ( 15.340 -2.115 6.598) 16.833 3.586 ( 0.414 -6.899 0.816) 6.960 3.862 ( -2.050 -4.590 1.227) 5.175 4.089 ( -3.175 -0.860 -4.446) 5.531 4.263 ( -0.047 -5.118 6.052) 7.926 4.365 ( 6.690 0.223 -3.216) 7.426 4.601 ( -4.532 7.094 5.617) 10.120 4.710 ( 1.950 -2.145 -1.467) 3.249 4.837 ( -0.785 -2.159 2.127) 3.131 4.970 ( 3.297 2.630 -0.383) 4.235 5.134 ( -6.565 2.878 -0.039) 7.168 5.342 ( -0.915 2.153 -3.383) 4.112 5.569 ( -5.953 -13.558 -4.732) 15.545 6.060 ( 1.664 -3.833 0.406) 4.199 6.123 ( 0.274 9.038 -1.471) 9.161 6.219 ( -1.729 0.277 -0.881) 1.960 6.615 ( 2.067 4.249 3.532) 5.899 18.736 ( -0.333 -0.109 0.212) 0.410 18.847 ( -0.039 -0.680 -0.064) 0.685 19.072 ( -0.143 1.244 0.021) 1.252 19.208 ( -0.021 0.168 -0.034) 0.173 41.821 ( -0.232 -0.102 -0.067) 0.262 41.835 ( 0.169 -0.534 -0.939) 1.094 66.212 ( 4.846 -3.396 3.595) 6.924 67.795 ( 4.027 -13.363 -7.030) 15.628 ======================= Grid point 13 (10/192) ======================= q-point: ( 0.44 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.667 ( 17.579 0.957 4.622) 18.202 1.806 ( 9.074 6.249 2.567) 11.312 2.059 ( -3.802 7.286 -1.805) 8.414 2.213 ( -13.416 2.808 -6.336) 15.101 3.111 ( 9.715 -0.802 0.498) 9.760 3.278 ( 4.336 -3.762 1.819) 6.022 3.606 ( 0.941 -4.940 0.092) 5.030 3.844 ( -0.337 -4.060 0.874) 4.166 4.019 ( -1.689 -1.131 -1.952) 2.818 4.276 ( -0.434 -1.696 2.056) 2.701 4.475 ( 5.255 -0.685 -2.708) 5.951 4.565 ( -0.931 -0.352 2.366) 2.567 4.651 ( -5.280 -0.736 0.480) 5.352 4.918 ( 5.857 -0.994 3.319) 6.805 4.995 ( -1.634 0.783 -1.020) 2.079 5.086 ( 1.196 3.799 1.260) 4.178 5.307 ( -0.875 3.119 -2.290) 3.967 5.409 ( -6.612 -13.291 -3.330) 15.214 6.053 ( -0.747 12.484 -1.211) 12.565 6.145 ( 1.095 -4.463 0.798) 4.664 6.194 ( -0.699 -2.402 0.056) 2.502 6.657 ( 0.916 7.143 1.142) 7.292 18.732 ( -0.118 -0.093 0.049) 0.158 18.847 ( -0.017 -0.661 -0.019) 0.662 19.071 ( -0.034 1.131 0.008) 1.132 19.208 ( -0.007 0.119 -0.015) 0.120 41.818 ( -0.046 -0.104 -0.014) 0.114 41.836 ( 0.112 -0.311 -0.384) 0.507 66.291 ( 1.847 -4.333 1.431) 4.923 67.821 ( 0.919 -10.674 -2.267) 10.951 ======================= Grid point 18 (11/192) ======================= q-point: ( 0.00 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.926 ( 0.000 21.813 0.000) 21.813 1.015 ( 0.000 22.850 0.000) 22.850 1.563 ( 0.000 35.971 0.000) 35.971 1.944 ( 0.000 2.795 0.000) 2.795 2.525 ( 0.000 18.417 0.000) 18.417 3.131 ( 0.000 -9.936 0.000) 9.936 3.376 ( 0.000 -5.654 0.000) 5.654 3.947 ( 0.000 -5.566 0.000) 5.566 3.952 ( 0.000 -0.131 0.000) 0.131 4.353 ( 0.000 -3.971 0.000) 3.971 4.385 ( 0.000 0.066 0.000) 0.066 4.546 ( 0.000 -2.183 0.000) 2.183 4.657 ( 0.000 2.445 0.000) 2.445 4.807 ( 0.000 2.105 0.000) 2.105 5.006 ( 0.000 -7.719 0.000) 7.719 5.262 ( 0.000 -2.227 0.000) 2.227 5.598 ( 0.000 0.901 0.000) 0.901 5.820 ( 0.000 -3.867 0.000) 3.867 5.906 ( 0.000 0.881 0.000) 0.881 6.065 ( 0.000 1.370 0.000) 1.370 6.183 ( 0.000 -2.666 0.000) 2.666 6.292 ( 0.000 1.997 0.000) 1.997 18.743 ( 0.000 -0.009 0.000) 0.009 18.834 ( 0.000 -1.037 0.000) 1.037 19.162 ( 0.000 0.984 0.000) 0.984 19.216 ( 0.000 0.411 0.000) 0.411 41.841 ( 0.000 0.186 0.000) 0.186 41.863 ( 0.000 -0.127 0.000) 0.127 65.934 ( 0.000 0.718 0.000) 0.718 66.267 ( 0.000 -2.205 0.000) 2.205 ======================= Grid point 19 (12/192) ======================= q-point: ( 0.11 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.000 ( 5.294 20.746 -4.175) 21.814 1.106 ( 11.393 18.646 0.103) 21.851 1.763 ( 16.931 28.929 5.051) 33.898 2.118 ( 16.548 1.951 -0.134) 16.663 2.506 ( -1.143 17.566 -2.842) 17.831 3.101 ( -3.408 -8.570 1.482) 9.341 3.404 ( 0.133 -8.206 3.288) 8.841 3.900 ( -1.039 -5.027 0.713) 5.183 4.072 ( 6.292 -0.746 -0.781) 6.384 4.226 ( -12.436 4.075 -1.325) 13.153 4.356 ( -4.057 -1.867 3.235) 5.515 4.447 ( 6.117 -2.216 -2.481) 6.963 4.736 ( 1.613 -3.361 -0.495) 3.761 4.935 ( 6.213 5.352 0.159) 8.202 4.966 ( -2.503 -7.038 -2.537) 7.889 5.297 ( 2.673 -1.104 0.541) 2.942 5.523 ( -5.089 1.945 -4.898) 7.326 5.672 ( -13.403 -1.556 -1.871) 13.622 5.870 ( 1.809 -3.858 4.150) 5.947 6.097 ( -0.999 -2.470 3.404) 4.323 6.313 ( 7.599 -0.655 -3.395) 8.348 6.375 ( 8.374 2.616 1.144) 8.848 18.743 ( -0.155 -0.094 0.343) 0.388 18.832 ( -0.084 -1.013 -0.139) 1.026 19.140 ( -1.515 1.737 -0.106) 2.307 19.217 ( -0.049 0.384 0.125) 0.407 41.839 ( -0.197 0.210 -0.062) 0.295 41.841 ( -1.493 -0.170 -0.155) 1.511 65.956 ( 2.529 -0.366 1.734) 3.088 66.704 ( 32.671 -17.857 -5.621) 37.654 ======================= Grid point 20 (13/192) ======================= q-point: ( 0.22 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.141 ( 11.170 16.080 -3.749) 19.935 1.392 ( 15.160 13.183 3.223) 20.346 2.170 ( 19.750 14.773 1.459) 24.707 2.457 ( -1.762 15.701 -3.371) 16.155 2.539 ( 22.825 0.392 -0.086) 22.828 3.006 ( -6.682 -4.484 3.172) 8.649 3.400 ( -0.324 -9.140 1.258) 9.232 3.848 ( -4.947 -4.180 0.690) 6.513 4.037 ( -1.574 -2.958 2.112) 3.961 4.227 ( 1.105 -0.810 -4.718) 4.913 4.284 ( -0.455 0.580 3.926) 3.995 4.565 ( 4.462 -4.306 -1.296) 6.335 4.777 ( 2.191 -1.472 0.518) 2.690 4.896 ( -2.549 -0.201 -0.536) 2.613 4.972 ( -1.824 5.508 -0.335) 5.812 5.348 ( 0.608 1.540 -2.618) 3.097 5.383 ( -6.060 2.346 0.060) 6.499 5.455 ( -6.998 -8.210 -2.483) 11.070 5.898 ( 0.595 -5.260 1.448) 5.488 6.111 ( 0.560 -5.145 3.600) 6.304 6.378 ( 2.132 5.891 -4.959) 7.990 6.575 ( 9.056 3.855 2.259) 10.098 18.739 ( -0.322 -0.116 0.250) 0.423 18.830 ( -0.046 -1.012 -0.106) 1.018 19.116 ( -0.839 1.942 -0.027) 2.116 19.215 ( -0.135 0.326 0.053) 0.356 41.818 ( -0.623 -0.611 -0.394) 0.958 41.835 ( -0.138 0.274 -0.199) 0.365 66.036 ( 4.056 -2.531 2.930) 5.607 67.211 ( 19.260 -22.782 -6.741) 30.584 ======================= Grid point 21 (14/192) ======================= q-point: ( 0.33 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.406 ( 15.634 9.856 -0.189) 18.482 1.706 ( 14.373 9.635 3.183) 17.595 2.362 ( -4.381 9.788 -5.238) 11.935 2.434 ( 1.502 5.836 -2.286) 6.445 2.932 ( 7.833 1.734 -0.848) 8.068 2.978 ( 11.725 -4.200 7.075) 14.323 3.432 ( 3.547 -6.901 -1.191) 7.850 3.769 ( -2.589 -3.955 0.843) 4.802 4.047 ( -0.607 -4.059 -1.229) 4.284 4.148 ( -2.987 -4.878 4.244) 7.123 4.364 ( 4.658 -0.542 -2.636) 5.379 4.596 ( -1.205 -5.061 2.236) 5.662 4.757 ( -5.226 -0.299 1.921) 5.576 4.832 ( -0.692 5.716 -1.874) 6.055 5.023 ( 6.110 1.485 -0.143) 6.289 5.209 ( -7.616 3.880 0.057) 8.548 5.309 ( -5.878 -8.846 -4.628) 11.585 5.396 ( -0.002 1.231 -0.071) 1.233 5.930 ( 2.093 -7.355 1.314) 7.760 6.127 ( -0.313 -5.273 1.846) 5.595 6.378 ( -0.007 11.042 -3.040) 11.453 6.735 ( 6.141 6.921 1.279) 9.340 18.733 ( -0.277 -0.087 0.086) 0.302 18.830 ( -0.027 -1.010 -0.039) 1.011 19.105 ( -0.326 1.796 -0.000) 1.825 19.213 ( -0.115 0.232 0.007) 0.259 41.812 ( 0.105 -0.558 -0.365) 0.675 41.832 ( -0.028 0.164 -0.269) 0.316 66.124 ( 3.320 -4.731 2.651) 6.359 67.445 ( 7.778 -19.875 -4.601) 21.833 ======================= Grid point 22 (15/192) ======================= q-point: ( 0.44 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.728 ( 14.622 4.855 2.528) 15.613 1.943 ( 5.367 6.635 -0.146) 8.535 2.215 ( -5.212 6.559 -1.465) 8.505 2.313 ( -8.345 7.385 -2.492) 11.419 3.090 ( 6.648 -1.201 1.199) 6.861 3.176 ( 3.331 -5.923 1.310) 6.920 3.498 ( 2.330 -4.939 -1.044) 5.560 3.753 ( 0.224 -4.329 0.384) 4.352 3.990 ( -2.061 -1.435 -1.369) 2.860 4.170 ( 1.006 -7.890 3.292) 8.609 4.436 ( 3.290 -3.444 -2.731) 5.491 4.557 ( -2.490 -2.088 2.659) 4.200 4.653 ( -3.666 1.434 0.209) 3.942 4.906 ( 6.412 0.608 0.282) 6.447 5.058 ( -3.138 4.848 0.107) 5.775 5.145 ( -2.601 -9.624 -2.825) 10.362 5.160 ( -2.583 1.268 0.658) 2.951 5.386 ( -0.532 3.714 -0.744) 3.825 5.978 ( 1.694 -8.513 0.730) 8.710 6.115 ( -0.993 -4.519 0.355) 4.640 6.366 ( -0.166 14.170 -0.931) 14.201 6.823 ( 2.184 8.551 0.417) 8.836 18.730 ( -0.103 -0.069 0.013) 0.125 18.829 ( -0.011 -1.003 -0.007) 1.003 19.101 ( -0.082 1.708 0.002) 1.710 19.211 ( -0.043 0.166 -0.002) 0.171 41.815 ( 0.188 -0.139 -0.134) 0.269 41.831 ( -0.029 -0.137 -0.131) 0.192 66.179 ( 1.247 -6.132 1.057) 6.346 67.522 ( 1.964 -17.978 -1.582) 18.154 ======================= Grid point 27 (16/192) ======================= q-point: ( 0.00 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.352 ( 0.000 19.935 0.000) 19.935 1.439 ( 0.000 18.429 0.000) 18.429 1.999 ( 0.000 2.640 0.000) 2.640 2.248 ( 0.000 30.439 0.000) 30.439 2.877 ( 0.000 14.202 0.000) 14.202 2.901 ( 0.000 -12.210 0.000) 12.210 3.296 ( 0.000 -0.423 0.000) 0.423 3.838 ( 0.000 -5.240 0.000) 5.240 3.951 ( 0.000 0.032 0.000) 0.032 4.253 ( 0.000 -5.548 0.000) 5.548 4.370 ( 0.000 -1.623 0.000) 1.623 4.447 ( 0.000 -6.733 0.000) 6.733 4.718 ( 0.000 3.574 0.000) 3.574 4.871 ( 0.000 3.287 0.000) 3.287 4.884 ( 0.000 -4.046 0.000) 4.046 5.213 ( 0.000 -2.618 0.000) 2.618 5.592 ( 0.000 -1.008 0.000) 1.008 5.732 ( 0.000 -4.608 0.000) 4.608 5.935 ( 0.000 1.620 0.000) 1.620 6.095 ( 0.000 1.598 0.000) 1.598 6.121 ( 0.000 -3.266 0.000) 3.266 6.311 ( 0.000 -0.179 0.000) 0.179 18.744 ( 0.000 0.109 0.000) 0.109 18.811 ( 0.000 -1.140 0.000) 1.140 19.183 ( 0.000 1.067 0.000) 1.067 19.224 ( 0.000 0.345 0.000) 0.345 41.845 ( 0.000 0.206 0.000) 0.206 41.860 ( 0.000 -0.134 0.000) 0.134 65.954 ( 0.000 1.277 0.000) 1.277 66.214 ( 0.000 -2.878 0.000) 2.878 ======================= Grid point 28 (17/192) ======================= q-point: ( 0.11 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.400 ( 3.358 18.352 -1.299) 18.702 1.475 ( 5.688 16.918 -1.286) 17.895 2.130 ( 11.850 2.279 -0.354) 12.072 2.352 ( 9.249 24.234 2.716) 26.080 2.842 ( -0.495 11.361 -10.679) 15.600 2.907 ( -1.934 -7.384 9.867) 12.475 3.284 ( -1.919 -2.103 2.252) 3.630 3.805 ( -1.994 -4.488 0.606) 4.948 4.052 ( 6.008 -1.066 -0.969) 6.178 4.281 ( -3.014 -2.600 -0.363) 3.997 4.297 ( -6.194 0.407 1.050) 6.296 4.399 ( 2.689 -2.998 -2.145) 4.563 4.654 ( 0.187 -3.949 0.679) 4.011 4.830 ( -3.155 -6.110 -1.147) 6.972 5.020 ( 7.063 3.722 -2.033) 8.238 5.273 ( 4.706 -1.266 0.911) 4.958 5.544 ( -3.814 0.390 -2.604) 4.634 5.676 ( -15.515 1.193 -1.097) 15.599 5.782 ( 2.098 -4.568 4.844) 6.981 6.005 ( -7.064 -5.469 3.127) 9.465 6.326 ( 12.000 1.889 -0.869) 12.179 6.436 ( 10.344 2.199 -2.476) 10.861 18.743 ( -0.162 0.084 0.074) 0.197 18.810 ( -0.066 -1.117 -0.069) 1.121 19.172 ( -0.915 1.397 -0.095) 1.673 19.224 ( -0.099 0.298 0.123) 0.338 41.838 ( -1.230 -0.017 -0.090) 1.233 41.846 ( -0.474 0.305 -0.012) 0.564 65.957 ( 0.887 0.632 1.032) 1.500 66.437 ( 18.745 -9.907 -2.140) 21.309 ======================= Grid point 29 (18/192) ======================= q-point: ( 0.22 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.474 ( 6.133 15.768 -3.344) 17.246 1.654 ( 10.869 12.226 1.429) 16.422 2.378 ( 10.628 3.208 -2.291) 11.336 2.598 ( 12.894 5.083 3.157) 14.215 2.775 ( -3.096 14.437 -5.579) 15.784 2.909 ( -0.412 -3.508 5.826) 6.813 3.268 ( 0.869 -2.517 1.812) 3.220 3.768 ( -2.281 -3.737 1.046) 4.501 3.988 ( -7.512 -1.715 -0.059) 7.705 4.193 ( -3.005 -2.183 -4.034) 5.483 4.305 ( 1.768 1.315 3.739) 4.340 4.476 ( 2.544 -4.137 -0.117) 4.858 4.722 ( 3.389 -4.044 0.347) 5.288 4.784 ( 2.061 -8.073 -2.964) 8.843 5.095 ( 1.029 4.215 -1.765) 4.684 5.348 ( -3.374 -0.473 -2.365) 4.148 5.388 ( -5.470 1.362 2.527) 6.178 5.441 ( -6.670 2.423 -0.253) 7.101 5.790 ( -1.876 -5.224 0.235) 5.555 5.963 ( 0.732 -8.267 4.662) 9.519 6.496 ( 6.721 5.669 -2.789) 9.224 6.667 ( 11.910 4.260 -0.329) 12.653 18.738 ( -0.267 0.070 0.030) 0.277 18.809 ( -0.057 -1.099 -0.046) 1.101 19.153 ( -0.778 1.718 -0.052) 1.886 19.221 ( -0.225 0.228 0.085) 0.332 41.812 ( -0.865 0.047 -0.199) 0.889 41.841 ( -0.175 0.287 -0.075) 0.344 65.995 ( 2.013 -1.114 1.750) 2.891 66.797 ( 16.267 -17.878 -3.156) 24.376 ======================= Grid point 30 (19/192) ======================= q-point: ( 0.33 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.630 ( 10.312 11.431 -1.243) 15.445 1.886 ( 11.303 7.844 0.969) 13.792 2.436 ( -3.166 0.606 -5.264) 6.173 2.638 ( -8.379 8.118 2.134) 11.860 2.879 ( 12.144 -3.094 1.117) 12.581 2.970 ( 4.563 1.636 2.840) 5.618 3.349 ( 5.692 -0.996 -0.818) 5.836 3.716 ( -2.748 -0.999 0.748) 3.018 3.921 ( 0.338 -7.202 1.312) 7.328 4.090 ( -5.538 -1.482 -0.142) 5.734 4.336 ( 0.793 -2.247 -2.242) 3.271 4.495 ( -0.389 -4.611 2.813) 5.415 4.704 ( -2.806 -3.300 2.190) 4.854 4.882 ( 3.309 -5.277 -4.389) 7.619 5.054 ( -1.499 5.125 -3.243) 6.247 5.212 ( -3.397 -0.353 1.355) 3.674 5.291 ( -7.083 3.357 -0.145) 7.840 5.433 ( 1.591 1.883 0.663) 2.553 5.776 ( 0.683 -7.352 0.275) 7.389 5.998 ( 0.554 -7.019 2.700) 7.541 6.592 ( 4.053 9.862 -1.973) 10.844 6.871 ( 8.254 5.923 -0.030) 10.159 18.733 ( -0.228 0.091 -0.027) 0.247 18.808 ( -0.036 -1.105 -0.003) 1.106 19.142 ( -0.395 1.766 -0.018) 1.809 19.217 ( -0.206 0.149 0.035) 0.257 41.806 ( 0.227 -0.006 -0.245) 0.335 41.837 ( -0.220 0.235 -0.076) 0.331 66.040 ( 1.624 -2.972 1.604) 3.748 67.028 ( 8.238 -20.376 -2.504) 22.121 ======================= Grid point 31 (20/192) ======================= q-point: ( 0.44 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.849 ( 10.169 6.568 1.224) 12.168 2.056 ( 2.723 4.216 -1.726) 5.307 2.322 ( -1.845 4.224 -1.766) 4.936 2.461 ( -8.979 5.275 1.264) 10.491 3.065 ( 5.161 -3.328 0.070) 6.141 3.071 ( 3.423 -0.809 1.451) 3.805 3.419 ( 1.306 -2.851 -0.884) 3.258 3.689 ( -0.356 -1.529 0.089) 1.572 3.958 ( 2.108 -4.565 -2.471) 5.603 4.003 ( -3.179 -4.890 4.321) 7.259 4.332 ( 0.107 -6.420 -2.375) 6.846 4.495 ( -0.441 -3.741 1.548) 4.073 4.657 ( -1.968 -1.112 1.978) 3.004 4.891 ( 1.301 -6.024 -3.288) 6.985 5.030 ( -1.251 3.506 -0.294) 3.734 5.169 ( -4.055 4.889 -0.424) 6.366 5.205 ( 0.883 2.362 0.760) 2.634 5.450 ( 0.221 2.395 0.004) 2.405 5.800 ( 0.972 -8.434 0.317) 8.496 6.006 ( -0.172 -5.984 0.839) 6.045 6.641 ( 1.383 12.606 -0.667) 12.699 6.984 ( 2.932 6.894 0.000) 7.492 18.730 ( -0.086 0.111 -0.020) 0.142 18.807 ( -0.014 -1.113 0.005) 1.113 19.137 ( -0.112 1.739 -0.004) 1.743 19.214 ( -0.081 0.094 0.008) 0.124 41.814 ( 0.529 0.099 -0.145) 0.558 41.831 ( -0.355 0.106 0.004) 0.370 66.068 ( 0.586 -4.165 0.642) 4.255 67.121 ( 2.296 -20.705 -0.919) 20.852 ======================= Grid point 36 (21/192) ======================= q-point: ( 0.00 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.732 ( 0.000 17.185 0.000) 17.185 1.751 ( 0.000 12.211 0.000) 12.211 2.035 ( 0.000 0.725 0.000) 0.725 2.596 ( 0.000 -9.652 0.000) 9.652 2.833 ( 0.000 18.257 0.000) 18.257 3.050 ( 0.000 4.463 0.000) 4.463 3.404 ( 0.000 8.975 0.000) 8.975 3.732 ( 0.000 -5.050 0.000) 5.050 3.957 ( 0.000 0.657 0.000) 0.657 4.139 ( 0.000 -5.409 0.000) 5.409 4.306 ( 0.000 -6.334 0.000) 6.334 4.323 ( 0.000 -2.953 0.000) 2.953 4.778 ( 0.000 1.267 0.000) 1.267 4.867 ( 0.000 3.300 0.000) 3.300 4.912 ( 0.000 0.233 0.000) 0.233 5.155 ( 0.000 -3.102 0.000) 3.102 5.571 ( 0.000 -0.910 0.000) 0.910 5.641 ( 0.000 -4.071 0.000) 4.071 5.962 ( 0.000 1.024 0.000) 1.024 6.056 ( 0.000 -2.923 0.000) 2.923 6.132 ( 0.000 2.062 0.000) 2.062 6.287 ( 0.000 -2.038 0.000) 2.038 18.748 ( 0.000 0.301 0.000) 0.301 18.789 ( 0.000 -1.028 0.000) 1.028 19.203 ( 0.000 0.917 0.000) 0.917 19.229 ( 0.000 0.104 0.000) 0.104 41.849 ( 0.000 0.181 0.000) 0.181 41.857 ( 0.000 -0.120 0.000) 0.120 65.986 ( 0.000 1.932 0.000) 1.932 66.152 ( 0.000 -3.143 0.000) 3.143 ======================= Grid point 37 (22/192) ======================= q-point: ( 0.11 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.737 ( 0.400 14.054 -0.806) 14.083 1.776 ( 3.199 12.861 0.305) 13.256 2.146 ( 9.905 -0.198 0.441) 9.916 2.589 ( -0.480 -8.027 -0.370) 8.050 2.862 ( 2.602 12.884 0.520) 13.154 3.052 ( 0.085 6.380 0.257) 6.386 3.362 ( -3.870 8.309 1.346) 9.264 3.712 ( -1.294 -4.550 -0.631) 4.772 4.040 ( 4.577 0.054 -0.028) 4.577 4.195 ( 2.425 -4.282 2.659) 5.594 4.292 ( -0.658 -2.905 -2.567) 3.932 4.332 ( 3.096 -2.513 -3.530) 5.325 4.610 ( -8.738 -0.233 2.569) 9.111 4.720 ( -6.965 -4.638 -0.315) 8.374 5.095 ( 6.997 3.540 -2.890) 8.357 5.244 ( 6.993 -1.592 0.789) 7.215 5.545 ( -2.304 -0.057 -0.539) 2.367 5.669 ( -2.850 -3.749 4.500) 6.514 5.725 ( -9.591 0.912 -0.412) 9.643 5.899 ( -10.901 -4.673 1.852) 12.005 6.370 ( 14.016 2.199 -1.056) 14.226 6.459 ( 13.031 0.110 -2.266) 13.227 18.746 ( -0.151 0.305 -0.028) 0.341 18.788 ( -0.059 -1.027 -0.022) 1.029 19.197 ( -0.556 1.085 -0.061) 1.221 19.228 ( -0.164 0.055 0.084) 0.192 41.840 ( -1.049 0.175 -0.043) 1.064 41.850 ( -0.358 0.091 -0.003) 0.369 65.985 ( 0.270 2.138 0.490) 2.210 66.267 ( 10.037 -7.110 -0.890) 12.332 ======================= Grid point 38 (23/192) ======================= q-point: ( 0.22 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.761 ( 2.871 12.052 -1.292) 12.457 1.877 ( 6.271 9.385 1.267) 11.358 2.361 ( 9.247 -2.829 -0.776) 9.702 2.584 ( 0.368 -6.349 1.404) 6.513 2.929 ( 3.465 5.228 2.074) 6.606 3.026 ( -3.186 9.037 -1.640) 9.721 3.319 ( 0.344 6.366 1.586) 6.569 3.691 ( -0.215 -3.872 -0.539) 3.916 3.978 ( -9.112 0.847 -0.840) 9.189 4.146 ( -3.609 -2.431 -3.153) 5.374 4.334 ( 1.081 1.396 3.079) 3.549 4.409 ( 0.579 -1.924 1.009) 2.248 4.592 ( 6.800 -8.634 -5.259) 12.184 4.632 ( -0.366 -5.907 3.273) 6.763 5.167 ( 2.209 3.548 -2.587) 4.915 5.349 ( -0.530 -0.196 -1.409) 1.518 5.440 ( -7.528 2.909 1.925) 8.296 5.475 ( -5.456 0.974 0.526) 5.567 5.695 ( -3.856 -3.779 -0.284) 5.406 5.801 ( 1.326 -7.265 4.844) 8.832 6.604 ( 10.450 4.847 -1.975) 11.688 6.729 ( 13.647 1.720 -1.057) 13.795 18.742 ( -0.224 0.331 -0.066) 0.405 18.787 ( -0.074 -1.041 -0.008) 1.043 19.184 ( -0.603 1.322 -0.044) 1.454 19.223 ( -0.298 -0.021 0.072) 0.307 41.818 ( -0.813 0.482 -0.091) 0.950 41.844 ( -0.247 0.003 -0.025) 0.248 66.002 ( 0.942 1.966 0.808) 2.325 66.478 ( 10.282 -13.595 -1.396) 17.102 ======================= Grid point 39 (24/192) ======================= q-point: ( 0.33 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.848 ( 6.056 9.562 -0.266) 11.322 2.018 ( 6.896 4.919 0.471) 8.484 2.421 ( -1.403 -1.772 -3.286) 3.988 2.606 ( -2.944 -7.181 5.162) 9.321 2.976 ( 2.045 8.458 -2.982) 9.198 3.013 ( 3.690 3.145 3.406) 5.925 3.363 ( 2.321 1.620 -0.822) 2.947 3.708 ( 1.637 -2.583 0.370) 3.080 3.805 ( -6.364 -1.387 -0.141) 6.515 4.066 ( -3.339 -1.433 -1.989) 4.142 4.282 ( -4.716 -2.480 -1.569) 5.555 4.407 ( -0.639 -4.209 3.604) 5.578 4.636 ( 0.012 -3.005 1.246) 3.253 4.743 ( 5.047 -6.277 -2.596) 8.462 5.168 ( -1.986 4.538 -3.184) 5.888 5.225 ( -2.597 1.269 0.983) 3.053 5.357 ( -4.606 3.100 -0.342) 5.562 5.459 ( 1.222 0.245 1.093) 1.658 5.654 ( -0.312 -3.904 0.192) 3.921 5.853 ( 1.343 -7.075 2.988) 7.797 6.775 ( 7.224 7.934 -1.354) 10.815 6.961 ( 9.486 2.688 -0.542) 9.874 18.738 ( -0.185 0.373 -0.075) 0.423 18.785 ( -0.059 -1.071 0.010) 1.073 19.174 ( -0.381 1.415 -0.020) 1.466 19.218 ( -0.271 -0.084 0.037) 0.286 41.811 ( 0.151 0.512 -0.122) 0.548 41.839 ( -0.245 -0.021 -0.019) 0.247 66.022 ( 0.648 1.501 0.746) 1.797 66.636 ( 5.947 -17.685 -1.205) 18.697 ======================= Grid point 40 (25/192) ======================= q-point: ( 0.44 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.980 ( 5.966 5.990 0.903) 8.502 2.113 ( 1.283 1.540 -1.245) 2.360 2.380 ( 1.286 1.309 -2.430) 3.045 2.488 ( -8.195 -2.182 3.616) 9.219 3.057 ( 4.479 2.525 -3.103) 6.006 3.088 ( 1.629 2.376 3.538) 4.563 3.377 ( -0.164 -1.141 -0.784) 1.394 3.702 ( -1.519 2.841 -0.141) 3.225 3.775 ( 1.508 -10.015 0.733) 10.154 4.005 ( -1.977 0.962 -0.086) 2.201 4.196 ( -2.389 -5.846 -1.776) 6.560 4.404 ( -0.567 -5.234 1.312) 5.426 4.635 ( -0.248 -0.625 1.347) 1.506 4.765 ( -0.421 -5.211 -1.748) 5.512 5.145 ( 0.935 5.585 -0.247) 5.669 5.210 ( -1.242 0.747 0.031) 1.450 5.298 ( -0.868 5.154 -0.568) 5.257 5.474 ( 0.174 -0.281 0.255) 0.417 5.661 ( 0.406 -4.425 0.251) 4.451 5.876 ( 0.293 -6.733 0.988) 6.812 6.871 ( 2.628 9.814 -0.445) 10.170 7.090 ( 3.373 3.235 -0.174) 4.677 18.735 ( -0.069 0.403 -0.032) 0.410 18.785 ( -0.023 -1.094 0.007) 1.094 19.169 ( -0.123 1.422 -0.005) 1.427 19.214 ( -0.107 -0.121 0.010) 0.161 41.819 ( 0.524 0.365 -0.087) 0.644 41.833 ( -0.381 0.088 0.023) 0.392 66.032 ( 0.188 1.110 0.300) 1.165 66.708 ( 1.763 -19.294 -0.463) 19.380 ======================= Grid point 45 (26/192) ======================= q-point: ( 0.00 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.934 ( 0.000 6.281 0.000) 6.281 2.020 ( 0.000 -2.368 0.000) 2.368 2.057 ( 0.000 14.708 0.000) 14.708 2.340 ( 0.000 -13.341 0.000) 13.341 3.120 ( 0.000 6.910 0.000) 6.910 3.133 ( 0.000 3.443 0.000) 3.443 3.559 ( 0.000 5.474 0.000) 5.474 3.642 ( 0.000 -3.680 0.000) 3.680 3.984 ( 0.000 2.147 0.000) 2.147 4.044 ( 0.000 -3.771 0.000) 3.771 4.222 ( 0.000 -1.216 0.000) 1.216 4.254 ( 0.000 -3.402 0.000) 3.402 4.809 ( 0.000 2.688 0.000) 2.688 4.877 ( 0.000 -3.236 0.000) 3.236 4.973 ( 0.000 5.845 0.000) 5.845 5.080 ( 0.000 -4.457 0.000) 4.457 5.560 ( 0.000 -0.001 0.000) 0.001 5.578 ( 0.000 -1.956 0.000) 1.956 5.981 ( 0.000 0.937 0.000) 0.937 6.007 ( 0.000 -1.822 0.000) 1.822 6.179 ( 0.000 2.622 0.000) 2.622 6.236 ( 0.000 -2.810 0.000) 2.810 18.757 ( 0.000 0.541 0.000) 0.541 18.770 ( 0.000 -0.801 0.000) 0.801 19.219 ( 0.000 0.613 0.000) 0.613 19.228 ( 0.000 -0.244 0.000) 0.244 41.852 ( 0.000 0.141 0.000) 0.141 41.855 ( 0.000 -0.117 0.000) 0.117 66.032 ( 0.000 2.560 0.000) 2.560 66.089 ( 0.000 -3.009 0.000) 3.009 ======================= Grid point 46 (27/192) ======================= q-point: ( 0.11 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.938 ( 0.426 6.448 -0.303) 6.469 1.988 ( -0.998 4.251 1.456) 4.602 2.165 ( 7.871 5.331 0.713) 9.533 2.366 ( 2.362 -11.604 1.253) 11.908 3.078 ( -2.053 7.270 -1.397) 7.682 3.147 ( -0.315 1.273 0.571) 1.430 3.523 ( -2.872 6.435 -0.622) 7.075 3.625 ( -0.916 -4.135 -1.558) 4.512 4.059 ( 3.515 1.874 1.123) 4.139 4.115 ( 3.132 -3.503 2.015) 5.113 4.244 ( 5.121 -0.161 -2.493) 5.698 4.282 ( 4.509 -2.825 -2.560) 5.905 4.623 ( -13.470 1.002 1.976) 13.651 4.650 ( -11.969 -2.098 0.498) 12.161 5.160 ( 8.223 2.759 -2.361) 8.989 5.208 ( 8.558 -2.031 -0.599) 8.816 5.551 ( -1.432 0.893 1.663) 2.370 5.591 ( -0.318 -3.136 3.953) 5.056 5.762 ( -12.365 2.303 -0.178) 12.579 5.818 ( -12.217 -3.295 0.948) 12.689 6.412 ( 15.034 1.919 -1.458) 15.226 6.446 ( 14.744 -1.267 -1.887) 14.918 18.755 ( -0.119 0.562 -0.040) 0.576 18.769 ( -0.080 -0.820 -0.020) 0.824 19.215 ( -0.354 0.706 -0.016) 0.790 19.226 ( -0.240 -0.302 0.034) 0.387 41.845 ( -0.726 0.260 -0.016) 0.771 41.849 ( -0.449 -0.157 -0.005) 0.475 66.046 ( 1.390 3.831 0.070) 4.076 66.140 ( 4.556 -5.450 -0.323) 7.111 ======================= Grid point 47 (28/192) ======================= q-point: ( 0.22 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.953 ( 1.446 6.653 0.622) 6.836 2.008 ( 2.112 2.228 1.839) 3.579 2.327 ( 6.712 1.221 0.571) 6.846 2.429 ( 2.722 -7.552 1.835) 8.234 3.051 ( -0.145 5.795 0.747) 5.845 3.122 ( -2.012 -0.024 0.556) 2.087 3.466 ( -1.967 7.381 -2.197) 7.948 3.601 ( -0.595 -5.468 -2.684) 6.120 4.021 ( -6.308 3.180 -1.121) 7.153 4.090 ( -3.777 -3.167 -1.917) 5.289 4.360 ( -0.768 1.745 0.723) 2.039 4.414 ( -8.152 0.288 1.752) 8.343 4.447 ( 10.700 -2.970 -1.574) 11.215 4.516 ( 3.210 -5.293 2.964) 6.863 5.246 ( 1.863 4.052 -3.639) 5.756 5.320 ( 1.710 -2.799 -3.196) 4.580 5.485 ( -7.249 1.294 3.078) 7.981 5.491 ( -6.572 0.633 2.073) 6.920 5.648 ( -2.723 -0.591 0.673) 2.867 5.682 ( 0.594 -4.041 3.347) 5.281 6.689 ( 13.086 3.350 -1.595) 13.602 6.735 ( 14.188 -1.096 -1.341) 14.293 18.752 ( -0.171 0.617 -0.065) 0.643 18.767 ( -0.115 -0.869 -0.024) 0.877 19.207 ( -0.461 0.856 -0.011) 0.972 19.219 ( -0.367 -0.398 0.033) 0.543 41.830 ( -0.592 0.595 -0.037) 0.840 41.840 ( -0.381 -0.383 -0.016) 0.541 66.081 ( 1.823 5.854 0.113) 6.132 66.240 ( 5.039 -9.787 -0.510) 11.020 ======================= Grid point 48 (29/192) ======================= q-point: ( 0.33 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.007 ( 3.460 5.889 0.987) 6.901 2.072 ( 3.224 -0.092 1.242) 3.457 2.397 ( 0.571 0.587 -0.717) 1.088 2.465 ( -0.694 -5.753 2.445) 6.290 3.077 ( 1.657 3.376 2.385) 4.453 3.104 ( 0.662 1.995 1.529) 2.599 3.428 ( -0.875 5.643 -3.296) 6.593 3.579 ( -0.512 -8.005 -2.413) 8.376 3.880 ( -5.708 6.076 -1.513) 8.473 4.002 ( -3.419 -5.114 -2.894) 6.799 4.266 ( -5.912 1.302 1.081) 6.150 4.323 ( -2.793 -3.805 2.981) 5.583 4.604 ( 3.869 0.226 0.780) 3.953 4.644 ( 5.042 -3.514 -0.254) 6.151 5.228 ( -1.122 1.919 -2.674) 3.477 5.249 ( -3.266 0.230 -1.976) 3.825 5.411 ( -2.063 2.064 0.600) 2.979 5.443 ( -0.066 -1.309 1.068) 1.691 5.636 ( 0.073 2.018 1.453) 2.488 5.719 ( 1.111 -5.706 2.472) 6.317 6.909 ( 9.202 5.072 -0.995) 10.554 6.975 ( 9.898 -1.333 -0.771) 10.018 18.748 ( -0.139 0.677 -0.059) 0.694 18.765 ( -0.095 -0.925 -0.016) 0.930 19.198 ( -0.346 0.934 -0.005) 0.996 19.212 ( -0.312 -0.459 0.019) 0.556 41.824 ( 0.013 0.645 -0.049) 0.647 41.835 ( -0.142 -0.408 -0.016) 0.432 66.111 ( 1.074 7.357 0.108) 7.436 66.320 ( 3.048 -13.109 -0.455) 13.467 ======================= Grid point 49 (30/192) ======================= q-point: ( 0.44 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.081 ( 2.876 3.663 0.697) 4.709 2.123 ( 1.073 -0.590 -0.012) 1.225 2.388 ( 0.288 0.393 -1.235) 1.328 2.424 ( -3.427 -3.055 2.108) 5.052 3.119 ( 1.539 2.779 0.212) 3.183 3.143 ( 1.263 1.213 1.772) 2.492 3.403 ( -0.448 4.855 -1.502) 5.102 3.566 ( -0.105 -9.900 -0.561) 9.916 3.803 ( -1.594 6.442 -0.852) 6.691 3.945 ( -1.197 -6.656 -1.501) 6.927 4.179 ( -2.746 3.948 0.495) 4.835 4.288 ( -1.392 -5.917 1.134) 6.183 4.640 ( 0.406 1.186 0.491) 1.346 4.682 ( 0.089 -2.990 -0.471) 3.028 5.215 ( 0.685 1.426 -0.811) 1.778 5.227 ( 0.006 0.524 -0.228) 0.571 5.388 ( -0.519 3.619 -0.213) 3.662 5.445 ( -0.048 -2.108 0.254) 2.124 5.643 ( 0.081 2.548 0.580) 2.614 5.740 ( 0.335 -6.254 0.825) 6.317 7.034 ( 3.335 5.973 -0.317) 6.848 7.109 ( 3.540 -1.389 -0.247) 3.811 18.746 ( -0.052 0.715 -0.024) 0.717 18.764 ( -0.036 -0.960 -0.005) 0.961 19.194 ( -0.125 0.950 -0.001) 0.958 19.208 ( -0.120 -0.482 0.006) 0.496 41.827 ( 0.243 0.371 -0.034) 0.445 41.833 ( -0.125 -0.144 0.003) 0.191 66.124 ( 0.288 8.052 0.044) 8.057 66.358 ( 0.907 -14.674 -0.179) 14.703 ======================= Grid point 99 (31/192) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.369 ( 2.911 0.000 19.335) 19.553 0.453 ( 3.068 0.000 23.776) 23.973 0.689 ( -5.739 0.000 36.200) 36.652 1.827 ( 0.187 0.000 -5.418) 5.421 2.007 ( -0.868 0.000 -5.159) 5.231 3.248 ( 1.033 0.000 -10.226) 10.278 3.696 ( 21.045 0.000 1.241) 21.081 3.929 ( 0.293 0.000 0.256) 0.389 4.143 ( -0.146 0.000 -9.610) 9.611 4.346 ( 2.786 0.000 -1.985) 3.421 4.493 ( 25.972 0.000 2.540) 26.096 4.508 ( -2.467 0.000 -1.528) 2.902 4.541 ( 0.138 0.000 10.054) 10.055 4.813 ( -2.510 0.000 -0.028) 2.510 4.938 ( -42.230 0.000 -0.380) 42.232 5.315 ( -0.003 0.000 -1.087) 1.087 5.335 ( -1.211 0.000 2.163) 2.479 5.882 ( -0.171 0.000 -3.059) 3.064 5.927 ( -0.343 0.000 -0.321) 0.469 5.993 ( -8.813 0.000 4.463) 9.879 6.056 ( 0.260 0.000 0.388) 0.467 6.730 ( 3.474 0.000 -1.182) 3.669 18.815 ( 2.286 0.000 -0.063) 2.287 18.858 ( 0.020 0.000 0.014) 0.024 19.060 ( 0.002 0.000 0.086) 0.086 19.205 ( -0.021 0.000 -0.076) 0.079 41.837 ( 0.135 0.000 0.034) 0.139 41.867 ( -0.155 0.000 0.110) 0.190 65.926 ( 1.439 0.000 0.547) 1.539 66.352 ( -32.541 0.000 -0.353) 32.543 ======================= Grid point 100 (32/192) ======================= q-point: ( 0.11 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.669 ( 9.349 0.000 21.583) 23.521 0.773 ( 16.639 0.000 17.887) 24.429 1.122 ( 32.550 0.000 16.655) 36.564 1.979 ( 0.536 0.000 -6.593) 6.615 2.025 ( 20.210 0.000 -5.261) 20.884 3.190 ( -2.719 0.000 -9.590) 9.968 3.943 ( 0.819 0.000 0.534) 0.978 3.968 ( -19.460 0.000 5.620) 20.255 4.021 ( 10.829 0.000 -0.781) 10.857 4.088 ( -1.566 0.000 -9.406) 9.536 4.475 ( 4.401 0.000 -0.157) 4.404 4.577 ( -0.495 0.000 9.753) 9.766 4.636 ( -1.036 0.000 8.760) 8.821 4.789 ( -0.358 0.000 -0.544) 0.651 4.944 ( 5.289 0.000 -9.326) 10.721 5.279 ( -3.025 0.000 -1.265) 3.279 5.430 ( 3.027 0.000 1.375) 3.325 5.792 ( 1.297 0.000 -6.355) 6.486 5.897 ( -1.927 0.000 -0.441) 1.977 6.047 ( 3.319 0.000 0.760) 3.405 6.096 ( 2.904 0.000 0.400) 2.931 6.708 ( -2.574 0.000 1.149) 2.819 18.788 ( -2.254 0.000 1.183) 2.546 18.859 ( -0.133 0.000 0.163) 0.211 19.061 ( -0.019 0.000 0.095) 0.097 19.205 ( 0.007 0.000 -0.091) 0.091 41.833 ( -0.498 0.000 -0.267) 0.566 41.846 ( -1.157 0.000 -0.418) 1.230 66.020 ( 6.839 0.000 1.454) 6.992 67.048 ( 46.596 0.000 -36.501) 59.190 ======================= Grid point 101 (33/192) ======================= q-point: ( 0.22 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.985 ( 14.781 0.000 16.732) 22.326 1.187 ( 17.672 0.000 12.841) 21.845 1.825 ( 30.216 0.000 4.268) 30.515 1.971 ( 1.246 0.000 -6.654) 6.770 2.482 ( 24.553 0.000 -5.304) 25.119 3.086 ( -3.037 0.000 -2.812) 4.138 3.728 ( -6.844 0.000 -0.563) 6.867 3.955 ( -0.546 0.000 0.054) 0.549 4.012 ( -1.517 0.000 -8.253) 8.391 4.192 ( 5.837 0.000 -2.294) 6.271 4.519 ( -1.932 0.000 7.131) 7.389 4.608 ( -0.144 0.000 8.862) 8.863 4.700 ( 4.225 0.000 2.304) 4.813 4.823 ( 4.389 0.000 1.877) 4.773 4.931 ( -1.367 0.000 -3.314) 3.585 5.191 ( -4.971 0.000 -1.361) 5.154 5.369 ( -6.403 0.000 0.142) 6.404 5.813 ( -0.152 0.000 -7.756) 7.757 5.861 ( -1.431 0.000 -0.471) 1.506 6.107 ( 3.176 0.000 0.820) 3.280 6.157 ( 2.841 0.000 0.272) 2.854 6.667 ( -2.135 0.000 1.873) 2.841 18.758 ( -1.226 0.000 0.634) 1.380 18.857 ( -0.119 0.000 0.139) 0.183 19.060 ( -0.038 0.000 0.087) 0.095 19.205 ( 0.037 0.000 -0.075) 0.084 41.822 ( -0.221 0.000 -0.829) 0.858 41.827 ( -0.504 0.000 -0.522) 0.726 66.171 ( 6.957 0.000 1.840) 7.197 67.544 ( 19.731 0.000 -21.348) 29.070 ======================= Grid point 102 (34/192) ======================= q-point: ( 0.33 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.380 ( 18.680 0.000 10.579) 21.468 1.558 ( 14.552 0.000 9.179) 17.205 1.961 ( -0.203 0.000 -5.531) 5.534 2.198 ( 4.148 0.000 -8.357) 9.330 2.851 ( 16.114 0.000 -0.640) 16.126 3.181 ( 10.893 0.000 4.564) 11.810 3.654 ( -0.422 0.000 -3.165) 3.193 3.891 ( -2.963 0.000 -6.201) 6.872 4.002 ( 1.075 0.000 -0.352) 1.131 4.228 ( 0.519 0.000 -7.310) 7.328 4.513 ( -1.684 0.000 10.381) 10.516 4.641 ( -0.049 0.000 6.485) 6.485 4.771 ( 0.953 0.000 1.621) 1.880 4.904 ( 0.872 0.000 2.020) 2.200 4.953 ( 5.543 0.000 2.916) 6.263 5.084 ( -4.831 0.000 -1.007) 4.934 5.253 ( -3.514 0.000 -2.882) 4.545 5.690 ( -7.838 0.000 -7.122) 10.590 5.837 ( -0.722 0.000 -0.452) 0.851 6.177 ( 2.903 0.000 1.113) 3.109 6.206 ( 1.880 0.000 0.140) 1.885 6.634 ( -2.074 0.000 1.742) 2.708 18.742 ( -0.642 0.000 0.222) 0.680 18.855 ( -0.076 0.000 0.126) 0.148 19.060 ( -0.044 0.000 0.067) 0.080 19.206 ( 0.051 0.000 -0.037) 0.063 41.819 ( 0.055 0.000 -0.908) 0.910 41.822 ( 0.300 0.000 -0.137) 0.330 66.289 ( 4.154 0.000 -0.047) 4.154 67.762 ( 9.666 0.000 -9.138) 13.302 ======================= Grid point 103 (35/192) ======================= q-point: ( 0.44 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.762 ( 11.499 0.000 1.864) 11.649 1.798 ( 3.002 0.000 3.507) 4.617 1.926 ( 1.413 0.000 -1.428) 2.009 2.058 ( -5.650 0.000 -4.947) 7.509 3.152 ( 10.067 0.000 3.089) 10.530 3.345 ( 2.814 0.000 0.482) 2.855 3.639 ( -1.589 0.000 -3.034) 3.425 3.827 ( -0.556 0.000 -5.858) 5.884 4.035 ( 2.054 0.000 1.835) 2.755 4.201 ( 0.543 0.000 -6.452) 6.475 4.550 ( 2.233 0.000 7.689) 8.007 4.636 ( -2.788 0.000 2.307) 3.618 4.713 ( -6.404 0.000 4.051) 7.578 4.956 ( 0.040 0.000 -0.764) 0.766 5.017 ( -1.205 0.000 0.593) 1.343 5.048 ( 1.770 0.000 2.437) 3.012 5.235 ( 2.746 0.000 -1.275) 3.027 5.537 ( -1.141 0.000 -3.702) 3.874 5.828 ( -0.074 0.000 -0.370) 0.378 6.216 ( 0.464 0.000 0.645) 0.794 6.231 ( 0.594 0.000 0.031) 0.595 6.594 ( -2.535 0.000 0.592) 2.603 18.734 ( -0.247 0.000 0.052) 0.252 18.855 ( -0.023 0.000 0.135) 0.137 19.059 ( -0.035 0.000 0.045) 0.057 19.207 ( 0.043 0.000 0.004) 0.043 41.817 ( 0.033 0.000 -0.247) 0.249 41.834 ( 0.752 0.000 -0.093) 0.758 66.327 ( 0.166 0.000 -2.656) 2.661 67.883 ( 5.325 0.000 -2.408) 5.844 ======================= Grid point 104 (36/192) ======================= q-point: (-0.44 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.574 ( -18.078 0.000 -4.269) 18.576 1.663 ( -12.269 0.000 -1.652) 12.379 2.034 ( 4.594 0.000 2.672) 5.314 2.283 ( 17.139 0.000 1.752) 17.228 3.151 ( -13.208 0.000 3.942) 13.783 3.303 ( -7.071 0.000 0.634) 7.099 3.573 ( -0.958 0.000 -7.474) 7.535 3.824 ( 2.281 0.000 -4.524) 5.066 4.102 ( 3.786 0.000 2.615) 4.601 4.201 ( 1.522 0.000 -4.793) 5.029 4.549 ( -5.729 0.000 -0.464) 5.748 4.587 ( -8.089 0.000 5.123) 9.575 4.676 ( 6.824 0.000 5.075) 8.504 4.858 ( -5.813 0.000 -3.262) 6.666 5.023 ( -3.637 0.000 0.224) 3.644 5.043 ( 2.917 0.000 1.460) 3.262 5.296 ( 3.126 0.000 1.001) 3.282 5.707 ( 14.810 0.000 2.750) 15.064 5.831 ( 0.513 0.000 -0.247) 0.569 6.199 ( -2.255 0.000 0.044) 2.256 6.229 ( -0.773 0.000 -0.038) 0.774 6.538 ( -2.810 0.000 -1.451) 3.162 18.732 ( 0.011 0.000 -0.024) 0.027 18.856 ( 0.036 0.000 0.161) 0.165 19.059 ( -0.016 0.000 0.031) 0.035 19.207 ( 0.017 0.000 0.031) 0.035 41.818 ( 0.110 0.000 -0.054) 0.123 41.848 ( 0.561 0.000 0.256) 0.616 66.277 ( -3.559 0.000 -4.412) 5.668 67.965 ( 3.402 0.000 0.478) 3.435 ======================= Grid point 105 (37/192) ======================= q-point: (-0.33 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.185 ( -19.594 0.000 2.006) 19.696 1.350 ( -18.279 0.000 -0.415) 18.284 2.095 ( 0.863 0.000 1.280) 1.544 2.449 ( -13.089 0.000 3.247) 13.485 2.837 ( -7.810 0.000 -5.830) 9.746 3.064 ( -14.948 0.000 4.850) 15.715 3.550 ( 1.419 0.000 -8.412) 8.531 3.867 ( 3.130 0.000 -2.990) 4.329 4.193 ( 4.151 0.000 -0.500) 4.181 4.229 ( 3.474 0.000 -4.217) 5.464 4.417 ( -10.417 0.000 3.069) 10.859 4.436 ( -4.898 0.000 1.932) 5.265 4.729 ( -1.798 0.000 0.888) 2.005 4.847 ( -0.389 0.000 0.223) 0.449 5.000 ( 5.383 0.000 4.115) 6.776 5.125 ( 4.479 0.000 0.726) 4.537 5.360 ( 2.269 0.000 1.456) 2.696 5.846 ( 1.063 0.000 -0.120) 1.070 5.996 ( 8.475 0.000 3.163) 9.046 6.149 ( 0.017 0.000 1.774) 1.774 6.201 ( -2.053 0.000 -0.057) 2.054 6.475 ( -2.147 0.000 -4.419) 4.913 18.733 ( 0.165 0.000 -0.071) 0.179 18.857 ( 0.073 0.000 0.200) 0.213 19.059 ( 0.004 0.000 0.031) 0.031 19.207 ( -0.012 0.000 0.031) 0.033 41.822 ( 0.327 0.000 0.072) 0.334 41.857 ( 0.249 0.000 0.210) 0.326 66.161 ( -5.843 0.000 -4.734) 7.520 68.022 ( 2.060 0.000 -0.072) 2.061 ======================= Grid point 106 (38/192) ======================= q-point: (-0.22 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.833 ( -17.808 0.000 10.255) 20.550 0.954 ( -21.369 0.000 3.019) 21.581 1.849 ( -40.135 0.000 7.730) 40.873 2.090 ( -1.264 0.000 -0.552) 1.379 2.504 ( -23.020 0.000 -6.000) 23.789 3.072 ( 8.684 0.000 -2.229) 8.966 3.546 ( 1.136 0.000 -7.466) 7.552 3.910 ( 1.846 0.000 -1.364) 2.295 4.219 ( 0.412 0.000 -9.282) 9.291 4.220 ( -8.737 0.000 0.798) 8.773 4.311 ( 5.183 0.000 -0.635) 5.222 4.416 ( 0.464 0.000 10.023) 10.034 4.666 ( -5.960 0.000 0.408) 5.974 4.812 ( -0.460 0.000 1.343) 1.419 5.212 ( 10.352 0.000 7.100) 12.553 5.216 ( 4.402 0.000 -0.174) 4.405 5.386 ( 0.053 0.000 -0.137) 0.146 5.872 ( 1.604 0.000 -0.031) 1.605 5.958 ( -5.597 0.000 -3.428) 6.563 6.149 ( -2.988 0.000 -0.018) 2.988 6.301 ( 4.503 0.000 11.856) 12.682 6.431 ( 2.244 0.000 -10.135) 10.380 18.737 ( 0.260 0.000 0.068) 0.269 18.860 ( 0.044 0.000 0.220) 0.224 19.059 ( 0.017 0.000 0.044) 0.047 19.207 ( -0.033 0.000 0.004) 0.033 41.831 ( 0.482 0.000 0.202) 0.523 41.860 ( 0.100 0.000 -0.323) 0.338 66.024 ( -5.648 0.000 -3.794) 6.804 68.027 ( -1.107 0.000 -7.466) 7.548 ======================= Grid point 107 (39/192) ======================= q-point: (-0.11 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.565 ( -18.821 0.000 12.172) 22.414 0.567 ( -15.309 0.000 17.027) 22.897 1.064 ( -40.113 0.000 16.996) 43.565 2.046 ( -18.319 0.000 -4.516) 18.868 2.051 ( -1.705 0.000 -2.865) 3.334 3.209 ( 6.435 0.000 -7.385) 9.795 3.523 ( -0.753 0.000 -2.589) 2.696 3.926 ( 0.246 0.000 -0.193) 0.312 4.126 ( 0.578 0.000 3.864) 3.907 4.180 ( 0.236 0.000 -10.132) 10.135 4.418 ( 3.706 0.000 3.033) 4.789 4.485 ( 1.277 0.000 10.482) 10.559 4.527 ( -5.850 0.000 -1.298) 5.992 4.823 ( 0.102 0.000 1.577) 1.581 5.289 ( 2.833 0.000 -0.769) 2.936 5.327 ( -2.360 0.000 -1.420) 2.754 5.432 ( 2.960 0.000 2.025) 3.586 5.848 ( -1.907 0.000 -5.738) 6.046 5.908 ( 1.817 0.000 -0.055) 1.818 6.088 ( -2.901 0.000 0.109) 2.903 6.272 ( -7.720 0.000 -2.912) 8.251 6.553 ( 8.972 0.000 3.202) 9.526 18.750 ( 1.142 0.000 1.292) 1.724 18.860 ( -0.066 0.000 0.151) 0.164 19.060 ( 0.016 0.000 0.066) 0.068 19.206 ( -0.037 0.000 -0.038) 0.053 41.838 ( 0.018 0.000 -0.113) 0.114 41.861 ( 0.275 0.000 -0.404) 0.489 65.927 ( -2.365 0.000 -1.858) 3.008 67.755 ( -27.894 0.000 -38.374) 47.441 ======================= Grid point 108 (40/192) ======================= q-point: ( 0.00 0.09 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.526 ( -3.261 16.535 9.431) 19.313 0.627 ( -2.460 17.863 13.050) 22.259 1.113 ( 1.580 29.581 24.716) 38.580 1.847 ( 0.296 2.081 -5.059) 5.478 2.138 ( -0.904 11.856 -5.923) 13.284 3.199 ( 1.594 -4.387 -8.916) 10.064 3.568 ( 9.820 -6.932 5.654) 13.283 3.963 ( -2.345 0.840 0.194) 2.498 4.073 ( 0.865 -6.280 -1.703) 6.564 4.340 ( 0.694 -2.691 0.009) 2.779 4.400 ( -0.900 1.730 -0.747) 2.088 4.507 ( 12.274 1.171 -2.229) 12.529 4.589 ( -7.939 1.681 -1.043) 8.182 4.793 ( -1.970 -2.029 -0.874) 2.960 5.123 ( -7.853 -2.843 -2.588) 8.743 5.333 ( 3.684 5.709 -4.893) 8.373 5.403 ( -7.685 5.108 0.926) 9.274 5.880 ( 5.191 -0.576 -1.235) 5.367 5.912 ( -6.386 -0.432 -0.160) 6.402 6.038 ( -2.623 1.875 0.575) 3.275 6.066 ( 1.127 1.599 -1.358) 2.381 6.552 ( 1.891 -9.912 9.379) 13.776 18.772 ( 0.802 -1.755 1.741) 2.599 18.851 ( -0.191 -0.655 -0.062) 0.685 19.113 ( 0.245 2.394 -1.926) 3.082 19.210 ( 0.097 0.369 -0.001) 0.381 41.838 ( 0.027 0.095 0.037) 0.106 41.866 ( -0.126 -0.094 0.095) 0.183 65.928 ( 1.415 0.284 0.522) 1.535 66.318 ( -14.209 -2.212 0.748) 14.399 ======================= Grid point 109 (41/192) ======================= q-point: ( 0.11 0.09 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.671 ( 9.816 6.302 14.751) 18.806 0.898 ( 18.179 11.440 11.264) 24.254 1.434 ( 20.551 23.696 16.570) 35.474 2.036 ( 18.931 1.588 -5.076) 19.664 2.102 ( 0.525 10.950 -6.916) 12.962 3.157 ( -2.022 -3.101 -8.467) 9.241 3.728 ( -2.501 -11.672 5.356) 13.083 3.997 ( 3.304 -1.123 1.100) 3.659 4.057 ( 0.018 -1.116 -6.192) 6.291 4.147 ( -8.341 4.469 2.404) 9.763 4.362 ( -0.095 -3.855 1.672) 4.203 4.477 ( 5.163 -2.331 -1.151) 5.780 4.764 ( 0.073 -2.550 -1.519) 2.969 4.841 ( 5.582 5.542 1.583) 8.024 4.992 ( -3.287 2.560 -1.840) 4.554 5.308 ( -3.132 3.562 -1.113) 4.872 5.418 ( 1.901 -0.917 1.011) 2.340 5.701 ( -8.068 -4.553 -1.884) 9.454 5.949 ( 3.102 -0.339 -1.316) 3.387 6.077 ( 1.579 4.462 -1.422) 4.942 6.138 ( 4.685 3.028 -1.150) 5.696 6.609 ( 0.829 -7.764 4.544) 9.034 18.772 ( -1.071 -1.139 1.192) 1.966 18.848 ( -0.024 -0.783 0.020) 0.784 19.091 ( -0.987 2.192 -0.489) 2.453 19.210 ( -0.072 0.420 -0.033) 0.427 41.833 ( -0.480 0.113 -0.148) 0.515 41.843 ( -1.426 -0.224 -0.179) 1.454 66.006 ( 6.068 -1.132 1.278) 6.304 66.843 ( 41.304 -14.826 -19.823) 48.154 ======================= Grid point 110 (42/192) ======================= q-point: ( 0.22 0.09 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.986 ( 15.537 2.679 12.505) 20.124 1.296 ( 16.754 8.589 10.654) 21.633 1.953 ( 23.343 11.172 3.905) 26.171 2.081 ( 0.997 10.131 -7.002) 12.356 2.486 ( 24.299 0.727 -3.911) 24.622 3.073 ( -2.290 -1.289 -2.364) 3.534 3.622 ( -5.551 -8.271 0.397) 9.969 3.923 ( -2.889 -2.774 -0.110) 4.007 4.053 ( -1.791 1.751 -5.771) 6.291 4.215 ( 5.485 2.121 -1.789) 6.147 4.364 ( -0.109 -7.985 6.947) 10.584 4.601 ( 6.189 -2.998 -1.504) 7.039 4.810 ( 2.865 -0.225 1.684) 3.331 4.829 ( -3.677 6.782 5.745) 9.619 4.952 ( -1.058 1.634 -0.793) 2.102 5.231 ( -4.196 3.553 -1.320) 5.654 5.365 ( -5.569 -0.289 -0.208) 5.580 5.600 ( -3.103 -10.347 -2.699) 11.135 6.025 ( 4.397 -3.643 0.215) 5.714 6.075 ( -0.468 8.669 -2.915) 9.158 6.201 ( 1.834 1.776 -0.951) 2.725 6.638 ( 0.950 -2.022 2.789) 3.573 18.754 ( -0.969 -0.417 0.539) 1.184 18.848 ( -0.035 -0.746 0.097) 0.753 19.078 ( -0.373 1.517 -0.020) 1.562 19.208 ( -0.047 0.309 -0.045) 0.316 41.818 ( -0.454 -0.431 -0.956) 1.142 41.826 ( -0.354 0.126 -0.032) 0.377 66.142 ( 6.277 -2.644 1.561) 6.988 67.386 ( 21.690 -13.908 -16.203) 30.437 ======================= Grid point 111 (43/192) ======================= q-point: ( 0.33 0.09 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( 18.357 0.772 8.815) 20.379 1.642 ( 13.696 6.688 7.982) 17.205 2.057 ( -0.523 8.563 -5.781) 10.345 2.234 ( 2.053 3.533 -8.010) 8.992 2.870 ( 15.891 1.870 -0.151) 16.001 3.165 ( 10.103 -1.654 4.906) 11.352 3.559 ( -0.325 -7.229 -2.816) 7.765 3.885 ( -1.545 -3.049 0.457) 3.449 3.993 ( -1.265 0.429 -4.659) 4.847 4.231 ( -0.247 0.167 -7.440) 7.446 4.437 ( 2.997 -5.649 8.662) 10.767 4.683 ( -0.579 1.302 2.827) 3.166 4.733 ( -2.706 -2.069 3.157) 4.644 4.891 ( 0.717 -1.480 2.716) 3.175 4.979 ( 3.719 3.207 1.263) 5.071 5.140 ( -3.927 4.011 0.808) 5.671 5.268 ( -2.580 0.664 -3.749) 4.599 5.496 ( -6.286 -10.206 -2.605) 12.266 6.039 ( -1.137 9.070 -2.162) 9.393 6.113 ( 3.350 -1.912 0.199) 3.862 6.210 ( -0.330 -1.259 -0.297) 1.335 6.668 ( 0.800 3.365 1.932) 3.962 18.740 ( -0.563 -0.196 0.186) 0.624 18.848 ( -0.046 -0.686 0.112) 0.697 19.073 ( -0.145 1.211 0.039) 1.220 19.208 ( -0.007 0.193 -0.030) 0.195 41.813 ( 0.191 -0.489 -0.815) 0.969 41.824 ( 0.160 0.194 -0.033) 0.254 66.248 ( 3.710 -3.812 -0.088) 5.320 67.645 ( 10.553 -10.977 -7.698) 17.062 ======================= Grid point 112 (44/192) ======================= q-point: ( 0.44 0.09 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.743 ( 11.854 -0.431 2.208) 12.065 1.851 ( 2.330 4.635 3.249) 6.121 2.031 ( 1.163 8.586 -2.147) 8.927 2.093 ( -5.199 3.421 -5.071) 8.028 3.143 ( 8.875 -0.790 2.838) 9.351 3.315 ( 1.356 -3.031 1.674) 3.718 3.560 ( 0.755 -5.560 -3.755) 6.752 3.858 ( -1.242 0.221 -0.956) 1.583 3.987 ( 1.717 -3.169 -0.578) 3.650 4.193 ( 0.084 -0.973 -7.338) 7.403 4.529 ( 2.602 -3.803 5.040) 6.829 4.623 ( -2.823 0.484 3.632) 4.625 4.695 ( -5.161 -2.280 3.795) 6.800 4.915 ( 0.237 -0.664 -2.254) 2.361 5.038 ( 0.894 0.295 3.911) 4.022 5.104 ( -1.659 4.307 0.382) 4.631 5.251 ( 3.207 -0.659 -3.025) 4.458 5.377 ( -2.169 -8.062 0.035) 8.349 6.024 ( 0.839 13.040 -1.703) 13.177 6.152 ( 0.208 -6.093 -0.082) 6.097 6.198 ( -0.549 -1.736 0.358) 1.856 6.676 ( -0.770 6.909 0.840) 7.002 18.733 ( -0.213 -0.109 0.050) 0.245 18.848 ( -0.020 -0.671 0.120) 0.682 19.071 ( -0.053 1.119 0.036) 1.121 19.208 ( 0.018 0.119 -0.002) 0.120 41.815 ( 0.168 -0.185 -0.263) 0.363 41.832 ( 0.564 -0.120 -0.014) 0.577 66.282 ( 0.123 -4.250 -2.413) 4.889 67.777 ( 5.284 -10.128 -2.123) 11.619 ======================= Grid point 113 (45/192) ======================= q-point: (-0.44 0.09 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.594 ( -15.821 2.688 -2.845) 16.298 1.759 ( -12.452 8.117 -1.755) 14.968 2.102 ( 6.115 6.234 2.502) 9.084 2.285 ( 15.275 0.380 0.526) 15.289 3.136 ( -12.498 -1.421 3.539) 13.067 3.264 ( -5.965 -3.653 0.544) 7.016 3.544 ( -0.200 -2.477 -5.666) 6.186 3.827 ( -0.633 -0.536 -2.040) 2.202 4.050 ( 4.232 -3.893 1.481) 5.938 4.178 ( 0.620 -2.770 -5.706) 6.373 4.507 ( -2.402 -2.939 -2.088) 4.332 4.579 ( -7.646 -0.745 4.195) 8.753 4.702 ( 6.157 0.137 5.692) 8.386 4.868 ( -4.901 1.941 -0.798) 5.332 5.017 ( 0.471 -0.639 0.598) 0.994 5.062 ( -2.165 2.949 -1.247) 3.865 5.330 ( 3.435 2.176 0.299) 4.077 5.483 ( 9.120 -12.358 3.755) 15.811 6.066 ( 3.350 11.653 0.046) 12.124 6.126 ( -1.755 -4.346 -1.060) 4.806 6.192 ( -0.214 -2.715 -0.202) 2.731 6.640 ( -2.923 8.243 -0.331) 8.752 18.731 ( 0.028 -0.063 -0.008) 0.069 18.848 ( 0.028 -0.684 0.141) 0.699 19.071 ( 0.014 1.128 0.025) 1.128 19.208 ( 0.025 0.101 0.017) 0.105 41.817 ( 0.132 -0.058 -0.052) 0.153 41.843 ( 0.387 -0.422 0.246) 0.623 66.236 ( -3.181 -3.802 -4.010) 6.375 67.849 ( 2.373 -11.002 0.437) 11.263 ======================= Grid point 114 (46/192) ======================= q-point: (-0.33 0.09 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.254 ( -17.187 6.593 2.602) 18.591 1.454 ( -17.070 9.334 -0.386) 19.459 2.186 ( 1.877 8.514 1.016) 8.778 2.455 ( -8.692 0.486 2.050) 8.943 2.836 ( -9.676 -0.017 -5.510) 11.135 3.041 ( -14.401 -2.106 4.330) 15.184 3.518 ( 0.190 -2.884 -5.668) 6.362 3.835 ( 2.359 -2.931 -2.155) 4.336 4.145 ( 0.399 -5.726 0.820) 5.798 4.160 ( 3.356 -3.527 -3.940) 6.263 4.428 ( -8.910 1.036 2.638) 9.350 4.503 ( 3.441 3.686 -2.937) 5.836 4.769 ( -3.688 3.507 3.893) 6.407 4.822 ( 0.926 -2.531 0.378) 2.722 4.999 ( 0.841 0.597 2.626) 2.821 5.139 ( 7.856 1.995 0.466) 8.119 5.379 ( 0.990 1.199 0.452) 1.620 5.651 ( 5.543 -12.489 3.342) 14.066 6.042 ( -4.125 -6.364 -0.889) 7.636 6.146 ( -0.149 4.112 0.717) 4.177 6.232 ( 6.460 3.894 -0.665) 7.572 6.559 ( -4.804 7.314 -1.371) 8.858 18.733 ( 0.172 -0.033 -0.046) 0.181 18.850 ( 0.065 -0.705 0.182) 0.731 19.072 ( 0.123 1.237 0.013) 1.243 19.209 ( 0.020 0.134 0.013) 0.136 41.821 ( 0.337 -0.095 0.018) 0.351 41.848 ( 0.021 -0.704 0.273) 0.755 66.132 ( -5.192 -2.645 -4.318) 7.252 67.868 ( -1.084 -14.227 0.166) 14.269 ======================= Grid point 115 (47/192) ======================= q-point: (-0.22 0.09 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.952 ( -15.146 10.761 7.378) 19.991 1.106 ( -17.612 13.048 4.145) 22.307 1.942 ( -35.416 8.968 6.565) 37.119 2.198 ( -0.650 10.020 -1.070) 10.098 2.502 ( -21.974 -0.272 -5.697) 22.702 3.034 ( 7.787 -3.468 -2.557) 8.900 3.506 ( 0.520 -3.760 -4.541) 5.919 3.903 ( 5.431 -1.181 -1.783) 5.836 4.100 ( -1.993 -7.745 -1.422) 8.123 4.224 ( -3.373 -0.844 -0.038) 3.477 4.280 ( -1.141 1.621 -0.087) 1.984 4.583 ( 3.240 4.052 -3.436) 6.223 4.697 ( -4.139 6.257 4.300) 8.647 4.812 ( -0.186 0.761 1.648) 1.825 5.094 ( 4.881 -5.583 4.244) 8.544 5.322 ( 8.366 4.648 2.333) 9.851 5.371 ( -0.347 -1.333 -0.909) 1.651 5.744 ( 3.202 -9.718 2.548) 10.544 5.944 ( -4.708 -3.475 -2.898) 6.530 6.121 ( -1.735 -1.068 -0.338) 2.065 6.374 ( 6.118 1.734 1.609) 6.559 6.442 ( -6.292 4.668 -1.623) 8.001 18.737 ( 0.256 -0.022 0.065) 0.265 18.852 ( 0.052 -0.710 0.210) 0.742 19.077 ( 0.418 1.573 -0.044) 1.628 19.209 ( 0.004 0.195 -0.012) 0.195 41.831 ( 0.555 -0.043 0.146) 0.575 41.847 ( -0.084 -0.970 -0.094) 0.978 66.010 ( -4.985 -1.221 -3.451) 6.185 67.766 ( -10.256 -22.316 -4.475) 24.964 ======================= Grid point 116 (48/192) ======================= q-point: (-0.11 0.09 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.690 ( -13.780 14.573 6.406) 21.054 0.833 ( -14.109 16.976 11.342) 24.817 1.287 ( -29.419 20.701 14.764) 38.885 2.050 ( -16.385 1.170 -4.523) 17.038 2.184 ( -2.190 11.380 -3.349) 12.064 3.156 ( 5.848 -4.620 -6.995) 10.221 3.492 ( -0.567 -3.100 -1.147) 3.354 4.010 ( 1.268 4.445 -0.932) 4.715 4.070 ( -0.593 -7.545 -0.165) 7.571 4.150 ( 5.909 1.917 -0.066) 6.213 4.324 ( 2.142 -1.289 -1.116) 2.738 4.509 ( -6.000 -1.680 -0.906) 6.296 4.713 ( 0.338 8.694 1.665) 8.859 4.822 ( -0.446 1.460 2.163) 2.648 5.178 ( 1.616 -7.464 1.330) 7.752 5.322 ( -0.886 -0.478 -1.205) 1.570 5.510 ( 4.185 4.627 1.093) 6.334 5.807 ( 1.660 -3.633 -2.726) 4.836 5.863 ( 0.850 -4.240 -0.084) 4.325 6.081 ( -1.891 -0.512 -0.401) 2.000 6.275 ( -9.747 -0.565 -5.696) 11.303 6.477 ( 2.249 -3.300 8.007) 8.948 18.746 ( 0.643 -0.211 0.848) 1.085 18.853 ( -0.036 -0.680 0.135) 0.695 19.092 ( 1.315 2.317 -0.514) 2.713 19.209 ( -0.001 0.256 -0.019) 0.257 41.837 ( 0.001 -0.012 -0.056) 0.058 41.853 ( 0.768 -0.524 0.026) 0.930 65.926 ( -1.945 -0.064 -1.633) 2.541 67.265 ( -41.791 -32.626 -13.847) 54.797 ======================= Grid point 117 (49/192) ======================= q-point: ( 0.00 0.18 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.932 ( -2.730 20.978 0.423) 21.159 1.035 ( -2.463 20.909 5.285) 21.707 1.739 ( 1.651 29.951 14.679) 33.395 1.911 ( 0.684 4.724 -2.436) 5.358 2.423 ( -0.336 13.915 -10.296) 17.314 3.099 ( 1.376 -4.081 -3.047) 5.275 3.435 ( 3.341 -6.305 5.022) 8.725 3.936 ( 2.003 -6.524 -0.730) 6.864 3.970 ( -3.164 0.028 1.132) 3.360 4.309 ( 1.414 -2.148 -3.035) 3.978 4.390 ( -3.037 -1.441 -0.404) 3.386 4.526 ( 2.429 -2.241 -2.077) 3.903 4.627 ( 5.925 2.571 -2.304) 6.858 4.763 ( -7.072 0.355 -3.709) 7.993 5.026 ( -2.511 -4.321 2.075) 5.412 5.333 ( 0.800 -2.774 4.889) 5.678 5.512 ( -4.565 3.062 -5.057) 7.469 5.856 ( 5.118 -2.384 1.720) 5.902 5.909 ( -3.739 0.539 0.273) 3.787 6.058 ( 0.195 0.844 -0.968) 1.299 6.094 ( 4.441 0.200 -4.182) 6.103 6.420 ( -2.752 -3.763 7.708) 9.008 18.752 ( 0.212 -0.496 0.760) 0.932 18.833 ( -0.146 -1.018 -0.065) 1.030 19.149 ( 0.060 1.471 -1.038) 1.801 19.218 ( 0.139 0.416 0.120) 0.454 41.841 ( -0.029 0.171 0.013) 0.174 41.863 ( -0.071 -0.151 0.055) 0.175 65.938 ( 1.172 0.689 0.466) 1.437 66.271 ( -4.663 -2.501 0.288) 5.299 ======================= Grid point 118 (50/192) ======================= q-point: ( 0.11 0.18 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.946 ( 4.922 18.230 1.369) 18.932 1.187 ( 12.361 15.931 7.170) 21.401 1.922 ( 11.239 19.638 6.769) 23.617 2.108 ( 17.618 8.514 2.363) 19.710 2.373 ( -0.044 13.781 -10.516) 17.335 3.083 ( -1.417 -3.167 -3.273) 4.769 3.508 ( -1.348 -9.515 6.300) 11.491 3.922 ( -1.072 -5.592 0.750) 5.743 4.037 ( 6.382 -0.319 -1.916) 6.671 4.206 ( -10.461 1.983 0.061) 10.647 4.371 ( -0.401 1.614 -3.482) 3.859 4.417 ( 2.459 -3.335 0.882) 4.236 4.680 ( 1.515 -5.285 -4.819) 7.311 4.909 ( 10.466 2.155 -1.822) 10.840 4.975 ( -3.175 -2.910 2.157) 4.817 5.356 ( -1.290 -1.093 5.524) 5.777 5.437 ( -1.580 3.650 -3.795) 5.497 5.645 ( -14.230 -0.977 -1.023) 14.300 5.906 ( 0.058 -2.995 0.235) 3.005 6.141 ( 2.358 -0.249 0.890) 2.533 6.204 ( 6.325 3.614 -5.279) 8.996 6.472 ( 5.218 -4.294 5.939) 8.996 18.753 ( -0.377 -0.636 0.646) 0.982 18.830 ( -0.068 -0.976 -0.056) 0.980 19.133 ( -1.018 1.829 -0.562) 2.167 19.219 ( -0.116 0.435 0.069) 0.456 41.837 ( -0.364 0.142 -0.046) 0.393 41.839 ( -1.723 0.040 -0.032) 1.723 65.983 ( 3.850 -0.939 0.949) 4.075 66.578 ( 27.534 -10.726 -6.334) 30.221 ======================= Grid point 119 (51/192) ======================= q-point: ( 0.22 0.18 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.136 ( 12.351 11.586 4.113) 17.428 1.495 ( 14.332 10.605 7.179) 19.220 2.180 ( 10.828 8.506 -3.961) 14.328 2.350 ( 1.986 15.201 -5.784) 16.386 2.541 ( 22.434 5.476 1.732) 23.158 3.036 ( -1.266 -2.027 -0.200) 2.398 3.452 ( -4.224 -7.512 3.707) 9.381 3.859 ( -4.620 -3.388 0.216) 5.733 4.036 ( -2.148 -3.103 -2.878) 4.746 4.213 ( 4.563 -3.053 4.436) 7.059 4.305 ( -3.069 2.264 -2.713) 4.680 4.527 ( 5.669 -3.773 -1.620) 7.000 4.760 ( 6.789 -4.027 -2.523) 8.287 4.915 ( -3.887 -1.542 1.979) 4.626 4.988 ( -1.297 3.546 1.743) 4.158 5.295 ( -5.411 1.244 -1.526) 5.758 5.377 ( -4.789 2.493 -0.570) 5.429 5.452 ( -4.042 -3.528 1.275) 5.515 5.911 ( 1.059 -6.263 0.104) 6.353 6.163 ( -0.237 -3.464 1.482) 3.775 6.279 ( 3.523 7.863 -4.870) 9.897 6.626 ( 7.365 1.350 2.848) 8.011 18.745 ( -0.587 -0.394 0.296) 0.767 18.830 ( -0.000 -0.998 0.050) 0.999 19.114 ( -0.664 1.888 -0.142) 2.006 19.216 ( -0.186 0.375 0.007) 0.418 41.810 ( -0.849 -0.279 -0.378) 0.970 41.832 ( -0.209 0.368 -0.072) 0.430 66.076 ( 4.434 -3.419 1.019) 5.691 67.057 ( 21.277 -16.897 -8.159) 28.369 ======================= Grid point 120 (52/192) ======================= q-point: ( 0.33 0.18 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.444 ( 16.159 6.346 4.537) 17.943 1.789 ( 11.903 7.216 5.433) 14.942 2.227 ( -0.969 5.580 -9.058) 10.682 2.370 ( -1.770 11.146 -4.493) 12.147 2.920 ( 13.811 2.405 0.678) 14.035 3.108 ( 7.236 -4.061 5.232) 9.809 3.423 ( 0.824 -4.960 0.527) 5.056 3.795 ( -1.882 -4.420 1.842) 5.145 3.983 ( -1.789 -2.239 -4.102) 5.004 4.210 ( -3.189 -2.872 -2.267) 4.854 4.336 ( 4.535 -3.490 2.745) 6.347 4.613 ( 2.945 -4.605 0.270) 5.473 4.770 ( -7.157 1.834 -0.949) 7.449 4.852 ( 0.491 -1.451 3.392) 3.722 5.034 ( 5.036 -0.958 1.407) 5.316 5.175 ( -5.399 0.382 -3.219) 6.297 5.269 ( -5.729 1.103 0.409) 5.849 5.401 ( -2.259 0.660 0.534) 2.414 5.949 ( 2.231 -8.050 0.715) 8.384 6.149 ( -1.492 -4.527 0.193) 4.770 6.316 ( 2.110 12.119 -3.055) 12.675 6.764 ( 5.178 5.672 1.583) 7.841 18.735 ( -0.398 -0.200 0.099) 0.456 18.830 ( -0.022 -1.004 0.086) 1.008 19.104 ( -0.289 1.759 -0.016) 1.782 19.213 ( -0.127 0.254 -0.019) 0.285 41.803 ( 0.267 -0.364 -0.474) 0.655 41.830 ( -0.021 0.325 -0.005) 0.326 66.150 ( 2.544 -5.275 -0.120) 5.858 67.348 ( 11.241 -17.215 -4.814) 21.116 ======================= Grid point 121 (53/192) ======================= q-point: ( 0.44 0.18 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.768 ( 11.280 2.964 1.219) 11.727 1.955 ( 2.216 4.924 1.910) 5.727 2.178 ( 1.816 5.244 -2.497) 6.085 2.246 ( -6.182 11.152 -4.182) 13.420 3.122 ( 6.058 -1.341 1.926) 6.496 3.219 ( -0.254 -6.184 3.066) 6.907 3.466 ( 2.697 -3.194 -1.793) 4.548 3.792 ( -0.123 -5.092 3.106) 5.965 3.949 ( 0.383 -1.282 -2.677) 2.993 4.141 ( -2.101 -4.571 -6.106) 7.911 4.430 ( 2.842 -5.237 2.478) 6.454 4.611 ( -2.507 -2.831 2.158) 4.354 4.655 ( -3.776 -0.132 0.405) 3.800 4.928 ( 4.738 0.329 1.606) 5.013 5.067 ( -2.647 2.483 0.328) 3.643 5.102 ( -0.622 -7.986 -0.706) 8.041 5.179 ( -1.896 2.948 0.877) 3.613 5.378 ( 0.136 3.420 0.087) 3.424 5.985 ( 0.608 -8.717 -0.005) 8.738 6.115 ( -1.355 -4.015 -0.395) 4.256 6.343 ( 1.556 14.203 -1.376) 14.355 6.836 ( 1.382 8.211 0.902) 8.375 18.730 ( -0.137 -0.093 0.044) 0.171 18.830 ( -0.023 -1.015 0.085) 1.019 19.101 ( -0.081 1.689 0.011) 1.691 19.211 ( -0.036 0.162 -0.018) 0.167 41.811 ( 0.500 -0.141 -0.232) 0.569 41.830 ( 0.082 -0.015 0.070) 0.109 66.172 ( -0.014 -5.981 -1.790) 6.243 67.491 ( 4.911 -17.277 -1.488) 18.023 ======================= Grid point 122 (54/192) ======================= q-point: (-0.44 0.18 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.684 ( -11.911 5.766 -2.132) 13.404 1.950 ( -10.958 9.649 0.730) 14.619 2.244 ( 12.128 5.429 1.660) 13.391 2.317 ( 7.896 4.248 -2.227) 9.239 3.095 ( -10.602 -2.500 2.110) 11.095 3.169 ( -4.486 -5.154 0.468) 6.849 3.491 ( 0.165 -2.377 -1.578) 2.858 3.778 ( -2.446 -3.960 2.104) 5.108 3.993 ( 4.722 -1.401 -1.018) 5.030 4.074 ( -2.334 -7.086 -5.482) 9.258 4.449 ( 0.883 -3.286 -2.137) 4.017 4.558 ( -5.478 -1.489 2.961) 6.402 4.653 ( 4.133 -3.316 0.826) 5.362 4.932 ( -4.820 2.769 2.303) 6.017 5.054 ( 4.652 4.580 -0.157) 6.530 5.135 ( -2.913 3.639 -1.043) 4.777 5.213 ( 7.771 -10.814 2.830) 13.614 5.403 ( 1.621 1.989 1.178) 2.823 5.961 ( -2.425 -8.201 -0.940) 8.604 6.103 ( 0.036 -5.094 -0.816) 5.160 6.372 ( 1.858 14.051 -0.380) 14.179 6.823 ( -2.930 9.092 0.532) 9.567 18.730 ( 0.067 -0.031 0.029) 0.079 18.830 ( 0.014 -1.036 0.093) 1.041 19.101 ( 0.073 1.701 0.008) 1.702 19.211 ( 0.046 0.141 -0.015) 0.149 41.816 ( 0.012 -0.062 -0.031) 0.071 41.834 ( 0.221 -0.313 0.188) 0.427 66.138 ( -2.250 -5.330 -2.994) 6.515 67.542 ( 0.383 -18.409 0.330) 18.416 ======================= Grid point 123 (55/192) ======================= q-point: (-0.33 0.18 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.433 ( -12.343 10.302 2.187) 16.225 1.681 ( -14.824 11.853 0.961) 19.004 2.401 ( 3.125 9.762 -2.231) 10.490 2.471 ( 2.325 2.725 1.838) 4.026 2.830 ( -13.053 -0.915 -4.849) 13.955 2.989 ( -11.843 -2.482 2.661) 12.389 3.450 ( -3.397 -3.247 0.456) 4.721 3.761 ( 1.614 -3.747 -0.371) 4.097 4.010 ( -1.716 -6.852 -3.041) 7.691 4.108 ( 6.527 -1.359 -1.299) 6.793 4.428 ( -6.238 -1.136 4.238) 7.626 4.523 ( 4.368 -2.422 -4.862) 6.970 4.738 ( 3.163 -3.537 0.114) 4.746 4.884 ( -0.371 5.805 2.826) 6.468 5.039 ( -4.087 3.143 1.495) 5.368 5.209 ( 8.677 4.568 0.538) 9.820 5.347 ( 3.610 -8.160 -1.491) 9.046 5.442 ( 1.772 -3.834 4.520) 6.187 5.905 ( -2.390 -6.855 -1.150) 7.350 6.089 ( -1.043 -5.935 -1.966) 6.339 6.411 ( 1.747 10.176 0.005) 10.324 6.728 ( -6.764 8.456 0.716) 10.852 18.732 ( 0.189 0.006 0.006) 0.189 18.831 ( 0.057 -1.059 0.130) 1.068 19.104 ( 0.310 1.794 -0.016) 1.821 19.212 ( 0.097 0.192 -0.025) 0.217 41.815 ( 0.076 -0.463 0.012) 0.469 41.838 ( 0.015 -0.152 0.249) 0.292 66.065 ( -3.567 -3.593 -3.254) 6.018 67.496 ( -5.890 -20.997 0.476) 21.812 ======================= Grid point 124 (56/192) ======================= q-point: (-0.22 0.18 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.221 ( -10.410 14.553 3.669) 18.265 1.403 ( -13.524 14.817 4.867) 20.643 2.189 ( -21.872 13.932 3.552) 26.175 2.452 ( -6.965 11.764 -3.376) 14.082 2.501 ( -12.253 2.322 -4.862) 13.386 2.949 ( 5.464 -4.081 -1.779) 7.048 3.403 ( -1.205 -5.948 1.028) 6.155 3.840 ( 5.378 -4.493 -0.315) 7.015 4.003 ( 2.844 -2.034 -1.269) 3.720 4.202 ( 1.768 -0.927 -3.309) 3.864 4.313 ( -4.722 0.988 3.095) 5.732 4.552 ( -1.661 -4.158 -2.483) 5.120 4.752 ( -0.926 -1.859 -1.989) 2.876 4.935 ( 3.088 5.521 3.683) 7.320 5.013 ( -0.041 0.385 3.686) 3.706 5.333 ( -1.605 -2.132 -3.144) 4.124 5.405 ( 9.804 3.398 1.501) 10.485 5.536 ( 5.557 -9.456 4.821) 11.981 5.853 ( -2.667 -4.807 -2.967) 6.246 6.054 ( -1.120 -5.818 -1.898) 6.222 6.416 ( -1.964 3.927 -1.722) 4.716 6.577 ( -8.166 6.709 3.036) 10.996 18.737 ( 0.244 0.017 0.055) 0.251 18.833 ( 0.071 -1.069 0.160) 1.083 19.115 ( 0.792 1.950 -0.121) 2.108 19.214 ( 0.095 0.284 -0.041) 0.302 41.823 ( 0.684 -0.640 0.083) 0.940 41.838 ( -0.018 0.104 0.112) 0.154 65.981 ( -3.322 -1.447 -2.581) 4.449 67.269 ( -18.059 -24.029 -0.913) 30.072 ======================= Grid point 125 (57/192) ======================= q-point: (-0.11 0.18 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.038 ( -8.576 18.127 2.021) 20.155 1.188 ( -11.319 17.620 6.490) 21.925 1.809 ( -15.013 27.887 9.606) 33.096 2.085 ( -15.412 2.389 -3.553) 15.995 2.462 ( 0.201 13.912 -7.558) 15.833 3.049 ( 4.677 -4.598 -2.873) 7.161 3.400 ( -0.128 -5.697 1.880) 6.001 3.905 ( 1.120 -6.618 0.902) 6.772 4.069 ( -4.565 0.312 -0.633) 4.619 4.214 ( 12.632 3.235 -2.101) 13.208 4.314 ( 1.459 -0.149 -0.927) 1.735 4.465 ( -4.633 -2.494 -0.895) 5.337 4.704 ( -2.893 -5.048 -3.333) 6.705 4.937 ( -5.560 5.344 0.966) 7.772 5.038 ( 0.259 -5.585 4.238) 7.016 5.307 ( 0.208 -1.121 0.169) 1.153 5.583 ( 4.161 2.221 0.797) 4.783 5.720 ( 11.258 -4.072 2.906) 12.319 5.769 ( -1.144 -4.332 -4.259) 6.182 6.049 ( 1.297 -2.935 -1.290) 3.458 6.269 ( -10.866 1.039 -3.528) 11.472 6.474 ( -4.737 1.595 6.193) 7.958 18.743 ( 0.313 -0.089 0.363) 0.488 18.835 ( -0.001 -1.064 0.091) 1.068 19.135 ( 1.307 1.863 -0.525) 2.336 19.216 ( 0.074 0.375 0.005) 0.382 41.839 ( 0.145 0.238 0.006) 0.279 41.844 ( 1.349 -0.287 0.142) 1.386 65.927 ( -0.905 0.272 -1.136) 1.478 66.745 ( -32.171 -18.420 -1.379) 37.096 ======================= Grid point 126 (58/192) ======================= q-point: ( 0.00 0.27 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.343 ( -0.684 19.115 -1.446) 19.181 1.440 ( -2.168 18.247 1.915) 18.475 1.972 ( 0.416 3.564 -2.894) 4.609 2.343 ( 1.046 24.202 6.999) 25.216 2.600 ( 1.816 3.572 -13.901) 14.467 3.107 ( -1.414 4.726 8.121) 9.502 3.334 ( 1.611 -1.942 3.963) 4.698 3.813 ( 1.142 -5.559 -1.949) 6.000 3.966 ( -1.249 -0.442 0.981) 1.649 4.230 ( 1.907 -5.100 -1.844) 5.749 4.367 ( -2.409 -1.360 -0.558) 2.822 4.408 ( -2.113 -7.273 -3.912) 8.524 4.700 ( 12.538 4.188 -1.476) 13.301 4.802 ( -10.545 2.416 -3.514) 11.375 4.964 ( -2.853 -1.890 4.333) 5.522 5.257 ( 0.872 -4.379 3.719) 5.812 5.542 ( -2.282 0.499 -2.854) 3.688 5.780 ( 5.148 -4.721 3.056) 7.624 5.932 ( -3.188 1.307 -0.301) 3.459 6.066 ( 5.323 -1.001 -4.234) 6.874 6.091 ( 1.038 0.750 -0.709) 1.464 6.363 ( -4.890 -2.442 4.160) 6.869 18.746 ( 0.041 -0.076 0.220) 0.236 18.811 ( -0.074 -1.116 -0.020) 1.119 19.177 ( 0.001 1.256 -0.546) 1.370 19.226 ( 0.113 0.312 0.119) 0.352 41.845 ( -0.034 0.190 -0.019) 0.194 41.860 ( -0.021 -0.159 0.004) 0.160 65.957 ( 0.798 1.230 0.387) 1.516 66.215 ( -1.836 -2.964 0.016) 3.487 ======================= Grid point 127 (59/192) ======================= q-point: ( 0.11 0.27 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.335 ( 1.844 18.827 -3.386) 19.218 1.515 ( 7.347 15.706 4.339) 17.874 2.089 ( 11.271 3.318 -4.144) 12.458 2.436 ( 5.765 11.900 -0.119) 13.224 2.615 ( 4.597 12.544 -5.093) 14.297 3.082 ( -3.832 3.540 6.002) 7.952 3.364 ( -1.286 -3.609 5.899) 7.033 3.801 ( -0.949 -6.111 -1.347) 6.329 4.036 ( 4.737 0.209 0.086) 4.743 4.235 ( -9.181 0.534 -2.405) 9.505 4.319 ( 7.293 -4.665 -2.361) 8.973 4.373 ( 0.410 -3.522 0.946) 3.670 4.599 ( -4.282 -1.312 -5.318) 6.953 4.877 ( -1.871 -4.331 4.844) 6.762 4.977 ( 7.447 2.596 -2.322) 8.221 5.311 ( 2.199 -2.869 2.378) 4.327 5.503 ( -1.360 2.502 -1.321) 3.139 5.650 ( -15.553 1.169 -1.242) 15.646 5.836 ( -0.992 -3.821 0.994) 4.071 6.067 ( -3.344 -5.743 2.369) 7.055 6.275 ( 10.127 3.147 -3.623) 11.206 6.438 ( 10.140 -0.122 2.246) 10.386 18.745 ( -0.239 -0.173 0.183) 0.347 18.809 ( -0.059 -1.058 -0.017) 1.060 19.166 ( -0.705 1.501 -0.394) 1.704 19.226 ( -0.134 0.272 0.095) 0.318 41.837 ( -1.276 0.008 -0.040) 1.277 41.845 ( -0.560 0.305 -0.020) 0.638 65.974 ( 1.543 0.176 0.649) 1.683 66.393 ( 16.567 -7.791 -2.103) 18.428 ======================= Grid point 128 (60/192) ======================= q-point: ( 0.22 0.27 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.418 ( 7.615 15.099 -1.451) 16.973 1.716 ( 10.097 10.846 4.671) 15.537 2.276 ( 7.211 1.967 -8.864) 11.595 2.577 ( 10.538 3.598 -7.289) 13.309 2.735 ( 5.517 13.400 5.394) 15.462 3.022 ( -3.056 1.418 4.540) 5.653 3.348 ( -1.600 -2.101 5.796) 6.369 3.779 ( -1.402 -4.738 -0.373) 4.955 3.973 ( -6.686 -2.043 -1.271) 7.106 4.159 ( -0.339 -2.253 1.476) 2.714 4.354 ( -3.809 2.105 -0.307) 4.363 4.454 ( 5.764 -3.349 -1.298) 6.791 4.644 ( 9.975 -7.023 -5.886) 13.545 4.823 ( -3.697 -5.624 4.295) 7.985 5.066 ( -0.335 3.333 -0.822) 3.449 5.300 ( -4.575 -0.148 -2.875) 5.405 5.417 ( -5.443 1.244 1.547) 5.793 5.459 ( -3.019 2.701 1.156) 4.213 5.784 ( -2.148 -5.840 -0.564) 6.248 6.043 ( -0.775 -7.256 3.052) 7.910 6.431 ( 7.554 6.902 -3.483) 10.809 6.677 ( 11.540 2.818 1.217) 11.941 18.739 ( -0.363 -0.102 0.063) 0.382 18.809 ( -0.025 -1.068 0.044) 1.069 19.151 ( -0.640 1.718 -0.170) 1.841 19.222 ( -0.276 0.229 0.025) 0.360 41.809 ( -1.006 0.183 -0.135) 1.032 41.839 ( -0.192 0.329 -0.057) 0.385 66.019 ( 2.254 -1.836 0.594) 2.967 66.730 ( 16.285 -15.039 -3.417) 22.429 ======================= Grid point 129 (61/192) ======================= q-point: ( 0.33 0.27 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.616 ( 12.027 9.990 0.388) 15.640 1.927 ( 8.733 6.291 2.996) 11.172 2.293 ( -0.415 1.804 -9.149) 9.334 2.638 ( -4.958 13.607 -2.613) 14.716 2.888 ( 9.447 -7.109 1.066) 11.871 3.059 ( 3.899 1.035 5.502) 6.823 3.375 ( 2.125 -0.338 2.984) 3.679 3.731 ( -2.643 -1.661 0.824) 3.228 3.899 ( -0.538 -5.665 -2.539) 6.231 4.140 ( -3.643 -3.040 4.047) 6.237 4.278 ( -0.915 -2.800 -3.691) 4.722 4.535 ( 2.243 -3.081 1.454) 4.079 4.740 ( -1.831 -3.382 -0.557) 3.886 4.807 ( 1.207 -5.631 -1.067) 5.857 5.007 ( -0.334 2.820 -1.388) 3.161 5.235 ( -1.586 2.833 0.967) 3.388 5.295 ( -7.255 1.832 0.327) 7.490 5.440 ( -0.090 1.986 0.144) 1.993 5.780 ( 1.255 -7.944 0.158) 8.044 6.036 ( -1.028 -6.344 1.061) 6.514 6.550 ( 5.395 10.686 -2.239) 12.178 6.879 ( 7.982 5.133 0.793) 9.523 18.733 ( -0.253 0.015 0.013) 0.254 18.808 ( -0.038 -1.102 0.063) 1.104 19.141 ( -0.342 1.745 -0.058) 1.779 19.217 ( -0.229 0.152 -0.020) 0.276 41.801 ( 0.230 0.156 -0.226) 0.358 41.836 ( -0.172 0.272 -0.009) 0.322 66.056 ( 1.184 -3.429 -0.060) 3.628 66.977 ( 9.680 -18.609 -2.459) 21.120 ======================= Grid point 130 (62/192) ======================= q-point: ( 0.44 0.27 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.856 ( 8.798 5.327 -0.510) 10.297 2.040 ( 2.222 3.289 -0.325) 3.982 2.275 ( 3.647 3.962 -2.270) 5.844 2.463 ( -9.768 9.154 -1.066) 13.429 3.048 ( 5.625 -6.210 -1.042) 8.444 3.135 ( -0.035 -0.500 3.977) 4.008 3.421 ( 1.378 -1.801 1.049) 2.498 3.706 ( -0.539 -2.586 1.635) 3.107 3.899 ( 1.463 -5.007 -3.228) 6.135 4.047 ( -5.052 -2.360 -0.887) 5.646 4.305 ( 2.836 -7.150 0.631) 7.718 4.551 ( -1.321 -3.138 3.627) 4.975 4.652 ( -4.639 -0.583 -2.327) 5.223 4.858 ( 4.844 -6.750 0.105) 8.309 5.028 ( 0.417 2.635 -0.172) 2.673 5.168 ( -3.368 4.626 0.382) 5.735 5.231 ( -0.690 2.718 1.755) 3.308 5.438 ( 0.127 2.072 -1.188) 2.392 5.804 ( 0.528 -8.597 0.038) 8.613 6.012 ( -1.348 -5.822 -0.305) 5.984 6.624 ( 2.645 12.968 -1.082) 13.279 6.991 ( 2.770 6.593 0.644) 7.181 18.730 ( -0.063 0.093 0.033) 0.118 18.808 ( -0.034 -1.125 0.049) 1.126 19.136 ( -0.095 1.722 -0.020) 1.725 19.214 ( -0.086 0.087 -0.038) 0.128 41.811 ( 0.688 0.159 -0.158) 0.723 41.831 ( -0.294 0.109 0.061) 0.319 66.064 ( -0.182 -4.009 -1.047) 4.148 67.103 ( 3.939 -20.153 -0.866) 20.553 ======================= Grid point 131 (63/192) ======================= q-point: (-0.44 0.27 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.813 ( -7.713 6.564 -2.415) 10.412 2.105 ( -5.410 4.487 3.206) 7.725 2.316 ( 4.889 3.729 -2.857) 6.780 2.436 ( 8.596 4.490 -0.352) 9.704 3.046 ( -8.106 -1.840 -0.315) 8.318 3.080 ( -3.676 -2.866 0.096) 4.662 3.450 ( 0.425 -1.759 2.404) 3.009 3.705 ( -0.692 -2.272 1.678) 2.908 3.900 ( -1.081 -8.523 -4.809) 9.845 4.003 ( 2.595 1.385 0.824) 3.055 4.350 ( 1.525 -6.470 -0.497) 6.666 4.512 ( -4.619 -2.970 2.632) 6.090 4.610 ( 2.769 -0.976 -1.692) 3.388 4.941 ( 1.218 -5.886 1.132) 6.116 5.038 ( 2.990 0.517 0.497) 3.075 5.183 ( 2.460 3.621 0.785) 4.447 5.213 ( -0.759 5.416 1.882) 5.784 5.437 ( 0.085 1.054 -1.393) 1.749 5.793 ( -1.314 -7.977 -0.407) 8.095 5.985 ( -1.111 -6.372 -1.339) 6.605 6.645 ( -0.204 12.551 -0.293) 12.556 6.991 ( -3.000 7.007 0.692) 7.654 18.731 ( 0.100 0.132 0.058) 0.176 18.808 ( 0.005 -1.138 0.043) 1.139 19.137 ( 0.117 1.729 -0.015) 1.733 19.213 ( 0.074 0.077 -0.048) 0.117 41.816 ( -0.333 0.089 0.001) 0.345 41.831 ( 0.375 0.017 0.074) 0.382 66.043 ( -1.215 -3.403 -1.797) 4.036 67.133 ( -0.895 -21.040 0.213) 21.060 ======================= Grid point 132 (64/192) ======================= q-point: (-0.33 0.27 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.647 ( -7.789 10.192 0.516) 12.838 1.900 ( -12.392 9.051 2.515) 15.550 2.433 ( 5.034 -1.453 -6.688) 8.496 2.625 ( 5.774 2.553 2.507) 6.793 2.824 ( -9.306 4.164 -4.120) 10.996 2.966 ( -7.529 0.525 1.683) 7.733 3.405 ( -6.767 -1.003 4.524) 8.201 3.710 ( 1.650 -0.851 0.323) 1.885 3.876 ( 1.837 -5.971 -2.436) 6.705 4.105 ( 5.910 0.823 -0.049) 5.968 4.379 ( -0.445 -4.073 2.326) 4.712 4.436 ( -1.047 -4.365 -2.762) 5.270 4.680 ( 2.941 -2.498 -0.257) 3.867 4.941 ( -2.167 -3.220 1.717) 4.244 5.107 ( 2.067 3.043 2.009) 4.192 5.187 ( 3.089 -2.231 -1.198) 3.994 5.309 ( 6.396 4.774 1.544) 8.129 5.418 ( -1.680 -0.517 -0.704) 1.894 5.769 ( -0.447 -6.365 -0.488) 6.399 5.949 ( -1.890 -7.435 -2.088) 7.951 6.613 ( -3.061 9.486 -0.002) 9.968 6.882 ( -8.120 6.328 1.047) 10.347 18.734 ( 0.199 0.148 0.050) 0.253 18.808 ( 0.054 -1.148 0.066) 1.152 19.141 ( 0.395 1.762 -0.038) 1.806 19.216 ( 0.185 0.128 -0.061) 0.233 41.809 ( -0.157 -0.078 0.065) 0.187 41.839 ( 0.229 0.119 0.086) 0.272 66.004 ( -1.774 -1.884 -1.978) 3.257 67.058 ( -7.235 -21.258 0.501) 22.461 ======================= Grid point 133 (65/192) ======================= q-point: (-0.22 0.27 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.512 ( -6.324 13.507 1.001) 14.948 1.682 ( -10.327 12.267 4.171) 16.569 2.379 ( -11.294 1.228 -2.561) 11.646 2.507 ( -5.789 1.682 -8.035) 10.045 2.739 ( -6.581 12.006 -2.598) 13.936 2.944 ( 5.795 6.018 5.183) 9.831 3.293 ( -4.133 -3.773 3.917) 6.831 3.759 ( 2.384 -3.301 0.263) 4.081 3.981 ( 8.879 -0.401 -0.631) 8.910 4.192 ( 2.001 -0.131 -3.445) 3.986 4.319 ( -3.663 -0.123 4.131) 5.522 4.448 ( 0.190 -5.448 -2.939) 6.193 4.680 ( -3.018 -4.765 -2.846) 6.317 4.882 ( -2.607 -6.462 6.044) 9.224 5.126 ( -1.597 5.075 1.622) 5.563 5.310 ( 4.667 0.896 -5.358) 7.161 5.396 ( 4.635 -4.148 2.692) 6.778 5.465 ( 8.438 2.408 1.417) 8.888 5.757 ( -1.510 -4.485 -3.020) 5.613 5.911 ( 0.052 -7.650 -0.352) 7.658 6.516 ( -6.894 5.352 -0.771) 8.762 6.693 ( -10.801 4.481 2.227) 11.904 18.738 ( 0.227 0.142 0.042) 0.271 18.810 ( 0.075 -1.159 0.093) 1.166 19.153 ( 0.768 1.730 -0.120) 1.897 19.220 ( 0.200 0.217 -0.063) 0.302 41.815 ( 0.844 -0.048 0.099) 0.851 41.842 ( 0.127 0.209 0.032) 0.247 65.962 ( -1.532 -0.102 -1.552) 2.183 66.831 ( -15.854 -18.901 0.261) 24.671 ======================= Grid point 134 (66/192) ======================= q-point: (-0.11 0.27 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.398 ( -4.845 16.862 -0.012) 17.545 1.532 ( -6.771 15.554 3.662) 17.355 2.105 ( -11.573 1.740 -2.965) 12.073 2.371 ( -5.888 21.627 2.439) 22.547 2.637 ( -0.324 3.464 -12.403) 12.881 3.064 ( 2.429 6.918 8.420) 11.164 3.288 ( 1.348 -3.815 2.702) 4.866 3.795 ( 1.139 -4.495 -0.192) 4.641 4.052 ( -5.174 -1.503 -0.861) 5.456 4.222 ( 3.705 -2.495 -2.876) 5.313 4.340 ( 5.736 2.063 2.063) 6.436 4.411 ( -1.665 -2.650 -1.247) 3.368 4.586 ( -2.045 -5.317 -5.308) 7.786 4.904 ( 0.456 -5.606 5.054) 7.562 5.054 ( -6.389 4.313 1.771) 7.910 5.273 ( -2.898 -2.215 0.133) 3.650 5.589 ( 4.629 -1.340 1.604) 5.079 5.647 ( 5.524 -3.870 -3.895) 7.788 5.719 ( 8.545 0.006 -0.319) 8.551 5.973 ( 5.318 -4.258 -0.415) 6.825 6.312 ( -12.816 2.724 -1.844) 13.232 6.503 ( -9.210 0.873 3.644) 9.943 18.743 ( 0.191 0.078 0.115) 0.237 18.812 ( 0.019 -1.162 0.058) 1.163 19.169 ( 0.850 1.471 -0.336) 1.732 19.223 ( 0.150 0.303 0.004) 0.339 41.840 ( 1.110 -0.084 0.070) 1.116 41.846 ( 0.479 0.277 -0.008) 0.553 65.941 ( 0.079 1.161 -0.629) 1.323 66.461 ( -19.124 -10.704 0.301) 21.918 ======================= Grid point 135 (67/192) ======================= q-point: ( 0.00 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.698 ( 0.083 15.139 -3.333) 15.502 1.762 ( -0.713 13.573 1.544) 13.679 2.025 ( 0.873 1.400 -1.225) 2.055 2.445 ( 2.835 -6.855 -12.876) 14.860 2.893 ( -1.439 18.768 6.091) 19.784 3.165 ( -1.049 1.580 9.022) 9.219 3.419 ( 0.638 7.635 1.325) 7.775 3.706 ( -0.288 -4.974 -2.231) 5.459 3.956 ( 0.804 -0.369 -0.544) 1.038 4.121 ( 1.769 -5.341 -1.346) 5.785 4.269 ( -2.373 -4.638 -1.912) 5.549 4.342 ( -2.145 -1.786 0.168) 2.796 4.774 ( 8.382 2.306 -0.704) 8.722 4.856 ( -3.909 3.733 -1.054) 5.507 4.937 ( -6.187 -1.314 2.571) 6.827 5.163 ( 1.038 -4.653 0.788) 4.832 5.548 ( -0.252 0.324 -0.905) 0.993 5.680 ( 4.707 -4.697 2.572) 7.130 5.954 ( -2.366 0.891 -0.730) 2.631 6.032 ( 6.219 -1.871 -2.258) 6.875 6.122 ( -1.092 2.014 -0.937) 2.476 6.307 ( -4.965 -3.193 1.692) 6.141 18.748 ( -0.017 0.240 -0.005) 0.241 18.789 ( -0.028 -1.027 0.007) 1.027 19.200 ( -0.002 1.014 -0.302) 1.058 19.230 ( 0.075 0.056 0.052) 0.107 41.849 ( -0.016 0.168 -0.049) 0.176 41.857 ( 0.005 -0.138 -0.040) 0.144 65.989 ( 0.409 1.869 0.274) 1.933 66.152 ( -0.801 -3.140 -0.046) 3.241 ======================= Grid point 136 (68/192) ======================= q-point: ( 0.11 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.682 ( 0.665 14.738 -3.870) 15.252 1.808 ( 4.035 12.832 2.323) 13.650 2.133 ( 9.324 0.930 -2.067) 9.595 2.458 ( 3.718 -4.838 -10.695) 12.313 2.915 ( 1.280 12.585 5.269) 13.703 3.172 ( -2.731 4.759 9.216) 10.726 3.392 ( -3.127 4.999 1.757) 6.153 3.677 ( -1.012 -5.978 -3.021) 6.774 4.048 ( 3.974 1.043 1.368) 4.331 4.181 ( 1.249 -5.084 -4.261) 6.750 4.264 ( 2.185 -1.144 -2.018) 3.187 4.288 ( 2.696 -3.039 0.958) 4.174 4.612 ( -11.200 1.670 -1.463) 11.418 4.783 ( -5.665 -4.620 5.592) 9.204 5.037 ( 7.447 3.092 -2.905) 8.570 5.245 ( 5.146 -3.548 -1.062) 6.340 5.545 ( -0.506 1.914 0.723) 2.107 5.684 ( -14.374 1.830 -1.045) 14.528 5.754 ( 0.040 -3.834 1.546) 4.135 5.947 ( -8.369 -5.651 2.690) 10.450 6.332 ( 12.880 2.458 -2.649) 13.377 6.434 ( 13.427 -0.561 -0.211) 13.440 18.746 ( -0.187 0.225 -0.033) 0.294 18.788 ( -0.056 -1.016 0.010) 1.017 19.194 ( -0.464 1.172 -0.250) 1.285 19.229 ( -0.169 -0.007 0.046) 0.175 41.839 ( -1.062 0.184 -0.055) 1.080 41.849 ( -0.373 0.079 -0.047) 0.384 65.994 ( 0.509 1.767 0.378) 1.878 66.251 ( 9.207 -6.334 -0.775) 11.203 ======================= Grid point 137 (69/192) ======================= q-point: ( 0.22 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.714 ( 4.198 13.285 -2.967) 14.245 1.921 ( 5.748 8.785 2.769) 10.857 2.290 ( 5.996 -0.206 -6.681) 8.980 2.544 ( 8.711 -4.934 -3.972) 10.770 2.978 ( 2.045 9.050 3.988) 10.099 3.096 ( -7.276 5.806 5.940) 11.042 3.360 ( -0.559 2.057 3.055) 3.726 3.663 ( 0.998 -6.568 -2.724) 7.180 3.966 ( -9.153 1.213 -0.180) 9.235 4.117 ( -3.020 -1.963 0.542) 3.642 4.389 ( 1.692 -0.736 1.784) 2.566 4.400 ( -0.872 0.602 -1.684) 1.990 4.507 ( 10.767 -5.663 -3.663) 12.705 4.704 ( -3.912 -6.083 4.386) 8.458 5.124 ( 1.945 2.582 -1.830) 3.715 5.285 ( -1.561 -1.483 -4.224) 4.741 5.458 ( -5.862 2.388 0.659) 6.364 5.505 ( -4.452 2.003 1.341) 5.062 5.688 ( -3.809 -3.300 -0.423) 5.057 5.891 ( -0.331 -7.404 3.959) 8.403 6.559 ( 11.125 5.572 -2.473) 12.686 6.719 ( 13.841 1.021 -0.019) 13.879 18.741 ( -0.243 0.283 -0.055) 0.377 18.787 ( -0.062 -1.049 0.033) 1.051 19.183 ( -0.520 1.352 -0.146) 1.456 19.224 ( -0.325 -0.056 0.000) 0.330 41.817 ( -0.866 0.529 -0.078) 1.018 41.843 ( -0.243 0.011 -0.058) 0.250 66.013 ( 1.038 1.427 0.303) 1.790 66.450 ( 10.095 -12.347 -1.341) 16.004 ======================= Grid point 138 (70/192) ======================= q-point: ( 0.33 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.824 ( 7.617 9.820 -1.742) 12.550 2.038 ( 4.547 4.265 0.926) 6.302 2.320 ( 0.959 1.267 -6.062) 6.267 2.698 ( 1.921 -9.679 3.679) 10.531 2.902 ( -3.259 11.396 -4.008) 12.512 3.108 ( 3.046 3.208 6.013) 7.465 3.372 ( 0.359 -0.504 1.215) 1.364 3.688 ( 2.072 -5.467 -2.560) 6.382 3.807 ( -5.893 -0.478 0.736) 5.958 4.080 ( -1.457 -3.808 3.110) 5.128 4.244 ( -6.829 0.572 -2.211) 7.200 4.477 ( 0.829 -2.977 3.383) 4.582 4.664 ( -1.275 -3.981 1.049) 4.310 4.688 ( 5.375 -4.516 -2.438) 7.431 5.100 ( -0.602 4.870 -3.374) 5.955 5.246 ( -0.630 -0.729 1.623) 1.888 5.359 ( -5.268 3.254 -0.219) 6.196 5.459 ( -0.078 -0.260 -0.858) 0.900 5.658 ( -0.040 -3.259 0.092) 3.261 5.898 ( -0.448 -7.010 1.587) 7.202 6.746 ( 8.191 8.507 -1.458) 11.899 6.957 ( 9.624 2.251 0.122) 9.885 18.737 ( -0.162 0.357 -0.031) 0.394 18.786 ( -0.064 -1.090 0.037) 1.092 19.173 ( -0.336 1.415 -0.077) 1.456 19.218 ( -0.286 -0.100 -0.036) 0.305 41.809 ( 0.138 0.590 -0.120) 0.617 41.839 ( -0.208 -0.023 -0.033) 0.211 66.029 ( 0.447 1.135 0.000) 1.220 66.613 ( 6.485 -16.724 -1.098) 17.970 ======================= Grid point 139 (71/192) ======================= q-point: ( 0.44 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.970 ( 5.430 5.538 -1.768) 7.954 2.089 ( 1.643 1.523 -1.661) 2.789 2.335 ( 3.237 2.148 -1.365) 4.118 2.563 ( -11.083 -0.407 3.810) 11.726 2.974 ( 6.773 0.622 -4.997) 8.440 3.152 ( -1.180 1.384 2.079) 2.762 3.386 ( 0.701 -1.174 1.842) 2.294 3.699 ( 0.004 1.148 -1.003) 1.525 3.746 ( -0.694 -7.929 -1.643) 8.127 4.064 ( -2.863 1.311 4.806) 5.746 4.157 ( 0.518 -5.456 -1.781) 5.762 4.470 ( -2.498 -4.980 5.161) 7.595 4.637 ( -2.088 -0.522 -1.220) 2.474 4.736 ( 2.508 -4.666 -0.962) 5.384 5.121 ( 1.939 5.246 -2.109) 5.977 5.219 ( -1.825 1.027 0.927) 2.290 5.313 ( -0.039 4.344 1.841) 4.718 5.453 ( 0.048 -0.659 -2.310) 2.403 5.661 ( 0.076 -4.542 -0.227) 4.549 5.884 ( -1.216 -6.660 -0.240) 6.774 6.860 ( 3.461 10.095 -0.643) 10.691 7.091 ( 3.553 3.017 0.297) 4.671 18.735 ( -0.023 0.397 0.022) 0.399 18.785 ( -0.039 -1.105 0.024) 1.106 19.169 ( -0.100 1.412 -0.047) 1.416 19.213 ( -0.111 -0.129 -0.056) 0.179 41.817 ( 0.589 0.413 -0.110) 0.728 41.833 ( -0.339 0.056 0.011) 0.343 66.031 ( -0.177 1.188 -0.453) 1.284 66.699 ( 2.559 -18.945 -0.420) 19.122 ======================= Grid point 140 (72/192) ======================= q-point: (-0.44 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.941 ( -4.660 5.809 -2.910) 7.996 2.137 ( -0.710 -0.469 0.842) 1.197 2.390 ( -2.058 2.507 -0.865) 3.357 2.458 ( 5.646 -1.702 0.406) 5.911 3.026 ( -0.758 0.126 -2.612) 2.723 3.080 ( -4.762 2.124 -1.560) 5.443 3.420 ( 0.974 -0.816 3.708) 3.919 3.711 ( 0.909 2.004 0.114) 2.204 3.728 ( 0.403 -7.011 -2.062) 7.319 4.057 ( 1.242 3.120 3.870) 5.124 4.202 ( 3.224 -7.196 -0.930) 7.940 4.435 ( -3.183 -4.740 4.076) 7.015 4.603 ( 0.338 0.267 -1.430) 1.494 4.790 ( 2.030 -6.665 0.786) 7.011 5.121 ( 0.614 5.207 -2.590) 5.848 5.224 ( 0.449 1.323 1.630) 2.147 5.333 ( 1.153 5.074 2.743) 5.882 5.442 ( -0.131 -0.586 -3.044) 3.103 5.654 ( -0.517 -4.971 -0.354) 5.010 5.850 ( -1.734 -6.694 -1.645) 7.108 6.875 ( -1.846 9.824 -0.108) 9.996 7.097 ( -3.136 3.175 0.527) 4.494 18.736 ( 0.105 0.398 0.063) 0.417 18.785 ( 0.012 -1.097 0.015) 1.097 19.169 ( 0.137 1.409 -0.040) 1.417 19.213 ( 0.102 -0.126 -0.069) 0.176 41.820 ( -0.414 0.321 -0.013) 0.524 41.833 ( 0.383 0.063 -0.007) 0.388 66.021 ( -0.493 1.654 -0.810) 1.907 66.714 ( -1.042 -19.503 0.136) 19.531 ======================= Grid point 141 (73/192) ======================= q-point: (-0.33 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.833 ( -4.620 7.910 -1.390) 9.265 2.033 ( -7.945 3.703 1.942) 8.978 2.392 ( 2.172 -2.115 -6.556) 7.223 2.541 ( -1.209 -6.531 -1.133) 6.738 2.983 ( 1.328 5.957 -0.622) 6.135 3.012 ( -2.125 5.126 1.551) 5.761 3.407 ( -4.587 1.280 3.636) 5.992 3.695 ( -0.590 -2.912 -0.643) 3.040 3.813 ( 7.137 1.830 1.004) 7.436 4.127 ( 3.449 0.548 3.302) 4.806 4.273 ( 4.943 -4.807 -3.069) 7.548 4.376 ( -3.406 -2.226 1.035) 4.198 4.627 ( 0.696 -2.711 0.406) 2.828 4.783 ( -3.911 -9.006 1.682) 9.962 5.178 ( 6.776 3.792 -3.103) 8.362 5.226 ( -0.585 3.220 2.467) 4.098 5.384 ( 2.447 1.711 1.403) 3.299 5.418 ( -0.658 1.139 -2.536) 2.857 5.654 ( 0.959 -4.596 0.152) 4.698 5.799 ( -2.641 -7.061 -2.348) 7.896 6.790 ( -6.505 7.791 0.158) 10.151 6.975 ( -9.142 2.712 0.854) 9.574 18.739 ( 0.186 0.377 0.062) 0.425 18.786 ( 0.065 -1.079 0.026) 1.081 19.174 ( 0.392 1.403 -0.055) 1.458 19.217 ( 0.259 -0.084 -0.080) 0.284 41.813 ( -0.124 0.438 0.027) 0.456 41.840 ( 0.261 -0.064 -0.007) 0.269 66.005 ( -0.719 2.305 -0.902) 2.577 66.652 ( -5.478 -18.246 0.359) 19.054 ======================= Grid point 142 (74/192) ======================= q-point: (-0.22 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.755 ( -2.728 10.084 -1.170) 10.512 1.892 ( -6.501 8.049 2.588) 10.665 2.326 ( -8.340 -4.013 -4.939) 10.491 2.462 ( -0.078 -4.965 -9.212) 10.465 2.958 ( -2.963 8.900 5.175) 10.713 3.121 ( 5.983 7.217 5.744) 10.994 3.299 ( -4.356 5.311 0.040) 6.869 3.697 ( 0.659 -3.029 0.225) 3.108 3.993 ( 8.818 1.763 0.922) 9.040 4.182 ( 0.297 -1.518 -0.679) 1.690 4.319 ( -1.105 0.308 1.893) 2.213 4.363 ( 3.346 -1.941 -3.425) 5.167 4.572 ( -6.103 -5.562 -2.952) 8.769 4.708 ( -1.736 -9.698 6.708) 11.919 5.214 ( -1.901 4.163 2.092) 5.032 5.341 ( -3.056 -1.169 -1.676) 3.676 5.361 ( 10.416 2.495 -4.838) 11.753 5.500 ( 6.872 0.844 1.216) 7.030 5.675 ( -0.787 -3.393 -2.616) 4.356 5.759 ( 1.998 -6.890 1.181) 7.271 6.622 ( -10.391 4.867 -0.162) 11.476 6.755 ( -12.883 1.564 1.458) 13.059 18.743 ( 0.198 0.345 0.030) 0.399 18.787 ( 0.084 -1.065 0.043) 1.069 19.184 ( 0.610 1.318 -0.104) 1.456 19.222 ( 0.292 -0.011 -0.076) 0.302 41.819 ( 0.795 0.409 0.033) 0.894 41.844 ( 0.238 -0.031 -0.028) 0.242 65.987 ( -0.712 2.709 -0.694) 2.886 66.496 ( -10.175 -14.230 0.351) 17.497 ======================= Grid point 143 (75/192) ======================= q-point: (-0.11 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.711 ( -0.947 13.474 -2.097) 13.669 1.804 ( -3.600 11.029 2.435) 11.854 2.118 ( -8.605 -0.189 -2.634) 9.001 2.446 ( 2.315 -7.075 -12.670) 14.695 2.919 ( -3.373 17.892 6.269) 19.257 3.157 ( -2.137 1.371 8.186) 8.570 3.348 ( 5.750 8.451 0.045) 10.222 3.710 ( 0.393 -4.018 -0.537) 4.073 4.026 ( -5.133 -0.729 -1.638) 5.437 4.150 ( -2.137 -4.041 -1.389) 4.778 4.324 ( -1.000 -3.078 -0.084) 3.238 4.373 ( -2.264 -1.600 0.580) 2.833 4.544 ( 9.800 1.447 -3.242) 10.424 4.786 ( 5.116 -5.806 5.572) 9.536 5.135 ( -7.624 3.293 1.228) 8.395 5.226 ( -6.043 -2.113 -1.077) 6.492 5.551 ( 8.108 -2.208 -0.976) 8.460 5.576 ( -1.282 -2.534 -3.226) 4.298 5.737 ( 11.758 1.166 0.305) 11.820 5.885 ( 8.432 -4.189 0.316) 9.420 6.370 ( -14.471 2.859 -0.907) 14.778 6.504 ( -12.485 -0.782 2.087) 12.682 18.747 ( 0.131 0.299 0.005) 0.326 18.789 ( 0.041 -1.052 0.034) 1.053 19.195 ( 0.537 1.115 -0.209) 1.255 19.227 ( 0.212 0.059 -0.023) 0.221 41.840 ( 1.007 0.126 -0.002) 1.014 41.850 ( 0.359 0.076 -0.043) 0.369 65.978 ( 0.163 2.523 -0.241) 2.539 66.279 ( -10.350 -7.561 0.307) 12.822 ======================= Grid point 144 (76/192) ======================= q-point: ( 0.00 0.45 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.922 ( -0.172 7.184 -1.663) 7.376 2.017 ( 1.242 -2.290 -0.440) 2.642 2.029 ( 1.073 12.601 -2.047) 12.811 2.264 ( 2.607 -10.358 -6.814) 12.669 3.157 ( -3.345 7.184 3.912) 8.837 3.216 ( 0.083 1.552 6.980) 7.151 3.540 ( -0.099 4.267 -1.912) 4.676 3.618 ( -1.050 -3.677 -1.986) 4.309 3.963 ( 1.682 1.474 -1.855) 2.905 4.022 ( 1.949 -4.137 -1.418) 4.788 4.238 ( -2.325 1.456 1.932) 3.355 4.294 ( -1.984 -3.023 2.360) 4.318 4.813 ( 1.637 2.525 0.244) 3.019 4.880 ( 2.416 -3.234 0.081) 4.037 4.965 ( -4.693 5.259 -0.426) 7.061 5.069 ( -0.177 -4.775 -0.926) 4.867 5.561 ( 1.454 1.128 0.547) 1.919 5.601 ( 3.163 -2.912 1.671) 4.613 5.972 ( 0.772 0.950 -0.785) 1.454 5.997 ( 4.304 -1.511 -1.026) 4.675 6.172 ( -2.852 2.892 -0.800) 4.140 6.237 ( -4.250 -3.466 0.071) 5.485 18.756 ( -0.025 0.547 -0.050) 0.550 18.770 ( -0.017 -0.822 -0.016) 0.822 19.218 ( 0.016 0.680 -0.154) 0.697 19.228 ( 0.042 -0.300 -0.042) 0.306 41.852 ( 0.003 0.136 -0.068) 0.152 41.854 ( 0.010 -0.124 -0.066) 0.140 66.033 ( 0.053 2.493 0.138) 2.498 66.089 ( -0.303 -2.960 0.015) 2.976 ======================= Grid point 145 (77/192) ======================= q-point: ( 0.11 0.45 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.918 ( 0.693 8.418 -2.024) 8.685 2.001 ( 0.575 2.886 -0.275) 2.956 2.156 ( 8.321 4.487 -1.320) 9.545 2.317 ( 5.107 -8.436 -5.264) 11.178 3.114 ( -2.029 8.222 4.499) 9.589 3.230 ( -1.662 -1.464 7.395) 7.720 3.488 ( -3.749 4.057 -2.703) 6.150 3.569 ( -2.077 -4.337 -3.802) 6.130 4.072 ( 5.378 1.170 0.317) 5.513 4.104 ( 3.286 -2.263 -2.181) 4.548 4.239 ( 4.673 0.185 1.115) 4.807 4.262 ( -0.233 -1.136 0.208) 1.178 4.648 ( -12.361 1.903 1.020) 12.549 4.700 ( -9.703 -3.341 3.967) 11.002 5.101 ( 7.184 3.266 -3.327) 8.565 5.171 ( 6.715 -3.575 -2.950) 8.160 5.589 ( 0.218 2.542 1.854) 3.154 5.653 ( -0.324 -3.690 1.965) 4.193 5.760 ( -11.795 3.397 0.046) 12.275 5.842 ( -11.321 -4.609 1.596) 12.327 6.377 ( 14.683 1.996 -2.062) 14.961 6.413 ( 14.990 -1.480 -1.388) 15.127 18.754 ( -0.135 0.581 -0.068) 0.600 18.769 ( -0.084 -0.854 -0.022) 0.859 19.214 ( -0.312 0.785 -0.137) 0.856 19.226 ( -0.223 -0.376 -0.038) 0.439 41.844 ( -0.722 0.265 -0.069) 0.773 41.848 ( -0.442 -0.165 -0.067) 0.477 66.047 ( 1.365 3.492 0.097) 3.750 66.135 ( 4.261 -5.041 -0.238) 6.605 ======================= Grid point 146 (78/192) ======================= q-point: ( 0.22 0.45 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.938 ( 2.336 8.425 -2.132) 8.999 2.032 ( 2.237 0.440 -0.008) 2.280 2.304 ( 6.214 3.196 -2.529) 7.431 2.419 ( 6.234 -6.744 -1.835) 9.365 3.127 ( 0.803 6.402 6.540) 9.186 3.198 ( -5.114 1.311 6.453) 8.337 3.402 ( -2.460 3.220 -3.598) 5.419 3.519 ( -0.592 -7.216 -5.614) 9.162 4.012 ( -7.371 2.996 0.148) 7.958 4.072 ( -4.990 -2.624 0.205) 5.642 4.372 ( 6.365 0.626 -0.100) 6.397 4.411 ( 2.373 -2.694 -1.053) 3.741 4.471 ( 0.974 3.965 2.496) 4.785 4.578 ( -2.973 -6.081 3.720) 7.724 5.178 ( 2.128 2.862 -3.153) 4.760 5.239 ( 1.102 -2.877 -4.420) 5.388 5.504 ( -7.334 2.135 -0.420) 7.650 5.533 ( -7.138 -0.073 0.997) 7.208 5.666 ( -1.227 1.810 1.305) 2.547 5.752 ( -0.293 -5.932 3.590) 6.939 6.656 ( 13.692 3.894 -1.640) 14.329 6.713 ( 14.649 -1.608 -0.873) 14.763 18.751 ( -0.167 0.649 -0.061) 0.673 18.767 ( -0.108 -0.915 -0.011) 0.922 19.206 ( -0.421 0.902 -0.102) 1.000 19.219 ( -0.363 -0.447 -0.048) 0.578 41.829 ( -0.601 0.613 -0.073) 0.862 41.839 ( -0.373 -0.391 -0.068) 0.545 66.082 ( 1.814 5.371 0.004) 5.669 66.230 ( 4.937 -9.149 -0.449) 10.405 ======================= Grid point 147 (79/192) ======================= q-point: ( 0.33 0.45 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.995 ( 4.042 6.529 -2.176) 7.981 2.076 ( 2.226 -1.100 -1.447) 2.874 2.373 ( 1.767 4.669 -0.888) 5.070 2.510 ( 1.572 -8.355 2.244) 8.793 3.094 ( -4.486 6.991 -1.518) 8.444 3.165 ( -0.292 0.698 3.841) 3.915 3.379 ( 1.038 3.139 -0.978) 3.448 3.521 ( 2.339 -9.107 -2.475) 9.723 3.868 ( -6.060 4.916 0.234) 7.806 3.979 ( -3.660 -5.606 0.311) 6.702 4.304 ( -6.121 4.555 2.808) 8.130 4.402 ( -3.090 -4.518 4.848) 7.312 4.608 ( 3.297 -0.915 -0.516) 3.460 4.624 ( 5.136 -2.129 -1.840) 5.856 5.179 ( 0.358 2.825 -2.262) 3.637 5.223 ( 0.001 -1.596 -0.249) 1.615 5.408 ( -2.994 1.882 -1.241) 3.748 5.442 ( -1.580 -1.276 -1.075) 2.297 5.659 ( -0.545 3.070 0.809) 3.221 5.760 ( -0.385 -6.276 1.587) 6.485 6.890 ( 9.881 5.465 -0.864) 11.325 6.964 ( 10.314 -1.664 -0.385) 10.455 18.748 ( -0.114 0.706 -0.028) 0.716 18.765 ( -0.087 -0.963 0.002) 0.967 19.198 ( -0.320 0.949 -0.076) 1.005 19.212 ( -0.308 -0.481 -0.059) 0.575 41.823 ( 0.016 0.682 -0.084) 0.688 41.834 ( -0.121 -0.428 -0.061) 0.449 66.111 ( 1.051 6.982 -0.081) 7.061 66.312 ( 3.219 -12.572 -0.403) 12.984 ======================= Grid point 148 (80/192) ======================= q-point: ( 0.44 0.45 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.064 ( 2.701 3.291 -2.311) 4.844 2.100 ( 1.231 -0.450 -2.361) 2.700 2.386 ( 0.120 3.478 1.189) 3.678 2.483 ( -4.677 -5.574 3.844) 8.229 3.052 ( 1.384 5.383 -5.761) 8.005 3.145 ( -1.266 -2.882 -2.825) 4.229 3.414 ( 1.299 4.620 2.473) 5.399 3.556 ( 1.004 -8.537 -0.347) 8.603 3.797 ( -0.900 6.400 0.523) 6.484 3.951 ( 0.501 -8.162 1.620) 8.336 4.213 ( -3.818 6.425 3.061) 8.076 4.350 ( -3.499 -6.630 4.976) 8.998 4.638 ( 0.106 0.729 -0.670) 0.996 4.668 ( 1.245 -2.239 -0.991) 2.747 5.205 ( 2.007 2.647 -0.644) 3.384 5.231 ( 0.100 0.005 0.920) 0.925 5.376 ( 0.201 2.176 -0.741) 2.307 5.421 ( -0.118 -2.112 -2.584) 3.340 5.646 ( -0.811 2.941 -0.347) 3.070 5.749 ( -1.014 -6.323 -0.099) 6.405 7.027 ( 3.889 6.167 -0.301) 7.297 7.107 ( 3.911 -1.561 -0.014) 4.210 18.746 ( -0.017 0.720 0.013) 0.720 18.764 ( -0.030 -0.971 0.012) 0.971 19.193 ( -0.107 0.948 -0.063) 0.956 19.207 ( -0.114 -0.487 -0.066) 0.504 41.826 ( 0.277 0.409 -0.080) 0.501 41.832 ( -0.094 -0.182 -0.042) 0.209 66.123 ( 0.252 8.005 -0.160) 8.010 66.354 ( 1.209 -14.487 -0.172) 14.538 ======================= Grid point 149 (81/192) ======================= q-point: (-0.44 0.45 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.043 ( -2.691 4.159 -2.868) 5.724 2.108 ( -1.077 -2.245 -1.485) 2.899 2.406 ( -0.240 -0.235 0.580) 0.671 2.416 ( -0.416 -1.478 1.051) 1.860 3.058 ( 0.645 2.656 -3.992) 4.838 3.103 ( -1.360 -0.811 -3.410) 3.759 3.447 ( 1.249 3.976 2.385) 4.802 3.567 ( 0.976 -7.205 -0.510) 7.289 3.828 ( 2.904 7.497 1.901) 8.262 3.996 ( 2.548 -8.270 2.863) 9.115 4.193 ( 0.806 5.457 2.213) 5.944 4.319 ( -1.416 -6.350 4.312) 7.805 4.625 ( -0.784 1.950 -0.916) 2.292 4.684 ( 0.134 -3.898 -0.332) 3.914 5.216 ( 0.269 3.431 -1.673) 3.826 5.244 ( 0.566 0.369 1.679) 1.810 5.394 ( 0.836 0.989 0.788) 1.516 5.415 ( 0.657 -1.637 -2.311) 2.908 5.626 ( -0.849 2.414 -1.301) 2.871 5.719 ( -1.607 -5.942 -1.490) 6.333 7.038 ( -2.792 6.025 0.086) 6.641 7.115 ( -3.147 -1.470 0.295) 3.486 18.747 ( 0.080 0.694 0.043) 0.700 18.764 ( 0.041 -0.943 0.019) 0.944 19.193 ( 0.137 0.938 -0.061) 0.950 19.207 ( 0.124 -0.476 -0.073) 0.497 41.827 ( -0.191 0.339 -0.041) 0.391 41.832 ( 0.141 -0.137 -0.044) 0.202 66.122 ( -0.311 8.366 -0.212) 8.374 66.360 ( -0.622 -14.862 0.047) 14.875 ======================= Grid point 150 (82/192) ======================= q-point: (-0.33 0.45 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.967 ( -3.089 5.356 -2.694) 6.744 2.047 ( -3.536 -2.078 -1.456) 4.353 2.373 ( -1.835 0.748 -3.037) 3.627 2.426 ( -1.442 -4.325 -1.443) 4.782 3.061 ( 0.846 3.200 0.559) 3.357 3.096 ( 2.135 0.745 0.427) 2.302 3.472 ( 0.045 5.236 1.276) 5.390 3.595 ( 1.641 -6.043 -0.492) 6.281 3.922 ( 5.734 7.280 2.693) 9.650 4.068 ( 3.362 -6.217 3.016) 7.685 4.252 ( 4.483 2.518 -0.078) 5.142 4.322 ( 0.156 -3.411 2.811) 4.422 4.589 ( -3.167 -0.140 -0.399) 3.195 4.638 ( -5.287 -4.825 -0.741) 7.196 5.248 ( 4.192 2.878 -2.504) 5.668 5.275 ( 2.383 0.819 1.648) 3.011 5.398 ( -0.058 1.031 -1.456) 1.785 5.431 ( 0.865 -1.113 1.705) 2.212 5.608 ( 0.068 0.770 -1.448) 1.642 5.673 ( -2.132 -5.021 -2.383) 5.952 6.922 ( -8.630 5.040 0.358) 10.001 6.989 ( -9.441 -1.359 0.588) 9.556 18.749 ( 0.147 0.647 0.045) 0.665 18.765 ( 0.099 -0.898 0.023) 0.904 19.198 ( 0.356 0.916 -0.071) 0.985 19.211 ( 0.314 -0.445 -0.081) 0.550 41.824 ( 0.004 0.601 -0.023) 0.601 41.835 ( 0.159 -0.403 -0.041) 0.435 66.108 ( -1.052 7.886 -0.210) 7.958 66.327 ( -2.867 -13.533 0.154) 13.835 ======================= Grid point 151 (83/192) ======================= q-point: (-0.22 0.45 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.918 ( -0.520 5.940 -2.626) 6.515 1.984 ( -1.882 0.319 -0.779) 2.062 2.281 ( -6.074 0.777 -4.193) 7.421 2.352 ( -3.580 -5.195 -4.833) 7.947 3.101 ( 1.899 5.464 5.268) 7.824 3.174 ( 2.801 -1.180 5.211) 6.032 3.467 ( 0.562 8.911 -1.811) 9.110 3.617 ( 0.803 -5.463 -0.838) 5.585 4.051 ( 4.125 3.601 1.885) 5.791 4.125 ( 0.345 -3.517 1.331) 3.776 4.351 ( 1.832 2.898 -3.516) 4.911 4.375 ( 7.188 2.051 0.991) 7.540 4.469 ( -8.962 -3.661 -1.554) 9.805 4.524 ( -1.426 -7.618 5.883) 9.730 5.288 ( -1.739 2.677 -0.309) 3.207 5.320 ( -1.701 -0.877 -2.718) 3.324 5.419 ( 5.378 3.246 -2.239) 6.669 5.486 ( 4.445 -2.470 0.714) 5.135 5.630 ( 1.358 -0.818 -1.407) 2.120 5.651 ( 3.948 -3.203 0.584) 5.117 6.708 ( -12.780 3.460 0.354) 13.245 6.757 ( -13.660 -1.252 0.861) 13.744 18.753 ( 0.157 0.597 0.019) 0.618 18.768 ( 0.113 -0.856 0.020) 0.863 19.206 ( 0.471 0.839 -0.093) 0.967 19.218 ( 0.374 -0.380 -0.085) 0.539 41.830 ( 0.588 0.556 -0.027) 0.810 41.840 ( 0.384 -0.380 -0.049) 0.542 66.078 ( -1.748 6.363 -0.136) 6.600 66.247 ( -5.007 -10.236 0.179) 11.397 ======================= Grid point 152 (84/192) ======================= q-point: (-0.11 0.45 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.921 ( 1.327 6.728 -2.524) 7.307 1.969 ( 0.554 3.549 0.142) 3.595 2.128 ( -6.627 3.413 -2.936) 8.011 2.275 ( -1.055 -8.835 -6.918) 11.271 3.165 ( 1.475 5.869 7.019) 9.268 3.201 ( -1.960 1.907 5.200) 5.876 3.507 ( 3.536 6.853 -2.096) 7.991 3.625 ( 0.529 -4.674 -1.301) 4.881 4.029 ( -5.197 1.092 -1.816) 5.612 4.073 ( -4.562 -3.176 -1.306) 5.710 4.290 ( -3.910 0.565 1.370) 4.182 4.331 ( -3.554 -2.496 1.354) 4.549 4.600 ( 13.793 3.353 -0.002) 14.195 4.678 ( 10.865 -4.562 3.391) 12.262 5.179 ( -8.960 1.070 -0.327) 9.030 5.194 ( -8.171 -0.953 -1.635) 8.387 5.522 ( 4.577 -0.174 -1.992) 4.995 5.538 ( 1.472 -1.453 -0.971) 2.284 5.764 ( 11.489 1.636 -0.014) 11.605 5.810 ( 10.520 -3.015 0.198) 10.945 6.426 ( -15.192 2.609 -0.014) 15.414 6.474 ( -14.563 -2.004 0.947) 14.731 18.755 ( 0.094 0.559 -0.018) 0.567 18.770 ( 0.066 -0.827 0.004) 0.830 19.214 ( 0.362 0.716 -0.128) 0.813 19.225 ( 0.270 -0.303 -0.069) 0.412 41.844 ( 0.717 0.237 -0.049) 0.757 41.849 ( 0.453 -0.156 -0.061) 0.483 66.045 ( -1.301 4.113 0.005) 4.313 66.145 ( -4.689 -5.733 0.164) 7.408 ======================= Grid point 198 (85/192) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.718 ( 2.324 0.000 17.587) 17.740 0.885 ( 2.873 0.000 21.995) 22.182 1.344 ( -6.580 0.000 32.485) 33.144 1.690 ( 1.492 0.000 -8.007) 8.145 1.862 ( -1.595 0.000 -10.224) 10.347 2.972 ( 1.961 0.000 -18.797) 18.899 3.721 ( 11.344 0.000 1.247) 11.412 3.935 ( 0.426 0.000 0.297) 0.519 3.986 ( -0.173 0.000 -6.762) 6.764 4.323 ( -1.406 0.000 -0.165) 1.416 4.458 ( 0.363 0.000 -3.141) 3.162 4.545 ( 4.701 0.000 2.356) 5.258 4.712 ( 0.102 0.000 7.830) 7.830 4.808 ( -2.621 0.000 -0.487) 2.666 4.933 ( -9.719 0.000 -0.056) 9.719 5.286 ( -0.002 0.000 -1.850) 1.850 5.401 ( -1.969 0.000 4.720) 5.114 5.802 ( -0.488 0.000 -5.246) 5.268 5.921 ( -0.395 0.000 -0.336) 0.518 6.065 ( 0.289 0.000 0.437) 0.524 6.091 ( -4.186 0.000 5.216) 6.688 6.701 ( 2.166 0.000 -1.791) 2.810 18.814 ( 0.827 0.000 -0.077) 0.831 18.859 ( 0.022 0.000 0.016) 0.027 19.062 ( 0.003 0.000 0.110) 0.110 19.204 ( -0.027 0.000 -0.098) 0.101 41.838 ( 0.017 0.000 0.050) 0.052 41.869 ( -0.189 0.000 0.134) 0.232 65.938 ( 1.871 0.000 0.710) 2.001 66.344 ( -13.033 0.000 -0.472) 13.042 ======================= Grid point 199 (86/192) ======================= q-point: ( 0.11 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.036 ( 14.546 0.000 16.865) 22.271 1.124 ( 11.333 0.000 18.610) 21.789 1.490 ( 11.945 0.000 18.218) 21.785 1.813 ( 1.194 0.000 -10.946) 11.010 1.928 ( 21.992 0.000 -1.863) 22.070 2.933 ( 2.326 0.000 -17.368) 17.523 3.939 ( -1.839 0.000 -6.030) 6.304 3.941 ( -0.193 0.000 -6.762) 6.764 3.951 ( 0.903 0.000 0.164) 0.918 4.046 ( -7.297 0.000 3.477) 8.083 4.433 ( 4.396 0.000 -2.322) 4.971 4.737 ( -0.592 0.000 6.993) 7.018 4.767 ( 4.888 0.000 3.544) 6.037 4.797 ( 1.372 0.000 0.949) 1.668 4.890 ( 1.155 0.000 1.998) 2.307 5.249 ( -2.914 0.000 -1.802) 3.426 5.473 ( 2.503 0.000 3.635) 4.413 5.710 ( -2.391 0.000 -3.703) 4.408 5.891 ( -1.975 0.000 -0.206) 1.986 6.079 ( 0.029 0.000 2.480) 2.480 6.103 ( 2.794 0.000 0.247) 2.805 6.701 ( -0.799 0.000 -1.305) 1.530 18.797 ( -1.694 0.000 0.035) 1.694 18.862 ( 0.005 0.000 0.123) 0.123 19.063 ( -0.030 0.000 0.098) 0.102 19.203 ( 0.022 0.000 -0.074) 0.077 41.830 ( -0.881 0.000 -0.047) 0.882 41.845 ( -1.652 0.000 0.166) 1.661 66.016 ( 7.338 0.000 -1.769) 7.548 66.677 ( 32.903 0.000 -7.054) 33.651 ======================= Grid point 200 (87/192) ======================= q-point: ( 0.22 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( 9.356 0.000 18.944) 21.129 1.443 ( 13.206 0.000 13.636) 18.982 1.817 ( 3.179 0.000 -9.531) 10.047 1.871 ( 17.271 0.000 -1.746) 17.359 2.425 ( 25.027 0.000 1.568) 25.076 2.976 ( 9.495 0.000 -9.015) 13.093 3.686 ( -10.081 0.000 -3.853) 10.792 3.861 ( -3.289 0.000 -5.509) 6.416 3.977 ( 1.453 0.000 0.257) 1.476 4.121 ( 2.073 0.000 -4.007) 4.512 4.555 ( 7.640 0.000 -1.703) 7.828 4.747 ( -1.043 0.000 5.609) 5.705 4.815 ( -2.351 0.000 7.088) 7.468 4.874 ( 6.369 0.000 4.236) 7.649 4.917 ( 1.029 0.000 0.667) 1.226 5.164 ( -4.604 0.000 -1.351) 4.798 5.377 ( -9.082 0.000 0.691) 9.108 5.723 ( -0.749 0.000 -1.631) 1.795 5.854 ( -1.521 0.000 -0.226) 1.538 6.111 ( 3.283 0.000 -0.358) 3.302 6.161 ( 2.750 0.000 0.105) 2.752 6.675 ( -1.243 0.000 -0.630) 1.393 18.765 ( -1.398 0.000 0.101) 1.402 18.860 ( -0.145 0.000 0.224) 0.267 19.062 ( -0.056 0.000 0.075) 0.093 19.204 ( 0.065 0.000 -0.031) 0.072 41.808 ( -0.718 0.000 -0.301) 0.779 41.827 ( -0.412 0.000 0.119) 0.429 66.157 ( 6.846 0.000 -3.377) 7.634 67.262 ( 26.271 0.000 -7.511) 27.323 ======================= Grid point 201 (88/192) ======================= q-point: ( 0.33 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( 10.815 0.000 12.456) 16.496 1.736 ( 11.067 0.000 9.044) 14.292 1.843 ( 2.085 0.000 -6.710) 7.026 2.017 ( 0.699 0.000 -11.031) 11.053 2.890 ( 20.438 0.000 4.814) 20.997 3.219 ( 11.832 0.000 -0.470) 11.842 3.562 ( 0.401 0.000 -6.436) 6.448 3.776 ( -2.734 0.000 -4.764) 5.493 4.011 ( 1.864 0.000 0.476) 1.924 4.104 ( -0.485 0.000 -5.114) 5.137 4.668 ( 1.460 0.000 4.282) 4.525 4.734 ( -2.419 0.000 3.063) 3.902 4.799 ( -0.062 0.000 2.290) 2.291 4.935 ( 1.517 0.000 1.012) 1.824 5.025 ( 4.888 0.000 4.096) 6.377 5.073 ( -3.634 0.000 0.033) 3.634 5.218 ( -5.355 0.000 -0.536) 5.382 5.612 ( -8.264 0.000 -0.842) 8.307 5.830 ( -0.767 0.000 -0.304) 0.825 6.186 ( 3.373 0.000 -0.285) 3.385 6.207 ( 1.812 0.000 0.017) 1.812 6.644 ( -1.786 0.000 -0.447) 1.841 18.744 ( -0.751 0.000 0.021) 0.751 18.859 ( -0.111 0.000 0.212) 0.239 19.061 ( -0.061 0.000 0.054) 0.082 19.205 ( 0.079 0.000 0.008) 0.080 41.805 ( 0.409 0.000 -0.334) 0.528 41.825 ( 0.152 0.000 0.233) 0.278 66.243 ( 3.318 0.000 -4.511) 5.600 67.645 ( 14.792 0.000 -2.607) 15.020 ======================= Grid point 202 (89/192) ======================= q-point: ( 0.44 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.751 ( -4.278 0.000 -2.067) 4.751 1.811 ( -3.817 0.000 -1.788) 4.215 1.952 ( 7.550 0.000 3.518) 8.329 2.002 ( 8.461 0.000 -1.618) 8.614 3.236 ( 10.162 0.000 5.669) 11.637 3.323 ( 1.782 0.000 -2.578) 3.134 3.582 ( -1.485 0.000 -2.791) 3.162 3.728 ( 0.062 0.000 -4.039) 4.039 4.057 ( 2.572 0.000 0.420) 2.607 4.093 ( 1.470 0.000 -4.781) 5.002 4.668 ( -4.808 0.000 1.006) 4.912 4.684 ( 0.083 0.000 5.619) 5.620 4.791 ( -2.865 0.000 3.562) 4.571 4.933 ( -3.623 0.000 -1.060) 3.775 5.037 ( -0.204 0.000 1.425) 1.439 5.062 ( -0.992 0.000 -1.202) 1.559 5.240 ( 5.006 0.000 1.770) 5.309 5.496 ( 1.252 0.000 -0.526) 1.358 5.820 ( -0.048 0.000 -0.375) 0.378 6.224 ( 0.392 0.000 0.094) 0.403 6.231 ( 0.556 0.000 -0.016) 0.556 6.597 ( -2.854 0.000 -0.126) 2.857 18.734 ( -0.282 0.000 0.005) 0.282 18.858 ( -0.036 0.000 0.186) 0.190 19.060 ( -0.046 0.000 0.045) 0.064 19.207 ( 0.059 0.000 0.027) 0.065 41.813 ( 0.346 0.000 -0.108) 0.362 41.835 ( 0.701 0.000 0.138) 0.714 66.252 ( -0.397 0.000 -4.757) 4.774 67.854 ( 7.361 0.000 -0.583) 7.384 ======================= Grid point 203 (90/192) ======================= q-point: (-0.44 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.539 ( -12.962 0.000 0.747) 12.984 1.660 ( -11.096 0.000 1.244) 11.165 2.068 ( 3.249 0.000 0.803) 3.347 2.239 ( 12.957 0.000 -5.715) 14.161 3.257 ( -10.808 0.000 6.090) 12.406 3.338 ( -4.359 0.000 2.219) 4.891 3.434 ( -6.668 0.000 -5.401) 8.581 3.746 ( 3.094 0.000 -3.549) 4.708 4.106 ( 1.821 0.000 -5.042) 5.361 4.108 ( 2.313 0.000 -1.530) 2.773 4.576 ( -4.359 0.000 2.947) 5.262 4.665 ( -6.878 0.000 4.003) 7.958 4.789 ( -0.361 0.000 3.224) 3.244 4.829 ( -0.249 0.000 2.220) 2.234 5.022 ( -2.436 0.000 -0.360) 2.462 5.067 ( 2.352 0.000 0.947) 2.535 5.306 ( 2.876 0.000 0.117) 2.878 5.707 ( 16.172 0.000 -2.826) 16.417 5.824 ( 0.604 0.000 -0.416) 0.733 6.203 ( -2.494 0.000 0.255) 2.507 6.229 ( -0.778 0.000 0.009) 0.778 6.533 ( -3.627 0.000 0.981) 3.758 18.732 ( -0.000 0.000 0.038) 0.038 18.859 ( 0.049 0.000 0.175) 0.181 19.060 ( -0.018 0.000 0.050) 0.053 19.208 ( 0.016 0.000 0.017) 0.023 41.817 ( 0.165 0.000 -0.025) 0.167 41.848 ( 0.532 0.000 -0.172) 0.560 66.194 ( -3.495 0.000 -3.900) 5.237 67.949 ( 2.911 0.000 -1.955) 3.507 ======================= Grid point 204 (91/192) ======================= q-point: (-0.33 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.293 ( -13.260 0.000 9.081) 16.071 1.396 ( -16.120 0.000 5.095) 16.906 2.092 ( -0.547 0.000 -1.718) 1.803 2.380 ( 1.092 0.000 -10.431) 10.488 2.847 ( -27.942 0.000 7.256) 28.869 3.142 ( -12.973 0.000 2.280) 13.172 3.403 ( 2.792 0.000 -6.092) 6.701 3.810 ( 4.326 0.000 -3.081) 5.311 4.114 ( -0.526 0.000 -5.269) 5.295 4.140 ( 3.837 0.000 -4.960) 6.271 4.494 ( -10.496 0.000 4.983) 11.618 4.548 ( -0.449 0.000 7.438) 7.451 4.765 ( -0.821 0.000 2.792) 2.910 4.867 ( -2.700 0.000 1.605) 3.141 5.074 ( 9.028 0.000 3.287) 9.608 5.130 ( 3.647 0.000 -0.248) 3.656 5.360 ( 1.970 0.000 -1.550) 2.507 5.841 ( 1.190 0.000 -0.417) 1.261 5.972 ( 7.637 0.000 -5.203) 9.240 6.153 ( 0.714 0.000 -1.679) 1.825 6.201 ( -2.025 0.000 0.091) 2.027 6.474 ( -2.819 0.000 4.105) 4.980 18.734 ( 0.239 0.000 0.171) 0.294 18.861 ( 0.095 0.000 0.175) 0.199 19.060 ( 0.010 0.000 0.067) 0.067 19.208 ( -0.031 0.000 -0.015) 0.034 41.822 ( 0.423 0.000 -0.095) 0.433 41.851 ( -0.039 0.000 -0.644) 0.646 66.090 ( -5.331 0.000 -2.390) 5.842 67.945 ( -2.059 0.000 -7.211) 7.499 ======================= Grid point 205 (92/192) ======================= q-point: (-0.22 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( -12.502 0.000 15.958) 20.272 1.092 ( -16.681 0.000 10.899) 19.926 2.038 ( -31.664 0.000 9.657) 33.104 2.041 ( -2.912 0.000 -4.647) 5.484 2.365 ( -21.301 0.000 -6.305) 22.215 2.991 ( -0.411 0.000 -6.954) 6.966 3.457 ( 4.149 0.000 -1.493) 4.410 3.880 ( 3.498 0.000 -2.146) 4.104 4.061 ( -1.644 0.000 -6.592) 6.794 4.175 ( -0.702 0.000 -3.921) 3.984 4.371 ( -0.943 0.000 4.694) 4.787 4.600 ( 1.623 0.000 9.014) 9.159 4.704 ( -7.059 0.000 3.693) 7.967 4.849 ( 0.450 0.000 2.318) 2.361 5.204 ( 3.889 0.000 -1.190) 4.067 5.309 ( 11.330 0.000 2.051) 11.515 5.348 ( -2.047 0.000 -2.981) 3.617 5.868 ( 1.719 0.000 -0.390) 1.762 5.903 ( -7.776 0.000 -2.358) 8.125 6.151 ( -2.924 0.000 0.220) 2.932 6.237 ( 4.125 0.000 -9.431) 10.294 6.490 ( 2.851 0.000 7.779) 8.285 18.745 ( 0.717 0.000 0.579) 0.922 18.863 ( 0.029 0.000 0.159) 0.162 19.061 ( 0.028 0.000 0.088) 0.093 19.206 ( -0.060 0.000 -0.058) 0.083 41.834 ( 0.599 0.000 0.052) 0.601 41.844 ( -0.082 0.000 -1.097) 1.100 65.976 ( -4.907 0.000 -0.991) 5.006 67.756 ( -13.937 0.000 -17.992) 22.758 ======================= Grid point 206 (93/192) ======================= q-point: (-0.11 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.872 ( -10.043 0.000 18.586) 21.126 0.876 ( -17.003 0.000 15.963) 23.322 1.501 ( -24.080 0.000 26.720) 35.969 1.920 ( -18.169 0.000 -8.541) 20.077 1.951 ( -3.259 0.000 -7.792) 8.446 2.990 ( 3.415 0.000 -15.698) 16.065 3.555 ( 5.074 0.000 4.355) 6.686 3.923 ( 1.248 0.000 -0.491) 1.341 4.014 ( -0.176 0.000 -7.010) 7.012 4.164 ( 4.646 0.000 0.384) 4.662 4.445 ( 3.395 0.000 -1.166) 3.590 4.568 ( -6.195 0.000 6.014) 8.634 4.666 ( 1.119 0.000 8.587) 8.660 4.855 ( -1.207 0.000 1.562) 1.974 5.211 ( -9.182 0.000 -9.120) 12.942 5.265 ( 2.646 0.000 -1.675) 3.131 5.475 ( -0.755 0.000 3.065) 3.156 5.772 ( -0.280 0.000 -3.215) 3.227 5.903 ( 1.808 0.000 -0.373) 1.846 6.093 ( -2.769 0.000 0.380) 2.795 6.196 ( -4.585 0.000 -3.072) 5.519 6.614 ( 5.966 0.000 2.181) 6.352 18.773 ( 1.950 0.000 1.010) 2.196 18.862 ( -0.190 0.000 0.079) 0.205 19.062 ( 0.026 0.000 0.106) 0.109 19.205 ( -0.059 0.000 -0.091) 0.108 41.834 ( 0.086 0.000 -0.200) 0.218 41.856 ( 1.006 0.000 -0.111) 1.013 65.909 ( -1.006 0.000 0.017) 1.006 67.135 ( -40.558 0.000 -24.219) 47.239 ======================= Grid point 207 (94/192) ======================= q-point: ( 0.00 0.09 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.796 ( 1.255 7.020 16.175) 17.677 0.939 ( -2.637 8.190 19.269) 21.103 1.574 ( -2.839 16.491 17.338) 24.096 1.742 ( 2.478 7.135 -0.314) 7.560 1.974 ( -1.456 9.758 -10.930) 14.724 2.964 ( 1.853 -0.198 -15.914) 16.023 3.645 ( 8.639 -5.582 2.784) 10.656 3.967 ( -0.894 1.194 -0.185) 1.503 3.990 ( -0.176 -0.039 -4.688) 4.692 4.355 ( -2.251 0.386 -0.136) 2.288 4.431 ( 2.126 -6.644 2.524) 7.418 4.476 ( 9.196 -1.516 0.399) 9.329 4.583 ( -8.773 -0.806 0.016) 8.810 4.767 ( -3.459 -4.499 -1.972) 6.007 5.106 ( -5.189 3.259 0.056) 6.127 5.253 ( 3.981 2.821 -1.822) 5.208 5.479 ( -3.463 4.339 4.435) 7.105 5.817 ( 0.610 1.449 -4.737) 4.991 5.917 ( -1.838 -0.267 0.244) 1.873 6.062 ( 1.046 -0.288 0.318) 1.130 6.077 ( -2.167 -1.390 2.830) 3.826 6.635 ( 1.374 -5.308 1.355) 5.648 18.793 ( 0.603 -1.558 0.608) 1.778 18.850 ( -0.180 -0.729 -0.010) 0.751 19.090 ( 0.104 2.077 -0.656) 2.180 19.209 ( 0.044 0.469 -0.073) 0.477 41.839 ( -0.010 0.081 0.043) 0.092 41.868 ( -0.157 -0.127 0.116) 0.233 65.941 ( 1.792 0.236 0.688) 1.934 66.322 ( -9.440 -1.926 -0.106) 9.635 ======================= Grid point 208 (95/192) ======================= q-point: ( 0.11 0.09 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.032 ( 7.728 -2.728 21.219) 22.746 1.130 ( 16.130 8.008 12.914) 22.160 1.696 ( 10.288 12.416 3.711) 16.546 1.926 ( 1.327 10.891 -8.584) 13.930 1.995 ( 19.555 7.971 4.749) 21.645 2.933 ( 2.121 0.368 -15.056) 15.209 3.762 ( -2.337 -8.770 -1.349) 9.176 3.950 ( -1.824 -0.031 -3.768) 4.187 4.029 ( 7.013 0.905 0.722) 7.108 4.130 ( -11.986 6.746 -2.323) 13.949 4.423 ( 3.166 -3.012 0.844) 4.450 4.484 ( 2.164 -10.328 4.837) 11.608 4.737 ( 1.450 -5.688 -1.878) 6.163 4.825 ( 10.228 1.962 -0.689) 10.437 5.029 ( -3.848 4.435 3.052) 6.618 5.285 ( -0.601 4.333 -0.915) 4.469 5.479 ( -0.907 0.299 4.561) 4.660 5.673 ( -8.269 -2.600 -1.549) 8.806 5.915 ( 2.170 0.775 -1.606) 2.809 6.078 ( -0.437 1.256 1.103) 1.728 6.126 ( 3.990 1.212 -0.615) 4.216 6.653 ( 0.345 -4.154 0.720) 4.230 18.785 ( -1.239 -1.053 0.266) 1.647 18.850 ( 0.079 -0.898 0.157) 0.915 19.084 ( -0.345 1.761 -0.272) 1.815 19.209 ( -0.047 0.473 -0.074) 0.481 41.832 ( -0.774 0.214 -0.016) 0.803 41.843 ( -1.726 -0.145 0.165) 1.740 66.005 ( 6.177 -0.968 -1.419) 6.411 66.621 ( 29.281 -4.897 -4.561) 30.036 ======================= Grid point 209 (96/192) ======================= q-point: ( 0.22 0.09 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.287 ( 10.021 -2.108 18.192) 20.877 1.508 ( 14.841 5.276 11.228) 19.343 1.880 ( 6.155 5.396 -11.499) 14.115 2.004 ( 9.016 11.203 -2.705) 14.633 2.472 ( 23.722 4.968 3.990) 24.562 2.975 ( 8.779 0.097 -8.049) 11.910 3.612 ( -8.119 -5.177 -1.489) 9.744 3.901 ( -2.052 0.354 -2.793) 3.484 3.973 ( -2.892 1.146 -2.047) 3.724 4.132 ( 1.323 1.302 -4.717) 5.069 4.513 ( 3.467 -6.380 5.511) 9.116 4.588 ( 6.395 -5.947 1.749) 8.906 4.808 ( 4.478 -4.947 -2.524) 7.134 4.915 ( 0.136 2.217 3.524) 4.166 4.971 ( -2.218 4.761 2.606) 5.864 5.241 ( -3.909 6.174 1.857) 7.540 5.363 ( -8.717 -1.695 0.011) 8.880 5.582 ( -3.587 -7.535 0.908) 8.395 5.995 ( 5.215 4.430 -2.262) 7.207 6.059 ( -0.925 0.033 0.294) 0.971 6.184 ( 2.024 0.538 -1.106) 2.369 6.668 ( 0.936 -0.449 0.518) 1.161 18.760 ( -1.178 -0.486 0.119) 1.280 18.851 ( -0.048 -0.796 0.215) 0.826 19.077 ( -0.242 1.367 -0.022) 1.388 19.208 ( -0.028 0.331 -0.036) 0.334 41.807 ( -0.905 -0.056 -0.194) 0.928 41.827 ( -0.306 0.105 0.117) 0.344 66.128 ( 6.145 -2.586 -3.022) 7.320 67.171 ( 25.166 -8.412 -5.654) 27.131 ======================= Grid point 210 (97/192) ======================= q-point: ( 0.33 0.09 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.570 ( 11.677 -1.401 11.647) 16.552 1.799 ( 10.071 4.610 8.029) 13.680 1.924 ( 3.292 6.465 -8.268) 11.000 2.068 ( -0.988 5.857 -8.969) 10.757 2.911 ( 18.410 1.921 4.281) 18.998 3.209 ( 12.294 -1.238 -0.285) 12.359 3.500 ( -1.537 -4.135 -3.465) 5.610 3.837 ( -2.013 3.859 -4.779) 6.464 3.957 ( 0.898 -4.228 0.083) 4.323 4.103 ( -0.956 -0.479 -5.006) 5.119 4.586 ( 1.305 -6.226 6.129) 8.833 4.718 ( 4.248 -2.523 1.142) 5.071 4.770 ( -4.030 -4.633 -0.493) 6.160 4.916 ( -1.920 2.337 1.020) 3.191 5.026 ( 4.735 0.831 3.447) 5.916 5.165 ( -3.194 3.505 1.575) 4.997 5.221 ( -5.072 0.830 -1.377) 5.321 5.482 ( -6.329 -6.808 1.386) 9.398 6.003 ( -1.107 11.402 -1.296) 11.529 6.113 ( 3.566 -5.483 -0.352) 6.550 6.202 ( 0.406 -1.371 -0.676) 1.582 6.688 ( 0.687 4.001 0.320) 4.072 18.742 ( -0.656 -0.221 0.029) 0.693 18.851 ( -0.078 -0.718 0.193) 0.748 19.074 ( -0.129 1.165 0.029) 1.173 19.207 ( 0.015 0.188 -0.003) 0.189 41.802 ( 0.344 -0.238 -0.251) 0.487 41.826 ( 0.132 0.157 0.209) 0.292 66.206 ( 2.974 -3.433 -4.080) 6.105 67.547 ( 14.509 -9.303 -2.113) 17.364 ======================= Grid point 211 (98/192) ======================= q-point: ( 0.44 0.09 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.742 ( -2.119 0.194 -1.407) 2.551 1.916 ( -2.841 8.405 0.268) 8.876 1.975 ( 6.401 2.205 -0.731) 6.809 2.047 ( 6.996 4.484 -0.205) 8.312 3.215 ( 9.286 -2.031 4.562) 10.544 3.329 ( 0.722 0.184 -0.243) 0.784 3.495 ( -0.316 -5.669 -2.903) 6.377 3.797 ( -0.717 4.119 -4.287) 5.988 3.995 ( 2.655 -4.889 0.506) 5.586 4.081 ( 0.838 -1.810 -4.056) 4.520 4.581 ( -4.662 -5.480 0.272) 7.200 4.687 ( -0.376 -1.698 2.775) 3.275 4.789 ( -1.281 -3.751 5.742) 6.977 4.892 ( 0.302 1.643 0.222) 1.685 5.078 ( -1.729 -0.095 -0.290) 1.756 5.095 ( -5.100 4.322 -1.295) 6.809 5.218 ( 6.308 -3.107 -0.032) 7.032 5.406 ( 0.010 -3.922 2.679) 4.750 5.994 ( 1.075 12.563 -1.325) 12.678 6.145 ( -0.177 -7.006 -0.578) 7.032 6.203 ( -0.140 -1.619 0.065) 1.626 6.688 ( -1.031 7.409 0.442) 7.493 18.733 ( -0.240 -0.100 0.017) 0.261 18.850 ( -0.034 -0.706 0.164) 0.725 19.072 ( -0.057 1.101 0.036) 1.103 19.208 ( 0.031 0.100 0.013) 0.106 41.811 ( 0.451 -0.153 -0.086) 0.484 41.833 ( 0.496 -0.086 0.133) 0.520 66.213 ( -0.390 -3.596 -4.319) 5.633 67.751 ( 7.014 -9.814 -0.511) 12.073 ======================= Grid point 212 (99/192) ======================= q-point: (-0.44 0.09 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.569 ( -11.380 2.996 0.428) 11.776 1.754 ( -11.182 8.619 1.208) 14.170 2.139 ( 4.142 6.557 1.025) 7.823 2.230 ( 12.376 -0.897 -5.664) 13.640 3.238 ( -12.808 -2.267 6.525) 14.552 3.292 ( -4.327 -4.263 1.715) 6.312 3.433 ( -1.822 0.446 -5.018) 5.357 3.766 ( -0.107 1.448 -3.705) 3.979 4.055 ( 2.898 -4.046 -1.496) 5.197 4.094 ( 2.008 -2.360 -3.015) 4.324 4.479 ( -3.528 -5.636 -0.126) 6.651 4.654 ( -5.949 -1.458 3.629) 7.119 4.814 ( 2.072 -2.686 5.367) 6.349 4.895 ( -2.872 6.633 3.004) 7.828 5.015 ( 1.662 -2.082 -0.614) 2.734 5.040 ( -1.130 1.876 -1.072) 2.439 5.321 ( 3.470 -0.131 -1.283) 3.702 5.529 ( 9.048 -8.960 0.927) 12.767 6.046 ( 5.055 12.926 -2.179) 14.049 6.114 ( -2.611 -7.506 -0.057) 7.947 6.189 ( -1.350 -2.118 -0.042) 2.512 6.649 ( -3.108 8.986 1.201) 9.583 18.731 ( 0.018 -0.044 0.042) 0.063 18.851 ( 0.042 -0.721 0.155) 0.739 19.072 ( 0.008 1.112 0.040) 1.113 19.209 ( 0.023 0.078 0.007) 0.081 41.816 ( 0.145 -0.076 -0.045) 0.170 41.844 ( 0.412 -0.370 -0.103) 0.564 66.160 ( -3.137 -3.096 -3.553) 5.662 67.836 ( 2.037 -10.809 -1.709) 11.131 ======================= Grid point 213 (100/192) ======================= q-point: (-0.33 0.09 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.343 ( -12.616 5.034 6.740) 15.163 1.507 ( -14.210 9.800 5.775) 18.202 2.173 ( -0.026 7.099 -2.828) 7.641 2.377 ( 2.521 0.262 -9.520) 9.852 2.849 ( -26.176 -0.019 6.564) 26.986 3.109 ( -12.344 -3.038 2.148) 12.893 3.415 ( 1.529 1.259 -4.379) 4.806 3.782 ( 3.152 -2.156 -2.951) 4.826 4.070 ( -0.179 -3.748 -3.824) 5.357 4.149 ( 4.419 -1.204 -2.691) 5.312 4.444 ( -4.101 -1.665 2.671) 5.169 4.543 ( -3.114 -0.918 4.053) 5.192 4.833 ( -3.658 -3.246 0.702) 4.941 4.848 ( -0.479 5.647 4.133) 7.014 5.055 ( 4.249 -1.146 2.927) 5.285 5.151 ( 8.615 2.487 0.773) 9.000 5.356 ( 0.714 -0.906 -2.881) 3.103 5.680 ( 5.517 -9.813 -0.339) 11.262 6.038 ( -5.176 -5.216 0.431) 7.361 6.154 ( -1.719 -2.084 0.185) 2.708 6.168 ( 7.523 7.358 -5.200) 11.738 6.583 ( -4.048 8.335 3.219) 9.809 18.734 ( 0.231 -0.035 0.147) 0.276 18.853 ( 0.091 -0.739 0.158) 0.761 19.073 ( 0.101 1.197 0.038) 1.202 19.209 ( 0.004 0.116 -0.017) 0.117 41.820 ( 0.374 -0.217 -0.186) 0.471 41.846 ( -0.115 -0.428 -0.387) 0.589 66.068 ( -4.730 -2.065 -2.186) 5.606 67.807 ( -4.048 -12.904 -5.986) 14.790 ======================= Grid point 214 (101/192) ======================= q-point: (-0.22 0.09 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.110 ( -14.334 6.057 10.163) 18.586 1.278 ( -12.197 12.409 12.345) 21.334 2.088 ( -18.810 5.107 2.296) 19.626 2.150 ( -10.550 9.482 -0.787) 14.207 2.372 ( -20.999 0.722 -4.986) 21.595 2.966 ( -0.488 -1.999 -5.193) 5.586 3.450 ( 2.949 -0.715 -0.828) 3.145 3.863 ( 6.033 -1.268 -2.164) 6.533 4.036 ( -1.094 -2.211 -3.946) 4.653 4.226 ( 2.415 2.247 -4.335) 5.448 4.308 ( -6.375 -3.188 6.599) 9.714 4.560 ( -0.621 -2.155 0.815) 2.386 4.761 ( -2.284 -0.229 1.762) 2.894 4.878 ( 0.543 5.517 5.159) 7.573 5.153 ( 3.321 -3.436 1.980) 5.173 5.318 ( -1.715 -2.476 -4.721) 5.600 5.359 ( 10.452 3.212 1.475) 11.033 5.757 ( 2.611 -7.146 -1.019) 7.676 5.917 ( -6.341 -2.679 0.222) 6.887 6.120 ( -1.758 -2.672 0.193) 3.204 6.252 ( 2.124 2.522 -7.752) 8.424 6.544 ( -0.956 4.554 5.837) 7.464 18.743 ( 0.607 -0.133 0.478) 0.784 18.855 ( 0.035 -0.743 0.137) 0.757 19.077 ( 0.278 1.430 -0.018) 1.457 19.209 ( -0.008 0.199 -0.039) 0.202 41.832 ( 0.884 -0.324 -0.181) 0.959 41.838 ( -0.307 -0.285 -0.545) 0.687 65.967 ( -4.283 -0.824 -0.905) 4.455 67.576 ( -16.983 -16.029 -13.490) 26.969 ======================= Grid point 215 (102/192) ======================= q-point: (-0.11 0.09 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.888 ( -12.182 7.227 14.120) 20.000 1.069 ( -14.943 11.965 13.607) 23.487 1.668 ( -17.935 15.285 22.838) 32.816 1.927 ( -15.825 1.838 -8.174) 17.906 2.065 ( -3.866 9.218 -8.779) 13.304 2.972 ( 3.252 -1.116 -12.776) 13.230 3.519 ( 3.402 -2.829 3.583) 5.693 3.982 ( 4.456 0.623 -4.265) 6.200 4.003 ( -1.225 2.183 -1.536) 2.937 4.189 ( 4.188 2.029 0.902) 4.740 4.352 ( 3.275 -7.297 3.951) 8.921 4.481 ( -5.736 -2.603 -0.797) 6.349 4.744 ( -1.964 -1.671 0.427) 2.614 4.876 ( -3.927 3.791 2.975) 6.217 5.193 ( 1.269 -3.605 0.029) 3.822 5.234 ( -4.286 0.853 -6.031) 7.448 5.534 ( 1.634 3.903 1.979) 4.671 5.749 ( 1.261 -1.860 -2.585) 3.425 5.886 ( 2.983 -2.420 0.988) 3.966 6.082 ( -2.087 -1.156 0.395) 2.419 6.185 ( -5.568 -0.556 -3.640) 6.676 6.586 ( 2.255 -1.848 3.593) 4.627 18.765 ( 1.322 -0.653 0.921) 1.738 18.855 ( -0.169 -0.726 0.041) 0.746 19.084 ( 0.513 1.861 -0.304) 1.954 19.208 ( 0.021 0.319 -0.039) 0.322 41.835 ( 0.187 0.116 -0.111) 0.246 41.853 ( 1.150 -0.299 -0.018) 1.189 65.911 ( -0.673 0.142 0.042) 0.689 66.963 ( -37.353 -13.933 -14.930) 42.571 ======================= Grid point 216 (103/192) ======================= q-point: ( 0.00 0.18 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.017 ( -3.518 14.350 9.114) 17.360 1.196 ( -1.884 15.351 10.980) 18.968 1.771 ( -0.516 6.160 -7.132) 9.438 2.062 ( 2.835 15.408 2.570) 15.876 2.219 ( -0.091 16.165 0.199) 16.167 3.006 ( 0.688 5.378 -7.496) 9.251 3.531 ( 4.714 -5.425 4.761) 8.621 3.917 ( 0.061 -6.065 -1.200) 6.183 3.989 ( -1.763 0.058 0.977) 2.017 4.277 ( 0.459 -2.967 -0.196) 3.009 4.366 ( -1.759 -2.730 -2.023) 3.826 4.473 ( 0.482 -3.785 -3.386) 5.101 4.595 ( 11.864 2.359 -0.780) 12.122 4.695 ( -12.820 -0.083 -3.221) 13.218 5.081 ( -2.978 -2.110 3.747) 5.231 5.328 ( 3.784 1.148 -3.987) 5.616 5.538 ( -4.492 1.489 5.947) 7.600 5.847 ( 2.175 0.719 -2.741) 3.572 5.916 ( -4.183 0.241 0.561) 4.228 6.020 ( 4.149 -3.020 -1.780) 5.432 6.069 ( 0.748 0.314 0.040) 0.812 6.527 ( -1.142 -4.871 3.767) 6.262 18.765 ( 0.239 -1.043 0.596) 1.225 18.832 ( -0.175 -0.994 -0.048) 1.011 19.131 ( 0.068 1.896 -0.775) 2.049 19.219 ( 0.112 0.487 0.010) 0.500 41.841 ( -0.041 0.139 0.016) 0.146 41.864 ( -0.089 -0.204 0.067) 0.232 65.949 ( 1.499 0.611 0.617) 1.732 66.274 ( -4.699 -2.715 0.027) 5.427 ======================= Grid point 217 (104/192) ======================= q-point: ( 0.11 0.18 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.088 ( 5.322 8.320 13.160) 16.454 1.348 ( 11.300 12.485 9.379) 19.275 1.864 ( 10.429 5.721 -9.328) 15.116 2.127 ( 6.668 7.984 -12.377) 16.168 2.333 ( 8.382 21.497 14.936) 27.486 2.976 ( 0.287 4.573 -8.339) 9.515 3.599 ( -1.983 -7.033 2.840) 7.840 3.903 ( -1.161 -5.196 -1.636) 5.570 4.045 ( 4.548 0.910 1.894) 5.010 4.222 ( -7.117 -0.038 0.266) 7.122 4.301 ( 0.073 -1.174 -1.778) 2.132 4.423 ( 1.772 -1.271 -0.560) 2.252 4.580 ( 2.198 -8.585 -5.494) 10.427 4.883 ( 11.224 3.309 -0.531) 11.714 5.037 ( -2.946 -1.939 4.260) 5.530 5.370 ( 1.913 1.497 -3.428) 4.201 5.480 ( -5.437 0.480 6.616) 8.577 5.635 ( -12.935 -0.806 -0.064) 12.961 5.893 ( -0.427 -2.491 -1.372) 2.875 6.127 ( 4.582 -0.127 -2.791) 5.367 6.142 ( 4.183 3.011 -0.744) 5.207 6.562 ( 3.290 -4.152 3.447) 6.320 18.763 ( -0.632 -0.970 0.318) 1.201 18.831 ( 0.033 -1.004 0.087) 1.008 19.123 ( -0.531 1.907 -0.445) 2.029 19.219 ( -0.129 0.491 -0.043) 0.510 41.837 ( -0.326 0.208 0.011) 0.386 41.840 ( -1.964 -0.021 0.118) 1.968 65.985 ( 3.590 -0.808 -0.801) 3.766 66.502 ( 21.843 -6.429 -1.515) 22.820 ======================= Grid point 218 (105/192) ======================= q-point: ( 0.22 0.18 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.302 ( 10.096 4.141 13.080) 17.035 1.642 ( 13.110 7.671 7.847) 17.096 1.989 ( 6.486 4.639 -13.680) 15.835 2.254 ( 7.102 11.745 -5.752) 14.882 2.634 ( 15.856 10.674 7.394) 20.494 2.993 ( 5.553 2.076 -4.419) 7.395 3.514 ( -5.563 -4.116 2.304) 7.293 3.859 ( -2.395 -3.499 0.010) 4.241 3.988 ( -4.684 -0.902 -1.311) 4.947 4.188 ( -2.449 4.015 -7.463) 8.821 4.348 ( 3.909 -7.315 8.008) 11.529 4.512 ( 5.882 -3.266 -0.540) 6.750 4.679 ( 8.284 -7.254 -6.059) 12.568 4.947 ( -3.323 0.097 1.898) 3.828 5.046 ( 1.447 2.863 3.876) 5.032 5.291 ( -10.805 -3.422 -0.028) 11.334 5.374 ( -2.772 5.013 0.666) 5.767 5.485 ( -4.345 -2.204 2.115) 5.311 5.905 ( 2.214 -6.735 -0.705) 7.124 6.158 ( -0.032 -2.826 -2.073) 3.505 6.215 ( 3.752 8.570 -1.475) 9.471 6.673 ( 5.992 1.156 1.975) 6.414 18.749 ( -0.754 -0.541 0.107) 0.934 18.832 ( 0.018 -1.044 0.159) 1.056 19.111 ( -0.451 1.824 -0.131) 1.884 19.215 ( -0.191 0.391 -0.043) 0.438 41.806 ( -1.166 -0.024 -0.007) 1.166 41.832 ( -0.174 0.335 0.058) 0.382 66.065 ( 4.260 -3.208 -2.157) 5.752 66.950 ( 21.455 -12.480 -2.608) 24.957 ======================= Grid point 219 (106/192) ======================= q-point: ( 0.33 0.18 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.576 ( 12.080 2.241 9.150) 15.319 1.888 ( 7.834 3.909 3.241) 9.336 2.042 ( 4.711 5.083 -8.869) 11.256 2.278 ( -2.128 13.537 -4.612) 14.459 2.952 ( 12.886 1.282 2.129) 13.124 3.164 ( 9.874 -2.573 1.023) 10.255 3.444 ( -1.863 -1.174 1.062) 2.445 3.832 ( -0.488 -4.248 1.803) 4.640 3.916 ( -1.810 -0.230 -2.914) 3.438 4.088 ( -3.376 -0.404 -7.338) 8.087 4.446 ( 2.859 -7.410 6.511) 10.270 4.614 ( 3.741 -4.867 -0.514) 6.160 4.720 ( -2.783 -1.785 -3.965) 5.163 4.926 ( 0.956 -1.465 4.270) 4.615 5.072 ( -0.119 -1.780 2.242) 2.865 5.133 ( -3.909 1.386 -1.166) 4.308 5.281 ( -5.884 2.457 0.354) 6.386 5.422 ( -2.972 0.303 1.825) 3.501 5.955 ( 2.354 -8.444 -0.143) 8.767 6.131 ( -1.434 -3.427 -1.950) 4.196 6.278 ( 2.911 11.887 -0.923) 12.273 6.790 ( 4.629 5.557 1.103) 7.316 18.737 ( -0.448 -0.241 0.042) 0.510 18.832 ( -0.048 -1.048 0.140) 1.059 19.104 ( -0.232 1.711 -0.017) 1.727 19.212 ( -0.121 0.243 -0.030) 0.273 41.798 ( 0.244 -0.135 -0.098) 0.296 41.831 ( 0.013 0.278 0.136) 0.309 66.119 ( 2.021 -4.647 -3.006) 5.892 67.289 ( 13.149 -15.407 -1.165) 20.289 ======================= Grid point 220 (107/192) ======================= q-point: ( 0.44 0.18 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.768 ( 0.697 2.367 -1.018) 2.669 1.990 ( 8.170 1.483 0.235) 8.307 2.160 ( 6.668 7.034 -1.414) 9.795 2.169 ( -6.422 12.323 -0.098) 13.896 3.151 ( 6.124 -4.480 0.837) 7.634 3.280 ( -0.565 -5.233 3.090) 6.103 3.438 ( 0.870 0.631 -1.117) 1.550 3.835 ( -0.784 -2.312 -0.098) 2.444 3.903 ( 1.964 -1.940 -1.218) 3.017 4.015 ( -1.016 -4.413 -5.377) 7.030 4.484 ( -3.181 -4.370 2.097) 5.798 4.605 ( 0.430 -4.919 -1.367) 5.123 4.700 ( -0.661 -3.274 3.420) 4.780 4.970 ( 2.472 2.526 2.954) 4.606 5.039 ( -3.570 -3.679 -2.447) 5.681 5.125 ( 2.999 -2.118 1.665) 4.031 5.188 ( -3.307 4.047 -0.035) 5.227 5.394 ( -0.121 1.215 1.582) 1.999 5.978 ( -0.164 -8.642 -0.638) 8.667 6.100 ( -0.755 -3.691 -1.107) 3.926 6.321 ( 1.932 13.862 -0.779) 14.017 6.854 ( 1.168 8.248 0.882) 8.377 18.731 ( -0.143 -0.084 0.043) 0.171 18.832 ( -0.039 -1.063 0.111) 1.070 19.101 ( -0.072 1.660 0.012) 1.661 19.210 ( -0.030 0.134 -0.020) 0.139 41.808 ( 0.646 -0.083 -0.043) 0.653 41.832 ( 0.058 -0.029 0.104) 0.122 66.121 ( -0.403 -4.973 -3.214) 5.935 67.473 ( 6.001 -16.873 -0.355) 17.912 ======================= Grid point 221 (108/192) ======================= q-point: (-0.44 0.18 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.656 ( -8.150 5.261 -0.562) 9.717 1.974 ( -11.423 11.900 1.833) 16.597 2.206 ( 9.588 -1.104 -6.346) 11.550 2.309 ( 7.985 9.114 2.249) 12.324 3.148 ( -11.676 -6.498 1.816) 13.485 3.188 ( -4.736 -5.326 1.985) 7.398 3.465 ( 1.543 2.584 -0.279) 3.022 3.782 ( -3.507 -0.514 -2.247) 4.197 3.966 ( 2.723 -4.353 -1.706) 5.410 4.003 ( 2.002 -5.602 -1.589) 6.158 4.410 ( -1.043 -1.612 -1.094) 2.210 4.604 ( -3.999 -3.661 1.451) 5.612 4.710 ( 1.796 -5.496 4.805) 7.518 4.947 ( -3.406 -0.365 -0.955) 3.556 5.071 ( 6.352 5.434 1.706) 8.531 5.122 ( -3.242 5.418 -0.082) 6.314 5.232 ( 5.549 -7.513 -0.869) 9.381 5.430 ( 2.872 -1.402 1.457) 3.512 5.948 ( -2.273 -8.182 -0.362) 8.500 6.086 ( -0.606 -5.145 -0.878) 5.255 6.354 ( 1.900 14.057 -1.341) 14.248 6.841 ( -2.824 9.207 1.175) 9.701 18.731 ( 0.059 -0.009 0.050) 0.078 18.832 ( 0.027 -1.089 0.108) 1.094 19.101 ( 0.061 1.674 0.013) 1.675 19.211 ( 0.043 0.108 -0.021) 0.118 41.815 ( -0.014 -0.068 -0.087) 0.111 41.836 ( 0.299 -0.307 0.020) 0.429 66.081 ( -2.244 -4.231 -2.664) 5.480 67.533 ( 0.320 -18.181 -1.170) 18.221 ======================= Grid point 222 (109/192) ======================= q-point: (-0.33 0.18 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.485 ( -9.550 8.363 3.726) 13.230 1.744 ( -12.351 12.428 5.442) 18.347 2.273 ( 1.820 0.333 -10.545) 10.706 2.472 ( 4.931 10.678 -2.375) 11.999 2.823 ( -20.295 -3.449 3.247) 20.840 3.042 ( -10.110 -2.485 3.418) 10.958 3.453 ( -2.443 2.260 -0.084) 3.329 3.741 ( 1.833 -1.610 -1.358) 2.792 3.965 ( 0.114 -6.272 -1.876) 6.548 4.093 ( 5.390 -2.622 -0.653) 6.029 4.442 ( 0.889 -0.765 -2.290) 2.573 4.509 ( -3.602 -2.341 3.380) 5.466 4.744 ( -0.639 -4.317 -0.227) 4.370 4.938 ( 2.393 2.482 3.273) 4.754 5.069 ( -1.019 3.130 1.560) 3.643 5.230 ( 7.832 4.833 1.299) 9.294 5.289 ( 1.308 -6.351 -4.201) 7.726 5.507 ( 3.781 -6.320 1.904) 7.607 5.896 ( -2.976 -7.160 0.395) 7.763 6.062 ( -1.337 -5.698 -0.833) 5.911 6.379 ( 1.044 10.813 -2.905) 11.245 6.758 ( -5.847 8.280 2.107) 10.353 18.734 ( 0.213 0.001 0.091) 0.232 18.834 ( 0.083 -1.112 0.119) 1.121 19.104 ( 0.256 1.755 -0.018) 1.773 19.212 ( 0.089 0.167 -0.025) 0.191 41.813 ( 0.099 -0.401 -0.250) 0.483 41.840 ( 0.012 -0.123 -0.031) 0.127 66.016 ( -3.228 -2.668 -1.647) 4.500 67.463 ( -7.016 -19.724 -3.592) 21.241 ======================= Grid point 223 (110/192) ======================= q-point: (-0.22 0.18 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.300 ( -10.851 11.537 5.796) 16.865 1.545 ( -11.118 12.962 9.131) 19.365 2.199 ( -6.132 4.116 -7.881) 10.801 2.347 ( -15.479 3.846 -7.724) 17.721 2.450 ( -15.119 12.228 5.162) 20.119 2.947 ( 0.800 1.399 0.730) 1.770 3.424 ( -0.131 -2.068 1.174) 2.381 3.831 ( 6.097 -2.150 -0.312) 6.472 3.985 ( 3.294 -2.097 -1.016) 4.036 4.183 ( 2.971 -2.890 0.639) 4.193 4.332 ( -7.032 1.946 -0.357) 7.305 4.504 ( -1.770 -3.808 -1.601) 4.494 4.704 ( -2.140 -3.951 -3.248) 5.544 5.020 ( 1.578 6.269 4.595) 7.931 5.094 ( 1.627 -1.883 4.625) 5.252 5.247 ( -0.588 -4.001 -5.768) 7.045 5.425 ( 9.982 3.018 0.593) 10.445 5.598 ( 5.324 -8.201 1.277) 9.861 5.819 ( -5.034 -5.597 -0.009) 7.528 6.042 ( -0.339 -4.820 0.415) 4.850 6.347 ( -3.309 6.073 -4.637) 8.327 6.646 ( -5.907 5.007 3.366) 8.444 18.740 ( 0.417 -0.108 0.263) 0.505 18.836 ( 0.050 -1.118 0.096) 1.123 19.112 ( 0.575 1.895 -0.150) 1.986 19.214 ( 0.109 0.282 -0.008) 0.303 41.821 ( 0.872 -0.490 -0.213) 1.023 41.838 ( -0.047 0.140 -0.060) 0.159 65.949 ( -2.746 -0.814 -0.666) 2.941 67.192 ( -18.868 -19.903 -6.471) 28.178 ======================= Grid point 224 (111/192) ======================= q-point: (-0.11 0.18 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.122 ( -9.166 14.279 7.415) 18.517 1.334 ( -13.565 13.814 9.092) 21.389 1.958 ( -13.986 4.848 -4.209) 15.389 2.063 ( -6.829 15.547 4.809) 17.649 2.277 ( -3.840 11.933 -5.887) 13.849 2.993 ( 2.951 4.553 -4.148) 6.830 3.452 ( 1.718 -3.784 3.731) 5.585 3.908 ( 1.684 -5.395 -0.871) 5.718 4.065 ( -2.797 0.728 0.414) 2.920 4.209 ( 7.458 -0.449 2.315) 7.822 4.290 ( 3.208 1.973 -2.443) 4.489 4.428 ( -3.823 -3.006 -2.100) 5.297 4.623 ( -3.805 -7.871 -5.082) 10.112 4.958 ( -9.178 3.203 0.540) 9.736 5.119 ( -1.923 -3.093 4.460) 5.758 5.263 ( 3.920 0.750 -4.394) 5.936 5.594 ( 1.680 1.667 1.563) 2.836 5.715 ( 5.128 -1.102 -1.278) 5.398 5.787 ( 7.429 -6.884 2.580) 10.452 6.041 ( -0.322 -2.664 0.211) 2.691 6.204 ( -8.957 2.409 -3.358) 9.864 6.564 ( -3.731 -0.393 3.360) 5.036 18.753 ( 0.626 -0.494 0.546) 0.966 18.836 ( -0.110 -1.087 0.002) 1.093 19.125 ( 0.745 1.963 -0.518) 2.163 19.216 ( 0.146 0.410 0.041) 0.437 41.839 ( 0.223 0.265 -0.029) 0.348 41.846 ( 1.404 -0.301 0.041) 1.437 65.917 ( 0.099 0.555 0.103) 0.573 66.677 ( -27.744 -12.948 -5.029) 31.027 ======================= Grid point 225 (112/192) ======================= q-point: ( 0.00 0.27 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.338 ( -3.439 16.156 2.180) 16.661 1.517 ( -1.317 15.411 5.569) 16.439 1.892 ( 0.554 5.559 -5.548) 7.873 2.201 ( 3.234 1.673 -16.493) 16.890 2.647 ( 0.859 21.875 12.897) 25.408 3.181 ( -1.494 10.339 -0.175) 10.448 3.434 ( 2.578 -3.580 6.193) 7.604 3.779 ( -0.821 -6.589 -1.706) 6.856 3.976 ( 0.669 -1.602 0.071) 1.737 4.211 ( 0.604 -4.495 0.171) 4.539 4.305 ( -2.938 -3.943 -5.611) 7.461 4.357 ( -0.229 -3.618 -1.375) 3.877 4.672 ( 13.871 4.115 -1.425) 14.538 4.746 ( -12.322 3.880 -2.361) 13.133 5.043 ( -4.157 -1.817 4.323) 6.267 5.289 ( 2.687 -4.492 -1.372) 5.411 5.553 ( -2.647 0.331 4.381) 5.129 5.811 ( 5.571 -4.296 -0.066) 7.035 5.925 ( -9.428 0.616 -0.624) 9.469 5.987 ( 9.778 -0.176 -3.577) 10.413 6.079 ( 0.456 0.727 -0.488) 0.987 6.434 ( -3.514 -4.523 3.038) 6.483 18.751 ( 0.048 -0.417 0.213) 0.471 18.811 ( -0.088 -1.071 -0.010) 1.074 19.166 ( 0.019 1.543 -0.517) 1.627 19.228 ( 0.110 0.291 0.046) 0.314 41.844 ( -0.042 0.154 -0.023) 0.161 41.860 ( -0.027 -0.214 0.005) 0.216 65.966 ( 1.038 1.119 0.507) 1.609 66.214 ( -2.175 -3.077 -0.064) 3.769 ======================= Grid point 226 (113/192) ======================= q-point: ( 0.11 0.27 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( 2.123 14.352 3.938) 15.033 1.611 ( 7.426 12.852 5.422) 15.802 1.972 ( 8.227 5.034 -8.341) 12.752 2.240 ( 8.042 3.093 -12.863) 15.482 2.755 ( 4.147 18.499 12.042) 22.459 3.123 ( -3.539 9.144 -1.500) 9.919 3.483 ( -1.222 -4.091 5.957) 7.329 3.761 ( 0.023 -7.748 -2.262) 8.072 4.067 ( 4.332 1.218 2.876) 5.341 4.187 ( -4.310 -2.746 -3.026) 5.939 4.267 ( 4.482 -3.552 -2.024) 6.067 4.383 ( 3.924 -4.652 -0.698) 6.126 4.492 ( -8.342 2.541 -5.168) 10.137 4.944 ( 7.359 1.864 -1.051) 7.664 4.983 ( -0.312 -2.525 6.151) 6.656 5.318 ( -0.043 -5.064 -2.086) 5.477 5.519 ( -2.805 2.469 3.015) 4.801 5.638 ( -13.580 0.942 0.063) 13.612 5.829 ( -2.742 -3.583 -1.604) 4.789 6.075 ( 0.989 -3.997 -1.208) 4.291 6.219 ( 9.007 3.670 -2.022) 9.934 6.495 ( 8.080 -2.509 3.325) 9.090 18.748 ( -0.341 -0.434 0.121) 0.565 18.810 ( -0.007 -1.043 0.056) 1.044 19.159 ( -0.475 1.643 -0.348) 1.745 19.227 ( -0.167 0.267 -0.020) 0.316 41.837 ( -1.204 -0.029 0.036) 1.205 41.845 ( -0.670 0.269 -0.008) 0.722 65.978 ( 1.271 0.220 -0.331) 1.332 66.369 ( 14.576 -6.465 -0.328) 15.949 ======================= Grid point 227 (114/192) ======================= q-point: ( 0.22 0.27 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.452 ( 7.601 10.007 5.522) 13.726 1.808 ( 9.128 8.191 4.202) 12.964 2.072 ( 5.836 3.891 -11.260) 13.266 2.427 ( 12.812 4.709 -7.974) 15.809 2.874 ( 2.140 11.950 8.051) 14.567 3.069 ( 0.310 5.135 0.522) 5.171 3.449 ( -3.015 -2.254 3.996) 5.490 3.758 ( -0.010 -6.478 -1.130) 6.576 3.965 ( -7.462 -0.501 0.870) 7.529 4.233 ( 1.660 -4.302 5.479) 7.161 4.272 ( -5.308 3.873 -7.164) 9.721 4.448 ( 5.686 -3.041 -0.140) 6.450 4.536 ( 11.564 -6.019 -5.376) 14.101 4.902 ( -3.782 -4.256 3.726) 6.805 5.086 ( -1.998 1.156 3.157) 3.911 5.245 ( -2.561 -0.940 -2.843) 3.940 5.449 ( -7.294 1.596 1.541) 7.624 5.469 ( -1.962 1.025 -0.024) 2.214 5.770 ( -1.160 -6.009 -0.937) 6.191 6.066 ( -1.157 -5.789 -0.570) 5.931 6.382 ( 8.040 7.632 -1.553) 11.194 6.707 ( 10.534 1.760 1.827) 10.835 18.740 ( -0.424 -0.221 0.046) 0.481 18.810 ( -0.011 -1.097 0.096) 1.101 19.148 ( -0.485 1.723 -0.153) 1.797 19.222 ( -0.297 0.220 -0.052) 0.373 41.808 ( -1.150 0.232 0.039) 1.173 41.839 ( -0.170 0.306 -0.002) 0.350 66.013 ( 2.092 -1.582 -1.213) 2.889 66.687 ( 15.763 -12.988 -0.844) 20.442 ======================= Grid point 228 (115/192) ======================= q-point: ( 0.33 0.27 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.662 ( 10.663 6.025 4.687) 13.114 1.960 ( 4.439 3.162 -1.822) 5.746 2.144 ( 5.640 5.044 -4.277) 8.692 2.557 ( 0.643 12.627 -4.984) 13.590 2.917 ( 3.133 -4.586 1.227) 5.688 3.155 ( 4.522 1.960 4.362) 6.582 3.428 ( -0.014 -1.134 1.896) 2.209 3.745 ( -0.937 -4.295 0.540) 4.429 3.874 ( -2.213 -3.076 0.655) 3.845 4.111 ( -6.702 2.841 -6.954) 10.067 4.291 ( 2.288 -7.588 4.560) 9.143 4.548 ( 4.001 -1.990 -0.114) 4.470 4.675 ( 1.556 -2.622 -3.724) 4.813 4.861 ( -1.619 -5.649 4.418) 7.352 5.003 ( -1.655 -0.248 0.643) 1.792 5.239 ( -0.839 5.541 -0.601) 5.636 5.304 ( -6.052 0.289 0.810) 6.112 5.440 ( -1.468 0.536 -0.231) 1.580 5.780 ( 1.571 -8.121 -0.161) 8.274 6.033 ( -1.606 -5.722 -1.290) 6.082 6.519 ( 5.983 11.280 -0.875) 12.798 6.898 ( 7.575 4.639 1.101) 8.951 18.734 ( -0.252 -0.021 0.045) 0.257 18.810 ( -0.059 -1.140 0.079) 1.145 19.140 ( -0.282 1.715 -0.054) 1.739 19.216 ( -0.235 0.134 -0.059) 0.277 41.798 ( 0.166 0.251 -0.020) 0.302 41.836 ( -0.132 0.222 0.048) 0.262 66.038 ( 0.875 -2.805 -1.768) 3.429 66.948 ( 10.314 -17.472 -0.467) 20.294 ======================= Grid point 229 (116/192) ======================= q-point: ( 0.44 0.27 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.836 ( 2.157 4.108 -1.436) 4.857 2.021 ( 6.721 1.562 -1.798) 7.131 2.272 ( 7.350 4.501 1.834) 8.812 2.437 ( -9.484 12.336 -0.759) 15.579 3.022 ( 5.908 -7.885 -1.962) 10.046 3.186 ( -3.519 -3.310 0.452) 4.852 3.460 ( 1.750 0.525 3.485) 3.935 3.740 ( 0.029 -4.632 1.667) 4.922 3.854 ( -0.428 -5.734 -1.120) 5.858 3.980 ( -2.790 3.237 -5.207) 6.736 4.353 ( 1.365 -8.190 3.705) 9.092 4.571 ( -1.391 0.877 -2.497) 2.990 4.643 ( -1.871 -2.536 2.523) 4.037 4.880 ( 2.520 -7.769 1.842) 8.372 5.016 ( 0.625 1.003 -0.907) 1.490 5.181 ( -1.295 4.694 0.713) 4.921 5.264 ( -1.062 3.707 1.579) 4.167 5.413 ( -0.663 0.219 -1.281) 1.459 5.802 ( 0.245 -8.405 -0.241) 8.412 5.995 ( -1.536 -5.996 -1.364) 6.338 6.606 ( 3.012 13.341 -0.692) 13.695 7.006 ( 2.661 6.331 0.841) 6.919 18.731 ( -0.049 0.092 0.062) 0.121 18.809 ( -0.050 -1.164 0.056) 1.166 19.136 ( -0.080 1.691 -0.021) 1.693 19.213 ( -0.086 0.061 -0.056) 0.119 41.809 ( 0.717 0.188 -0.029) 0.742 41.833 ( -0.270 0.059 0.049) 0.281 66.034 ( -0.429 -3.042 -1.915) 3.621 67.093 ( 4.486 -19.820 -0.197) 20.323 ======================= Grid point 230 (117/192) ======================= q-point: (-0.44 0.27 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.773 ( -5.045 5.966 -1.465) 7.949 2.143 ( -0.469 0.841 -0.931) 1.339 2.244 ( -4.934 7.982 -2.488) 9.708 2.469 ( 11.464 5.340 3.610) 13.152 3.015 ( -12.138 -5.228 -3.878) 13.773 3.082 ( -0.343 -4.757 0.754) 4.829 3.517 ( 1.572 1.576 4.718) 5.216 3.737 ( -1.480 -2.579 1.225) 3.216 3.831 ( -0.613 -7.662 -2.385) 8.048 3.984 ( 4.050 3.175 -2.744) 5.832 4.351 ( -1.236 -5.490 1.331) 5.783 4.530 ( -2.899 -2.100 -0.587) 3.628 4.639 ( 1.272 -1.966 3.790) 4.455 4.929 ( 1.363 -2.997 -1.785) 3.745 5.048 ( 3.792 -4.425 0.366) 5.839 5.195 ( -0.188 4.158 0.299) 4.173 5.257 ( 1.124 6.332 2.104) 6.766 5.408 ( 0.545 -1.394 -1.303) 1.985 5.787 ( -1.303 -7.446 -0.151) 7.561 5.962 ( -1.459 -6.823 -0.981) 7.046 6.632 ( -0.065 12.862 -1.020) 12.902 7.007 ( -2.859 6.788 0.872) 7.417 18.732 ( 0.095 0.141 0.053) 0.178 18.809 ( 0.014 -1.181 0.058) 1.182 19.136 ( 0.107 1.699 -0.023) 1.703 19.212 ( 0.072 0.048 -0.052) 0.101 41.815 ( -0.292 0.096 -0.099) 0.322 41.833 ( 0.378 -0.045 0.052) 0.385 66.009 ( -1.233 -2.332 -1.592) 3.081 67.128 ( -0.807 -20.864 -0.655) 20.890 ======================= Grid point 231 (118/192) ======================= q-point: (-0.33 0.27 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.661 ( -6.008 8.475 1.480) 10.493 1.973 ( -11.200 9.123 4.907) 15.256 2.244 ( 2.508 -1.923 -11.995) 12.404 2.698 ( -12.067 -7.936 0.499) 14.452 2.728 ( 6.530 12.870 -1.949) 14.563 3.029 ( -5.287 0.745 4.850) 7.213 3.488 ( -6.976 0.682 3.360) 7.773 3.729 ( 1.477 0.295 1.567) 2.173 3.842 ( 3.344 -4.781 -1.126) 5.942 4.078 ( 5.639 1.359 -2.442) 6.294 4.361 ( 1.233 -6.526 -2.093) 6.964 4.457 ( -3.778 -2.414 2.910) 5.345 4.684 ( 0.602 -1.955 0.126) 2.049 4.958 ( 2.006 -1.566 0.798) 2.667 5.113 ( 2.743 -4.625 -2.047) 5.754 5.179 ( -0.196 3.520 0.774) 3.609 5.329 ( 4.825 4.367 0.470) 6.525 5.416 ( 0.530 -3.387 0.344) 3.445 5.761 ( -1.288 -5.975 -0.143) 6.114 5.930 ( -1.290 -7.119 0.070) 7.235 6.593 ( -3.326 10.021 -1.881) 10.725 6.905 ( -7.552 5.873 1.198) 9.641 18.735 ( 0.191 0.138 0.035) 0.239 18.810 ( 0.076 -1.196 0.077) 1.201 19.140 ( 0.343 1.736 -0.063) 1.771 19.215 ( 0.187 0.104 -0.041) 0.218 41.808 ( -0.086 -0.032 -0.138) 0.166 41.840 ( 0.202 0.042 0.012) 0.207 65.975 ( -1.574 -0.963 -0.974) 2.087 67.045 ( -7.414 -20.584 -1.722) 21.946 ======================= Grid point 232 (119/192) ======================= q-point: (-0.22 0.27 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.542 ( -6.877 11.477 2.771) 13.664 1.787 ( -9.973 10.610 6.620) 15.996 2.211 ( -0.912 -2.652 -14.949) 15.210 2.364 ( -13.877 -0.242 -5.588) 14.962 2.776 ( -8.111 17.036 5.216) 19.576 3.042 ( 5.994 6.998 5.303) 10.632 3.369 ( -4.066 -2.736 3.172) 5.838 3.773 ( 1.694 -3.458 0.851) 3.944 3.974 ( 9.428 1.140 0.369) 9.504 4.150 ( 0.926 -0.444 -0.726) 1.258 4.336 ( -0.909 -1.986 -3.737) 4.329 4.414 ( -2.825 -3.839 0.993) 4.869 4.615 ( -6.261 -4.751 -4.217) 8.920 4.996 ( 0.401 -6.411 5.575) 8.505 5.160 ( -2.354 4.780 1.823) 5.631 5.200 ( 5.875 0.864 -5.598) 8.161 5.442 ( 5.429 -6.558 1.854) 8.714 5.478 ( 7.965 1.799 -0.073) 8.166 5.713 ( -3.589 -4.643 -1.081) 5.967 5.932 ( 1.319 -5.833 2.094) 6.336 6.477 ( -7.512 6.409 -2.963) 10.309 6.733 ( -9.682 3.334 1.709) 10.381 18.740 ( 0.274 0.057 0.071) 0.289 18.812 ( 0.064 -1.200 0.069) 1.203 19.150 ( 0.615 1.739 -0.185) 1.854 19.219 ( 0.230 0.203 -0.002) 0.307 41.816 ( 0.947 -0.036 -0.059) 0.950 41.842 ( 0.092 0.168 -0.040) 0.195 65.943 ( -1.150 0.521 -0.358) 1.312 66.808 ( -15.451 -17.394 -2.479) 23.397 ======================= Grid point 233 (120/192) ======================= q-point: (-0.11 0.27 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.422 ( -5.912 14.400 3.019) 15.856 1.617 ( -9.364 13.483 5.507) 17.315 2.018 ( -9.853 1.832 -6.708) 12.060 2.222 ( 1.043 1.291 -14.994) 15.085 2.644 ( -5.776 21.661 9.863) 24.492 3.164 ( 3.205 10.777 2.258) 11.468 3.366 ( 1.389 -4.362 4.989) 6.771 3.796 ( 0.170 -5.266 -0.042) 5.269 4.039 ( -5.616 -2.366 0.011) 6.094 4.195 ( 4.728 -1.428 0.088) 4.940 4.348 ( 1.154 -1.430 -5.148) 5.466 4.362 ( 0.887 0.295 0.050) 0.936 4.487 ( -0.931 -4.083 -4.644) 6.254 4.972 ( -6.783 -2.460 1.427) 7.355 5.101 ( -3.641 1.781 3.465) 5.332 5.248 ( 1.906 -1.971 -2.858) 3.961 5.597 ( -0.672 -1.117 1.495) 1.983 5.634 ( 9.035 -7.022 0.815) 11.472 5.717 ( 11.518 0.651 -0.353) 11.541 5.980 ( 2.147 -3.326 1.035) 4.092 6.267 ( -12.045 3.529 -2.724) 12.843 6.555 ( -8.472 -0.729 1.831) 8.698 18.746 ( 0.289 -0.156 0.172) 0.371 18.812 ( -0.040 -1.162 0.015) 1.163 19.161 ( 0.604 1.626 -0.413) 1.783 19.224 ( 0.224 0.285 0.060) 0.367 41.840 ( 0.964 -0.130 -0.008) 0.972 41.846 ( 0.617 0.230 -0.013) 0.658 65.936 ( 0.723 1.399 0.159) 1.583 66.449 ( -17.660 -9.596 -1.475) 20.153 ======================= Grid point 234 (121/192) ======================= q-point: ( 0.00 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.644 ( -1.511 13.417 -1.572) 13.593 1.801 ( -0.982 12.152 2.251) 12.398 1.983 ( 1.947 2.935 -3.496) 4.962 2.199 ( 3.431 -1.369 -11.793) 12.358 3.028 ( -1.840 14.410 7.452) 16.327 3.326 ( 0.192 2.833 7.723) 8.228 3.436 ( 0.689 3.763 0.161) 3.829 3.663 ( -1.857 -4.563 -2.567) 5.555 3.932 ( 2.152 -1.803 -1.526) 3.195 4.110 ( 0.463 -5.183 0.235) 5.209 4.241 ( -2.007 -0.676 -1.173) 2.421 4.330 ( -1.349 -0.526 -0.997) 1.758 4.745 ( 7.032 3.053 -2.189) 7.973 4.832 ( -2.981 4.202 -1.316) 5.317 5.001 ( -7.199 -2.384 3.985) 8.566 5.172 ( 1.544 -6.248 -0.342) 6.445 5.560 ( 0.315 0.490 2.101) 2.181 5.709 ( 5.963 -4.929 0.397) 7.747 5.941 ( -7.284 0.883 -0.785) 7.380 5.987 ( 9.825 -0.213 -2.159) 10.061 6.102 ( -1.159 1.676 -0.991) 2.266 6.337 ( -4.800 -5.004 1.372) 7.069 18.748 ( -0.023 0.119 -0.016) 0.122 18.789 ( -0.033 -1.029 0.012) 1.030 19.194 ( 0.009 1.186 -0.311) 1.226 19.231 ( 0.080 -0.017 0.008) 0.082 41.847 ( -0.020 0.139 -0.062) 0.153 41.856 ( 0.005 -0.179 -0.050) 0.186 65.995 ( 0.541 1.722 0.357) 1.841 66.151 ( -1.007 -3.116 -0.084) 3.276 ======================= Grid point 235 (122/192) ======================= q-point: ( 0.11 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.627 ( 0.857 13.743 -1.146) 13.818 1.850 ( 4.423 10.096 1.715) 11.155 2.060 ( 6.358 3.373 -5.560) 9.095 2.266 ( 8.186 -0.359 -8.592) 11.872 3.043 ( 0.328 9.802 7.647) 12.437 3.313 ( -5.125 8.797 4.375) 11.081 3.437 ( -0.644 -1.144 3.800) 4.020 3.610 ( -1.365 -6.759 -3.974) 7.958 4.077 ( 11.195 -1.620 -0.640) 11.330 4.118 ( -3.840 -1.354 0.321) 4.085 4.223 ( 1.446 -0.881 -2.065) 2.670 4.305 ( 2.022 -2.442 -0.010) 3.170 4.575 ( -10.465 4.385 -2.315) 11.580 4.885 ( -6.183 -5.023 4.131) 8.974 5.008 ( 9.344 2.402 0.703) 9.673 5.208 ( 1.508 -5.148 -2.354) 5.858 5.561 ( -1.538 1.613 0.200) 2.237 5.675 ( -12.766 2.557 0.453) 13.028 5.752 ( -2.318 -3.686 -1.683) 4.669 5.979 ( -3.932 -5.162 0.541) 6.512 6.288 ( 12.327 3.069 -1.703) 12.817 6.449 ( 12.641 -2.246 1.685) 12.949 18.745 ( -0.207 0.132 -0.018) 0.246 18.789 ( -0.037 -1.033 0.034) 1.035 19.189 ( -0.365 1.282 -0.233) 1.353 19.229 ( -0.192 -0.058 -0.038) 0.204 41.838 ( -1.035 0.147 -0.028) 1.046 41.848 ( -0.393 0.047 -0.054) 0.399 65.997 ( 0.330 1.719 -0.064) 1.752 66.242 ( 8.565 -5.896 -0.031) 10.399 ======================= Grid point 236 (123/192) ======================= q-point: ( 0.22 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.678 ( 4.605 11.389 -0.142) 12.286 1.954 ( 4.781 5.418 -0.444) 7.239 2.155 ( 5.693 4.463 -5.714) 9.218 2.454 ( 12.549 -1.573 -5.565) 13.818 3.088 ( -2.572 8.834 7.070) 11.603 3.185 ( -5.268 5.912 3.424) 8.628 3.416 ( -2.767 -1.460 1.468) 3.456 3.606 ( 2.077 -8.155 -2.179) 8.693 3.977 ( -8.461 1.584 1.505) 8.739 4.159 ( -2.125 -3.261 3.180) 5.026 4.332 ( 0.932 1.253 -5.021) 5.258 4.401 ( 4.060 -0.820 -0.853) 4.229 4.460 ( 8.277 -0.893 -1.216) 8.413 4.790 ( -5.089 -6.442 4.366) 9.298 5.108 ( -1.710 1.225 0.243) 2.117 5.223 ( 3.329 -1.664 -1.939) 4.197 5.457 ( -5.994 0.296 -0.793) 6.054 5.516 ( -5.729 2.389 -0.339) 6.216 5.676 ( -2.474 -2.857 -0.923) 3.890 5.935 ( -1.501 -6.767 0.720) 6.969 6.524 ( 11.668 6.313 -0.982) 13.302 6.729 ( 13.466 0.149 1.058) 13.508 18.740 ( -0.239 0.242 -0.002) 0.340 18.788 ( -0.058 -1.084 0.048) 1.087 19.180 ( -0.435 1.380 -0.138) 1.454 19.223 ( -0.342 -0.086 -0.069) 0.359 41.816 ( -0.910 0.510 -0.006) 1.043 41.842 ( -0.230 -0.011 -0.048) 0.235 66.011 ( 0.933 1.560 -0.504) 1.886 66.435 ( 9.742 -11.542 -0.195) 15.105 ======================= Grid point 237 (124/192) ======================= q-point: ( 0.33 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.805 ( 7.706 7.496 0.225) 10.753 2.013 ( 2.097 1.784 -4.121) 4.956 2.250 ( 4.980 5.530 -0.604) 7.467 2.683 ( 12.163 -3.750 -5.072) 13.701 2.891 ( -13.912 5.998 2.750) 15.397 3.206 ( -1.127 1.857 3.026) 3.725 3.391 ( 1.606 -1.780 1.272) 2.714 3.641 ( 1.607 -5.878 -1.590) 6.298 3.840 ( -5.945 0.277 2.755) 6.558 4.136 ( -0.692 -6.579 0.637) 6.646 4.210 ( -5.868 5.685 -0.268) 8.175 4.521 ( 4.574 -0.809 1.273) 4.816 4.620 ( 4.263 -2.688 -2.704) 5.719 4.723 ( -2.828 -7.034 3.565) 8.378 5.055 ( -0.202 4.267 -1.435) 4.507 5.285 ( 0.396 -1.105 2.307) 2.588 5.341 ( -3.715 2.705 -1.446) 4.817 5.435 ( -1.968 -0.629 -1.551) 2.583 5.653 ( -0.055 -3.529 -0.577) 3.577 5.906 ( -1.581 -6.652 -0.808) 6.884 6.727 ( 8.616 9.050 -0.450) 12.503 6.965 ( 9.463 1.764 0.726) 9.654 18.737 ( -0.134 0.342 0.035) 0.369 18.787 ( -0.077 -1.120 0.036) 1.123 19.172 ( -0.292 1.402 -0.077) 1.434 19.217 ( -0.292 -0.119 -0.080) 0.326 41.807 ( 0.097 0.604 -0.027) 0.612 41.838 ( -0.180 -0.065 -0.024) 0.193 66.022 ( 0.301 1.530 -0.781) 1.744 66.601 ( 6.641 -16.152 -0.128) 17.464 ======================= Grid point 238 (125/192) ======================= q-point: ( 0.44 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.928 ( 2.087 4.640 -2.381) 5.618 2.048 ( 4.916 0.914 -2.279) 5.495 2.346 ( 4.850 3.182 2.225) 6.213 2.620 ( -13.524 3.360 2.234) 14.113 2.885 ( 9.492 -2.989 -4.263) 10.826 3.131 ( -5.108 -2.713 -4.159) 7.124 3.452 ( 1.696 -0.771 4.642) 5.002 3.665 ( 1.741 -4.423 -1.380) 4.949 3.756 ( -3.298 -0.992 1.775) 3.874 4.094 ( -1.846 5.994 -1.981) 6.577 4.182 ( 0.771 -7.234 4.219) 8.410 4.574 ( -0.675 -2.961 4.978) 5.831 4.606 ( -2.817 0.321 -1.249) 3.098 4.729 ( 2.672 -6.318 0.260) 6.865 5.071 ( 0.816 4.295 -2.918) 5.256 5.249 ( -0.842 1.883 2.283) 3.077 5.348 ( 1.261 3.668 1.036) 4.015 5.399 ( -0.998 -1.242 -2.754) 3.181 5.654 ( 0.109 -5.355 -0.392) 5.370 5.865 ( -1.928 -6.652 -1.682) 7.127 6.850 ( 3.694 10.449 -0.365) 11.088 7.100 ( 3.545 2.691 0.556) 4.485 18.736 ( 0.000 0.386 0.060) 0.390 18.785 ( -0.050 -1.123 0.023) 1.124 19.168 ( -0.085 1.386 -0.053) 1.390 19.212 ( -0.113 -0.144 -0.081) 0.200 41.816 ( 0.579 0.417 -0.048) 0.715 41.833 ( -0.307 0.000 -0.012) 0.307 66.017 ( -0.296 1.836 -0.856) 2.047 66.694 ( 2.796 -18.727 -0.072) 18.935 ======================= Grid point 239 (126/192) ======================= q-point: (-0.44 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.890 ( -3.126 5.420 -2.072) 6.591 2.121 ( 1.103 -1.759 -2.559) 3.296 2.391 ( -9.604 4.693 0.598) 10.706 2.492 ( 7.780 -2.421 3.854) 9.013 2.967 ( -4.883 -0.148 -4.884) 6.908 3.022 ( 2.290 -0.407 -2.792) 3.634 3.501 ( 1.189 -2.353 4.292) 5.037 3.676 ( 0.262 -6.584 -1.736) 6.814 3.754 ( 2.049 3.579 2.634) 4.894 4.091 ( 1.939 6.488 -1.322) 6.899 4.205 ( 0.031 -7.665 2.177) 7.968 4.507 ( -5.502 -1.479 2.561) 6.246 4.610 ( 1.847 -0.940 2.527) 3.268 4.794 ( 2.725 -7.669 -0.303) 8.145 5.064 ( 0.778 3.913 -3.057) 5.026 5.267 ( 0.490 2.543 2.713) 3.750 5.371 ( -0.280 -1.687 -4.046) 4.393 5.378 ( 1.149 5.041 1.509) 5.386 5.651 ( -0.191 -5.607 0.125) 5.612 5.818 ( -2.023 -7.057 -1.590) 7.511 6.868 ( -1.718 10.124 -0.577) 10.285 7.107 ( -3.004 2.873 0.485) 4.185 18.737 ( 0.103 0.387 0.046) 0.403 18.785 ( 0.017 -1.112 0.026) 1.113 19.168 ( 0.131 1.384 -0.055) 1.391 19.212 ( 0.101 -0.140 -0.076) 0.189 41.819 ( -0.355 0.310 -0.092) 0.480 41.833 ( 0.354 0.002 0.002) 0.354 66.006 ( -0.511 2.396 -0.709) 2.550 66.712 ( -0.943 -19.397 -0.294) 19.422 ======================= Grid point 240 (127/192) ======================= q-point: (-0.33 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.815 ( -3.660 6.431 -0.150) 7.402 2.067 ( -5.180 -0.602 0.024) 5.214 2.247 ( -4.022 3.131 -6.204) 8.029 2.537 ( -6.834 -7.260 0.226) 9.973 2.956 ( 8.921 8.656 -1.886) 12.573 3.060 ( 0.718 2.434 3.286) 4.152 3.482 ( -5.738 -0.813 3.488) 6.763 3.680 ( 0.732 -4.858 -1.104) 5.035 3.850 ( 6.640 4.734 2.889) 8.651 4.145 ( 3.867 4.876 -2.736) 6.798 4.219 ( 1.123 -6.673 -0.632) 6.796 4.420 ( -3.896 -1.147 3.046) 5.077 4.642 ( -1.300 -2.346 0.600) 2.749 4.812 ( -0.704 -10.170 1.508) 10.305 5.108 ( 5.489 3.023 -3.721) 7.288 5.283 ( 0.044 4.723 3.309) 5.767 5.344 ( -0.964 -2.276 -3.068) 3.940 5.414 ( 2.458 3.040 -0.371) 3.927 5.654 ( 0.255 -4.475 -0.279) 4.491 5.779 ( -1.121 -7.420 0.583) 7.527 6.780 ( -6.581 8.227 -1.094) 10.592 6.989 ( -8.815 2.276 0.508) 9.118 18.740 ( 0.164 0.365 0.002) 0.400 18.786 ( 0.078 -1.106 0.041) 1.109 19.173 ( 0.358 1.388 -0.088) 1.436 19.215 ( 0.264 -0.099 -0.062) 0.289 41.812 ( -0.078 0.421 -0.084) 0.437 41.839 ( 0.243 -0.118 -0.031) 0.272 65.992 ( -0.628 2.950 -0.422) 3.045 66.649 ( -5.419 -17.984 -0.705) 18.796 ======================= Grid point 241 (128/192) ======================= q-point: (-0.22 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.745 ( -3.456 8.199 0.557) 8.915 1.958 ( -5.894 4.881 3.692) 8.497 2.149 ( -2.819 -1.278 -11.756) 12.156 2.346 ( -8.837 -1.679 -3.528) 9.662 3.081 ( -1.074 10.979 6.746) 12.931 3.183 ( 11.156 6.966 1.750) 13.268 3.342 ( -7.240 0.486 3.376) 8.004 3.692 ( 0.681 -4.554 -1.100) 4.734 4.023 ( 7.890 3.225 2.432) 8.864 4.158 ( -2.795 0.693 -0.775) 2.982 4.260 ( 4.013 -3.416 -5.461) 7.589 4.388 ( 0.087 0.548 2.779) 2.834 4.515 ( -9.269 -4.738 -3.274) 10.913 4.829 ( 1.276 -9.235 5.508) 10.828 5.207 ( 2.064 1.546 -3.699) 4.509 5.289 ( -2.012 4.146 -0.644) 4.653 5.337 ( 5.253 -2.463 0.626) 5.835 5.498 ( 6.286 0.055 -0.996) 6.365 5.636 ( -0.999 -2.630 -1.153) 3.040 5.809 ( 3.153 -6.166 3.389) 7.710 6.601 ( -10.762 5.618 -1.877) 12.285 6.776 ( -12.304 0.749 0.589) 12.341 18.743 ( 0.186 0.312 -0.031) 0.365 18.788 ( 0.082 -1.099 0.044) 1.103 19.181 ( 0.531 1.342 -0.165) 1.453 19.221 ( 0.319 -0.036 -0.028) 0.322 41.819 ( 0.823 0.365 -0.048) 0.902 41.843 ( 0.223 -0.063 -0.060) 0.240 65.979 ( -0.514 3.133 -0.123) 3.177 66.490 ( -9.875 -13.799 -0.866) 16.990 ======================= Grid point 242 (129/192) ======================= q-point: (-0.11 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.686 ( -2.448 11.104 -0.164) 11.372 1.863 ( -5.329 10.239 3.780) 12.146 2.031 ( -3.984 -0.307 -7.601) 8.588 2.217 ( -1.204 -1.105 -9.471) 9.611 3.055 ( -3.691 17.450 7.247) 19.252 3.288 ( -0.107 -1.459 5.588) 5.776 3.370 ( 5.981 6.813 1.768) 9.236 3.693 ( -0.207 -4.914 -1.614) 5.177 4.000 ( -7.068 -0.899 -0.411) 7.136 4.143 ( -1.660 -3.462 0.542) 3.877 4.281 ( 0.156 -2.056 -3.689) 4.226 4.356 ( -3.045 -1.933 -2.205) 4.227 4.508 ( 11.161 4.660 -0.607) 12.111 4.885 ( 1.060 -5.533 3.978) 6.897 5.145 ( -6.500 1.543 0.190) 6.683 5.200 ( -4.225 -2.240 -1.747) 5.091 5.519 ( 8.129 -3.493 -0.464) 8.859 5.568 ( 2.427 -1.724 0.801) 3.083 5.735 ( 11.394 1.058 -0.367) 11.449 5.906 ( 4.950 -3.937 1.692) 6.547 6.340 ( -14.214 3.596 -2.106) 14.812 6.528 ( -12.133 -1.970 0.458) 12.300 18.747 ( 0.139 0.215 -0.027) 0.257 18.789 ( 0.018 -1.072 0.022) 1.072 19.191 ( 0.437 1.229 -0.275) 1.333 19.227 ( 0.261 0.005 0.015) 0.261 41.840 ( 0.965 0.075 -0.046) 0.969 41.849 ( 0.378 0.044 -0.056) 0.384 65.977 ( 0.494 2.653 0.156) 2.703 66.278 ( -9.958 -7.353 -0.454) 12.386 ======================= Grid point 243 (130/192) ======================= q-point: ( 0.00 0.45 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.869 ( 0.373 8.498 -3.228) 9.098 1.976 ( -0.447 -0.328 -3.670) 3.712 2.022 ( 2.817 6.003 0.543) 6.654 2.143 ( 2.425 -4.345 -4.712) 6.853 3.227 ( -2.851 6.638 2.704) 7.714 3.335 ( 0.194 -3.194 3.900) 5.045 3.512 ( -0.422 4.537 0.218) 4.562 3.596 ( -2.017 -3.066 0.144) 3.673 3.935 ( 1.685 2.205 -0.812) 2.892 4.008 ( 1.331 -4.574 -0.217) 4.769 4.271 ( -1.443 2.682 0.994) 3.204 4.315 ( -1.262 -1.284 0.033) 1.801 4.805 ( 2.202 3.187 -1.187) 4.051 4.871 ( 3.079 -1.989 -0.993) 3.798 4.980 ( -7.194 2.146 2.167) 7.814 5.058 ( -0.477 -4.766 -0.118) 4.792 5.578 ( 2.474 1.446 0.918) 3.009 5.625 ( 4.304 -3.249 0.705) 5.438 5.959 ( -0.482 0.885 -0.507) 1.128 5.976 ( 6.113 -0.760 -0.955) 6.233 6.152 ( -3.597 3.331 -1.117) 5.029 6.236 ( -5.008 -4.743 -0.213) 6.901 18.755 ( -0.030 0.560 -0.062) 0.564 18.770 ( -0.021 -0.867 -0.021) 0.867 19.214 ( 0.023 0.799 -0.173) 0.818 19.226 ( 0.048 -0.396 -0.070) 0.405 41.850 ( 0.004 0.125 -0.085) 0.151 41.853 ( 0.012 -0.139 -0.082) 0.162 66.037 ( 0.077 2.336 0.178) 2.344 66.090 ( -0.386 -2.841 0.011) 2.867 ======================= Grid point 244 (131/192) ======================= q-point: ( 0.11 0.45 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.865 ( 0.835 9.173 -3.066) 9.708 1.972 ( 1.375 -0.035 -2.989) 3.290 2.127 ( 6.970 4.585 -1.495) 8.476 2.224 ( 7.271 -3.769 -3.744) 9.005 3.208 ( -0.114 7.637 4.473) 8.851 3.360 ( 1.264 -6.389 3.296) 7.299 3.455 ( -5.912 4.160 1.532) 7.389 3.515 ( -5.416 -2.602 -1.082) 6.106 4.058 ( 8.399 0.773 -1.212) 8.521 4.093 ( 4.278 -1.995 0.569) 4.754 4.237 ( -0.908 1.975 -1.117) 2.444 4.273 ( -1.119 -1.297 0.131) 1.718 4.665 ( -9.658 4.742 0.663) 10.780 4.773 ( -7.966 -5.688 3.235) 10.309 5.058 ( 6.663 2.624 -0.719) 7.197 5.119 ( 4.127 -3.573 -1.930) 5.790 5.596 ( -1.751 2.235 -1.314) 3.129 5.657 ( -2.581 -3.519 -1.425) 4.591 5.768 ( -9.483 4.535 0.816) 10.543 5.872 ( -7.692 -5.334 1.157) 9.432 6.346 ( 14.578 2.749 -0.906) 14.863 6.400 ( 14.927 -2.551 0.210) 15.145 18.753 ( -0.129 0.600 -0.044) 0.616 18.769 ( -0.075 -0.903 -0.007) 0.906 19.211 ( -0.276 0.871 -0.149) 0.926 19.224 ( -0.223 -0.449 -0.085) 0.508 41.842 ( -0.708 0.249 -0.070) 0.754 41.847 ( -0.439 -0.176 -0.078) 0.479 66.049 ( 1.235 3.362 0.038) 3.582 66.133 ( 4.041 -4.830 0.038) 6.298 ======================= Grid point 245 (132/192) ======================= q-point: ( 0.22 0.45 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.885 ( 2.517 8.303 -2.972) 9.171 1.994 ( 2.005 -1.925 -3.816) 4.720 2.263 ( 6.895 6.052 -1.270) 9.262 2.382 ( 9.068 -5.108 -2.229) 10.644 3.254 ( -1.771 7.929 4.269) 9.177 3.294 ( -7.531 4.492 4.118) 9.688 3.373 ( -5.205 -2.771 -1.389) 6.058 3.435 ( 3.283 -8.462 0.253) 9.080 4.025 ( -7.338 3.004 1.202) 8.019 4.092 ( -5.264 -3.378 1.636) 6.465 4.344 ( 8.984 1.028 -2.981) 9.521 4.376 ( 8.622 -1.800 -2.560) 9.173 4.521 ( -4.024 5.618 2.582) 7.377 4.652 ( -5.515 -6.860 3.814) 9.593 5.139 ( 1.330 1.810 -0.923) 2.428 5.181 ( 3.327 -2.229 -1.347) 4.225 5.477 ( -6.565 1.848 -2.142) 7.148 5.522 ( -7.218 -1.907 -1.869) 7.696 5.687 ( -1.581 4.007 0.556) 4.343 5.799 ( -1.714 -6.394 1.169) 6.722 6.636 ( 14.072 4.597 -0.338) 14.807 6.707 ( 14.714 -2.330 0.323) 14.901 18.750 ( -0.148 0.670 -0.011) 0.686 18.767 ( -0.099 -0.958 0.010) 0.963 19.203 ( -0.386 0.937 -0.116) 1.020 19.218 ( -0.360 -0.485 -0.092) 0.611 41.827 ( -0.608 0.596 -0.054) 0.853 41.838 ( -0.367 -0.397 -0.070) 0.545 66.081 ( 1.729 5.308 -0.126) 5.584 66.226 ( 4.776 -8.838 -0.031) 10.046 ======================= Grid point 246 (133/192) ======================= q-point: ( 0.33 0.45 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.943 ( 4.404 5.581 -2.681) 7.599 2.018 ( 2.058 -1.609 -4.143) 4.898 2.377 ( 4.158 7.115 0.929) 8.294 2.537 ( 5.869 -8.277 0.070) 10.146 3.047 ( -10.147 7.495 -2.326) 12.828 3.177 ( -7.587 -4.789 -2.782) 9.393 3.410 ( 4.220 3.926 4.008) 7.020 3.517 ( 3.194 -6.001 1.533) 6.969 3.887 ( -6.109 4.236 1.797) 7.649 3.999 ( -3.449 -6.394 1.514) 7.421 4.352 ( -4.305 7.572 1.643) 8.864 4.488 ( 0.326 -4.328 3.818) 5.781 4.574 ( 4.323 -0.716 -2.608) 5.099 4.606 ( 1.488 -3.625 0.535) 3.955 5.149 ( 1.338 4.629 -1.040) 4.929 5.235 ( 1.873 -3.605 1.094) 4.207 5.374 ( -2.769 1.562 -1.799) 3.653 5.414 ( -2.824 -1.861 -1.352) 3.642 5.660 ( -1.334 3.781 -0.889) 4.107 5.770 ( -1.546 -6.426 -0.601) 6.636 6.881 ( 10.120 5.902 -0.056) 11.715 6.963 ( 10.360 -2.085 0.317) 10.573 18.748 ( -0.089 0.712 0.023) 0.718 18.765 ( -0.082 -0.983 0.020) 0.987 19.196 ( -0.298 0.951 -0.090) 1.000 19.210 ( -0.304 -0.494 -0.091) 0.588 41.821 ( 0.004 0.683 -0.056) 0.685 41.833 ( -0.111 -0.449 -0.060) 0.466 66.108 ( 1.008 7.064 -0.218) 7.138 66.307 ( 3.241 -12.352 -0.039) 12.771 ======================= Grid point 247 (134/192) ======================= q-point: ( 0.44 0.45 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.010 ( 1.904 3.169 -2.888) 4.692 2.051 ( 3.133 -0.814 -2.464) 4.068 2.424 ( 0.193 4.994 2.385) 5.538 2.551 ( -5.449 -6.822 2.897) 9.199 2.941 ( 1.839 5.732 -5.264) 7.997 3.055 ( -2.532 -4.933 -5.675) 7.934 3.466 ( 0.173 2.624 2.323) 3.509 3.552 ( 0.102 -5.473 -0.127) 5.475 3.827 ( -0.413 6.524 2.502) 6.999 3.987 ( 1.079 -8.623 1.916) 8.899 4.281 ( -3.315 8.843 3.669) 10.131 4.456 ( -3.410 -7.875 5.846) 10.384 4.622 ( 0.723 0.888 -0.709) 1.347 4.648 ( 2.200 -1.990 -1.062) 3.151 5.172 ( 0.721 5.118 -2.892) 5.923 5.255 ( 0.170 -2.089 0.753) 2.227 5.360 ( 1.062 0.328 -1.746) 2.070 5.392 ( 0.843 -1.350 1.575) 2.239 5.627 ( -1.352 2.993 -1.728) 3.711 5.731 ( -1.854 -6.296 -1.790) 6.803 7.024 ( 4.023 6.459 -0.060) 7.609 7.109 ( 3.976 -1.855 0.235) 4.393 18.747 ( -0.001 0.706 0.040) 0.707 18.764 ( -0.028 -0.967 0.021) 0.968 19.191 ( -0.097 0.934 -0.077) 0.942 19.206 ( -0.111 -0.488 -0.088) 0.508 41.825 ( 0.273 0.421 -0.066) 0.506 41.831 ( -0.077 -0.219 -0.056) 0.239 66.119 ( 0.236 8.263 -0.242) 8.269 66.352 ( 1.292 -14.445 -0.037) 14.502 ======================= Grid point 248 (135/192) ======================= q-point: (-0.44 0.45 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.991 ( -2.253 4.542 -2.347) 5.587 2.072 ( -1.137 -3.257 -2.190) 4.086 2.430 ( -5.086 0.014 0.791) 5.147 2.440 ( -0.261 -1.421 2.807) 3.157 2.988 ( 2.798 2.183 -3.506) 4.988 3.027 ( 2.472 -0.718 -4.197) 4.923 3.481 ( 1.049 1.261 1.261) 2.069 3.552 ( 0.873 -5.219 -0.904) 5.368 3.871 ( 3.060 7.112 2.298) 8.076 4.028 ( 2.176 -8.122 0.683) 8.437 4.260 ( -0.533 8.427 4.227) 9.443 4.424 ( -2.477 -6.828 5.977) 9.407 4.615 ( -0.679 1.596 0.107) 1.738 4.671 ( 0.019 -4.115 -0.945) 4.222 5.161 ( 0.351 5.133 -3.515) 6.231 5.256 ( 0.128 -3.635 -1.268) 3.852 5.381 ( 1.227 2.889 0.439) 3.169 5.435 ( 1.715 -0.810 2.400) 3.059 5.595 ( -0.947 1.434 -1.804) 2.491 5.683 ( -2.061 -5.981 -2.234) 6.708 7.036 ( -2.670 6.291 -0.207) 6.837 7.119 ( -3.024 -1.749 0.125) 3.495 18.748 ( 0.079 0.673 0.030) 0.678 18.764 ( 0.042 -0.932 0.018) 0.933 19.192 ( 0.135 0.922 -0.078) 0.935 19.206 ( 0.124 -0.474 -0.085) 0.497 41.826 ( -0.161 0.338 -0.083) 0.384 41.831 ( 0.133 -0.168 -0.053) 0.221 66.117 ( -0.303 8.704 -0.220) 8.712 66.359 ( -0.568 -14.902 -0.120) 14.914 ======================= Grid point 249 (136/192) ======================= q-point: (-0.33 0.45 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.924 ( -3.003 4.471 -1.704) 5.649 2.008 ( -3.161 -3.903 -2.948) 5.824 2.328 ( -5.256 4.046 -0.722) 6.673 2.414 ( -4.313 -4.823 0.440) 6.485 3.071 ( 7.086 3.583 -0.236) 7.944 3.108 ( 6.062 0.643 0.606) 6.126 3.489 ( -1.595 2.391 0.934) 3.022 3.574 ( 1.210 -5.213 -1.266) 5.499 3.965 ( 5.795 5.984 1.530) 8.470 4.086 ( 3.859 -5.989 -0.853) 7.176 4.279 ( 0.408 7.270 2.297) 7.635 4.394 ( -2.610 -2.727 4.088) 5.564 4.597 ( -3.034 -1.565 0.617) 3.469 4.629 ( -2.698 -6.089 0.520) 6.680 5.182 ( 3.446 3.891 -3.656) 6.355 5.260 ( 1.127 -3.668 -2.488) 4.573 5.406 ( 0.685 4.896 2.003) 5.334 5.460 ( 0.194 0.559 -0.110) 0.602 5.589 ( 0.991 -1.174 -0.595) 1.647 5.641 ( -0.934 -5.619 -0.195) 5.700 6.921 ( -8.573 5.402 -0.512) 10.146 6.994 ( -9.262 -1.728 -0.025) 9.422 18.750 ( 0.130 0.638 -0.004) 0.651 18.766 ( 0.098 -0.903 0.013) 0.908 19.196 ( 0.341 0.911 -0.093) 0.977 19.210 ( 0.313 -0.450 -0.082) 0.554 41.823 ( 0.023 0.583 -0.078) 0.589 41.834 ( 0.157 -0.417 -0.067) 0.451 66.104 ( -1.007 8.175 -0.165) 8.239 66.326 ( -2.809 -13.530 -0.250) 13.821 ======================= Grid point 250 (137/192) ======================= q-point: (-0.22 0.45 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.875 ( -1.038 4.847 -1.611) 5.212 1.956 ( -0.428 -3.139 -2.910) 4.302 2.205 ( -6.388 4.856 -2.054) 8.283 2.293 ( -6.661 -3.499 -1.462) 7.665 3.209 ( 5.001 4.110 5.201) 8.303 3.271 ( 7.051 -0.991 3.870) 8.104 3.427 ( -2.875 8.029 -1.376) 8.639 3.581 ( 0.529 -6.493 -2.393) 6.940 4.088 ( 3.613 2.944 1.924) 5.042 4.140 ( -0.673 -2.188 0.626) 2.373 4.268 ( -0.224 3.775 -4.535) 5.905 4.363 ( -2.091 -4.448 -2.519) 5.522 4.496 ( -2.016 4.573 3.589) 6.153 4.642 ( 2.090 -8.755 5.838) 10.728 5.234 ( 0.586 1.153 -3.851) 4.063 5.263 ( -0.232 -1.946 -2.716) 3.349 5.413 ( 0.771 4.600 0.266) 4.672 5.478 ( 2.356 -1.978 -1.406) 3.382 5.620 ( 3.627 1.283 0.518) 3.882 5.690 ( 4.682 -5.182 3.117) 7.648 6.701 ( -12.891 4.099 -1.030) 13.566 6.763 ( -13.456 -1.907 -0.260) 13.593 18.753 ( 0.136 0.606 -0.041) 0.623 18.768 ( 0.105 -0.885 0.000) 0.891 19.204 ( 0.443 0.868 -0.124) 0.983 19.217 ( 0.380 -0.409 -0.074) 0.564 41.829 ( 0.592 0.526 -0.070) 0.795 41.839 ( 0.380 -0.383 -0.077) 0.545 66.076 ( -1.645 6.536 -0.073) 6.741 66.246 ( -4.868 -10.177 -0.267) 11.284 ======================= Grid point 251 (138/192) ======================= q-point: (-0.11 0.45 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.867 ( 0.821 6.793 -2.566) 7.308 1.963 ( 1.828 -2.096 -2.455) 3.710 2.072 ( -5.616 5.809 -1.660) 8.249 2.173 ( -3.706 -3.515 -3.059) 5.953 3.285 ( -3.361 3.050 2.379) 5.124 3.302 ( 1.094 2.853 6.405) 7.096 3.472 ( 4.522 5.410 -0.758) 7.091 3.594 ( 1.510 -5.265 -1.258) 5.620 4.010 ( -7.569 1.818 0.014) 7.784 4.068 ( -5.901 -3.602 0.474) 6.929 4.280 ( 1.059 1.543 -2.153) 2.853 4.319 ( 0.453 -1.873 -2.217) 2.938 4.622 ( 10.250 6.236 1.887) 12.146 4.757 ( 6.574 -6.806 3.999) 10.273 5.154 ( -6.074 0.038 -1.710) 6.310 5.167 ( -8.093 -1.157 -1.223) 8.267 5.497 ( 5.965 0.939 -0.514) 6.060 5.531 ( 3.443 -1.928 0.115) 3.948 5.766 ( 10.184 2.180 0.359) 10.421 5.826 ( 7.810 -3.652 1.411) 8.737 6.412 ( -15.150 3.407 -1.430) 15.594 6.477 ( -14.477 -2.944 -0.606) 14.785 18.755 ( 0.080 0.573 -0.062) 0.582 18.769 ( 0.053 -0.869 -0.016) 0.871 19.211 ( 0.333 0.803 -0.161) 0.885 19.223 ( 0.285 -0.376 -0.065) 0.476 41.843 ( 0.701 0.214 -0.077) 0.737 41.847 ( 0.453 -0.164 -0.081) 0.488 66.046 ( -1.158 4.141 0.067) 4.300 66.146 ( -4.567 -5.689 -0.108) 7.296 ======================= Grid point 297 (139/192) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.003 ( 1.271 0.000 10.985) 11.059 1.265 ( 2.361 0.000 17.549) 17.707 1.481 ( -1.654 0.000 -7.763) 7.937 1.631 ( -1.946 0.000 -13.515) 13.655 1.962 ( -2.208 0.000 27.174) 27.264 2.566 ( 2.359 0.000 -22.793) 22.915 3.738 ( 4.003 0.000 0.466) 4.030 3.898 ( 0.018 0.000 -2.433) 2.433 3.940 ( 0.101 0.000 0.129) 0.164 4.342 ( -1.879 0.000 2.004) 2.747 4.396 ( 0.714 0.000 -3.258) 3.335 4.577 ( 0.447 0.000 0.907) 1.011 4.799 ( -0.589 0.000 -0.307) 0.665 4.820 ( 0.039 0.000 3.242) 3.242 4.934 ( -1.578 0.000 0.126) 1.583 5.254 ( -0.001 0.000 -1.153) 1.153 5.496 ( -1.137 0.000 4.370) 4.516 5.702 ( -0.015 0.000 -4.522) 4.522 5.916 ( -0.167 0.000 -0.131) 0.212 6.071 ( 0.119 0.000 0.182) 0.218 6.166 ( -1.421 0.000 2.339) 2.737 6.672 ( 0.876 0.000 -0.979) 1.314 18.813 ( 0.226 0.000 -0.033) 0.228 18.859 ( 0.009 0.000 0.007) 0.011 19.064 ( 0.002 0.000 0.050) 0.050 19.202 ( -0.012 0.000 -0.044) 0.046 41.839 ( -0.004 0.000 0.024) 0.025 41.871 ( -0.083 0.000 0.059) 0.102 65.949 ( 0.864 0.000 0.328) 0.924 66.337 ( -3.880 0.000 -0.223) 3.886 ======================= Grid point 298 (140/192) ======================= q-point: ( 0.11 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.269 ( 18.179 0.000 5.045) 18.866 1.425 ( 7.019 0.000 8.116) 10.730 1.598 ( 3.621 0.000 -6.863) 7.760 1.602 ( 11.213 0.000 -0.177) 11.215 2.139 ( 11.579 0.000 18.784) 22.067 2.565 ( 7.358 0.000 -19.539) 20.878 3.797 ( -2.122 0.000 -7.844) 8.126 3.866 ( -2.254 0.000 -1.494) 2.704 3.952 ( 1.021 0.000 -0.081) 1.024 4.108 ( -8.558 0.000 2.926) 9.045 4.409 ( 3.485 0.000 -0.278) 3.496 4.774 ( 4.669 0.000 -3.127) 5.619 4.823 ( -0.773 0.000 1.744) 1.908 4.830 ( 7.650 0.000 3.463) 8.397 4.950 ( 1.007 0.000 3.534) 3.674 5.222 ( -2.726 0.000 -0.617) 2.795 5.565 ( -2.618 0.000 5.457) 6.052 5.636 ( 2.759 0.000 -3.678) 4.598 5.890 ( -1.961 0.000 0.155) 1.967 6.104 ( 2.702 0.000 -0.069) 2.703 6.127 ( -3.103 0.000 2.275) 3.848 6.671 ( -0.308 0.000 -1.635) 1.664 18.795 ( -1.535 0.000 -0.276) 1.560 18.863 ( 0.174 0.000 0.040) 0.178 19.064 ( -0.037 0.000 0.025) 0.045 19.202 ( 0.048 0.000 0.001) 0.048 41.830 ( -0.861 0.000 0.055) 0.863 41.849 ( -1.644 0.000 0.280) 1.668 65.970 ( 4.208 0.000 -2.697) 4.998 66.666 ( 27.949 0.000 4.244) 28.270 ======================= Grid point 299 (141/192) ======================= q-point: ( 0.22 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.565 ( 7.919 0.000 -9.177) 12.121 1.619 ( 12.746 0.000 2.777) 13.045 1.731 ( 7.714 0.000 8.738) 11.656 1.777 ( 5.379 0.000 1.487) 5.580 2.561 ( 21.738 0.000 10.614) 24.191 2.759 ( 20.045 0.000 -13.037) 23.911 3.588 ( -10.307 0.000 -6.060) 11.957 3.801 ( -3.615 0.000 -0.754) 3.693 3.979 ( 1.643 0.000 0.061) 1.644 4.079 ( -0.543 0.000 -0.156) 0.565 4.509 ( 7.538 0.000 -2.858) 8.062 4.802 ( -1.840 0.000 -0.161) 1.847 4.857 ( 4.654 0.000 -1.424) 4.867 4.911 ( -0.922 0.000 -0.493) 1.045 5.030 ( 3.973 0.000 9.383) 10.190 5.152 ( -3.876 0.000 0.356) 3.892 5.387 ( -10.409 0.000 0.068) 10.410 5.749 ( 0.671 0.000 4.028) 4.083 5.853 ( -1.667 0.000 0.182) 1.677 6.099 ( 1.405 0.000 -0.543) 1.506 6.161 ( 2.735 0.000 -0.134) 2.739 6.651 ( -0.927 0.000 -1.961) 2.169 18.763 ( -1.310 0.000 -0.278) 1.339 18.864 ( -0.088 0.000 0.132) 0.159 19.063 ( -0.060 0.000 0.005) 0.060 19.204 ( 0.086 0.000 0.038) 0.094 41.810 ( -0.856 0.000 0.482) 0.983 41.830 ( -0.394 0.000 0.210) 0.446 66.068 ( 6.100 0.000 -5.124) 7.967 67.252 ( 25.432 0.000 5.588) 26.039 ======================= Grid point 300 (142/192) ======================= q-point: ( 0.33 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.687 ( 7.511 0.000 -8.476) 11.325 1.749 ( 1.912 0.000 -9.202) 9.399 1.881 ( 4.189 0.000 9.507) 10.389 1.909 ( 5.856 0.000 7.744) 9.709 3.013 ( 19.398 0.000 7.293) 20.723 3.169 ( 18.908 0.000 -4.880) 19.527 3.426 ( -1.568 0.000 -7.098) 7.269 3.728 ( -3.198 0.000 -0.346) 3.217 4.017 ( 2.051 0.000 0.435) 2.097 4.047 ( -1.650 0.000 -1.014) 1.937 4.667 ( 8.121 0.000 -2.912) 8.628 4.746 ( -3.271 0.000 -1.776) 3.722 4.846 ( -3.722 0.000 1.085) 3.877 4.931 ( 2.485 0.000 -1.313) 2.811 5.087 ( -2.629 0.000 1.367) 2.963 5.091 ( -2.311 0.000 2.559) 3.448 5.240 ( -2.720 0.000 2.778) 3.888 5.665 ( -9.146 0.000 6.226) 11.064 5.827 ( -0.961 0.000 0.079) 0.964 6.168 ( 4.200 0.000 -1.392) 4.424 6.206 ( 1.830 0.000 -0.117) 1.834 6.621 ( -1.188 0.000 -2.092) 2.406 18.743 ( -0.669 0.000 -0.163) 0.689 18.862 ( -0.121 0.000 0.135) 0.181 19.062 ( -0.056 0.000 0.001) 0.056 19.206 ( 0.084 0.000 0.048) 0.097 41.806 ( 0.173 0.000 0.433) 0.466 41.830 ( 0.214 0.000 0.339) 0.401 66.147 ( 3.686 0.000 -4.925) 6.152 67.665 ( 13.913 0.000 4.393) 14.590 ======================= Grid point 301 (143/192) ======================= q-point: ( 0.44 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.693 ( -3.533 0.000 -4.444) 5.678 1.762 ( 1.528 0.000 -3.089) 3.446 2.005 ( 5.364 0.000 2.753) 6.029 2.018 ( 3.101 0.000 3.128) 4.405 3.276 ( -0.201 0.000 -1.615) 1.627 3.344 ( 9.336 0.000 4.907) 10.547 3.524 ( 5.207 0.000 -3.816) 6.456 3.684 ( -0.725 0.000 -0.719) 1.021 4.027 ( 0.261 0.000 -2.004) 2.021 4.059 ( 1.723 0.000 0.125) 1.727 4.670 ( -3.191 0.000 -0.840) 3.300 4.749 ( 0.544 0.000 1.313) 1.422 4.817 ( 0.761 0.000 -0.625) 0.985 4.933 ( -2.833 0.000 0.530) 2.882 5.025 ( -1.752 0.000 -1.887) 2.575 5.063 ( -0.446 0.000 1.109) 1.195 5.281 ( 3.686 0.000 1.936) 4.163 5.522 ( -4.418 0.000 3.506) 5.640 5.816 ( -0.229 0.000 -0.090) 0.246 6.219 ( 1.119 0.000 -0.490) 1.222 6.231 ( 0.604 0.000 -0.051) 0.606 6.589 ( -1.359 0.000 -0.845) 1.600 18.734 ( -0.213 0.000 -0.044) 0.218 18.861 ( -0.048 0.000 0.098) 0.109 19.061 ( -0.031 0.000 0.011) 0.033 19.207 ( 0.045 0.000 0.029) 0.054 41.814 ( 0.278 0.000 0.132) 0.308 41.838 ( 0.364 0.000 0.218) 0.424 66.173 ( 0.623 0.000 -3.137) 3.198 67.862 ( 5.267 0.000 1.452) 5.463 ======================= Grid point 302 (144/192) ======================= q-point: (-0.44 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.597 ( -5.871 0.000 4.922) 7.661 1.703 ( -7.246 0.000 3.006) 7.845 2.062 ( 0.770 0.000 -1.413) 1.609 2.107 ( 5.376 0.000 -7.283) 9.052 3.281 ( 1.814 0.000 -1.958) 2.669 3.383 ( -7.235 0.000 1.470) 7.383 3.439 ( -13.571 0.000 4.286) 14.232 3.696 ( 2.323 0.000 -1.778) 2.925 4.030 ( 1.109 0.000 -2.471) 2.708 4.073 ( -0.199 0.000 -1.565) 1.577 4.635 ( -0.389 0.000 2.814) 2.840 4.733 ( -4.467 0.000 2.759) 5.251 4.801 ( -1.771 0.000 0.566) 1.859 4.909 ( 1.718 0.000 3.397) 3.807 5.013 ( 0.424 0.000 -0.388) 0.575 5.075 ( 1.386 0.000 -0.127) 1.392 5.302 ( -0.273 0.000 -0.529) 0.595 5.618 ( 11.924 0.000 -5.863) 13.288 5.817 ( 0.480 0.000 -0.270) 0.551 6.209 ( -2.100 0.000 0.475) 2.153 6.230 ( -0.702 0.000 0.048) 0.703 6.563 ( -1.256 0.000 1.809) 2.203 18.733 ( 0.092 0.000 0.065) 0.113 18.861 ( 0.053 0.000 0.060) 0.080 19.061 ( 0.003 0.000 0.031) 0.031 19.208 ( -0.012 0.000 -0.009) 0.015 41.816 ( 0.011 0.000 -0.104) 0.105 41.843 ( 0.098 0.000 -0.318) 0.332 66.148 ( -2.241 0.000 -0.652) 2.334 67.903 ( -0.902 0.000 -2.635) 2.785 ======================= Grid point 303 (145/192) ======================= q-point: (-0.33 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.507 ( -7.006 0.000 13.115) 14.869 1.526 ( -11.988 0.000 8.228) 14.540 2.029 ( -2.836 0.000 -4.944) 5.700 2.135 ( 1.055 0.000 -14.281) 14.320 3.025 ( -28.213 0.000 9.787) 29.862 3.128 ( -16.361 0.000 -3.788) 16.793 3.347 ( 4.803 0.000 0.537) 4.833 3.754 ( 4.127 0.000 -2.655) 4.907 4.040 ( -1.995 0.000 -2.383) 3.108 4.064 ( 3.219 0.000 -2.733) 4.222 4.590 ( -9.688 0.000 4.879) 10.847 4.674 ( 2.063 0.000 5.603) 5.971 4.823 ( 2.016 0.000 2.921) 3.549 4.900 ( -3.602 0.000 1.792) 4.023 5.111 ( 8.731 0.000 0.510) 8.745 5.115 ( 2.868 0.000 -1.278) 3.140 5.307 ( 0.758 0.000 -3.734) 3.810 5.821 ( 9.713 0.000 -9.479) 13.572 5.832 ( 1.148 0.000 -0.402) 1.217 6.144 ( -4.214 0.000 0.847) 4.299 6.204 ( -1.924 0.000 0.166) 1.931 6.562 ( 0.048 0.000 4.228) 4.228 18.739 ( 0.467 0.000 0.249) 0.530 18.863 ( 0.112 0.000 0.030) 0.116 19.061 ( 0.033 0.000 0.053) 0.063 19.207 ( -0.062 0.000 -0.051) 0.081 41.817 ( 0.268 0.000 -0.510) 0.576 41.838 ( -0.299 0.000 -0.596) 0.667 66.082 ( -4.489 0.000 1.626) 4.774 67.790 ( -8.884 0.000 -8.277) 12.142 ======================= Grid point 304 (146/192) ======================= q-point: (-0.22 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.329 ( -11.305 0.000 13.541) 17.640 1.400 ( -11.077 0.000 16.246) 19.663 1.915 ( -5.408 0.000 -8.690) 10.236 1.998 ( -9.301 0.000 -12.129) 15.285 2.461 ( -31.068 0.000 14.090) 34.114 2.811 ( -10.195 0.000 -11.623) 15.461 3.486 ( 8.074 0.000 4.086) 9.050 3.826 ( 4.065 0.000 -2.936) 5.014 3.989 ( -2.062 0.000 -1.501) 2.550 4.108 ( 1.555 0.000 -2.872) 3.266 4.449 ( -4.719 0.000 3.622) 5.948 4.742 ( 2.033 0.000 5.773) 6.121 4.791 ( -6.543 0.000 4.872) 8.157 4.890 ( 0.867 0.000 1.798) 1.996 5.175 ( 3.580 0.000 -1.704) 3.964 5.203 ( -2.403 0.000 -8.625) 8.953 5.373 ( 9.686 0.000 1.659) 9.827 5.843 ( -5.257 0.000 -4.711) 7.059 5.860 ( 1.748 0.000 -0.451) 1.805 6.114 ( 2.585 0.000 -3.110) 4.044 6.157 ( -2.810 0.000 0.281) 2.824 6.597 ( 1.534 0.000 3.990) 4.274 18.756 ( 1.117 0.000 0.529) 1.236 18.865 ( 0.034 0.000 0.017) 0.038 19.062 ( 0.047 0.000 0.068) 0.083 19.205 ( -0.083 0.000 -0.078) 0.114 41.824 ( 0.570 0.000 -0.936) 1.096 41.833 ( 0.334 0.000 -0.136) 0.360 65.992 ( -5.072 0.000 2.609) 5.704 67.443 ( -22.237 0.000 -14.123) 26.343 ======================= Grid point 305 (147/192) ======================= q-point: (-0.11 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.158 ( -17.589 0.000 13.119) 21.943 1.220 ( -5.476 0.000 17.738) 18.564 1.718 ( -13.911 0.000 -9.605) 16.905 1.761 ( -5.215 0.000 -12.137) 13.210 2.022 ( -17.218 0.000 24.691) 30.101 2.641 ( -1.207 0.000 -20.243) 20.279 3.660 ( 4.960 0.000 6.611) 8.265 3.882 ( 2.544 0.000 -2.862) 3.829 3.952 ( -1.211 0.000 -0.361) 1.264 4.151 ( 7.473 0.000 -1.601) 7.643 4.418 ( -1.240 0.000 -1.177) 1.710 4.688 ( -4.882 0.000 5.875) 7.639 4.794 ( 0.991 0.000 4.622) 4.728 4.870 ( -3.879 0.000 -0.367) 3.896 5.047 ( -7.751 0.000 -7.367) 10.693 5.232 ( 2.580 0.000 -1.518) 2.994 5.545 ( 1.465 0.000 4.169) 4.419 5.690 ( -2.646 0.000 -5.589) 6.184 5.896 ( 1.877 0.000 -0.396) 1.919 6.100 ( -2.686 0.000 0.344) 2.708 6.160 ( 1.893 0.000 -1.375) 2.340 6.644 ( 1.789 0.000 1.319) 2.223 18.787 ( 1.709 0.000 0.523) 1.788 18.863 ( -0.235 0.000 0.018) 0.236 19.063 ( 0.035 0.000 0.067) 0.076 19.203 ( -0.064 0.000 -0.076) 0.099 41.831 ( 0.575 0.000 -0.100) 0.584 41.854 ( 1.390 0.000 -0.177) 1.401 65.926 ( -1.501 0.000 1.731) 2.291 66.813 ( -32.351 0.000 -11.597) 34.367 ======================= Grid point 306 (148/192) ======================= q-point: ( 0.00 0.09 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.064 ( 0.992 5.794 10.567) 12.092 1.306 ( 0.412 3.907 17.842) 18.269 1.516 ( -2.953 3.564 -6.199) 7.736 1.688 ( 0.584 5.150 -15.891) 16.715 2.133 ( -1.068 15.216 22.728) 27.372 2.619 ( 1.712 5.627 -19.703) 20.562 3.679 ( 3.189 -4.269 0.881) 5.401 3.911 ( 0.157 0.893 -2.191) 2.371 3.980 ( -0.319 2.475 0.312) 2.515 4.362 ( -2.719 0.746 1.073) 3.017 4.407 ( 2.795 1.087 -2.178) 3.707 4.545 ( 2.433 -13.691 3.178) 14.264 4.584 ( -1.739 -0.780 0.212) 1.918 4.725 ( -2.819 -6.514 -1.927) 7.355 5.109 ( -1.312 6.588 0.154) 6.719 5.245 ( 1.640 -0.322 0.253) 1.690 5.556 ( -1.589 4.874 3.317) 6.106 5.727 ( 0.215 2.287 -3.914) 4.538 5.919 ( -0.399 0.250 -0.000) 0.471 6.066 ( 0.366 -0.544 0.143) 0.671 6.123 ( -0.851 -3.950 1.505) 4.312 6.642 ( 0.567 -2.740 -0.071) 2.799 18.799 ( 0.199 -1.198 0.125) 1.221 18.850 ( -0.063 -0.773 0.008) 0.775 19.083 ( 0.026 1.653 -0.141) 1.659 19.208 ( 0.011 0.504 -0.037) 0.506 41.840 ( -0.011 0.069 0.020) 0.072 41.870 ( -0.069 -0.152 0.051) 0.175 65.951 ( 0.822 0.204 0.319) 0.905 66.319 ( -3.138 -1.690 -0.137) 3.567 ======================= Grid point 307 (149/192) ======================= q-point: ( 0.11 0.09 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.306 ( 16.919 3.124 5.033) 17.926 1.436 ( 4.658 1.199 16.515) 17.201 1.562 ( 6.142 2.266 -8.762) 10.938 1.751 ( 11.686 8.158 -7.183) 15.959 2.276 ( 8.017 12.890 16.285) 22.263 2.614 ( 6.409 5.029 -16.831) 18.699 3.703 ( -2.451 -5.599 -4.400) 7.531 3.897 ( -0.959 1.094 -1.728) 2.259 4.020 ( 2.973 4.211 -1.049) 5.260 4.128 ( -12.052 2.261 1.850) 12.401 4.413 ( 3.303 0.111 -0.711) 3.381 4.590 ( 3.802 -14.111 3.087) 14.937 4.680 ( 2.280 -8.494 -2.266) 9.082 4.847 ( 9.488 1.719 2.589) 9.984 5.075 ( -2.633 4.875 1.872) 5.848 5.267 ( 0.879 2.991 -1.314) 3.383 5.573 ( -5.136 0.708 4.869) 7.112 5.638 ( -1.730 0.176 -1.780) 2.489 5.897 ( -0.076 0.056 -0.337) 0.350 6.105 ( -1.121 -0.486 1.528) 1.956 6.112 ( 2.568 -0.502 -0.832) 2.746 6.651 ( 0.535 -1.891 -0.735) 2.098 18.785 ( -1.265 -0.855 -0.195) 1.539 18.853 ( 0.183 -0.865 0.118) 0.892 19.081 ( -0.173 1.505 -0.075) 1.516 19.208 ( -0.024 0.455 -0.028) 0.457 41.832 ( -0.744 0.220 0.046) 0.777 41.847 ( -1.688 -0.184 0.250) 1.717 65.965 ( 3.432 -0.358 -2.371) 4.186 66.622 ( 25.804 -4.078 3.670) 26.381 ======================= Grid point 308 (150/192) ======================= q-point: ( 0.22 0.09 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.588 ( 6.697 1.506 -0.813) 6.912 1.646 ( 13.190 -0.485 -0.514) 13.209 1.682 ( 7.925 3.111 5.362) 10.061 1.940 ( 5.993 10.728 0.287) 12.292 2.609 ( 19.089 4.696 7.637) 21.090 2.787 ( 17.399 3.093 -10.275) 20.442 3.561 ( -7.756 -2.037 -3.977) 8.951 3.841 ( -3.818 2.864 -2.381) 5.334 3.961 ( -1.717 -0.934 0.176) 1.962 4.093 ( -0.742 0.599 0.655) 1.157 4.509 ( 7.321 -0.340 -2.838) 7.859 4.682 ( 2.203 -8.140 2.620) 8.831 4.729 ( 2.951 -9.775 -3.064) 10.661 4.985 ( 3.601 3.171 2.279) 5.312 5.026 ( -2.273 1.765 4.371) 5.233 5.261 ( -1.789 6.188 -0.306) 6.449 5.369 ( -11.245 -1.540 0.571) 11.364 5.632 ( -3.478 -6.369 4.143) 8.357 5.962 ( 5.696 2.930 -1.295) 6.535 6.070 ( -1.857 0.439 1.090) 2.198 6.161 ( 2.050 -0.389 -1.199) 2.406 6.663 ( 1.070 1.174 -1.029) 1.892 18.759 ( -1.131 -0.423 -0.221) 1.227 18.855 ( -0.034 -0.802 0.150) 0.816 19.077 ( -0.176 1.280 -0.021) 1.292 19.207 ( -0.002 0.301 0.007) 0.301 41.810 ( -1.045 -0.027 0.419) 1.126 41.830 ( -0.258 0.070 0.193) 0.330 66.049 ( 5.372 -1.681 -4.564) 7.246 67.170 ( 24.215 -7.732 4.899) 25.887 ======================= Grid point 309 (151/192) ======================= q-point: ( 0.33 0.09 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.697 ( 5.062 0.949 -7.290) 8.926 1.819 ( 5.596 4.421 -7.163) 10.108 1.847 ( 6.100 1.061 8.441) 10.469 2.028 ( 2.629 8.975 6.796) 11.561 3.007 ( 17.173 -0.784 4.992) 17.901 3.161 ( 18.899 -0.619 -4.425) 19.420 3.425 ( -3.364 0.346 -4.281) 5.456 3.760 ( -2.553 2.735 -2.606) 4.559 3.967 ( 1.251 -3.472 1.294) 3.911 4.056 ( -1.962 -0.481 -0.321) 2.046 4.639 ( 2.365 -4.153 -0.118) 4.780 4.670 ( 0.266 -3.241 -6.159) 6.965 4.787 ( 4.197 -8.356 2.927) 9.798 4.940 ( -3.895 4.710 0.570) 6.138 5.089 ( 0.553 -0.172 2.625) 2.688 5.185 ( -4.842 5.716 -0.528) 7.510 5.211 ( -3.607 -2.971 1.656) 4.957 5.547 ( -6.190 -6.086 4.952) 9.994 5.999 ( -1.448 11.096 0.995) 11.234 6.099 ( 3.575 -6.284 -1.085) 7.311 6.185 ( 1.056 -1.472 -1.037) 2.088 6.681 ( 1.097 5.196 -1.093) 5.421 18.741 ( -0.589 -0.178 -0.124) 0.628 18.854 ( -0.099 -0.748 0.125) 0.765 19.074 ( -0.108 1.141 -0.003) 1.146 19.208 ( 0.024 0.158 0.027) 0.163 41.804 ( 0.155 -0.217 0.390) 0.473 41.831 ( 0.159 0.099 0.295) 0.350 66.119 ( 3.265 -2.567 -4.455) 6.091 67.567 ( 13.615 -9.368 3.895) 16.980 ======================= Grid point 310 (152/192) ======================= q-point: ( 0.44 0.09 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.694 ( -2.333 0.666 -3.930) 4.619 1.862 ( 0.872 8.800 -3.643) 9.564 1.998 ( 6.269 -0.101 2.728) 6.838 2.096 ( 1.853 6.532 3.865) 7.813 3.277 ( 5.522 -3.411 0.750) 6.533 3.339 ( 3.129 2.869 2.439) 4.896 3.443 ( 3.283 -6.182 -3.042) 7.632 3.730 ( 0.088 2.762 -2.522) 3.741 4.002 ( 1.357 -2.601 0.855) 3.056 4.036 ( 0.378 -2.101 -1.217) 2.458 4.555 ( -4.288 -6.721 -2.517) 8.360 4.720 ( 1.321 -3.190 0.666) 3.516 4.885 ( 2.504 -5.762 4.082) 7.492 4.912 ( 1.679 5.557 1.137) 5.916 5.044 ( -2.578 -0.370 -2.433) 3.564 5.060 ( -6.324 3.450 -2.236) 7.543 5.242 ( 3.148 -3.601 2.091) 5.220 5.464 ( -2.499 -2.889 3.260) 5.022 5.981 ( -0.111 12.132 0.099) 12.133 6.132 ( 0.293 -7.643 -0.677) 7.678 6.200 ( 0.504 -1.519 -0.377) 1.644 6.690 ( -0.047 8.056 -0.272) 8.061 18.733 ( -0.185 -0.074 -0.027) 0.201 18.853 ( -0.046 -0.738 0.085) 0.744 19.073 ( -0.042 1.091 0.009) 1.092 19.208 ( 0.022 0.077 0.018) 0.082 41.812 ( 0.360 -0.132 0.140) 0.409 41.836 ( 0.228 -0.127 0.175) 0.314 66.141 ( 0.526 -2.917 -2.856) 4.116 67.759 ( 5.120 -9.892 1.297) 11.213 ======================= Grid point 311 (153/192) ======================= q-point: (-0.44 0.09 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.612 ( -5.404 1.748 3.918) 6.900 1.797 ( -6.943 8.636 3.097) 11.505 2.090 ( 2.566 0.018 -6.292) 6.796 2.151 ( 3.731 6.560 -1.916) 7.786 3.290 ( -2.307 -2.489 -1.360) 3.656 3.347 ( -7.194 -2.050 3.871) 8.423 3.395 ( -6.417 -1.758 0.593) 6.680 3.714 ( -0.237 1.249 -1.172) 1.729 4.026 ( 1.461 -1.628 -0.832) 2.340 4.042 ( 0.362 -2.216 -2.643) 3.468 4.504 ( -0.096 -7.344 2.444) 7.741 4.708 ( -3.561 -2.664 1.931) 4.848 4.897 ( -2.476 1.681 3.155) 4.349 4.931 ( -3.119 -0.391 -0.379) 3.166 5.014 ( 2.780 3.069 0.889) 4.235 5.027 ( 4.546 -0.906 0.262) 4.643 5.286 ( 1.029 -2.419 -2.298) 3.491 5.517 ( 6.574 -5.188 -2.028) 8.616 6.002 ( 2.507 12.327 -2.017) 12.740 6.120 ( -1.392 -7.958 0.590) 8.100 6.192 ( -1.233 -1.546 0.345) 2.008 6.675 ( -1.596 8.690 1.280) 8.927 18.732 ( 0.089 -0.050 0.055) 0.116 18.853 ( 0.049 -0.745 0.054) 0.748 19.072 ( 0.020 1.096 0.025) 1.096 19.209 ( 0.002 0.067 -0.009) 0.068 41.815 ( -0.053 -0.114 -0.125) 0.177 41.840 ( 0.115 -0.234 -0.234) 0.350 66.119 ( -1.999 -2.713 -0.593) 3.422 67.795 ( -1.261 -10.304 -2.332) 10.640 ======================= Grid point 312 (154/192) ======================= q-point: (-0.33 0.09 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.504 ( -8.981 2.165 10.223) 13.778 1.651 ( -8.947 9.243 9.008) 15.704 2.057 ( -2.017 0.978 -9.945) 10.195 2.184 ( 0.632 6.223 -9.403) 11.293 3.001 ( -24.405 -2.937 7.433) 25.680 3.114 ( -15.923 -0.561 -1.029) 15.966 3.373 ( 3.521 2.554 0.300) 4.360 3.744 ( 3.441 -0.572 -0.736) 3.565 4.010 ( -1.427 -2.647 -2.864) 4.153 4.081 ( 4.093 0.550 -3.028) 5.121 4.542 ( -1.730 -4.952 6.741) 8.542 4.609 ( -4.244 -2.347 2.764) 5.582 4.829 ( -4.266 -5.635 -1.211) 7.171 4.919 ( 1.951 5.665 2.783) 6.606 5.099 ( 4.814 -0.847 1.438) 5.095 5.166 ( 7.396 3.835 0.847) 8.374 5.280 ( 0.086 -2.575 -4.681) 5.343 5.638 ( 5.981 -7.817 -4.000) 10.624 6.038 ( -0.702 5.829 -1.995) 6.201 6.085 ( -0.292 -2.508 -1.027) 2.726 6.167 ( -1.138 -1.204 0.807) 1.843 6.645 ( -2.054 6.711 2.824) 7.565 18.738 ( 0.419 -0.101 0.203) 0.476 18.855 ( 0.102 -0.757 0.026) 0.764 19.074 ( 0.095 1.155 0.034) 1.160 19.208 ( -0.015 0.127 -0.036) 0.133 41.813 ( 0.171 -0.298 -0.520) 0.623 41.838 ( -0.205 -0.051 -0.411) 0.462 66.060 ( -3.969 -2.001 1.476) 4.684 67.676 ( -9.426 -10.814 -7.124) 16.017 ======================= Grid point 313 (155/192) ======================= q-point: (-0.22 0.09 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.341 ( -11.408 2.994 14.062) 18.354 1.516 ( -10.466 8.788 11.972) 18.168 1.940 ( -4.764 1.285 -12.808) 13.726 2.063 ( -8.950 6.393 -9.399) 14.468 2.493 ( -27.827 3.352 13.321) 31.033 2.832 ( -8.898 2.575 -8.645) 12.671 3.480 ( 5.983 -0.516 3.702) 7.055 3.831 ( 5.274 0.548 -1.018) 5.400 3.979 ( -0.035 -0.734 -1.941) 2.076 4.141 ( 2.217 2.045 -4.030) 5.034 4.431 ( -6.250 -1.883 5.636) 8.624 4.609 ( -2.531 -6.887 4.342) 8.526 4.764 ( -1.636 -6.076 -1.506) 6.470 4.967 ( 0.287 6.225 3.393) 7.096 5.137 ( -0.831 -1.536 -5.121) 5.411 5.248 ( 0.450 0.647 -0.471) 0.918 5.375 ( 11.084 1.130 0.163) 11.143 5.712 ( 2.635 -6.518 -3.681) 7.936 5.938 ( -6.294 -0.550 1.462) 6.485 6.111 ( 1.465 -0.169 -2.607) 2.995 6.150 ( -0.709 1.477 -1.232) 2.050 6.626 ( -0.945 2.609 3.014) 4.097 18.752 ( 0.952 -0.299 0.445) 1.092 18.857 ( 0.020 -0.778 -0.007) 0.778 19.077 ( 0.188 1.306 0.014) 1.320 19.208 ( -0.010 0.245 -0.042) 0.249 41.821 ( 0.843 -0.253 -0.709) 1.130 41.834 ( 0.139 0.058 -0.156) 0.217 65.981 ( -4.420 -0.956 2.357) 5.100 67.330 ( -21.990 -10.399 -11.535) 26.922 ======================= Grid point 314 (156/192) ======================= q-point: (-0.11 0.09 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.175 ( -12.509 3.602 14.929) 19.807 1.324 ( -10.031 7.832 12.581) 17.895 1.767 ( -16.025 3.409 -7.555) 18.041 1.790 ( -3.933 3.102 -14.245) 15.100 2.150 ( -11.599 12.093 21.088) 26.934 2.688 ( -1.283 5.109 -16.604) 17.420 3.607 ( 3.792 -3.723 5.366) 7.552 3.904 ( 1.933 0.684 -2.646) 3.347 4.004 ( -0.054 4.514 0.635) 4.559 4.171 ( 8.046 1.871 -2.153) 8.536 4.402 ( 0.048 -2.257 0.750) 2.379 4.529 ( -5.064 -9.922 5.550) 12.445 4.719 ( -2.906 -8.495 -2.923) 9.442 4.895 ( -8.719 2.000 -1.456) 9.063 5.116 ( 1.238 4.981 -3.452) 6.186 5.234 ( -1.585 -0.477 1.961) 2.566 5.578 ( 4.945 2.606 2.436) 6.098 5.684 ( -0.654 -0.416 -4.515) 4.580 5.895 ( 1.646 -0.762 0.099) 1.817 6.094 ( -2.324 -1.054 0.852) 2.690 6.135 ( -0.206 -1.248 -1.854) 2.244 6.630 ( 0.250 -1.175 1.522) 1.939 18.778 ( 1.355 -0.768 0.515) 1.641 18.855 ( -0.224 -0.789 -0.039) 0.821 19.081 ( 0.217 1.539 -0.073) 1.556 19.208 ( 0.019 0.397 -0.030) 0.399 41.833 ( 0.536 0.193 -0.069) 0.574 41.851 ( 1.446 -0.235 -0.146) 1.472 65.927 ( -1.085 0.039 1.588) 1.924 66.741 ( -29.643 -6.458 -8.912) 31.620 ======================= Grid point 315 (157/192) ======================= q-point: ( 0.00 0.18 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.221 ( -0.931 9.245 9.621) 13.376 1.429 ( -1.719 8.254 12.952) 15.455 1.624 ( -1.880 6.662 -6.736) 9.658 1.806 ( 2.930 5.958 -16.201) 17.508 2.507 ( 0.725 19.915 17.666) 26.632 2.808 ( -0.136 12.812 -13.387) 18.531 3.599 ( 2.166 -3.367 2.072) 4.509 3.897 ( 0.072 -3.704 -0.702) 3.770 4.008 ( -0.829 -0.004 0.811) 1.160 4.282 ( 0.321 -8.083 -0.056) 8.090 4.336 ( -1.540 -3.374 -0.251) 3.717 4.411 ( 0.463 -4.023 -2.586) 4.805 4.602 ( 14.516 1.355 1.381) 14.645 4.642 ( -14.762 1.187 -2.438) 15.009 5.161 ( -3.074 -0.438 4.475) 5.446 5.250 ( 3.524 0.154 -4.186) 5.474 5.647 ( -2.094 3.097 4.774) 6.063 5.777 ( 0.664 2.004 -3.879) 4.416 5.927 ( -1.774 0.503 0.419) 1.891 5.999 ( 2.346 -5.963 -0.629) 6.439 6.073 ( 0.088 -0.347 0.200) 0.410 6.570 ( -0.269 -4.228 0.998) 4.353 18.773 ( 0.098 -1.217 0.188) 1.235 18.831 ( -0.074 -0.991 -0.010) 0.994 19.122 ( 0.026 1.968 -0.251) 1.984 19.219 ( 0.039 0.534 -0.013) 0.536 41.842 ( -0.019 0.113 0.008) 0.115 41.865 ( -0.040 -0.246 0.030) 0.250 65.958 ( 0.688 0.544 0.287) 0.923 66.273 ( -1.842 -2.706 -0.057) 3.274 ======================= Grid point 316 (158/192) ======================= q-point: ( 0.11 0.18 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.371 ( 9.185 3.572 12.508) 15.924 1.517 ( 5.855 6.879 8.163) 12.175 1.659 ( 6.331 6.567 -9.228) 12.976 1.910 ( 13.322 7.250 -8.905) 17.588 2.616 ( 3.313 19.004 12.871) 23.191 2.775 ( 3.364 10.518 -11.878) 16.218 3.606 ( -2.329 -3.826 -1.988) 4.901 3.886 ( -1.144 -3.211 -0.456) 3.439 4.079 ( 4.811 2.062 1.598) 5.472 4.188 ( -11.295 1.815 -1.466) 11.534 4.333 ( 4.681 -8.803 1.378) 10.065 4.409 ( 2.362 -0.747 0.262) 2.491 4.489 ( 0.727 -9.227 -3.262) 9.813 4.896 ( 10.850 2.786 1.886) 11.360 5.119 ( -2.865 -0.049 4.037) 4.951 5.297 ( 2.859 -0.401 -4.416) 5.276 5.588 ( -8.838 0.518 4.566) 9.961 5.643 ( -7.647 0.268 0.907) 7.706 5.862 ( -1.278 -3.542 -1.767) 4.159 6.082 ( 3.711 -1.358 -2.005) 4.431 6.136 ( 4.124 2.478 0.145) 4.813 6.603 ( 3.207 -2.610 1.024) 4.259 18.765 ( -0.758 -0.968 -0.056) 1.231 18.833 ( 0.127 -1.057 0.126) 1.072 19.117 ( -0.341 1.911 -0.134) 1.945 19.218 ( -0.135 0.499 -0.063) 0.520 41.838 ( -0.334 0.260 0.036) 0.425 41.843 ( -1.854 -0.167 0.165) 1.869 65.959 ( 1.719 -0.138 -1.672) 2.402 66.514 ( 20.556 -6.246 2.449) 21.623 ======================= Grid point 317 (159/192) ======================= q-point: ( 0.22 0.18 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.593 ( 6.223 -0.004 16.510) 17.644 1.681 ( 9.314 4.080 -10.491) 14.610 1.802 ( 10.027 7.157 0.127) 12.320 2.156 ( 10.171 9.337 -2.767) 14.081 2.751 ( 8.803 9.275 1.395) 12.863 2.897 ( 11.726 7.636 -2.866) 14.283 3.519 ( -4.428 -2.088 -1.918) 5.258 3.858 ( -1.237 -2.165 -0.405) 2.527 3.979 ( -7.565 2.717 -0.787) 8.077 4.091 ( -3.274 -0.307 -0.670) 3.356 4.475 ( 3.645 -5.101 -0.067) 6.270 4.505 ( 6.641 -6.708 3.382) 10.026 4.558 ( 7.548 -6.136 -4.694) 10.801 5.005 ( -0.235 -0.364 4.456) 4.477 5.100 ( 0.181 4.308 1.318) 4.509 5.265 ( -6.698 -4.584 -2.677) 8.546 5.403 ( -6.878 3.833 1.802) 8.078 5.532 ( -5.157 -3.587 2.962) 6.945 5.883 ( 3.340 -6.766 -1.662) 7.727 6.108 ( 0.175 -2.199 -2.715) 3.499 6.215 ( 3.550 7.627 1.325) 8.517 6.697 ( 5.442 2.090 0.538) 5.854 18.749 ( -0.751 -0.496 -0.095) 0.904 18.835 ( 0.009 -1.102 0.131) 1.110 19.109 ( -0.347 1.792 -0.040) 1.826 19.215 ( -0.169 0.365 -0.046) 0.405 41.809 ( -1.266 -0.036 0.290) 1.299 41.834 ( -0.105 0.263 0.133) 0.313 66.009 ( 3.549 -1.978 -3.277) 5.219 66.961 ( 20.607 -12.169 3.384) 24.170 ======================= Grid point 318 (160/192) ======================= q-point: ( 0.33 0.18 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.728 ( 3.341 2.139 -1.402) 4.207 1.829 ( 7.919 0.582 2.867) 8.442 1.984 ( 7.916 7.632 -2.655) 11.312 2.258 ( 0.883 12.801 3.947) 13.425 2.967 ( 11.311 -3.116 -1.345) 11.809 3.164 ( 13.214 1.241 -0.764) 13.294 3.444 ( -2.073 1.111 -0.856) 2.502 3.819 ( -2.127 2.130 -4.142) 5.120 3.896 ( -0.649 -2.665 1.683) 3.218 4.013 ( -3.585 -3.519 -0.011) 5.024 4.539 ( 2.932 -8.498 1.765) 9.161 4.563 ( -1.232 -3.343 -4.143) 5.464 4.678 ( 5.126 -2.407 0.623) 5.698 5.001 ( -1.067 -0.007 2.947) 3.134 5.101 ( -4.107 -0.977 0.568) 4.260 5.128 ( -1.133 -1.184 0.971) 1.905 5.278 ( -6.109 3.245 -0.624) 6.945 5.467 ( -3.195 -2.139 2.722) 4.710 5.943 ( 2.562 -8.419 -1.085) 8.867 6.089 ( -0.524 -3.200 -2.119) 3.873 6.281 ( 2.307 11.526 1.203) 11.816 6.802 ( 4.521 6.159 0.128) 7.641 18.737 ( -0.407 -0.190 -0.035) 0.451 18.835 ( -0.076 -1.104 0.087) 1.110 19.104 ( -0.198 1.689 -0.008) 1.700 19.212 ( -0.106 0.207 -0.017) 0.233 41.800 ( 0.123 -0.135 0.291) 0.344 41.834 ( 0.015 0.182 0.187) 0.261 66.055 ( 2.170 -3.365 -3.306) 5.193 67.306 ( 12.337 -15.603 2.768) 20.083 ======================= Grid point 319 (161/192) ======================= q-point: ( 0.44 0.18 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.729 ( -1.438 2.778 -3.135) 4.429 1.994 ( 6.700 0.457 1.944) 6.991 2.085 ( 2.516 11.293 -3.808) 12.181 2.264 ( -0.655 9.629 5.682) 11.200 3.150 ( 6.455 -8.043 -0.688) 10.336 3.298 ( 0.090 -7.323 -1.723) 7.523 3.449 ( 1.612 6.224 2.496) 6.897 3.772 ( -0.760 1.582 -4.364) 4.704 3.922 ( 1.688 -4.813 1.775) 5.401 3.964 ( -1.050 -5.175 -0.512) 5.305 4.476 ( -4.336 -0.382 -2.605) 5.073 4.605 ( 2.611 -8.221 1.097) 8.695 4.759 ( 2.102 -5.006 2.661) 6.046 4.985 ( -3.069 -2.721 -3.202) 5.204 5.032 ( 0.737 4.237 3.238) 5.383 5.150 ( 0.923 -4.304 1.092) 4.535 5.179 ( -3.090 5.858 -0.750) 6.665 5.428 ( -1.201 -1.223 1.659) 2.386 5.963 ( 0.004 -8.506 -0.875) 8.551 6.080 ( 0.093 -3.778 -0.797) 3.862 6.316 ( 1.057 13.631 0.230) 13.674 6.865 ( 1.501 8.482 0.246) 8.617 18.732 ( -0.119 -0.052 0.010) 0.130 18.833 ( -0.046 -1.110 0.054) 1.112 19.101 ( -0.062 1.641 0.004) 1.642 19.210 ( -0.030 0.102 -0.007) 0.107 41.809 ( 0.530 -0.082 0.138) 0.553 41.834 ( -0.077 -0.087 0.089) 0.146 66.067 ( 0.270 -3.930 -2.147) 4.486 67.479 ( 4.587 -16.983 0.937) 17.617 ======================= Grid point 320 (162/192) ======================= q-point: (-0.44 0.18 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.672 ( -3.874 4.015 2.294) 6.032 2.018 ( -7.554 12.070 2.685) 14.490 2.080 ( 2.344 -0.663 -6.033) 6.506 2.331 ( 5.084 10.114 -0.889) 11.355 3.146 ( -8.272 -9.558 -0.585) 12.653 3.245 ( -3.488 -6.678 3.292) 8.222 3.479 ( -0.035 6.956 0.377) 6.966 3.733 ( -1.763 0.614 -1.117) 2.176 3.942 ( -0.216 -5.494 -0.699) 5.543 3.981 ( 3.103 -4.700 -1.470) 5.821 4.423 ( -0.171 -0.461 2.324) 2.376 4.618 ( -1.967 -6.373 0.021) 6.670 4.780 ( -1.261 -6.421 1.331) 6.678 4.936 ( 0.301 -0.937 1.061) 1.447 5.076 ( 0.575 4.833 -1.246) 5.024 5.143 ( 2.733 5.131 1.742) 6.069 5.195 ( 2.029 -4.558 -2.443) 5.555 5.445 ( 2.548 -2.410 -0.052) 3.507 5.949 ( -1.160 -8.358 0.513) 8.453 6.075 ( -0.569 -4.490 -0.249) 4.533 6.329 ( 0.491 13.868 -1.136) 13.923 6.860 ( -2.146 8.859 0.741) 9.145 18.731 ( 0.083 -0.019 0.032) 0.091 18.834 ( 0.040 -1.121 0.042) 1.122 19.101 ( 0.056 1.647 0.007) 1.648 19.210 ( 0.036 0.091 -0.011) 0.098 41.812 ( -0.248 -0.093 -0.153) 0.306 41.835 ( 0.227 -0.189 -0.076) 0.305 66.050 ( -1.389 -3.622 -0.435) 3.903 67.505 ( -1.870 -17.531 -1.647) 17.708 ======================= Grid point 321 (163/192) ======================= q-point: (-0.33 0.18 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.588 ( -6.926 5.633 7.375) 11.579 1.864 ( -8.944 10.856 6.410) 15.458 2.049 ( -1.267 -1.314 -12.246) 12.382 2.379 ( -0.588 11.447 -6.948) 13.403 2.905 ( -14.852 -5.753 4.592) 16.576 3.120 ( -11.436 0.798 4.077) 12.167 3.441 ( -1.356 3.640 -0.834) 3.973 3.746 ( 3.139 1.080 2.441) 4.120 3.933 ( 0.208 -4.925 -1.755) 5.233 4.056 ( 5.193 -2.690 -3.206) 6.670 4.459 ( -0.088 -3.469 4.008) 5.302 4.554 ( -3.485 -3.325 1.333) 4.998 4.717 ( -4.058 -4.208 -2.407) 6.323 5.000 ( 4.513 1.199 2.660) 5.374 5.095 ( 2.495 1.725 1.033) 3.204 5.190 ( -0.983 -4.791 -4.960) 6.966 5.261 ( 7.148 3.793 1.038) 8.158 5.510 ( 3.735 -4.972 -1.407) 6.376 5.917 ( -2.879 -7.878 1.556) 8.530 6.061 ( -0.562 -4.533 0.770) 4.632 6.321 ( -0.799 11.580 -2.916) 11.968 6.792 ( -4.887 7.150 1.270) 8.753 18.735 ( 0.311 -0.087 0.095) 0.337 18.835 ( 0.089 -1.130 0.025) 1.134 19.104 ( 0.208 1.707 -0.006) 1.720 19.211 ( 0.094 0.173 -0.008) 0.197 41.807 ( 0.009 -0.283 -0.408) 0.496 41.838 ( 0.000 0.050 -0.169) 0.176 66.010 ( -2.663 -2.536 1.121) 3.844 67.380 ( -9.804 -17.382 -4.696) 20.501 ======================= Grid point 322 (164/192) ======================= q-point: (-0.22 0.18 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.456 ( -9.578 7.726 10.733) 16.329 1.709 ( -10.373 9.645 6.832) 15.726 1.946 ( -2.815 -0.776 -15.986) 16.250 2.202 ( -13.583 5.576 -6.655) 16.121 2.625 ( -15.047 10.344 10.539) 21.083 2.935 ( -5.126 7.532 -2.645) 9.487 3.462 ( 2.436 -1.487 3.151) 4.252 3.840 ( 3.923 -0.508 1.141) 4.117 3.967 ( 5.193 0.166 -0.374) 5.209 4.149 ( 5.221 -1.307 -4.441) 6.978 4.379 ( -8.585 -3.157 5.751) 10.805 4.500 ( -3.694 -4.205 0.821) 5.657 4.625 ( -4.055 -6.247 -5.194) 9.080 5.084 ( -2.530 4.877 1.184) 5.621 5.113 ( 3.269 -0.812 -4.556) 5.666 5.199 ( 2.629 -4.300 3.643) 6.219 5.426 ( 9.382 2.917 -0.536) 9.839 5.585 ( 5.259 -6.104 -2.214) 8.356 5.845 ( -4.457 -6.526 2.161) 8.193 6.064 ( 0.002 -3.493 1.843) 3.950 6.264 ( -3.565 7.478 -3.794) 9.112 6.690 ( -5.421 3.372 1.328) 6.521 18.745 ( 0.626 -0.326 0.240) 0.746 18.836 ( 0.015 -1.131 -0.022) 1.131 19.110 ( 0.393 1.822 -0.070) 1.865 19.214 ( 0.141 0.318 0.020) 0.349 41.816 ( 1.111 -0.232 -0.359) 1.191 41.836 ( 0.026 0.199 -0.133) 0.241 65.959 ( -2.822 -0.977 1.763) 3.468 67.061 ( -19.856 -15.019 -6.741) 25.793 ======================= Grid point 323 (165/192) ======================= q-point: (-0.11 0.18 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.310 ( -9.599 9.110 11.562) 17.573 1.506 ( -10.642 9.854 7.710) 16.426 1.803 ( -7.577 0.835 -13.045) 15.108 1.895 ( -8.702 6.054 -9.548) 14.267 2.473 ( -5.365 18.313 16.167) 25.011 2.864 ( -0.647 11.920 -9.711) 15.388 3.537 ( 2.746 -3.194 4.812) 6.395 3.887 ( 1.404 -2.806 -0.801) 3.238 4.082 ( -2.389 2.070 1.090) 3.343 4.219 ( 8.358 1.869 -4.027) 9.464 4.285 ( 0.721 -6.016 4.557) 7.581 4.412 ( -4.745 -3.019 0.368) 5.636 4.521 ( -2.709 -9.215 -5.356) 10.997 4.940 ( -11.147 2.195 -2.208) 11.574 5.186 ( 3.852 1.409 -3.382) 5.316 5.208 ( -2.670 -1.754 4.835) 5.795 5.623 ( 8.025 1.251 0.680) 8.150 5.681 ( 3.985 0.151 -2.566) 4.742 5.828 ( 4.261 -5.969 1.906) 7.578 6.053 ( -2.301 -2.187 1.030) 3.338 6.153 ( -5.940 2.546 -1.830) 6.717 6.603 ( -3.441 -1.390 0.969) 3.836 18.761 ( 0.768 -0.804 0.343) 1.164 18.835 ( -0.159 -1.084 -0.074) 1.098 19.118 ( 0.410 1.935 -0.203) 1.988 19.217 ( 0.151 0.463 0.043) 0.489 41.838 ( 0.310 0.274 -0.038) 0.416 41.846 ( 1.605 -0.266 -0.087) 1.629 65.930 ( -0.139 0.400 1.244) 1.314 66.582 ( -23.077 -8.452 -4.613) 25.005 ======================= Grid point 324 (166/192) ======================= q-point: ( 0.00 0.27 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.430 ( -2.666 10.976 6.085) 12.830 1.627 ( -1.485 10.437 5.275) 11.788 1.766 ( 1.058 6.924 -7.293) 10.112 1.933 ( 2.536 6.559 -9.399) 11.738 2.887 ( 1.087 16.267 10.997) 19.665 3.112 ( -1.395 16.084 -6.228) 17.304 3.540 ( 1.907 -2.584 4.052) 5.171 3.747 ( -1.472 -9.407 -1.478) 9.635 3.974 ( 0.929 -3.310 -0.142) 3.441 4.202 ( -0.107 -1.600 -2.433) 2.914 4.246 ( -1.904 -4.467 0.935) 4.945 4.326 ( 0.961 -2.298 -1.557) 2.938 4.651 ( 5.547 2.818 -0.631) 6.253 4.716 ( -5.200 4.797 -0.760) 7.116 5.130 ( -3.582 -2.218 4.824) 6.405 5.227 ( 3.143 -2.678 -4.381) 6.020 5.660 ( -2.597 -1.805 5.528) 6.368 5.778 ( 3.991 -2.513 -3.075) 5.630 5.902 ( -6.159 -1.210 -1.211) 6.393 5.950 ( 5.709 0.892 -0.537) 5.803 6.074 ( 0.153 0.351 -0.111) 0.399 6.473 ( -1.174 -5.325 1.014) 5.546 18.753 ( 0.020 -0.630 0.076) 0.635 18.811 ( -0.038 -1.043 0.001) 1.044 19.159 ( 0.011 1.692 -0.194) 1.703 19.228 ( 0.042 0.291 0.002) 0.294 41.844 ( -0.019 0.124 -0.010) 0.126 41.860 ( -0.012 -0.258 0.002) 0.258 65.974 ( 0.481 1.024 0.236) 1.156 66.213 ( -0.939 -3.109 -0.055) 3.248 ======================= Grid point 325 (167/192) ======================= q-point: ( 0.11 0.27 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.481 ( 3.576 7.411 10.635) 13.447 1.682 ( 5.139 8.569 -0.010) 9.992 1.812 ( 5.987 8.114 -5.622) 11.545 2.045 ( 11.890 6.025 -7.089) 15.097 2.964 ( 2.855 12.824 7.318) 15.039 3.046 ( -2.730 16.551 -4.165) 17.284 3.541 ( -2.675 -2.798 -0.900) 3.974 3.748 ( 0.731 -9.429 1.366) 9.556 4.107 ( 11.836 -1.755 -1.006) 12.008 4.142 ( -5.671 -1.235 0.750) 5.852 4.258 ( 1.767 -2.232 0.877) 2.978 4.344 ( 0.241 -4.571 -2.542) 5.236 4.430 ( -7.220 3.509 -1.472) 8.161 4.942 ( 8.520 1.107 0.799) 8.629 5.096 ( -0.339 -1.702 5.471) 5.739 5.254 ( 0.564 -3.502 -4.071) 5.400 5.577 ( -8.418 -1.648 2.380) 8.902 5.657 ( -9.777 1.395 1.900) 10.057 5.778 ( -2.847 -4.228 -3.793) 6.354 6.041 ( 1.942 -2.724 -2.025) 3.911 6.201 ( 9.025 3.603 0.036) 9.717 6.548 ( 7.504 -2.782 2.085) 8.271 18.749 ( -0.388 -0.510 0.007) 0.641 18.811 ( 0.044 -1.079 0.070) 1.082 19.155 ( -0.372 1.718 -0.105) 1.761 19.226 ( -0.198 0.271 -0.069) 0.342 41.838 ( -1.045 -0.089 0.083) 1.052 41.845 ( -0.752 0.219 0.007) 0.783 65.964 ( 0.228 0.722 -0.980) 1.238 66.380 ( 14.341 -6.659 1.367) 15.871 ======================= Grid point 326 (168/192) ======================= q-point: ( 0.22 0.27 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.625 ( 5.663 3.446 12.566) 14.208 1.782 ( 5.875 5.426 -8.005) 11.315 1.957 ( 9.013 7.884 -0.310) 11.979 2.295 ( 13.928 4.412 -5.155) 15.493 2.975 ( -3.633 11.831 -0.323) 12.380 3.075 ( 6.568 9.171 2.571) 11.570 3.467 ( -3.119 -3.345 -2.080) 5.024 3.759 ( -0.139 -7.025 1.080) 7.108 4.016 ( -6.820 0.578 4.516) 8.200 4.129 ( -6.548 4.167 -7.209) 10.593 4.320 ( 0.691 -6.673 1.518) 6.878 4.435 ( 10.741 -2.720 -0.097) 11.080 4.469 ( 8.116 -2.975 -0.811) 8.682 4.969 ( -2.808 -3.528 3.770) 5.877 5.153 ( -6.292 -2.114 2.048) 6.946 5.199 ( 2.264 1.647 -1.392) 3.127 5.457 ( -3.119 0.567 -0.510) 3.211 5.475 ( -8.416 -1.270 0.601) 8.533 5.746 ( 0.681 -6.092 -1.593) 6.334 6.033 ( -1.153 -4.741 -2.585) 5.521 6.378 ( 8.099 7.794 1.125) 11.296 6.738 ( 9.711 1.633 1.304) 9.933 18.741 ( -0.415 -0.213 0.011) 0.467 18.812 ( -0.019 -1.154 0.070) 1.156 19.146 ( -0.415 1.728 -0.037) 1.777 19.221 ( -0.291 0.207 -0.075) 0.365 41.810 ( -1.183 0.164 0.167) 1.206 41.839 ( -0.130 0.244 0.052) 0.282 65.981 ( 1.607 -0.524 -1.929) 2.565 66.699 ( 15.264 -13.099 1.958) 20.209 ======================= Grid point 327 (169/192) ======================= q-point: ( 0.33 0.27 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.779 ( 4.064 2.829 4.813) 6.906 1.863 ( 6.169 2.630 -2.967) 7.333 2.130 ( 8.244 6.750 -0.591) 10.671 2.498 ( 5.837 9.321 0.094) 10.998 2.908 ( -1.051 -1.630 -2.480) 3.148 3.198 ( 2.559 1.312 -0.720) 2.965 3.452 ( 3.089 -0.356 1.695) 3.541 3.757 ( -0.255 -6.171 0.848) 6.234 3.927 ( -4.172 -0.352 4.397) 6.071 3.966 ( -5.840 3.763 -7.569) 10.274 4.358 ( 2.397 -8.246 1.589) 8.733 4.528 ( 2.579 -1.034 -1.742) 3.279 4.641 ( 3.904 -1.583 0.334) 4.226 4.949 ( -0.671 -6.130 4.871) 7.859 5.011 ( -4.581 -1.455 -0.220) 4.812 5.221 ( -1.470 5.600 -1.109) 5.895 5.322 ( -4.398 1.361 0.946) 4.699 5.431 ( -1.583 -1.926 -0.632) 2.572 5.774 ( 1.868 -7.830 -0.453) 8.062 5.995 ( -1.272 -5.542 -2.534) 6.225 6.520 ( 5.525 11.355 1.007) 12.668 6.916 ( 7.237 4.648 0.690) 8.628 18.734 ( -0.231 0.005 0.045) 0.235 18.811 ( -0.079 -1.189 0.036) 1.192 19.139 ( -0.255 1.697 -0.011) 1.716 19.215 ( -0.224 0.110 -0.051) 0.255 41.800 ( 0.095 0.208 0.180) 0.291 41.838 ( -0.131 0.135 0.076) 0.203 66.000 ( 0.934 -1.609 -2.002) 2.733 66.960 ( 9.729 -17.718 1.655) 20.282 ======================= Grid point 328 (170/192) ======================= q-point: ( 0.44 0.27 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.802 ( -0.616 4.156 -2.167) 4.727 2.006 ( 6.157 0.863 1.177) 6.328 2.285 ( 7.456 7.435 -1.243) 10.603 2.477 ( -6.800 10.851 4.619) 13.613 2.971 ( 7.031 -9.080 -3.246) 11.934 3.152 ( -5.321 -6.694 -3.016) 9.067 3.549 ( 3.067 2.348 5.149) 6.437 3.761 ( 0.103 -4.326 0.379) 4.344 3.837 ( -3.331 -4.823 -2.545) 6.390 3.898 ( -0.297 4.143 -1.208) 4.326 4.416 ( 1.733 -9.405 2.034) 9.777 4.519 ( -1.543 3.321 -2.227) 4.286 4.684 ( 1.178 -2.677 1.491) 3.283 4.907 ( -2.317 -5.535 0.371) 6.012 5.015 ( 1.259 -2.551 1.310) 3.132 5.185 ( -0.195 5.505 -0.244) 5.514 5.285 ( -1.061 4.552 0.616) 4.715 5.397 ( -1.128 -2.061 -0.395) 2.382 5.796 ( 0.308 -7.815 -0.376) 7.830 5.968 ( -0.648 -6.523 -1.342) 6.691 6.601 ( 2.280 13.467 0.185) 13.660 7.018 ( 2.621 6.251 0.427) 6.791 18.732 ( -0.054 0.108 0.044) 0.128 18.810 ( -0.049 -1.201 0.021) 1.202 19.136 ( -0.077 1.668 -0.006) 1.670 19.212 ( -0.081 0.035 -0.031) 0.094 41.810 ( 0.610 0.156 0.098) 0.638 41.833 ( -0.310 0.005 0.020) 0.311 66.001 ( -0.013 -2.034 -1.308) 2.418 67.096 ( 3.595 -19.904 0.574) 20.234 ======================= Grid point 329 (171/192) ======================= q-point: (-0.44 0.27 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.768 ( -2.327 5.152 0.997) 5.740 2.068 ( 0.708 -0.398 -4.836) 4.904 2.251 ( -9.357 9.938 1.754) 13.762 2.529 ( 9.723 8.400 0.862) 12.878 2.943 ( -10.960 -9.245 -1.769) 14.447 3.105 ( 2.804 -6.573 1.757) 7.359 3.597 ( -0.588 2.289 1.826) 2.986 3.745 ( -0.539 0.829 0.628) 1.171 3.807 ( -0.368 -7.192 -0.312) 7.208 3.925 ( 3.912 1.593 -2.809) 5.073 4.398 ( -3.184 -5.934 3.023) 7.382 4.514 ( 0.556 -0.173 -1.004) 1.161 4.692 ( -0.568 -2.687 1.099) 2.958 4.905 ( 2.079 -2.643 -0.283) 3.374 5.044 ( 1.530 -5.637 -0.959) 5.920 5.188 ( -0.045 5.704 -0.702) 5.748 5.284 ( 1.015 5.506 0.772) 5.652 5.395 ( 1.001 -2.866 -0.168) 3.040 5.789 ( -0.797 -7.288 0.297) 7.338 5.953 ( -0.664 -6.974 0.148) 7.007 6.612 ( -1.001 13.268 -0.943) 13.339 7.019 ( -2.682 6.435 0.347) 6.980 18.732 ( 0.074 0.130 0.008) 0.150 18.810 ( 0.033 -1.208 0.029) 1.209 19.136 ( 0.089 1.672 -0.013) 1.675 19.212 ( 0.075 0.030 -0.017) 0.083 41.812 ( -0.428 0.111 -0.137) 0.463 41.833 ( 0.361 -0.037 0.007) 0.363 65.991 ( -0.699 -1.733 -0.238) 1.883 67.112 ( -1.998 -20.348 -0.967) 20.468 ======================= Grid point 330 (172/192) ======================= q-point: (-0.33 0.27 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.716 ( -4.235 6.489 4.471) 8.946 2.013 ( -2.255 -1.699 -11.632) 11.969 2.072 ( -9.348 8.969 4.744) 13.796 2.573 ( -10.359 4.593 -6.888) 13.261 2.826 ( 4.081 0.670 5.823) 7.142 3.131 ( -1.831 -0.011 5.367) 5.671 3.499 ( -7.197 1.663 -2.131) 7.688 3.763 ( 0.789 -2.916 1.023) 3.189 3.852 ( 5.108 0.624 3.389) 6.162 4.015 ( 6.169 -0.257 -4.335) 7.544 4.352 ( -2.575 -6.710 0.956) 7.250 4.499 ( -2.106 -1.912 1.549) 3.239 4.668 ( -2.913 -1.384 -1.764) 3.676 4.985 ( 5.507 -2.973 1.755) 6.500 5.044 ( 0.376 -4.903 -4.575) 6.717 5.200 ( 0.951 5.423 1.141) 5.623 5.333 ( 4.299 2.854 -0.074) 5.160 5.422 ( 1.249 -4.015 0.301) 4.215 5.765 ( -1.945 -6.832 0.449) 7.117 5.950 ( 0.242 -6.151 1.956) 6.459 6.552 ( -4.406 10.866 -2.197) 11.930 6.920 ( -7.185 5.125 0.309) 8.831 18.735 ( 0.206 0.074 -0.009) 0.219 18.811 ( 0.086 -1.213 0.032) 1.216 19.139 ( 0.281 1.706 -0.040) 1.730 19.214 ( 0.204 0.097 0.007) 0.226 41.804 ( -0.063 0.083 -0.238) 0.260 41.839 ( 0.163 0.061 -0.059) 0.183 65.972 ( -1.227 -0.823 0.726) 1.646 67.002 ( -8.497 -19.034 -2.554) 21.000 ======================= Grid point 331 (173/192) ======================= q-point: (-0.22 0.27 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.630 ( -6.632 8.677 6.694) 12.809 1.891 ( -6.591 5.448 -7.070) 11.096 1.925 ( -5.233 1.918 -3.801) 6.746 2.276 ( -14.653 2.216 -3.021) 15.124 2.892 ( -2.962 14.526 6.318) 16.115 3.113 ( 0.643 8.988 0.958) 9.062 3.413 ( -0.314 -3.181 2.432) 4.016 3.778 ( 0.731 -5.264 -0.493) 5.337 4.013 ( 8.613 3.917 3.963) 10.258 4.120 ( 5.607 -0.887 -4.214) 7.070 4.290 ( -4.277 -5.167 1.099) 6.797 4.436 ( -4.884 -1.829 0.848) 5.283 4.524 ( -8.691 -4.194 -5.192) 10.958 5.041 ( 1.152 -6.257 -2.621) 6.881 5.133 ( 5.857 -0.540 1.068) 5.978 5.198 ( -1.684 4.908 0.830) 5.255 5.455 ( 3.497 -4.339 -0.277) 5.580 5.477 ( 9.895 -0.192 0.275) 9.900 5.717 ( -2.787 -5.569 1.220) 6.346 5.980 ( 1.414 -4.735 2.837) 5.698 6.418 ( -7.895 7.405 -2.964) 11.223 6.750 ( -9.414 2.252 0.082) 9.680 18.741 ( 0.354 -0.098 0.037) 0.369 18.812 ( 0.039 -1.196 0.002) 1.197 19.147 ( 0.465 1.734 -0.106) 1.799 19.219 ( 0.269 0.199 0.048) 0.338 41.813 ( 1.093 0.051 -0.168) 1.107 41.841 ( 0.096 0.186 -0.074) 0.222 65.951 ( -1.172 0.374 1.114) 1.659 66.751 ( -15.198 -14.913 -3.241) 21.538 ======================= Grid point 332 (174/192) ======================= q-point: (-0.11 0.27 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.517 ( -7.141 10.392 6.370) 14.127 1.714 ( -8.530 10.067 2.078) 13.357 1.824 ( -2.129 1.914 -11.046) 11.411 2.019 ( -8.316 5.872 -4.835) 11.270 2.850 ( -2.540 17.800 10.764) 20.956 3.138 ( 1.364 13.755 -5.079) 14.726 3.468 ( 2.860 -3.731 5.562) 7.283 3.783 ( -0.287 -7.010 -1.460) 7.166 4.061 ( -8.261 -3.077 2.266) 9.102 4.198 ( 3.124 -0.929 -2.416) 4.057 4.261 ( 2.301 -1.753 -1.014) 3.065 4.343 ( -2.502 -2.584 -1.918) 4.076 4.428 ( 4.530 0.791 -1.345) 4.791 4.966 ( -9.536 -0.183 -1.382) 9.637 5.174 ( -1.755 -1.533 2.814) 3.654 5.185 ( 1.822 -0.902 -2.512) 3.232 5.608 ( 10.694 -3.271 -0.995) 11.227 5.679 ( -0.959 -2.563 2.234) 3.532 5.708 ( 11.737 -1.939 0.938) 11.933 6.006 ( -0.421 -2.639 1.647) 3.140 6.220 ( -10.485 3.773 -1.972) 11.317 6.570 ( -7.858 -1.967 -0.233) 8.104 18.749 ( 0.367 -0.398 0.099) 0.550 18.812 ( -0.065 -1.127 -0.033) 1.130 19.155 ( 0.419 1.714 -0.193) 1.776 19.225 ( 0.228 0.275 0.065) 0.363 41.840 ( 0.922 -0.126 -0.073) 0.934 41.845 ( 0.748 0.197 -0.012) 0.774 65.946 ( 0.634 1.222 0.840) 1.612 66.414 ( -15.660 -7.897 -2.030) 17.656 ======================= Grid point 333 (175/192) ======================= q-point: ( 0.00 0.36 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.651 ( -1.867 10.299 1.836) 10.627 1.820 ( -0.502 7.596 -1.374) 7.736 1.904 ( 2.091 6.724 -2.665) 7.529 2.053 ( 1.370 4.556 -3.472) 5.890 3.142 ( -0.723 8.628 3.845) 9.473 3.402 ( -0.643 9.304 -0.554) 9.342 3.482 ( 2.486 -2.814 6.221) 7.266 3.594 ( -2.381 -3.224 -4.959) 6.376 3.913 ( 0.859 -1.398 -0.460) 1.704 4.118 ( 0.288 -5.764 0.276) 5.778 4.227 ( -1.129 1.489 -0.262) 1.887 4.317 ( -0.018 0.407 -0.311) 0.513 4.709 ( 2.265 3.035 -1.223) 3.979 4.813 ( -0.864 4.152 -0.613) 4.285 5.077 ( -4.760 -2.981 3.924) 6.851 5.143 ( 2.465 -5.029 -2.685) 6.211 5.606 ( -0.529 -2.383 1.857) 3.067 5.706 ( 3.852 -3.825 -0.256) 5.435 5.917 ( -4.369 1.684 -1.306) 4.861 5.966 ( 4.612 0.484 -0.193) 4.641 6.089 ( -0.422 1.272 -0.376) 1.392 6.355 ( -1.869 -6.138 0.463) 6.433 18.747 ( -0.010 0.035 -0.010) 0.037 18.789 ( -0.014 -1.037 0.007) 1.037 19.190 ( 0.007 1.294 -0.123) 1.300 19.230 ( 0.032 -0.055 -0.008) 0.064 41.847 ( -0.009 0.115 -0.027) 0.119 41.855 ( 0.002 -0.212 -0.022) 0.213 66.001 ( 0.254 1.598 0.166) 1.627 66.149 ( -0.454 -3.079 -0.048) 3.112 ======================= Grid point 334 (176/192) ======================= q-point: ( 0.11 0.36 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.658 ( 1.112 9.280 4.333) 10.302 1.839 ( 2.793 6.141 -3.336) 7.526 1.975 ( 6.041 7.552 -2.085) 9.893 2.146 ( 9.050 3.475 -4.288) 10.600 3.165 ( 1.706 7.322 4.035) 8.533 3.344 ( -5.374 10.034 0.717) 11.405 3.495 ( -4.213 -1.241 -2.592) 5.100 3.561 ( 1.954 -7.018 2.699) 7.769 4.041 ( 10.289 -1.964 -1.607) 10.597 4.169 ( -2.591 1.125 2.744) 3.938 4.191 ( 4.844 -3.491 -0.931) 6.042 4.290 ( -2.592 -1.295 -0.894) 3.032 4.534 ( -8.937 6.153 -1.796) 10.998 4.919 ( -0.399 -3.657 0.437) 3.705 5.071 ( 5.516 -0.314 4.696) 7.251 5.173 ( 0.384 -3.934 -1.193) 4.129 5.545 ( -5.796 -0.939 -1.475) 6.054 5.691 ( -7.156 -3.051 -2.054) 8.046 5.705 ( -6.299 1.913 -0.338) 6.592 5.971 ( -2.108 -4.136 -1.225) 4.801 6.275 ( 12.678 3.614 0.389) 13.189 6.488 ( 11.945 -3.167 2.138) 12.541 18.745 ( -0.196 0.094 0.016) 0.218 18.789 ( -0.017 -1.063 0.030) 1.064 19.186 ( -0.324 1.339 -0.074) 1.380 19.228 ( -0.224 -0.071 -0.062) 0.243 41.838 ( -0.986 0.092 0.022) 0.991 41.848 ( -0.405 0.019 -0.022) 0.406 65.992 ( -0.142 2.038 -0.439) 2.090 66.249 ( 8.604 -6.096 0.684) 10.567 ======================= Grid point 335 (177/192) ======================= q-point: ( 0.22 0.36 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.727 ( 3.832 6.134 5.555) 9.120 1.882 ( 3.111 3.830 -5.691) 7.532 2.114 ( 7.770 7.348 -0.277) 10.698 2.348 ( 12.383 0.903 -4.975) 13.376 3.187 ( -10.771 7.920 1.382) 13.441 3.250 ( 3.729 7.840 4.405) 9.735 3.385 ( -3.969 -4.315 -3.635) 6.899 3.610 ( 1.570 -6.666 1.999) 7.134 4.027 ( -6.960 0.879 3.816) 7.986 4.189 ( -5.493 -1.477 -2.340) 6.151 4.238 ( 2.165 0.493 -3.081) 3.798 4.388 ( 13.563 -2.702 0.599) 13.842 4.449 ( 1.321 2.418 -0.325) 2.774 4.859 ( -4.268 -6.820 2.950) 8.569 5.121 ( -4.995 -0.051 0.773) 5.055 5.223 ( 6.139 -0.553 1.893) 6.448 5.429 ( -3.792 -0.819 -2.234) 4.476 5.497 ( -8.384 1.029 -1.286) 8.544 5.653 ( -1.197 -2.392 -1.383) 3.011 5.922 ( -2.129 -5.993 -1.896) 6.637 6.526 ( 11.671 6.644 1.119) 13.476 6.754 ( 12.802 -0.263 1.388) 12.880 18.741 ( -0.217 0.234 0.054) 0.323 18.789 ( -0.062 -1.116 0.027) 1.118 19.178 ( -0.404 1.387 -0.036) 1.445 19.222 ( -0.347 -0.092 -0.076) 0.367 41.816 ( -0.913 0.441 0.068) 1.016 41.842 ( -0.218 -0.047 -0.003) 0.223 65.997 ( 0.694 2.273 -0.875) 2.532 66.443 ( 9.518 -11.758 1.001) 15.161 ======================= Grid point 336 (178/192) ======================= q-point: ( 0.33 0.36 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.844 ( 4.875 3.522 3.636) 7.028 1.920 ( 3.610 2.519 -4.132) 6.037 2.260 ( 6.656 6.122 0.220) 9.046 2.582 ( 12.896 -1.045 -4.220) 13.609 2.937 ( -14.345 4.164 1.219) 14.987 3.189 ( -6.476 -2.334 -3.508) 7.726 3.451 ( 5.877 0.687 4.305) 7.317 3.635 ( 0.555 -5.222 0.667) 5.294 3.900 ( -7.126 -0.344 2.998) 7.739 4.086 ( -2.704 3.345 -3.659) 5.647 4.235 ( -0.496 -1.353 1.081) 1.801 4.519 ( 4.619 0.342 -1.630) 4.910 4.601 ( 5.645 -2.529 1.016) 6.269 4.793 ( -3.493 -8.245 3.358) 9.563 5.040 ( -2.068 3.461 -0.225) 4.038 5.307 ( 1.350 0.833 -0.940) 1.845 5.336 ( -3.864 0.315 2.222) 4.469 5.401 ( -1.362 0.466 -2.093) 2.540 5.642 ( 0.324 -4.586 -0.420) 4.617 5.871 ( -1.937 -6.444 -2.642) 7.229 6.731 ( 8.202 9.200 0.835) 12.354 6.981 ( 9.091 1.556 0.803) 9.258 18.738 ( -0.122 0.337 0.075) 0.366 18.787 ( -0.087 -1.138 0.009) 1.141 19.171 ( -0.280 1.386 -0.021) 1.414 19.215 ( -0.289 -0.127 -0.063) 0.322 41.808 ( 0.059 0.547 0.082) 0.557 41.838 ( -0.181 -0.115 0.005) 0.214 66.004 ( 0.323 2.371 -0.924) 2.565 66.608 ( 6.309 -16.367 0.870) 17.562 ======================= Grid point 337 (179/192) ======================= q-point: ( 0.44 0.36 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.889 ( 0.267 4.264 -1.631) 4.573 2.025 ( 5.384 0.732 0.337) 5.444 2.388 ( 6.441 3.284 1.451) 7.374 2.655 ( -13.340 3.447 1.093) 13.822 2.816 ( 11.444 -3.318 -2.605) 12.197 3.040 ( -7.349 -4.106 -4.134) 9.379 3.530 ( 0.942 -2.991 3.111) 4.417 3.654 ( 0.712 -5.632 -0.079) 5.678 3.795 ( -3.085 1.525 1.954) 3.957 4.049 ( -0.298 7.429 -2.055) 7.714 4.244 ( 0.456 -5.924 1.879) 6.231 4.580 ( 1.010 2.258 -1.292) 2.790 4.644 ( 0.189 -1.402 1.835) 2.317 4.754 ( -1.072 -8.713 2.106) 9.028 5.025 ( -0.017 3.076 -1.600) 3.468 5.291 ( 0.043 4.585 1.223) 4.746 5.326 ( -0.337 -3.286 -1.032) 3.461 5.384 ( -0.123 3.708 -0.090) 3.711 5.652 ( 0.480 -6.014 0.228) 6.037 5.827 ( -1.457 -7.122 -2.095) 7.566 6.848 ( 3.175 10.618 0.174) 11.084 7.109 ( 3.339 2.490 0.400) 4.184 18.737 ( -0.017 0.377 0.053) 0.381 18.786 ( -0.047 -1.133 0.005) 1.134 19.167 ( -0.089 1.365 -0.019) 1.368 19.211 ( -0.110 -0.155 -0.044) 0.195 41.816 ( 0.502 0.377 0.041) 0.629 41.833 ( -0.309 -0.038 -0.018) 0.311 66.003 ( -0.095 2.546 -0.601) 2.618 66.696 ( 2.317 -18.782 0.315) 18.927 ======================= Grid point 338 (180/192) ======================= q-point: (-0.44 0.36 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.871 ( -1.557 4.841 0.108) 5.086 2.061 ( -1.411 -0.468 -3.132) 3.467 2.397 ( -8.793 4.190 0.106) 9.741 2.600 ( 8.093 -2.750 6.343) 10.644 2.851 ( -7.954 1.667 -5.887) 10.035 3.001 ( 7.202 -3.226 0.265) 7.896 3.554 ( 0.378 -4.183 0.830) 4.282 3.655 ( 0.336 -6.536 -0.401) 6.557 3.802 ( 2.308 3.640 1.642) 4.612 4.046 ( 0.750 7.458 -1.952) 7.746 4.248 ( -0.841 -5.959 1.420) 6.183 4.546 ( -3.783 1.499 2.112) 4.584 4.655 ( 0.476 -1.277 1.034) 1.711 4.783 ( 2.745 -8.392 -0.849) 8.870 5.021 ( 0.495 2.700 -1.214) 3.002 5.300 ( 0.213 4.545 -0.755) 4.612 5.323 ( 0.507 -3.350 0.499) 3.425 5.385 ( 0.111 4.410 -0.419) 4.431 5.656 ( -0.221 -5.690 0.090) 5.695 5.802 ( -0.476 -7.627 0.204) 7.645 6.856 ( -2.308 10.478 -0.594) 10.746 7.113 ( -3.092 2.566 0.066) 4.019 18.737 ( 0.063 0.377 -0.006) 0.383 18.786 ( 0.032 -1.129 0.017) 1.129 19.167 ( 0.109 1.364 -0.029) 1.368 19.211 ( 0.105 -0.154 -0.026) 0.188 41.817 ( -0.402 0.331 -0.099) 0.530 41.833 ( 0.329 -0.038 0.008) 0.332 65.998 ( -0.255 2.789 -0.091) 2.802 66.704 ( -1.505 -19.071 -0.482) 19.137 ======================= Grid point 339 (181/192) ======================= q-point: (-0.33 0.36 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.835 ( -2.497 4.901 2.295) 5.960 1.977 ( -3.823 -1.615 -7.297) 8.395 2.233 ( -8.214 6.715 2.491) 10.898 2.543 ( -12.055 -4.562 0.546) 12.900 2.938 ( 13.679 6.989 0.192) 15.362 3.123 ( 4.930 -0.441 3.314) 5.957 3.508 ( -5.895 -0.555 -1.052) 6.014 3.656 ( 0.383 -5.417 -1.355) 5.597 3.908 ( 7.216 2.661 2.533) 8.097 4.072 ( 3.210 4.517 -2.934) 6.271 4.233 ( -1.166 -3.291 0.996) 3.630 4.476 ( -3.875 -0.334 2.716) 4.744 4.633 ( -4.591 -2.262 -1.545) 5.346 4.830 ( 2.469 -9.387 -0.200) 9.708 5.053 ( 3.920 3.091 -1.852) 5.324 5.301 ( 0.074 0.889 -0.671) 1.117 5.349 ( 1.075 0.627 2.832) 3.094 5.386 ( 1.402 1.970 -2.130) 3.222 5.644 ( -0.822 -4.951 -0.588) 5.053 5.816 ( 1.340 -6.828 2.891) 7.535 6.755 ( -7.313 8.853 -1.491) 11.580 6.991 ( -8.795 1.767 -0.253) 8.974 18.739 ( 0.136 0.346 -0.059) 0.377 18.787 ( 0.088 -1.131 0.025) 1.135 19.171 ( 0.307 1.380 -0.053) 1.415 19.214 ( 0.278 -0.119 -0.000) 0.302 41.810 ( -0.050 0.468 -0.129) 0.488 41.839 ( 0.208 -0.138 -0.032) 0.252 65.991 ( -0.463 2.988 0.365) 3.046 66.629 ( -5.779 -17.158 -1.214) 18.146 ======================= Grid point 340 (182/192) ======================= q-point: (-0.22 0.36 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.783 ( -4.156 5.908 3.352) 7.963 1.888 ( -0.893 -0.300 -9.800) 9.845 2.080 ( -8.494 7.855 3.361) 12.048 2.304 ( -11.072 0.498 -0.573) 11.098 3.168 ( 5.379 11.568 2.485) 12.997 3.247 ( 6.807 2.977 4.672) 8.777 3.367 ( -4.735 -0.093 -1.007) 4.842 3.656 ( 0.159 -6.076 -2.506) 6.574 4.078 ( 7.933 1.429 2.027) 8.311 4.137 ( 2.014 2.997 -1.827) 4.047 4.201 ( -1.708 -3.170 1.004) 3.738 4.416 ( -4.601 -2.770 -0.322) 5.380 4.456 ( -7.552 0.430 -2.162) 7.867 4.888 ( 3.043 -8.238 0.472) 8.795 5.143 ( 3.948 1.211 -2.137) 4.650 5.268 ( -3.450 0.154 -2.086) 4.035 5.376 ( 2.914 -0.465 3.003) 4.210 5.484 ( 7.917 -0.395 -0.137) 7.928 5.632 ( 0.222 -2.292 0.618) 2.384 5.873 ( 2.753 -5.754 3.192) 7.133 6.560 ( -11.251 6.373 -2.272) 13.129 6.774 ( -12.322 0.001 -0.676) 12.340 18.742 ( 0.194 0.263 -0.069) 0.334 18.789 ( 0.072 -1.121 0.013) 1.123 19.179 ( 0.441 1.372 -0.095) 1.444 19.221 ( 0.342 -0.072 0.031) 0.351 41.818 ( 0.875 0.378 -0.091) 0.958 41.842 ( 0.214 -0.070 -0.046) 0.230 65.983 ( -0.504 2.958 0.549) 3.051 66.467 ( -9.589 -12.726 -1.415) 15.997 ======================= Grid point 341 (183/192) ======================= q-point: (-0.11 0.36 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.707 ( -4.000 7.989 1.572) 9.072 1.854 ( 0.384 3.471 -8.224) 8.935 1.936 ( -6.211 8.464 3.243) 10.988 2.119 ( -6.484 3.554 -1.734) 7.594 3.163 ( -2.982 11.872 3.705) 12.789 3.372 ( 3.769 7.932 -0.805) 8.818 3.398 ( 3.808 -2.349 5.339) 6.966 3.640 ( -0.495 -5.557 -3.901) 6.807 4.014 ( -9.721 -1.007 1.417) 9.875 4.165 ( -2.718 -3.207 1.438) 4.443 4.218 ( 1.797 -0.625 -2.498) 3.140 4.306 ( 0.684 -1.574 -2.561) 3.083 4.511 ( 9.118 6.150 0.711) 11.021 4.922 ( -1.602 -4.151 0.322) 4.462 5.141 ( -2.093 -1.481 -1.748) 3.103 5.167 ( -4.615 -1.072 -0.959) 4.834 5.523 ( 8.798 -3.171 0.657) 9.375 5.614 ( 2.456 -2.982 3.987) 5.552 5.724 ( 10.752 1.754 -0.845) 10.927 5.941 ( 2.717 -3.813 1.851) 5.034 6.299 ( -13.536 3.903 -2.012) 14.230 6.521 ( -11.888 -2.904 -1.193) 12.296 18.746 ( 0.167 0.127 -0.040) 0.214 18.790 ( 0.009 -1.078 -0.004) 1.078 19.186 ( 0.353 1.320 -0.135) 1.373 19.227 ( 0.257 -0.048 0.038) 0.264 41.839 ( 0.954 0.061 -0.055) 0.958 41.848 ( 0.400 0.018 -0.026) 0.401 65.983 ( 0.501 2.449 0.451) 2.540 66.265 ( -9.208 -6.717 -0.865) 11.430 ======================= Grid point 342 (184/192) ======================= q-point: ( 0.00 0.45 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.829 ( -0.142 6.623 -0.815) 6.675 1.900 ( 0.812 0.030 -3.154) 3.257 2.034 ( 0.699 5.360 0.449) 5.424 2.097 ( 0.772 -0.530 -0.860) 1.271 3.254 ( -0.855 3.687 0.543) 3.824 3.344 ( -0.044 -5.593 -1.109) 5.702 3.561 ( 0.104 4.478 3.146) 5.473 3.610 ( -1.471 0.652 0.499) 1.685 3.930 ( 0.609 2.678 0.005) 2.746 4.007 ( 0.516 -4.759 0.011) 4.787 4.270 ( -0.373 2.482 -0.546) 2.569 4.313 ( -0.163 -1.226 -0.108) 1.242 4.783 ( 0.965 4.192 -0.763) 4.369 4.853 ( 0.710 -1.238 -0.663) 1.574 5.026 ( -3.609 -0.720 2.012) 4.194 5.057 ( 0.326 -3.050 -0.273) 3.079 5.588 ( 1.229 0.750 0.118) 1.445 5.632 ( 2.233 -3.270 0.172) 3.964 5.951 ( -0.573 1.362 -0.317) 1.511 5.968 ( 2.906 -0.347 -0.013) 2.927 6.135 ( -1.632 3.513 -0.561) 3.914 6.231 ( -2.216 -5.701 -0.195) 6.119 18.754 ( -0.014 0.571 -0.028) 0.572 18.769 ( -0.009 -0.903 -0.010) 0.903 19.212 ( 0.011 0.874 -0.072) 0.878 19.225 ( 0.020 -0.454 -0.035) 0.456 41.849 ( 0.002 0.117 -0.038) 0.123 41.852 ( 0.005 -0.152 -0.037) 0.156 66.039 ( 0.039 2.202 0.081) 2.204 66.090 ( -0.175 -2.736 0.002) 2.742 ======================= Grid point 343 (185/192) ======================= q-point: ( 0.11 0.45 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.828 ( 0.458 6.722 -0.459) 6.753 1.904 ( 1.048 -0.269 -3.280) 3.453 2.108 ( 6.172 5.176 -0.799) 8.095 2.173 ( 6.955 -0.997 -2.054) 7.320 3.267 ( 1.908 3.491 2.014) 4.459 3.349 ( 0.683 -4.888 -0.997) 5.035 3.518 ( -5.870 2.666 0.840) 6.502 3.544 ( -5.090 1.147 4.041) 6.599 4.041 ( 9.173 1.712 -0.736) 9.360 4.100 ( 7.833 -3.835 -0.136) 8.722 4.217 ( -4.061 2.347 -0.424) 4.709 4.262 ( -4.305 -1.834 -0.723) 4.735 4.669 ( -7.201 6.925 -0.291) 9.995 4.808 ( -5.213 -6.528 0.692) 8.383 5.080 ( 5.571 0.949 2.516) 6.186 5.110 ( 2.831 -2.172 0.847) 3.668 5.551 ( -4.364 1.666 -2.949) 5.524 5.609 ( -4.078 -3.772 -3.274) 6.448 5.780 ( -8.124 4.458 0.238) 9.270 5.877 ( -5.735 -4.865 -0.537) 7.540 6.348 ( 14.768 3.559 1.014) 15.224 6.420 ( 14.652 -3.488 1.668) 15.153 18.753 ( -0.107 0.606 0.012) 0.616 18.769 ( -0.060 -0.930 0.013) 0.932 19.209 ( -0.272 0.908 -0.060) 0.950 19.223 ( -0.241 -0.474 -0.058) 0.535 41.841 ( -0.695 0.224 -0.018) 0.730 41.846 ( -0.442 -0.180 -0.031) 0.478 66.049 ( 1.095 3.552 -0.047) 3.717 66.136 ( 4.063 -4.984 0.278) 6.436 ======================= Grid point 344 (186/192) ======================= q-point: ( 0.22 0.45 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.850 ( 2.129 5.260 -0.254) 5.680 1.916 ( 1.700 -0.809 -3.664) 4.119 2.248 ( 7.663 5.545 -0.944) 9.506 2.331 ( 9.453 -2.525 -2.953) 10.220 3.276 ( -9.520 1.700 0.646) 9.692 3.310 ( -4.566 -2.498 -2.498) 5.772 3.398 ( -0.339 6.237 4.057) 7.448 3.502 ( 0.772 -4.415 3.474) 5.671 4.060 ( -7.013 2.455 2.557) 7.858 4.124 ( -6.273 -3.523 1.492) 7.348 4.273 ( 8.300 2.142 -3.966) 9.444 4.327 ( 12.044 -3.017 -2.102) 12.593 4.557 ( -3.734 7.073 1.003) 8.061 4.709 ( -4.875 -7.634 2.034) 9.284 5.143 ( -0.091 1.840 1.155) 2.175 5.187 ( 3.916 -2.354 1.620) 4.847 5.436 ( -4.641 1.411 -1.956) 5.231 5.479 ( -5.960 -2.375 -2.271) 6.806 5.680 ( -2.908 4.478 -1.304) 5.496 5.795 ( -2.793 -6.277 -1.480) 7.028 6.645 ( 13.876 4.952 1.184) 14.781 6.723 ( 14.282 -2.722 1.281) 14.595 18.750 ( -0.128 0.664 0.046) 0.678 18.767 ( -0.093 -0.966 0.025) 0.971 19.202 ( -0.379 0.941 -0.047) 1.015 19.216 ( -0.365 -0.488 -0.063) 0.613 41.827 ( -0.607 0.558 0.005) 0.825 41.837 ( -0.366 -0.397 -0.019) 0.540 66.078 ( 1.631 5.720 -0.150) 5.950 66.229 ( 4.682 -9.092 0.392) 10.234 ======================= Grid point 345 (187/192) ======================= q-point: ( 0.33 0.45 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.914 ( 3.990 2.895 -0.221) 4.935 1.947 ( 2.983 -0.157 -2.831) 4.115 2.384 ( 5.796 6.092 -0.710) 8.438 2.505 ( 8.450 -5.494 -3.067) 10.535 3.031 ( -12.771 4.520 0.514) 13.557 3.119 ( -9.512 -4.092 -2.058) 10.557 3.482 ( 2.776 2.423 2.692) 4.563 3.547 ( 1.340 -3.719 1.154) 4.118 3.932 ( -5.914 3.522 2.678) 7.386 4.028 ( -3.030 -5.337 1.457) 6.308 4.351 ( 0.276 8.714 -1.428) 8.834 4.509 ( 5.521 -5.165 -2.084) 7.842 4.560 ( 3.262 1.666 1.897) 4.125 4.639 ( -2.627 -6.028 2.122) 6.910 5.132 ( -0.530 5.207 -0.775) 5.291 5.240 ( 0.994 -5.039 -0.878) 5.210 5.367 ( -1.922 2.054 1.512) 3.194 5.410 ( -0.459 -1.415 1.039) 1.814 5.627 ( -1.800 3.487 -2.348) 4.573 5.738 ( -2.182 -6.449 -2.674) 7.314 6.888 ( 9.730 6.070 0.766) 11.494 6.974 ( 9.985 -2.291 0.772) 10.273 18.748 ( -0.084 0.690 0.057) 0.698 18.765 ( -0.084 -0.971 0.022) 0.975 19.195 ( -0.295 0.938 -0.037) 0.984 19.209 ( -0.304 -0.490 -0.055) 0.579 41.821 ( -0.016 0.648 0.014) 0.648 41.832 ( -0.119 -0.454 -0.014) 0.469 66.104 ( 0.979 7.537 -0.180) 7.603 66.310 ( 3.100 -12.608 0.340) 12.988 ======================= Grid point 346 (188/192) ======================= q-point: ( 0.44 0.45 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.969 ( 1.627 3.442 -1.328) 4.032 2.021 ( 3.858 -1.423 -0.472) 4.139 2.455 ( 1.542 4.158 0.495) 4.463 2.570 ( -2.785 -6.796 -1.336) 7.465 2.883 ( 0.314 5.249 -0.379) 5.272 2.971 ( -4.156 -3.395 -2.515) 5.927 3.493 ( -1.017 0.340 0.745) 1.306 3.547 ( -1.132 -4.475 -0.439) 4.636 3.877 ( -0.649 5.909 2.328) 6.384 4.016 ( 0.506 -7.095 1.109) 7.199 4.329 ( -1.338 10.312 1.127) 10.459 4.541 ( -1.159 -9.529 2.028) 9.811 4.618 ( 1.751 0.759 0.513) 1.976 4.637 ( 0.849 -1.198 0.033) 1.469 5.118 ( -0.327 5.516 -2.215) 5.954 5.232 ( -0.466 -5.408 -2.065) 5.808 5.375 ( 1.201 3.899 2.656) 4.868 5.437 ( 1.507 -0.716 2.331) 2.867 5.589 ( -1.102 1.498 -1.899) 2.658 5.686 ( -1.849 -6.474 -2.712) 7.259 7.025 ( 3.643 6.637 0.219) 7.574 7.114 ( 3.684 -2.055 0.304) 4.230 18.748 ( -0.016 0.683 0.037) 0.684 18.764 ( -0.032 -0.952 0.014) 0.952 19.190 ( -0.103 0.918 -0.033) 0.925 19.205 ( -0.114 -0.483 -0.044) 0.498 41.824 ( 0.232 0.400 -0.005) 0.462 41.831 ( -0.087 -0.229 -0.026) 0.246 66.115 ( 0.249 8.624 -0.139) 8.629 66.353 ( 1.098 -14.571 0.122) 14.613 ======================= Grid point 347 (189/192) ======================= q-point: (-0.44 0.45 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.962 ( -1.889 4.133 -0.616) 4.586 2.034 ( -2.522 -2.547 -1.633) 3.939 2.446 ( -3.935 1.995 0.950) 4.513 2.510 ( -1.047 -4.277 4.169) 6.064 2.920 ( 1.751 3.371 -3.563) 5.208 2.967 ( 5.922 -1.179 -1.761) 6.290 3.497 ( 1.138 -0.500 0.386) 1.301 3.541 ( 1.130 -4.381 -0.061) 4.525 3.898 ( 1.936 5.808 0.300) 6.130 4.030 ( 0.622 -6.562 -0.395) 6.603 4.322 ( -0.143 10.168 1.913) 10.348 4.518 ( -2.473 -6.908 3.618) 8.181 4.628 ( 0.008 -0.659 0.779) 1.021 4.648 ( -0.264 -2.551 -1.485) 2.964 5.109 ( 0.477 5.318 -1.448) 5.532 5.221 ( 0.170 -5.384 -1.176) 5.513 5.406 ( 0.738 4.595 0.562) 4.687 5.458 ( -0.131 1.318 -0.162) 1.335 5.574 ( 0.065 -0.812 -0.240) 0.849 5.653 ( -0.374 -6.590 -0.070) 6.601 7.031 ( -3.046 6.565 -0.338) 7.245 7.119 ( -3.261 -2.011 -0.142) 3.834 18.748 ( 0.050 0.668 -0.006) 0.670 18.764 ( 0.039 -0.936 0.004) 0.937 19.190 ( 0.119 0.913 -0.036) 0.921 19.204 ( 0.119 -0.477 -0.034) 0.493 41.825 ( -0.182 0.365 -0.061) 0.412 41.831 ( 0.111 -0.208 -0.024) 0.237 66.115 ( -0.277 8.818 -0.066) 8.822 66.356 ( -0.778 -14.772 -0.192) 14.793 ======================= Grid point 348 (190/192) ======================= q-point: (-0.33 0.45 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.910 ( -2.659 2.540 0.297) 3.689 1.947 ( -3.998 -1.419 -2.767) 5.065 2.350 ( -6.410 4.965 2.340) 8.439 2.446 ( -7.202 -4.694 2.733) 9.020 3.051 ( 11.448 4.124 -1.397) 12.248 3.110 ( 8.939 -1.474 -0.350) 9.066 3.503 ( -1.882 1.013 0.154) 2.143 3.559 ( -0.014 -4.058 -0.406) 4.079 3.971 ( 5.850 3.792 -1.024) 7.046 4.057 ( 3.242 -4.236 -1.756) 5.616 4.318 ( -2.071 8.743 1.888) 9.181 4.461 ( -4.684 -3.139 2.961) 6.369 4.590 ( -4.381 -0.582 -1.032) 4.538 4.654 ( 2.030 -6.675 0.831) 7.026 5.133 ( 2.548 4.485 -1.253) 5.308 5.228 ( 0.606 -4.668 -0.410) 4.725 5.414 ( 1.033 2.472 -2.386) 3.588 5.436 ( -1.534 1.439 -1.140) 2.393 5.588 ( 1.374 0.869 1.176) 2.007 5.679 ( 1.998 -6.421 3.293) 7.488 6.906 ( -9.046 5.856 -0.996) 10.822 6.988 ( -9.496 -2.138 -0.630) 9.754 18.749 ( 0.102 0.658 -0.049) 0.667 18.766 ( 0.091 -0.936 -0.008) 0.940 19.195 ( 0.314 0.921 -0.044) 0.974 19.209 ( 0.309 -0.471 -0.022) 0.563 41.822 ( 0.028 0.604 -0.074) 0.609 41.833 ( 0.140 -0.440 -0.043) 0.464 66.102 ( -0.977 8.026 0.003) 8.085 66.318 ( -2.910 -13.124 -0.461) 13.451 ======================= Grid point 349 (191/192) ======================= q-point: (-0.22 0.45 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.865 ( -2.140 2.372 0.194) 3.201 1.889 ( -0.302 -0.170 -2.657) 2.679 2.216 ( -7.585 5.287 2.127) 9.487 2.290 ( -8.288 -2.049 1.068) 8.604 3.267 ( 7.524 1.450 1.252) 7.763 3.302 ( 9.124 -0.296 -0.055) 9.129 3.427 ( -3.788 6.165 0.338) 7.244 3.545 ( 0.067 -5.091 -1.530) 5.316 4.104 ( 6.829 1.662 -0.984) 7.097 4.144 ( 4.805 -2.029 -0.772) 5.273 4.220 ( -7.762 4.186 0.741) 8.850 4.319 ( -9.645 -5.308 -1.428) 11.101 4.551 ( 1.806 7.183 1.744) 7.609 4.716 ( 3.592 -8.548 1.712) 9.428 5.176 ( 0.899 1.899 -2.335) 3.141 5.222 ( -1.350 -2.742 -1.868) 3.582 5.414 ( 1.145 2.296 0.301) 2.583 5.457 ( 3.963 -1.965 -0.238) 4.430 5.646 ( 4.006 3.598 1.977) 5.736 5.751 ( 3.804 -5.992 3.054) 7.727 6.674 ( -13.334 4.735 -1.712) 14.253 6.749 ( -13.724 -2.530 -1.211) 14.008 18.751 ( 0.123 0.636 -0.070) 0.652 18.768 ( 0.095 -0.934 -0.021) 0.939 19.202 ( 0.403 0.913 -0.059) 0.999 19.216 ( 0.376 -0.458 -0.012) 0.592 41.828 ( 0.601 0.526 -0.061) 0.801 41.837 ( 0.372 -0.390 -0.047) 0.541 66.076 ( -1.593 6.262 0.050) 6.461 66.238 ( -4.725 -9.679 -0.511) 10.783 ======================= Grid point 350 (192/192) ======================= q-point: (-0.11 0.45 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.838 ( -0.536 4.763 -0.717) 4.847 1.891 ( 1.174 -0.239 -2.821) 3.065 2.084 ( -5.713 5.552 1.682) 8.142 2.150 ( -5.490 -0.769 0.179) 5.547 3.290 ( -2.598 2.642 -0.764) 3.783 3.356 ( -0.286 -3.493 -0.567) 3.551 3.496 ( 5.148 6.438 2.676) 8.667 3.587 ( 3.363 -1.896 -0.434) 3.885 4.024 ( -9.202 1.855 1.100) 9.452 4.085 ( -7.657 -3.929 1.164) 8.684 4.234 ( 4.242 1.690 -2.096) 5.025 4.272 ( 4.208 -1.824 -1.992) 5.001 4.654 ( 7.146 7.581 1.342) 10.504 4.805 ( 4.295 -6.940 1.143) 8.242 5.124 ( -4.432 -0.026 -1.799) 4.784 5.139 ( -5.664 -1.342 -1.826) 6.100 5.505 ( 5.962 1.198 1.538) 6.272 5.552 ( 4.393 -2.982 2.302) 5.787 5.776 ( 8.785 3.359 0.573) 9.423 5.856 ( 5.951 -4.284 1.557) 7.496 6.378 ( -14.999 3.828 -1.968) 15.604 6.454 ( -14.481 -3.577 -1.739) 15.017 18.753 ( 0.085 0.594 -0.060) 0.603 18.769 ( 0.050 -0.915 -0.024) 0.917 19.209 ( 0.296 0.883 -0.073) 0.934 19.222 ( 0.270 -0.447 -0.014) 0.522 41.842 ( 0.691 0.208 -0.048) 0.724 41.846 ( 0.448 -0.174 -0.040) 0.482 66.047 ( -1.063 3.899 0.086) 4.042 66.142 ( -4.294 -5.364 -0.301) 6.877 =================== 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 3/20790 10.0 245.670 277.296 216.908 0.000 -1.008 0.000 3/20790 20.0 101.175 87.409 64.278 0.000 -4.046 0.000 3/20790 30.0 42.500 36.623 27.256 0.000 -2.083 0.000 3/20790 40.0 22.249 19.252 14.390 0.000 -1.115 0.000 3/20790 50.0 14.070 12.166 9.054 0.000 -0.700 0.000 3/20790 60.0 10.097 8.707 6.427 0.000 -0.497 0.000 3/20790 70.0 7.861 6.759 4.943 0.000 -0.382 0.000 3/20790 80.0 6.457 5.535 4.012 0.000 -0.311 0.000 3/20790 90.0 5.500 4.701 3.380 0.000 -0.262 0.000 3/20790 100.0 4.805 4.098 2.926 0.000 -0.227 0.000 3/20790 110.0 4.276 3.640 2.583 0.000 -0.200 0.000 3/20790 120.0 3.860 3.280 2.316 0.000 -0.180 0.000 3/20790 130.0 3.522 2.989 2.101 0.000 -0.163 0.000 3/20790 140.0 3.242 2.748 1.924 0.000 -0.149 0.000 3/20790 150.0 3.006 2.546 1.776 0.000 -0.138 0.000 3/20790 160.0 2.804 2.373 1.650 0.000 -0.129 0.000 3/20790 170.0 2.630 2.223 1.542 0.000 -0.121 0.000 3/20790 180.0 2.479 2.093 1.448 0.000 -0.115 0.000 3/20790 190.0 2.346 1.978 1.365 0.000 -0.110 0.000 3/20790 200.0 2.229 1.876 1.292 0.000 -0.106 0.000 3/20790 210.0 2.126 1.786 1.227 0.000 -0.104 0.000 3/20790 220.0 2.035 1.704 1.169 0.000 -0.102 0.000 3/20790 230.0 1.955 1.632 1.117 0.000 -0.102 0.000 3/20790 240.0 1.883 1.566 1.070 0.000 -0.102 0.000 3/20790 250.0 1.820 1.506 1.027 0.000 -0.104 0.000 3/20790 260.0 1.764 1.452 0.989 0.000 -0.106 0.000 3/20790 270.0 1.715 1.403 0.953 0.000 -0.108 0.000 3/20790 280.0 1.671 1.359 0.921 0.000 -0.112 0.000 3/20790 290.0 1.632 1.318 0.892 0.000 -0.116 0.000 3/20790 300.0 1.598 1.281 0.864 0.000 -0.120 0.000 3/20790 310.0 1.567 1.246 0.839 0.000 -0.125 0.000 3/20790 320.0 1.541 1.215 0.816 0.000 -0.130 0.000 3/20790 330.0 1.517 1.186 0.795 0.000 -0.135 0.000 3/20790 340.0 1.496 1.159 0.775 0.000 -0.140 0.000 3/20790 350.0 1.478 1.135 0.756 0.000 -0.145 0.000 3/20790 360.0 1.461 1.113 0.739 0.000 -0.151 0.000 3/20790 370.0 1.447 1.092 0.723 0.000 -0.156 0.000 3/20790 380.0 1.434 1.072 0.708 0.000 -0.162 0.000 3/20790 390.0 1.423 1.055 0.694 0.000 -0.167 0.000 3/20790 400.0 1.413 1.038 0.681 0.000 -0.172 0.000 3/20790 410.0 1.404 1.023 0.668 0.000 -0.177 0.000 3/20790 420.0 1.396 1.009 0.656 0.000 -0.182 0.000 3/20790 430.0 1.389 0.996 0.645 0.000 -0.187 0.000 3/20790 440.0 1.383 0.984 0.634 0.000 -0.192 0.000 3/20790 450.0 1.377 0.973 0.624 0.000 -0.196 0.000 3/20790 460.0 1.371 0.962 0.614 0.000 -0.200 0.000 3/20790 470.0 1.367 0.953 0.605 0.000 -0.204 0.000 3/20790 480.0 1.362 0.944 0.597 0.000 -0.208 0.000 3/20790 490.0 1.358 0.935 0.588 0.000 -0.211 0.000 3/20790 500.0 1.355 0.928 0.580 0.000 -0.215 0.000 3/20790 510.0 1.351 0.921 0.572 0.000 -0.218 0.000 3/20790 520.0 1.348 0.914 0.565 0.000 -0.221 0.000 3/20790 530.0 1.345 0.908 0.558 0.000 -0.224 0.000 3/20790 540.0 1.342 0.902 0.551 0.000 -0.226 0.000 3/20790 550.0 1.339 0.897 0.544 0.000 -0.228 0.000 3/20790 560.0 1.336 0.892 0.538 0.000 -0.231 0.000 3/20790 570.0 1.333 0.887 0.532 0.000 -0.233 0.000 3/20790 580.0 1.331 0.883 0.526 0.000 -0.234 0.000 3/20790 590.0 1.328 0.879 0.520 0.000 -0.236 0.000 3/20790 600.0 1.326 0.875 0.514 0.000 -0.238 0.000 3/20790 610.0 1.323 0.872 0.509 0.000 -0.239 0.000 3/20790 620.0 1.320 0.868 0.503 0.000 -0.240 0.000 3/20790 630.0 1.318 0.865 0.498 0.000 -0.241 0.000 3/20790 640.0 1.315 0.862 0.493 0.000 -0.242 0.000 3/20790 650.0 1.313 0.860 0.488 0.000 -0.243 0.000 3/20790 660.0 1.310 0.857 0.483 0.000 -0.244 0.000 3/20790 670.0 1.307 0.855 0.479 0.000 -0.244 0.000 3/20790 680.0 1.304 0.852 0.474 0.000 -0.245 0.000 3/20790 690.0 1.302 0.850 0.470 0.000 -0.245 0.000 3/20790 700.0 1.299 0.848 0.465 0.000 -0.245 0.000 3/20790 710.0 1.296 0.846 0.461 0.000 -0.246 0.000 3/20790 720.0 1.293 0.844 0.457 0.000 -0.246 0.000 3/20790 730.0 1.290 0.843 0.453 0.000 -0.246 0.000 3/20790 740.0 1.287 0.841 0.449 0.000 -0.246 0.000 3/20790 750.0 1.284 0.839 0.445 0.000 -0.246 0.000 3/20790 760.0 1.281 0.838 0.441 0.000 -0.245 0.000 3/20790 770.0 1.278 0.836 0.437 0.000 -0.245 0.000 3/20790 780.0 1.275 0.835 0.434 0.000 -0.245 0.000 3/20790 790.0 1.272 0.834 0.430 0.000 -0.244 0.000 3/20790 800.0 1.268 0.832 0.426 0.000 -0.244 0.000 3/20790 810.0 1.265 0.831 0.423 0.000 -0.244 0.000 3/20790 820.0 1.262 0.829 0.420 0.000 -0.243 0.000 3/20790 830.0 1.258 0.828 0.416 0.000 -0.242 0.000 3/20790 840.0 1.255 0.827 0.413 0.000 -0.242 0.000 3/20790 850.0 1.251 0.826 0.410 0.000 -0.241 0.000 3/20790 860.0 1.248 0.824 0.406 0.000 -0.241 0.000 3/20790 870.0 1.244 0.823 0.403 0.000 -0.240 0.000 3/20790 880.0 1.241 0.822 0.400 0.000 -0.239 0.000 3/20790 890.0 1.237 0.821 0.397 0.000 -0.238 0.000 3/20790 900.0 1.234 0.820 0.394 0.000 -0.237 0.000 3/20790 910.0 1.230 0.818 0.391 0.000 -0.237 0.000 3/20790 920.0 1.226 0.817 0.388 0.000 -0.236 0.000 3/20790 930.0 1.223 0.816 0.385 0.000 -0.235 0.000 3/20790 940.0 1.219 0.815 0.382 0.000 -0.234 0.000 3/20790 950.0 1.215 0.814 0.380 0.000 -0.233 0.000 3/20790 960.0 1.211 0.812 0.377 0.000 -0.232 0.000 3/20790 970.0 1.208 0.811 0.374 0.000 -0.231 0.000 3/20790 980.0 1.204 0.810 0.371 0.000 -0.230 0.000 3/20790 990.0 1.200 0.809 0.369 0.000 -0.229 0.000 3/20790 1000.0 1.196 0.808 0.366 0.000 -0.228 0.000 3/20790 Thermal conductivity related properties were written into "kappa-m9117.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 18:46:38]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|