----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 22:24:48]------------------------- Compiled with OpenMP support (max 48 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 2] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.453666170381258 0.000000000000000 0.000000000000000 b 0.000000000000000 6.633225950000000 0.000000000000000 c -3.219494712361913 0.000000000000000 6.013715495588691 Atomic positions (fractional): *1 O 0.00000000000000 0.50000000000000 0.50000000000000 15.999 *2 O 0.37057790243911 0.39858946385096 0.26608524632930 15.999 3 O 0.62942209756089 0.89858946385096 0.23391475367070 15.999 4 O 0.62942209756089 0.60141053614904 0.73391475367070 15.999 5 O 0.00000000000000 0.00000000000000 0.00000000000000 15.999 6 O 0.37057790243911 0.10141053614904 0.76608524632930 15.999 *7 K 0.15986712819008 0.65319557995197 0.91215048647261 39.098 8 K 0.15986712819008 0.84680442004803 0.41215048647261 39.098 9 K 0.84013287180992 0.34680442004803 0.08784951352739 39.098 10 K 0.84013287180992 0.15319557995197 0.58784951352739 39.098 *11 Cd 0.66067189103112 0.87499480785154 0.92112676519480 112.411 12 Cd 0.66067189103112 0.62500519214846 0.42112676519480 112.411 13 Cd 0.33932810896888 0.12500519214847 0.07887323480520 112.411 14 Cd 0.33932810896888 0.37499480785153 0.57887323480520 112.411 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.453666170381258 0.000000000000000 0.000000000000000 b 0.000000000000000 6.633225950000000 0.000000000000000 c -3.219494712361913 0.000000000000000 6.013715495588691 Atomic positions (fractional): *1 O 0.00000000000000 0.50000000000000 0.50000000000000 15.999 > 1 *2 O 0.37057790243911 0.39858946385096 0.26608524632930 15.999 > 2 3 O 0.62942209756089 0.89858946385096 0.23391475367070 15.999 > 3 4 O 0.62942209756089 0.60141053614904 0.73391475367070 15.999 > 4 5 O 0.00000000000000 0.00000000000000 0.00000000000000 15.999 > 5 6 O 0.37057790243911 0.10141053614904 0.76608524632930 15.999 > 6 *7 K 0.15986712819008 0.65319557995197 0.91215048647261 39.098 > 7 8 K 0.15986712819008 0.84680442004803 0.41215048647261 39.098 > 8 9 K 0.84013287180992 0.34680442004803 0.08784951352739 39.098 > 9 10 K 0.84013287180992 0.15319557995197 0.58784951352739 39.098 > 10 *11 Cd 0.66067189103112 0.87499480785154 0.92112676519480 112.411 > 11 12 Cd 0.66067189103112 0.62500519214846 0.42112676519480 112.411 > 12 13 Cd 0.33932810896888 0.12500519214847 0.07887323480520 112.411 > 13 14 Cd 0.33932810896888 0.37499480785153 0.57887323480520 112.411 > 14 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.907332340762515 0.000000000000000 0.000000000000000 b 0.000000000000000 13.266451900000000 0.000000000000000 c -6.438989424723826 0.000000000000000 12.027430991177383 Atomic positions (fractional): *1 O 0.00000000000000 0.25000000000000 0.25000000000000 15.999 > 1 2 O 0.50000000000000 0.25000000000000 0.25000000000000 15.999 > 1 3 O 0.00000000000000 0.75000000000000 0.25000000000000 15.999 > 1 4 O 0.50000000000000 0.75000000000000 0.25000000000000 15.999 > 1 5 O 0.00000000000000 0.25000000000000 0.75000000000000 15.999 > 1 6 O 0.50000000000000 0.25000000000000 0.75000000000000 15.999 > 1 7 O 0.00000000000000 0.75000000000000 0.75000000000000 15.999 > 1 8 O 0.50000000000000 0.75000000000000 0.75000000000000 15.999 > 1 *9 O 0.18528895121956 0.19929473192548 0.13304262316465 15.999 > 2 10 O 0.68528895121956 0.19929473192548 0.13304262316465 15.999 > 2 11 O 0.18528895121956 0.69929473192548 0.13304262316465 15.999 > 2 12 O 0.68528895121956 0.69929473192548 0.13304262316465 15.999 > 2 13 O 0.18528895121956 0.19929473192548 0.63304262316465 15.999 > 2 14 O 0.68528895121956 0.19929473192548 0.63304262316465 15.999 > 2 15 O 0.18528895121956 0.69929473192548 0.63304262316465 15.999 > 2 16 O 0.68528895121956 0.69929473192548 0.63304262316465 15.999 > 2 17 O 0.31471104878044 0.44929473192548 0.11695737683535 15.999 > 3 18 O 0.81471104878044 0.44929473192548 0.11695737683535 15.999 > 3 19 O 0.31471104878044 0.94929473192548 0.11695737683535 15.999 > 3 20 O 0.81471104878044 0.94929473192548 0.11695737683535 15.999 > 3 21 O 0.31471104878044 0.44929473192548 0.61695737683535 15.999 > 3 22 O 0.81471104878044 0.44929473192548 0.61695737683535 15.999 > 3 23 O 0.31471104878044 0.94929473192548 0.61695737683535 15.999 > 3 24 O 0.81471104878044 0.94929473192548 0.61695737683535 15.999 > 3 25 O 0.31471104878044 0.30070526807452 0.36695737683535 15.999 > 4 26 O 0.81471104878044 0.30070526807452 0.36695737683535 15.999 > 4 27 O 0.31471104878044 0.80070526807452 0.36695737683535 15.999 > 4 28 O 0.81471104878044 0.80070526807452 0.36695737683535 15.999 > 4 29 O 0.31471104878044 0.30070526807452 0.86695737683535 15.999 > 4 30 O 0.81471104878044 0.30070526807452 0.86695737683535 15.999 > 4 31 O 0.31471104878044 0.80070526807452 0.86695737683535 15.999 > 4 32 O 0.81471104878044 0.80070526807452 0.86695737683535 15.999 > 4 33 O 0.00000000000000 0.00000000000000 0.00000000000000 15.999 > 5 34 O 0.50000000000000 0.00000000000000 0.00000000000000 15.999 > 5 35 O 0.00000000000000 0.50000000000000 0.00000000000000 15.999 > 5 36 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 > 5 37 O 0.00000000000000 0.00000000000000 0.50000000000000 15.999 > 5 38 O 0.50000000000000 0.00000000000000 0.50000000000000 15.999 > 5 39 O 0.00000000000000 0.50000000000000 0.50000000000000 15.999 > 5 40 O 0.50000000000000 0.50000000000000 0.50000000000000 15.999 > 5 41 O 0.18528895121956 0.05070526807452 0.38304262316465 15.999 > 6 42 O 0.68528895121956 0.05070526807452 0.38304262316465 15.999 > 6 43 O 0.18528895121956 0.55070526807452 0.38304262316465 15.999 > 6 44 O 0.68528895121956 0.55070526807452 0.38304262316465 15.999 > 6 45 O 0.18528895121956 0.05070526807452 0.88304262316465 15.999 > 6 46 O 0.68528895121956 0.05070526807452 0.88304262316465 15.999 > 6 47 O 0.18528895121956 0.55070526807452 0.88304262316465 15.999 > 6 48 O 0.68528895121956 0.55070526807452 0.88304262316465 15.999 > 6 *49 K 0.07993356409504 0.32659778997598 0.45607524323631 39.098 > 7 50 K 0.57993356409504 0.32659778997598 0.45607524323631 39.098 > 7 51 K 0.07993356409504 0.82659778997598 0.45607524323631 39.098 > 7 52 K 0.57993356409504 0.82659778997598 0.45607524323631 39.098 > 7 53 K 0.07993356409504 0.32659778997598 0.95607524323631 39.098 > 7 54 K 0.57993356409504 0.32659778997598 0.95607524323631 39.098 > 7 55 K 0.07993356409504 0.82659778997598 0.95607524323631 39.098 > 7 56 K 0.57993356409504 0.82659778997598 0.95607524323631 39.098 > 7 57 K 0.07993356409504 0.42340221002402 0.20607524323631 39.098 > 8 58 K 0.57993356409504 0.42340221002402 0.20607524323631 39.098 > 8 59 K 0.07993356409504 0.92340221002402 0.20607524323631 39.098 > 8 60 K 0.57993356409504 0.92340221002402 0.20607524323631 39.098 > 8 61 K 0.07993356409504 0.42340221002402 0.70607524323631 39.098 > 8 62 K 0.57993356409504 0.42340221002402 0.70607524323631 39.098 > 8 63 K 0.07993356409504 0.92340221002402 0.70607524323631 39.098 > 8 64 K 0.57993356409504 0.92340221002402 0.70607524323631 39.098 > 8 65 K 0.42006643590496 0.17340221002402 0.04392475676369 39.098 > 9 66 K 0.92006643590496 0.17340221002402 0.04392475676369 39.098 > 9 67 K 0.42006643590496 0.67340221002402 0.04392475676369 39.098 > 9 68 K 0.92006643590496 0.67340221002402 0.04392475676369 39.098 > 9 69 K 0.42006643590496 0.17340221002402 0.54392475676369 39.098 > 9 70 K 0.92006643590496 0.17340221002402 0.54392475676369 39.098 > 9 71 K 0.42006643590496 0.67340221002402 0.54392475676369 39.098 > 9 72 K 0.92006643590496 0.67340221002402 0.54392475676369 39.098 > 9 73 K 0.42006643590496 0.07659778997598 0.29392475676369 39.098 > 10 74 K 0.92006643590496 0.07659778997598 0.29392475676369 39.098 > 10 75 K 0.42006643590496 0.57659778997598 0.29392475676369 39.098 > 10 76 K 0.92006643590496 0.57659778997598 0.29392475676369 39.098 > 10 77 K 0.42006643590496 0.07659778997598 0.79392475676369 39.098 > 10 78 K 0.92006643590496 0.07659778997598 0.79392475676369 39.098 > 10 79 K 0.42006643590496 0.57659778997598 0.79392475676369 39.098 > 10 80 K 0.92006643590496 0.57659778997598 0.79392475676369 39.098 > 10 *81 Cd 0.33033594551556 0.43749740392577 0.46056338259740 112.411 > 11 82 Cd 0.83033594551556 0.43749740392577 0.46056338259740 112.411 > 11 83 Cd 0.33033594551556 0.93749740392577 0.46056338259740 112.411 > 11 84 Cd 0.83033594551556 0.93749740392577 0.46056338259740 112.411 > 11 85 Cd 0.33033594551556 0.43749740392577 0.96056338259740 112.411 > 11 86 Cd 0.83033594551556 0.43749740392577 0.96056338259740 112.411 > 11 87 Cd 0.33033594551556 0.93749740392577 0.96056338259740 112.411 > 11 88 Cd 0.83033594551556 0.93749740392577 0.96056338259740 112.411 > 11 89 Cd 0.33033594551556 0.31250259607423 0.21056338259740 112.411 > 12 90 Cd 0.83033594551556 0.31250259607423 0.21056338259740 112.411 > 12 91 Cd 0.33033594551556 0.81250259607423 0.21056338259740 112.411 > 12 92 Cd 0.83033594551556 0.81250259607423 0.21056338259740 112.411 > 12 93 Cd 0.33033594551556 0.31250259607423 0.71056338259740 112.411 > 12 94 Cd 0.83033594551556 0.31250259607423 0.71056338259740 112.411 > 12 95 Cd 0.33033594551556 0.81250259607423 0.71056338259740 112.411 > 12 96 Cd 0.83033594551556 0.81250259607423 0.71056338259740 112.411 > 12 97 Cd 0.16966405448444 0.06250259607423 0.03943661740260 112.411 > 13 98 Cd 0.66966405448444 0.06250259607423 0.03943661740260 112.411 > 13 99 Cd 0.16966405448444 0.56250259607423 0.03943661740260 112.411 > 13 100 Cd 0.66966405448444 0.56250259607423 0.03943661740260 112.411 > 13 101 Cd 0.16966405448444 0.06250259607423 0.53943661740260 112.411 > 13 102 Cd 0.66966405448444 0.06250259607423 0.53943661740260 112.411 > 13 103 Cd 0.16966405448444 0.56250259607423 0.53943661740260 112.411 > 13 104 Cd 0.66966405448444 0.56250259607423 0.53943661740260 112.411 > 13 105 Cd 0.16966405448444 0.18749740392577 0.28943661740260 112.411 > 14 106 Cd 0.66966405448444 0.18749740392577 0.28943661740260 112.411 > 14 107 Cd 0.16966405448444 0.68749740392577 0.28943661740260 112.411 > 14 108 Cd 0.66966405448444 0.68749740392577 0.28943661740260 112.411 > 14 109 Cd 0.16966405448444 0.18749740392577 0.78943661740260 112.411 > 14 110 Cd 0.66966405448444 0.18749740392577 0.78943661740260 112.411 > 14 111 Cd 0.16966405448444 0.68749740392577 0.78943661740260 112.411 > 14 112 Cd 0.66966405448444 0.68749740392577 0.78943661740260 112.411 > 14 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.3380118 0.0000000 0.3859522 0.0000000 8.7998969 0.0000000 0.3859518 0.0000000 5.8152804 -------------------------- Born effective charges -------------------------- 1 O -2.9645012 0.6022844 -0.3341311 0.6314463 -1.8951539 0.1589776 -0.3961255 0.3304074 -1.6199072 2 O -2.0249773 -0.3294458 0.1539917 0.0465284 -2.6033839 -0.9032196 0.1582904 -0.4999688 -2.3494302 3 O -2.0249773 0.3294458 0.1539917 -0.0465284 -2.6033839 0.9032196 0.1582904 0.4999688 -2.3494302 4 O -2.0249773 -0.3294458 0.1539917 0.0465284 -2.6033839 -0.9032196 0.1582904 -0.4999688 -2.3494302 5 O -2.9645012 -0.6022844 -0.3341311 -0.6314463 -1.8951539 -0.1589776 -0.3961255 -0.3304074 -1.6199072 6 O -2.0249773 0.3294458 0.1539917 -0.0465284 -2.6033839 0.9032196 0.1582904 0.4999688 -2.3494302 7 K 1.1208241 0.0005799 0.0659478 -0.0023818 1.1392454 -0.0288878 0.0745025 0.0034295 1.1497635 8 K 1.1208241 -0.0005799 0.0659478 0.0023818 1.1392454 0.0288878 0.0745025 -0.0034295 1.1497635 9 K 1.1208241 0.0005799 0.0659478 -0.0023818 1.1392454 -0.0288878 0.0745025 0.0034295 1.1497635 10 K 1.1208241 -0.0005799 0.0659478 0.0023818 1.1392454 0.0288878 0.0745025 -0.0034295 1.1497635 11 Cd 2.3864037 -0.0165413 -0.0528740 -0.0001957 2.4117155 0.0758948 -0.0347302 0.6665911 2.0096203 12 Cd 2.3864037 0.0165413 -0.0528740 0.0001957 2.4117155 -0.0758948 -0.0347302 -0.6665911 2.0096203 13 Cd 2.3864037 -0.0165413 -0.0528740 -0.0001957 2.4117155 0.0758948 -0.0347302 0.6665911 2.0096203 14 Cd 2.3864037 0.0165413 -0.0528740 0.0001957 2.4117155 -0.0758948 -0.0347302 -0.6665911 2.0096203 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 336/336 Permutation basis: 7476/7476 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1866 Number of blocks in projector: 1866 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: 396 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 396 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 396 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 226 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 226 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 226 Use standard eigh solver. Tree of FC basis block matrices: - (1866, 1831), data: False |-- (226, 222), data: True |-- (226, 222), data: True |-- (226, 222), data: True |-- (396, 389), data: True |-- (396, 388), data: True |-- (396, 388), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.007 Solver_block: 100 / 480 - Time: 0.798 Solver_block: 200 / 480 - Time: 0.744 Solver_block: 300 / 480 - Time: 0.740 Solver_block: 400 / 480 - Time: 0.738 Solver_block: 480 / 480 - Time: 0.707 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.779 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 336/336 Permutation basis: 7476/7476 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1866 Number of blocks in projector: 1866 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: 396 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 396 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 396 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 226 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 226 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 226 Use standard eigh solver. Tree of FC basis block matrices: - (1866, 1831), data: False |-- (226, 222), data: True |-- (226, 222), data: True |-- (226, 222), data: True |-- (396, 389), data: True |-- (396, 388), data: True |-- (396, 388), 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 2026-01-07 22:25:16]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:25:16]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 2] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.453666170381258 0.000000000000000 0.000000000000000 b 0.000000000000000 6.633225950000000 0.000000000000000 c -3.219494712361913 0.000000000000000 6.013715495588691 Atomic positions (fractional): 1 O 0.00000000000000 0.50000000000000 0.50000000000000 15.999 2 O 0.37057790243911 0.39858946385096 0.26608524632930 15.999 3 O 0.62942209756089 0.89858946385096 0.23391475367070 15.999 4 O 0.62942209756089 0.60141053614904 0.73391475367070 15.999 5 O 0.00000000000000 0.00000000000000 0.00000000000000 15.999 6 O 0.37057790243911 0.10141053614904 0.76608524632930 15.999 7 K 0.15986712819008 0.65319557995197 0.91215048647261 39.098 8 K 0.15986712819008 0.84680442004803 0.41215048647261 39.098 9 K 0.84013287180992 0.34680442004803 0.08784951352739 39.098 10 K 0.84013287180992 0.15319557995197 0.58784951352739 39.098 11 Cd 0.66067189103112 0.87499480785154 0.92112676519480 112.411 12 Cd 0.66067189103112 0.62500519214846 0.42112676519480 112.411 13 Cd 0.33932810896888 0.12500519214847 0.07887323480520 112.411 14 Cd 0.33932810896888 0.37499480785153 0.57887323480520 112.411 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.907332340762515 0.000000000000000 0.000000000000000 b 0.000000000000000 13.266451900000000 0.000000000000000 c -6.438989424723826 0.000000000000000 12.027430991177383 Atomic positions (fractional): 1 O 0.00000000000000 0.25000000000000 0.25000000000000 15.999 > 1 2 O 0.50000000000000 0.25000000000000 0.25000000000000 15.999 > 1 3 O 0.00000000000000 0.75000000000000 0.25000000000000 15.999 > 1 4 O 0.50000000000000 0.75000000000000 0.25000000000000 15.999 > 1 5 O 0.00000000000000 0.25000000000000 0.75000000000000 15.999 > 1 6 O 0.50000000000000 0.25000000000000 0.75000000000000 15.999 > 1 7 O 0.00000000000000 0.75000000000000 0.75000000000000 15.999 > 1 8 O 0.50000000000000 0.75000000000000 0.75000000000000 15.999 > 1 9 O 0.18528895121956 0.19929473192548 0.13304262316465 15.999 > 9 10 O 0.68528895121956 0.19929473192548 0.13304262316465 15.999 > 9 11 O 0.18528895121956 0.69929473192548 0.13304262316465 15.999 > 9 12 O 0.68528895121956 0.69929473192548 0.13304262316465 15.999 > 9 13 O 0.18528895121956 0.19929473192548 0.63304262316465 15.999 > 9 14 O 0.68528895121956 0.19929473192548 0.63304262316465 15.999 > 9 15 O 0.18528895121956 0.69929473192548 0.63304262316465 15.999 > 9 16 O 0.68528895121956 0.69929473192548 0.63304262316465 15.999 > 9 17 O 0.31471104878044 0.44929473192548 0.11695737683535 15.999 > 17 18 O 0.81471104878044 0.44929473192548 0.11695737683535 15.999 > 17 19 O 0.31471104878044 0.94929473192548 0.11695737683535 15.999 > 17 20 O 0.81471104878044 0.94929473192548 0.11695737683535 15.999 > 17 21 O 0.31471104878044 0.44929473192548 0.61695737683535 15.999 > 17 22 O 0.81471104878044 0.44929473192548 0.61695737683535 15.999 > 17 23 O 0.31471104878044 0.94929473192548 0.61695737683535 15.999 > 17 24 O 0.81471104878044 0.94929473192548 0.61695737683535 15.999 > 17 25 O 0.31471104878044 0.30070526807452 0.36695737683535 15.999 > 25 26 O 0.81471104878044 0.30070526807452 0.36695737683535 15.999 > 25 27 O 0.31471104878044 0.80070526807452 0.36695737683535 15.999 > 25 28 O 0.81471104878044 0.80070526807452 0.36695737683535 15.999 > 25 29 O 0.31471104878044 0.30070526807452 0.86695737683535 15.999 > 25 30 O 0.81471104878044 0.30070526807452 0.86695737683535 15.999 > 25 31 O 0.31471104878044 0.80070526807452 0.86695737683535 15.999 > 25 32 O 0.81471104878044 0.80070526807452 0.86695737683535 15.999 > 25 33 O 0.00000000000000 0.00000000000000 0.00000000000000 15.999 > 33 34 O 0.50000000000000 0.00000000000000 0.00000000000000 15.999 > 33 35 O 0.00000000000000 0.50000000000000 0.00000000000000 15.999 > 33 36 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 > 33 37 O 0.00000000000000 0.00000000000000 0.50000000000000 15.999 > 33 38 O 0.50000000000000 0.00000000000000 0.50000000000000 15.999 > 33 39 O 0.00000000000000 0.50000000000000 0.50000000000000 15.999 > 33 40 O 0.50000000000000 0.50000000000000 0.50000000000000 15.999 > 33 41 O 0.18528895121956 0.05070526807452 0.38304262316465 15.999 > 41 42 O 0.68528895121956 0.05070526807452 0.38304262316465 15.999 > 41 43 O 0.18528895121956 0.55070526807452 0.38304262316465 15.999 > 41 44 O 0.68528895121956 0.55070526807452 0.38304262316465 15.999 > 41 45 O 0.18528895121956 0.05070526807452 0.88304262316465 15.999 > 41 46 O 0.68528895121956 0.05070526807452 0.88304262316465 15.999 > 41 47 O 0.18528895121956 0.55070526807452 0.88304262316465 15.999 > 41 48 O 0.68528895121956 0.55070526807452 0.88304262316465 15.999 > 41 49 K 0.07993356409504 0.32659778997598 0.45607524323631 39.098 > 49 50 K 0.57993356409504 0.32659778997598 0.45607524323631 39.098 > 49 51 K 0.07993356409504 0.82659778997598 0.45607524323631 39.098 > 49 52 K 0.57993356409504 0.82659778997598 0.45607524323631 39.098 > 49 53 K 0.07993356409504 0.32659778997598 0.95607524323631 39.098 > 49 54 K 0.57993356409504 0.32659778997598 0.95607524323631 39.098 > 49 55 K 0.07993356409504 0.82659778997598 0.95607524323631 39.098 > 49 56 K 0.57993356409504 0.82659778997598 0.95607524323631 39.098 > 49 57 K 0.07993356409504 0.42340221002402 0.20607524323631 39.098 > 57 58 K 0.57993356409504 0.42340221002402 0.20607524323631 39.098 > 57 59 K 0.07993356409504 0.92340221002402 0.20607524323631 39.098 > 57 60 K 0.57993356409504 0.92340221002402 0.20607524323631 39.098 > 57 61 K 0.07993356409504 0.42340221002402 0.70607524323631 39.098 > 57 62 K 0.57993356409504 0.42340221002402 0.70607524323631 39.098 > 57 63 K 0.07993356409504 0.92340221002402 0.70607524323631 39.098 > 57 64 K 0.57993356409504 0.92340221002402 0.70607524323631 39.098 > 57 65 K 0.42006643590496 0.17340221002402 0.04392475676369 39.098 > 65 66 K 0.92006643590496 0.17340221002402 0.04392475676369 39.098 > 65 67 K 0.42006643590496 0.67340221002402 0.04392475676369 39.098 > 65 68 K 0.92006643590496 0.67340221002402 0.04392475676369 39.098 > 65 69 K 0.42006643590496 0.17340221002402 0.54392475676369 39.098 > 65 70 K 0.92006643590496 0.17340221002402 0.54392475676369 39.098 > 65 71 K 0.42006643590496 0.67340221002402 0.54392475676369 39.098 > 65 72 K 0.92006643590496 0.67340221002402 0.54392475676369 39.098 > 65 73 K 0.42006643590496 0.07659778997598 0.29392475676369 39.098 > 73 74 K 0.92006643590496 0.07659778997598 0.29392475676369 39.098 > 73 75 K 0.42006643590496 0.57659778997598 0.29392475676369 39.098 > 73 76 K 0.92006643590496 0.57659778997598 0.29392475676369 39.098 > 73 77 K 0.42006643590496 0.07659778997598 0.79392475676369 39.098 > 73 78 K 0.92006643590496 0.07659778997598 0.79392475676369 39.098 > 73 79 K 0.42006643590496 0.57659778997598 0.79392475676369 39.098 > 73 80 K 0.92006643590496 0.57659778997598 0.79392475676369 39.098 > 73 81 Cd 0.33033594551556 0.43749740392577 0.46056338259740 112.411 > 81 82 Cd 0.83033594551556 0.43749740392577 0.46056338259740 112.411 > 81 83 Cd 0.33033594551556 0.93749740392577 0.46056338259740 112.411 > 81 84 Cd 0.83033594551556 0.93749740392577 0.46056338259740 112.411 > 81 85 Cd 0.33033594551556 0.43749740392577 0.96056338259740 112.411 > 81 86 Cd 0.83033594551556 0.43749740392577 0.96056338259740 112.411 > 81 87 Cd 0.33033594551556 0.93749740392577 0.96056338259740 112.411 > 81 88 Cd 0.83033594551556 0.93749740392577 0.96056338259740 112.411 > 81 89 Cd 0.33033594551556 0.31250259607423 0.21056338259740 112.411 > 89 90 Cd 0.83033594551556 0.31250259607423 0.21056338259740 112.411 > 89 91 Cd 0.33033594551556 0.81250259607423 0.21056338259740 112.411 > 89 92 Cd 0.83033594551556 0.81250259607423 0.21056338259740 112.411 > 89 93 Cd 0.33033594551556 0.31250259607423 0.71056338259740 112.411 > 89 94 Cd 0.83033594551556 0.31250259607423 0.71056338259740 112.411 > 89 95 Cd 0.33033594551556 0.81250259607423 0.71056338259740 112.411 > 89 96 Cd 0.83033594551556 0.81250259607423 0.71056338259740 112.411 > 89 97 Cd 0.16966405448444 0.06250259607423 0.03943661740260 112.411 > 97 98 Cd 0.66966405448444 0.06250259607423 0.03943661740260 112.411 > 97 99 Cd 0.16966405448444 0.56250259607423 0.03943661740260 112.411 > 97 100 Cd 0.66966405448444 0.56250259607423 0.03943661740260 112.411 > 97 101 Cd 0.16966405448444 0.06250259607423 0.53943661740260 112.411 > 97 102 Cd 0.66966405448444 0.06250259607423 0.53943661740260 112.411 > 97 103 Cd 0.16966405448444 0.56250259607423 0.53943661740260 112.411 > 97 104 Cd 0.66966405448444 0.56250259607423 0.53943661740260 112.411 > 97 105 Cd 0.16966405448444 0.18749740392577 0.28943661740260 112.411 > 105 106 Cd 0.66966405448444 0.18749740392577 0.28943661740260 112.411 > 105 107 Cd 0.16966405448444 0.68749740392577 0.28943661740260 112.411 > 105 108 Cd 0.66966405448444 0.68749740392577 0.28943661740260 112.411 > 105 109 Cd 0.16966405448444 0.18749740392577 0.78943661740260 112.411 > 105 110 Cd 0.66966405448444 0.18749740392577 0.78943661740260 112.411 > 105 111 Cd 0.16966405448444 0.68749740392577 0.78943661740260 112.411 > 105 112 Cd 0.66966405448444 0.68749740392577 0.78943661740260 112.411 > 105 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.3380118 0.0000000 0.3859522 0.0000000 8.7998969 0.0000000 0.3859518 0.0000000 5.8152804 -------------------------- Born effective charges -------------------------- 1 O -2.9645012 0.6022844 -0.3341311 0.6314463 -1.8951539 0.1589776 -0.3961255 0.3304074 -1.6199072 2 O -2.0249773 -0.3294458 0.1539917 0.0465284 -2.6033839 -0.9032196 0.1582904 -0.4999688 -2.3494302 3 O -2.0249773 0.3294458 0.1539917 -0.0465284 -2.6033839 0.9032196 0.1582904 0.4999688 -2.3494302 4 O -2.0249773 -0.3294458 0.1539917 0.0465284 -2.6033839 -0.9032196 0.1582904 -0.4999688 -2.3494302 5 O -2.9645012 -0.6022844 -0.3341311 -0.6314463 -1.8951539 -0.1589776 -0.3961255 -0.3304074 -1.6199072 6 O -2.0249773 0.3294458 0.1539917 -0.0465284 -2.6033839 0.9032196 0.1582904 0.4999688 -2.3494302 7 K 1.1208241 0.0005799 0.0659478 -0.0023818 1.1392454 -0.0288878 0.0745025 0.0034295 1.1497635 8 K 1.1208241 -0.0005799 0.0659478 0.0023818 1.1392454 0.0288878 0.0745025 -0.0034295 1.1497635 9 K 1.1208241 0.0005799 0.0659478 -0.0023818 1.1392454 -0.0288878 0.0745025 0.0034295 1.1497635 10 K 1.1208241 -0.0005799 0.0659478 0.0023818 1.1392454 0.0288878 0.0745025 -0.0034295 1.1497635 11 Cd 2.3864037 -0.0165413 -0.0528740 -0.0001957 2.4117155 0.0758948 -0.0347302 0.6665911 2.0096203 12 Cd 2.3864037 0.0165413 -0.0528740 0.0001957 2.4117155 -0.0758948 -0.0347302 -0.6665911 2.0096203 13 Cd 2.3864037 -0.0165413 -0.0528740 -0.0001957 2.4117155 0.0758948 -0.0347302 0.6665911 2.0096203 14 Cd 2.3864037 0.0165413 -0.0528740 0.0001957 2.4117155 -0.0758948 -0.0347302 -0.6665911 2.0096203 ---------------------------------------------------------------------------- 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] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] Computing fc3[ 9, 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] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] 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] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] Computing fc3[ 81, 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] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000006 (xxx) 0.00000006 (xxx) 0.00000006 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000002 (zy) 0.00000002 (zy) 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 2026-01-07 22:25:37]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:25:38]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 2] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.453666170381258 0.000000000000000 0.000000000000000 b 0.000000000000000 6.633225950000000 0.000000000000000 c -3.219494712361913 0.000000000000000 6.013715495588691 Atomic positions (fractional): 1 O 0.00000000000000 0.50000000000000 0.50000000000000 15.999 2 O 0.37057790243911 0.39858946385096 0.26608524632930 15.999 3 O 0.62942209756089 0.89858946385096 0.23391475367070 15.999 4 O 0.62942209756089 0.60141053614904 0.73391475367070 15.999 5 O 0.00000000000000 0.00000000000000 0.00000000000000 15.999 6 O 0.37057790243911 0.10141053614904 0.76608524632930 15.999 7 K 0.15986712819008 0.65319557995197 0.91215048647261 39.098 8 K 0.15986712819008 0.84680442004803 0.41215048647261 39.098 9 K 0.84013287180992 0.34680442004803 0.08784951352739 39.098 10 K 0.84013287180992 0.15319557995197 0.58784951352739 39.098 11 Cd 0.66067189103112 0.87499480785154 0.92112676519480 112.411 12 Cd 0.66067189103112 0.62500519214846 0.42112676519480 112.411 13 Cd 0.33932810896888 0.12500519214847 0.07887323480520 112.411 14 Cd 0.33932810896888 0.37499480785153 0.57887323480520 112.411 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.907332340762515 0.000000000000000 0.000000000000000 b 0.000000000000000 13.266451900000000 0.000000000000000 c -6.438989424723826 0.000000000000000 12.027430991177383 Atomic positions (fractional): 1 O 0.00000000000000 0.25000000000000 0.25000000000000 15.999 > 1 2 O 0.50000000000000 0.25000000000000 0.25000000000000 15.999 > 1 3 O 0.00000000000000 0.75000000000000 0.25000000000000 15.999 > 1 4 O 0.50000000000000 0.75000000000000 0.25000000000000 15.999 > 1 5 O 0.00000000000000 0.25000000000000 0.75000000000000 15.999 > 1 6 O 0.50000000000000 0.25000000000000 0.75000000000000 15.999 > 1 7 O 0.00000000000000 0.75000000000000 0.75000000000000 15.999 > 1 8 O 0.50000000000000 0.75000000000000 0.75000000000000 15.999 > 1 9 O 0.18528895121956 0.19929473192548 0.13304262316465 15.999 > 9 10 O 0.68528895121956 0.19929473192548 0.13304262316465 15.999 > 9 11 O 0.18528895121956 0.69929473192548 0.13304262316465 15.999 > 9 12 O 0.68528895121956 0.69929473192548 0.13304262316465 15.999 > 9 13 O 0.18528895121956 0.19929473192548 0.63304262316465 15.999 > 9 14 O 0.68528895121956 0.19929473192548 0.63304262316465 15.999 > 9 15 O 0.18528895121956 0.69929473192548 0.63304262316465 15.999 > 9 16 O 0.68528895121956 0.69929473192548 0.63304262316465 15.999 > 9 17 O 0.31471104878044 0.44929473192548 0.11695737683535 15.999 > 17 18 O 0.81471104878044 0.44929473192548 0.11695737683535 15.999 > 17 19 O 0.31471104878044 0.94929473192548 0.11695737683535 15.999 > 17 20 O 0.81471104878044 0.94929473192548 0.11695737683535 15.999 > 17 21 O 0.31471104878044 0.44929473192548 0.61695737683535 15.999 > 17 22 O 0.81471104878044 0.44929473192548 0.61695737683535 15.999 > 17 23 O 0.31471104878044 0.94929473192548 0.61695737683535 15.999 > 17 24 O 0.81471104878044 0.94929473192548 0.61695737683535 15.999 > 17 25 O 0.31471104878044 0.30070526807452 0.36695737683535 15.999 > 25 26 O 0.81471104878044 0.30070526807452 0.36695737683535 15.999 > 25 27 O 0.31471104878044 0.80070526807452 0.36695737683535 15.999 > 25 28 O 0.81471104878044 0.80070526807452 0.36695737683535 15.999 > 25 29 O 0.31471104878044 0.30070526807452 0.86695737683535 15.999 > 25 30 O 0.81471104878044 0.30070526807452 0.86695737683535 15.999 > 25 31 O 0.31471104878044 0.80070526807452 0.86695737683535 15.999 > 25 32 O 0.81471104878044 0.80070526807452 0.86695737683535 15.999 > 25 33 O 0.00000000000000 0.00000000000000 0.00000000000000 15.999 > 33 34 O 0.50000000000000 0.00000000000000 0.00000000000000 15.999 > 33 35 O 0.00000000000000 0.50000000000000 0.00000000000000 15.999 > 33 36 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 > 33 37 O 0.00000000000000 0.00000000000000 0.50000000000000 15.999 > 33 38 O 0.50000000000000 0.00000000000000 0.50000000000000 15.999 > 33 39 O 0.00000000000000 0.50000000000000 0.50000000000000 15.999 > 33 40 O 0.50000000000000 0.50000000000000 0.50000000000000 15.999 > 33 41 O 0.18528895121956 0.05070526807452 0.38304262316465 15.999 > 41 42 O 0.68528895121956 0.05070526807452 0.38304262316465 15.999 > 41 43 O 0.18528895121956 0.55070526807452 0.38304262316465 15.999 > 41 44 O 0.68528895121956 0.55070526807452 0.38304262316465 15.999 > 41 45 O 0.18528895121956 0.05070526807452 0.88304262316465 15.999 > 41 46 O 0.68528895121956 0.05070526807452 0.88304262316465 15.999 > 41 47 O 0.18528895121956 0.55070526807452 0.88304262316465 15.999 > 41 48 O 0.68528895121956 0.55070526807452 0.88304262316465 15.999 > 41 49 K 0.07993356409504 0.32659778997598 0.45607524323631 39.098 > 49 50 K 0.57993356409504 0.32659778997598 0.45607524323631 39.098 > 49 51 K 0.07993356409504 0.82659778997598 0.45607524323631 39.098 > 49 52 K 0.57993356409504 0.82659778997598 0.45607524323631 39.098 > 49 53 K 0.07993356409504 0.32659778997598 0.95607524323631 39.098 > 49 54 K 0.57993356409504 0.32659778997598 0.95607524323631 39.098 > 49 55 K 0.07993356409504 0.82659778997598 0.95607524323631 39.098 > 49 56 K 0.57993356409504 0.82659778997598 0.95607524323631 39.098 > 49 57 K 0.07993356409504 0.42340221002402 0.20607524323631 39.098 > 57 58 K 0.57993356409504 0.42340221002402 0.20607524323631 39.098 > 57 59 K 0.07993356409504 0.92340221002402 0.20607524323631 39.098 > 57 60 K 0.57993356409504 0.92340221002402 0.20607524323631 39.098 > 57 61 K 0.07993356409504 0.42340221002402 0.70607524323631 39.098 > 57 62 K 0.57993356409504 0.42340221002402 0.70607524323631 39.098 > 57 63 K 0.07993356409504 0.92340221002402 0.70607524323631 39.098 > 57 64 K 0.57993356409504 0.92340221002402 0.70607524323631 39.098 > 57 65 K 0.42006643590496 0.17340221002402 0.04392475676369 39.098 > 65 66 K 0.92006643590496 0.17340221002402 0.04392475676369 39.098 > 65 67 K 0.42006643590496 0.67340221002402 0.04392475676369 39.098 > 65 68 K 0.92006643590496 0.67340221002402 0.04392475676369 39.098 > 65 69 K 0.42006643590496 0.17340221002402 0.54392475676369 39.098 > 65 70 K 0.92006643590496 0.17340221002402 0.54392475676369 39.098 > 65 71 K 0.42006643590496 0.67340221002402 0.54392475676369 39.098 > 65 72 K 0.92006643590496 0.67340221002402 0.54392475676369 39.098 > 65 73 K 0.42006643590496 0.07659778997598 0.29392475676369 39.098 > 73 74 K 0.92006643590496 0.07659778997598 0.29392475676369 39.098 > 73 75 K 0.42006643590496 0.57659778997598 0.29392475676369 39.098 > 73 76 K 0.92006643590496 0.57659778997598 0.29392475676369 39.098 > 73 77 K 0.42006643590496 0.07659778997598 0.79392475676369 39.098 > 73 78 K 0.92006643590496 0.07659778997598 0.79392475676369 39.098 > 73 79 K 0.42006643590496 0.57659778997598 0.79392475676369 39.098 > 73 80 K 0.92006643590496 0.57659778997598 0.79392475676369 39.098 > 73 81 Cd 0.33033594551556 0.43749740392577 0.46056338259740 112.411 > 81 82 Cd 0.83033594551556 0.43749740392577 0.46056338259740 112.411 > 81 83 Cd 0.33033594551556 0.93749740392577 0.46056338259740 112.411 > 81 84 Cd 0.83033594551556 0.93749740392577 0.46056338259740 112.411 > 81 85 Cd 0.33033594551556 0.43749740392577 0.96056338259740 112.411 > 81 86 Cd 0.83033594551556 0.43749740392577 0.96056338259740 112.411 > 81 87 Cd 0.33033594551556 0.93749740392577 0.96056338259740 112.411 > 81 88 Cd 0.83033594551556 0.93749740392577 0.96056338259740 112.411 > 81 89 Cd 0.33033594551556 0.31250259607423 0.21056338259740 112.411 > 89 90 Cd 0.83033594551556 0.31250259607423 0.21056338259740 112.411 > 89 91 Cd 0.33033594551556 0.81250259607423 0.21056338259740 112.411 > 89 92 Cd 0.83033594551556 0.81250259607423 0.21056338259740 112.411 > 89 93 Cd 0.33033594551556 0.31250259607423 0.71056338259740 112.411 > 89 94 Cd 0.83033594551556 0.31250259607423 0.71056338259740 112.411 > 89 95 Cd 0.33033594551556 0.81250259607423 0.71056338259740 112.411 > 89 96 Cd 0.83033594551556 0.81250259607423 0.71056338259740 112.411 > 89 97 Cd 0.16966405448444 0.06250259607423 0.03943661740260 112.411 > 97 98 Cd 0.66966405448444 0.06250259607423 0.03943661740260 112.411 > 97 99 Cd 0.16966405448444 0.56250259607423 0.03943661740260 112.411 > 97 100 Cd 0.66966405448444 0.56250259607423 0.03943661740260 112.411 > 97 101 Cd 0.16966405448444 0.06250259607423 0.53943661740260 112.411 > 97 102 Cd 0.66966405448444 0.06250259607423 0.53943661740260 112.411 > 97 103 Cd 0.16966405448444 0.56250259607423 0.53943661740260 112.411 > 97 104 Cd 0.66966405448444 0.56250259607423 0.53943661740260 112.411 > 97 105 Cd 0.16966405448444 0.18749740392577 0.28943661740260 112.411 > 105 106 Cd 0.66966405448444 0.18749740392577 0.28943661740260 112.411 > 105 107 Cd 0.16966405448444 0.68749740392577 0.28943661740260 112.411 > 105 108 Cd 0.66966405448444 0.68749740392577 0.28943661740260 112.411 > 105 109 Cd 0.16966405448444 0.18749740392577 0.78943661740260 112.411 > 105 110 Cd 0.66966405448444 0.18749740392577 0.78943661740260 112.411 > 105 111 Cd 0.16966405448444 0.68749740392577 0.78943661740260 112.411 > 105 112 Cd 0.66966405448444 0.68749740392577 0.78943661740260 112.411 > 105 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 7.3380118 0.0000000 0.3859522 0.0000000 8.7998969 0.0000000 0.3859518 0.0000000 5.8152804 -------------------------- Born effective charges -------------------------- 1 O -2.9645012 0.6022844 -0.3341311 0.6314463 -1.8951539 0.1589776 -0.3961255 0.3304074 -1.6199072 2 O -2.0249773 -0.3294458 0.1539917 0.0465284 -2.6033839 -0.9032196 0.1582904 -0.4999688 -2.3494302 3 O -2.0249773 0.3294458 0.1539917 -0.0465284 -2.6033839 0.9032196 0.1582904 0.4999688 -2.3494302 4 O -2.0249773 -0.3294458 0.1539917 0.0465284 -2.6033839 -0.9032196 0.1582904 -0.4999688 -2.3494302 5 O -2.9645012 -0.6022844 -0.3341311 -0.6314463 -1.8951539 -0.1589776 -0.3961255 -0.3304074 -1.6199072 6 O -2.0249773 0.3294458 0.1539917 -0.0465284 -2.6033839 0.9032196 0.1582904 0.4999688 -2.3494302 7 K 1.1208241 0.0005799 0.0659478 -0.0023818 1.1392454 -0.0288878 0.0745025 0.0034295 1.1497635 8 K 1.1208241 -0.0005799 0.0659478 0.0023818 1.1392454 0.0288878 0.0745025 -0.0034295 1.1497635 9 K 1.1208241 0.0005799 0.0659478 -0.0023818 1.1392454 -0.0288878 0.0745025 0.0034295 1.1497635 10 K 1.1208241 -0.0005799 0.0659478 0.0023818 1.1392454 0.0288878 0.0745025 -0.0034295 1.1497635 11 Cd 2.3864037 -0.0165413 -0.0528740 -0.0001957 2.4117155 0.0758948 -0.0347302 0.6665911 2.0096203 12 Cd 2.3864037 0.0165413 -0.0528740 0.0001957 2.4117155 -0.0758948 -0.0347302 -0.6665911 2.0096203 13 Cd 2.3864037 -0.0165413 -0.0528740 -0.0001957 2.4117155 0.0758948 -0.0347302 0.6665911 2.0096203 14 Cd 2.3864037 0.0165413 -0.0528740 0.0001957 2.4117155 -0.0758948 -0.0347302 -0.6665911 2.0096203 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000006 (xxx) 0.00000006 (xxx) 0.00000006 (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 8 8 ] 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: 0.65, Number of G-points: 299, Lambda: 0.18 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/185) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 185 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 0.936 ( 0.000 0.000 0.000) 0.000 1.671 ( 0.000 0.000 0.000) 0.000 1.768 ( 0.000 0.000 0.000) 0.000 1.826 ( 0.000 0.000 0.000) 0.000 1.878 ( 0.000 0.000 0.000) 0.000 2.698 ( 0.000 0.000 0.000) 0.000 2.973 ( 0.000 0.000 0.000) 0.000 3.108 ( 0.000 0.000 0.000) 0.000 3.191 ( 0.000 0.000 0.000) 0.000 3.256 ( 0.000 0.000 0.000) 0.000 3.416 ( 0.000 0.000 0.000) 0.000 3.692 ( 0.000 0.000 0.000) 0.000 3.791 ( 0.000 0.000 0.000) 0.000 3.860 ( 0.000 0.000 0.000) 0.000 4.303 ( 0.000 0.000 0.000) 0.000 4.443 ( 0.000 0.000 0.000) 0.000 4.573 ( 0.000 0.000 0.000) 0.000 4.885 ( 0.000 0.000 0.000) 0.000 5.321 ( 0.000 0.000 0.000) 0.000 5.334 ( 0.000 0.000 0.000) 0.000 5.597 ( 0.000 0.000 0.000) 0.000 5.875 ( 0.000 0.000 0.000) 0.000 6.398 ( 0.000 0.000 0.000) 0.000 6.416 ( 0.000 0.000 0.000) 0.000 6.492 ( 0.000 0.000 0.000) 0.000 6.803 ( 0.000 0.000 0.000) 0.000 7.003 ( 0.000 0.000 0.000) 0.000 7.383 ( 0.000 0.000 0.000) 0.000 7.575 ( 0.000 0.000 0.000) 0.000 9.188 ( 0.000 0.000 0.000) 0.000 9.618 ( 0.000 0.000 0.000) 0.000 10.344 ( 0.000 0.000 0.000) 0.000 10.745 ( 0.000 0.000 0.000) 0.000 11.861 ( 0.000 0.000 0.000) 0.000 13.169 ( 0.000 0.000 0.000) 0.000 14.118 ( 0.000 0.000 0.000) 0.000 15.119 ( 0.000 0.000 0.000) 0.000 16.144 ( 0.000 0.000 0.000) 0.000 16.237 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/185) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.400 ( 18.235 0.000 8.185) 19.988 0.415 ( 13.456 0.000 19.613) 23.785 0.856 ( 39.154 0.000 17.651) 42.948 1.636 ( -4.884 0.000 1.252) 5.042 1.743 ( 4.202 0.000 5.630) 7.025 1.919 ( 9.176 0.000 1.041) 9.235 2.006 ( 9.238 0.000 -17.926) 20.166 2.128 ( 11.363 0.000 10.795) 15.673 2.602 ( -10.876 0.000 3.374) 11.387 2.932 ( -4.459 0.000 1.565) 4.726 3.046 ( -4.424 0.000 -2.097) 4.896 3.076 ( -5.178 0.000 -8.297) 9.780 3.313 ( 4.597 0.000 -3.243) 5.625 3.493 ( 3.104 0.000 3.455) 4.645 3.699 ( 2.599 0.000 -1.147) 2.841 3.797 ( 0.696 0.000 0.564) 0.896 3.952 ( -0.131 0.000 2.952) 2.955 4.332 ( 1.528 0.000 3.652) 3.959 4.440 ( -1.483 0.000 2.222) 2.672 4.625 ( -1.340 0.000 -1.925) 2.345 4.857 ( -1.544 0.000 -3.160) 3.517 5.237 ( -6.638 0.000 -5.363) 8.533 5.270 ( -3.361 0.000 -7.024) 7.787 5.524 ( -3.180 0.000 -3.671) 4.857 6.011 ( 8.331 0.000 7.173) 10.994 6.311 ( -5.803 0.000 -4.876) 7.580 6.469 ( 1.162 0.000 0.190) 1.178 6.794 ( -2.159 0.000 1.796) 2.808 6.990 ( -2.341 0.000 1.874) 2.998 7.351 ( -1.029 0.000 -4.566) 4.680 7.360 ( -22.009 0.000 41.113) 46.633 7.684 ( -2.427 0.000 14.624) 14.824 9.242 ( 4.342 0.000 2.785) 5.158 10.105 ( 35.973 0.000 -62.833) 72.402 10.361 ( 0.769 0.000 2.193) 2.324 10.763 ( 4.011 0.000 -3.898) 5.593 11.912 ( 3.789 0.000 4.108) 5.589 13.790 ( -18.660 0.000 39.580) 43.758 14.117 ( 0.860 0.000 -1.791) 1.987 14.973 ( -13.918 0.000 -3.395) 14.326 16.217 ( 7.131 0.000 0.346) 7.139 16.772 ( 8.786 0.000 -10.831) 13.947 ======================= Grid point 2 (3/185) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.767 ( 15.917 0.000 7.005) 17.391 0.820 ( 13.116 0.000 18.185) 22.422 1.618 ( 24.980 0.000 13.966) 28.619 1.677 ( 2.391 0.000 11.407) 11.654 1.846 ( 8.028 0.000 0.296) 8.034 2.084 ( 14.805 0.000 -4.921) 15.601 2.090 ( 6.423 0.000 1.876) 6.691 2.332 ( 1.578 0.000 3.966) 4.268 2.450 ( -9.656 0.000 3.695) 10.339 2.904 ( -0.518 0.000 0.471) 0.700 2.931 ( -9.351 0.000 3.007) 9.823 2.967 ( 2.797 0.000 -1.134) 3.018 3.317 ( 4.280 0.000 -10.515) 11.353 3.509 ( -1.846 0.000 -3.126) 3.631 3.759 ( 3.004 0.000 0.648) 3.073 3.838 ( 1.644 0.000 3.745) 4.090 3.961 ( -4.534 0.000 8.668) 9.783 4.404 ( 2.927 0.000 0.447) 2.960 4.437 ( -2.442 0.000 4.810) 5.395 4.573 ( -3.051 0.000 -0.690) 3.129 4.777 ( -2.331 0.000 -6.799) 7.188 5.018 ( -9.224 0.000 -9.657) 13.354 5.124 ( -3.027 0.000 -10.430) 10.861 5.450 ( -2.805 0.000 -1.859) 3.365 6.156 ( -6.744 0.000 -4.250) 7.971 6.228 ( 8.404 0.000 6.884) 10.863 6.481 ( 0.287 0.000 0.033) 0.289 6.757 ( -4.961 0.000 3.766) 6.228 6.966 ( -2.359 0.000 1.757) 2.941 7.275 ( -1.218 0.000 -7.127) 7.230 7.336 ( -9.891 0.000 13.796) 16.976 7.815 ( 2.348 0.000 12.099) 12.325 9.365 ( 5.810 0.000 3.516) 6.791 10.159 ( 18.808 0.000 -28.143) 33.849 10.407 ( 1.067 0.000 4.020) 4.159 10.802 ( 5.794 0.000 -6.697) 8.856 12.071 ( 8.589 0.000 7.459) 11.376 13.848 ( -8.063 0.000 22.653) 24.045 14.114 ( 1.701 0.000 -3.835) 4.195 14.624 ( -20.456 0.000 -5.896) 21.288 16.355 ( 7.794 0.000 0.193) 7.796 16.840 ( 6.788 0.000 -4.008) 7.883 ======================= Grid point 3 (4/185) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( 12.956 0.000 6.190) 14.359 1.185 ( 10.383 0.000 15.252) 18.451 1.708 ( 0.785 0.000 -5.737) 5.791 1.853 ( 0.810 0.000 11.753) 11.780 2.118 ( -2.149 0.000 -1.945) 2.899 2.166 ( 3.512 0.000 7.560) 8.336 2.306 ( -2.713 0.000 3.652) 4.549 2.352 ( 1.674 0.000 -1.808) 2.464 2.497 ( 27.001 0.000 6.396) 27.748 2.801 ( -8.108 0.000 5.925) 10.043 2.945 ( 6.546 0.000 -3.923) 7.631 3.123 ( 6.467 0.000 7.472) 9.882 3.309 ( 4.880 0.000 -6.475) 8.108 3.409 ( -2.295 0.000 -6.510) 6.903 3.760 ( -1.952 0.000 -2.651) 3.292 3.893 ( -0.373 0.000 4.457) 4.473 3.981 ( -5.326 0.000 12.730) 13.800 4.369 ( -4.490 0.000 -6.955) 8.278 4.457 ( -1.179 0.000 6.834) 6.935 4.477 ( -6.917 0.000 -3.682) 7.836 4.654 ( -2.811 0.000 -9.637) 10.038 4.853 ( 0.347 0.000 -3.677) 3.693 5.001 ( -0.815 0.000 -8.677) 8.715 5.387 ( -2.812 0.000 -1.064) 3.006 6.014 ( -5.388 0.000 -3.344) 6.341 6.395 ( 3.550 0.000 4.788) 5.960 6.483 ( 0.019 0.000 -0.177) 0.178 6.720 ( -2.395 0.000 4.346) 4.962 6.939 ( -2.223 0.000 0.507) 2.280 7.192 ( -0.840 0.000 -6.378) 6.433 7.290 ( -5.496 0.000 5.579) 7.831 7.957 ( 2.858 0.000 7.848) 8.353 9.485 ( 4.537 0.000 2.423) 5.143 10.223 ( 10.828 0.000 -13.841) 17.574 10.464 ( 0.757 0.000 4.341) 4.407 10.832 ( 4.758 0.000 -6.646) 8.174 12.336 ( 12.784 0.000 8.679) 15.452 13.921 ( -4.603 0.000 16.126) 16.770 14.104 ( 2.280 0.000 -5.706) 6.144 14.195 ( -21.154 0.000 -7.143) 22.328 16.472 ( 5.380 0.000 0.030) 5.380 16.919 ( 4.958 0.000 -1.524) 5.186 ======================= Grid point 4 (5/185) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.315 ( 7.817 0.000 4.030) 8.794 1.398 ( 2.015 0.000 5.579) 5.931 1.745 ( 6.798 0.000 -0.966) 6.866 1.814 ( -6.311 0.000 -1.030) 6.395 2.052 ( -2.513 0.000 -0.705) 2.610 2.096 ( -8.226 0.000 0.402) 8.235 2.437 ( 5.515 0.000 10.448) 11.814 2.474 ( 11.589 0.000 -4.911) 12.587 2.613 ( -10.287 0.000 6.192) 12.007 2.922 ( -1.527 0.000 -9.574) 9.695 3.052 ( 15.240 0.000 3.162) 15.564 3.267 ( 1.402 0.000 9.891) 9.989 3.371 ( 3.080 0.000 -6.847) 7.508 3.411 ( 10.692 0.000 3.746) 11.329 3.673 ( -5.186 0.000 -2.783) 5.885 3.895 ( -12.844 0.000 0.272) 12.847 3.911 ( -0.988 0.000 2.756) 2.928 4.223 ( -4.240 0.000 3.243) 5.338 4.358 ( 0.213 0.000 -8.488) 8.491 4.496 ( -0.781 0.000 1.049) 1.308 4.549 ( -0.424 0.000 -2.288) 2.327 4.887 ( 1.897 0.000 0.854) 2.080 4.933 ( -0.175 0.000 -4.141) 4.144 5.343 ( -1.312 0.000 -0.318) 1.350 5.922 ( -2.239 0.000 -1.408) 2.645 6.435 ( -0.850 0.000 1.550) 1.768 6.481 ( -0.031 0.000 -0.101) 0.106 6.768 ( 2.500 0.000 2.928) 3.851 6.894 ( -2.447 0.000 -0.817) 2.580 7.138 ( -0.303 0.000 -2.580) 2.598 7.258 ( -1.819 0.000 1.550) 2.389 8.043 ( 1.162 0.000 2.707) 2.946 9.555 ( 1.691 0.000 0.801) 1.871 10.267 ( 3.630 0.000 -4.219) 5.565 10.504 ( 0.230 0.000 1.983) 1.996 10.844 ( 1.811 0.000 -2.859) 3.384 12.612 ( 8.767 0.000 5.020) 10.102 13.831 ( -11.678 0.000 -4.409) 12.483 13.976 ( -2.077 0.000 7.635) 7.913 14.089 ( 1.521 0.000 -4.199) 4.466 16.535 ( 1.888 0.000 -0.008) 1.888 16.971 ( 1.851 0.000 -0.376) 1.889 ======================= Grid point 9 (6/185) ======================= q-point: ( 0.00 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.364 ( 0.000 19.377 0.000) 19.377 0.420 ( 0.000 21.072 0.000) 21.072 0.627 ( 0.000 34.541 0.000) 34.541 1.063 ( 0.000 12.606 0.000) 12.606 1.554 ( 0.000 -9.020 0.000) 9.020 1.807 ( 0.000 -1.808 0.000) 1.808 1.850 ( 0.000 5.094 0.000) 5.094 2.063 ( 0.000 -0.663 0.000) 0.663 2.636 ( 0.000 -10.758 0.000) 10.758 2.959 ( 0.000 5.878 0.000) 5.878 2.982 ( 0.000 -9.919 0.000) 9.919 3.237 ( 0.000 1.839 0.000) 1.839 3.309 ( 0.000 -6.313 0.000) 6.313 3.433 ( 0.000 10.668 0.000) 10.668 3.760 ( 0.000 -2.310 0.000) 2.310 3.765 ( 0.000 5.790 0.000) 5.790 3.898 ( 0.000 2.044 0.000) 2.044 4.231 ( 0.000 -6.724 0.000) 6.724 4.296 ( 0.000 -7.789 0.000) 7.789 4.695 ( 0.000 4.742 0.000) 4.742 4.844 ( 0.000 -3.334 0.000) 3.334 5.299 ( 0.000 -2.178 0.000) 2.178 5.453 ( 0.000 0.531 0.000) 0.531 5.566 ( 0.000 -2.631 0.000) 2.631 5.963 ( 0.000 7.233 0.000) 7.233 6.416 ( 0.000 1.635 0.000) 1.635 6.423 ( 0.000 0.670 0.000) 0.670 6.495 ( 0.000 0.260 0.000) 0.260 6.882 ( 0.000 0.341 0.000) 0.341 7.262 ( 0.000 -8.552 0.000) 8.552 7.699 ( 0.000 8.863 0.000) 8.863 7.704 ( 0.000 3.582 0.000) 3.582 9.199 ( 0.000 1.218 0.000) 1.218 9.604 ( 0.000 -1.551 0.000) 1.551 10.355 ( 0.000 1.153 0.000) 1.153 10.769 ( 0.000 -1.923 0.000) 1.923 13.211 ( 0.000 4.213 0.000) 4.213 13.469 ( 0.000 6.869 0.000) 6.869 14.130 ( 0.000 1.790 0.000) 1.790 15.108 ( 0.000 -1.235 0.000) 1.235 16.182 ( 0.000 1.140 0.000) 1.140 16.240 ( 0.000 0.318 0.000) 0.318 ======================= Grid point 10 (7/185) ======================= q-point: ( 0.11 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.379 ( 15.716 10.631 0.800) 18.990 0.556 ( 10.696 11.731 14.534) 21.523 1.119 ( 28.453 20.946 14.737) 38.282 1.465 ( 12.673 -11.370 -1.673) 17.108 1.599 ( 6.239 -8.799 7.784) 13.302 1.789 ( 4.263 1.171 4.963) 6.647 2.079 ( 15.262 0.117 1.371) 15.324 2.196 ( 7.741 2.044 7.222) 10.782 2.580 ( -6.301 -5.106 1.270) 8.209 2.715 ( -10.835 -7.949 -4.490) 14.168 3.053 ( -6.007 -0.975 -4.878) 7.799 3.180 ( 5.136 -1.136 -0.224) 5.264 3.358 ( -4.400 9.969 0.480) 10.907 3.480 ( 4.581 -0.773 5.768) 7.406 3.707 ( 1.261 0.107 -7.607) 7.711 3.789 ( 0.087 -0.908 0.983) 1.342 3.953 ( 0.971 0.565 4.679) 4.812 4.254 ( 1.546 -7.095 2.430) 7.658 4.333 ( 1.358 -5.425 4.317) 7.065 4.705 ( 1.334 4.102 -3.315) 5.441 4.813 ( -2.353 -3.888 -2.326) 5.106 5.207 ( -5.996 -1.782 -7.125) 9.481 5.353 ( -5.467 3.738 -7.361) 9.902 5.514 ( -3.608 -1.065 -1.157) 3.936 6.062 ( 6.794 4.743 4.838) 9.595 6.307 ( -5.766 0.478 -2.157) 6.174 6.479 ( 0.891 0.905 0.266) 1.298 6.659 ( 6.028 -8.769 8.452) 13.589 6.867 ( -3.969 -1.029 4.767) 6.288 7.242 ( -0.234 -7.786 -3.747) 8.644 7.584 ( -12.174 11.227 10.110) 19.403 7.769 ( 0.728 5.667 6.629) 8.751 9.253 ( 4.640 1.285 2.454) 5.404 9.810 ( 25.059 -11.986 -17.177) 32.660 10.369 ( 0.999 0.890 1.228) 1.816 10.788 ( 4.179 -1.014 -4.102) 5.943 12.522 ( -18.403 33.450 -23.780) 44.979 13.762 ( -5.663 -1.726 26.883) 27.528 14.112 ( -2.844 0.931 2.539) 3.924 14.970 ( -13.545 -0.612 -2.346) 13.760 16.237 ( 6.704 1.779 0.123) 6.937 16.538 ( 18.277 -12.502 -0.834) 22.160 ======================= Grid point 11 (8/185) ======================= q-point: ( 0.22 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.759 ( 19.292 2.910 7.841) 21.027 0.904 ( 11.587 6.932 16.002) 20.937 1.551 ( 4.219 -7.468 4.728) 9.794 1.718 ( 19.469 8.047 10.978) 23.755 1.823 ( 12.079 -3.653 6.697) 14.286 1.963 ( 7.405 -1.078 5.402) 9.229 2.280 ( 5.217 -1.939 -1.972) 5.904 2.347 ( 4.619 9.286 2.307) 10.624 2.482 ( -6.026 3.536 0.626) 7.014 2.612 ( 0.291 -14.666 6.909) 16.214 2.937 ( 1.975 -2.144 -6.132) 6.789 3.208 ( -6.585 12.305 5.020) 14.832 3.270 ( -0.530 -2.316 -3.710) 4.406 3.538 ( 1.475 3.726 -8.039) 8.982 3.722 ( 1.519 -7.148 6.184) 9.573 3.807 ( 1.693 -0.788 0.189) 1.877 3.974 ( -2.501 1.002 3.203) 4.185 4.318 ( 2.777 -6.193 1.450) 6.940 4.416 ( 1.847 -2.206 7.650) 8.173 4.655 ( -4.435 6.225 -3.620) 8.457 4.728 ( -2.400 -5.580 -5.340) 8.088 4.999 ( -7.906 -0.895 -9.849) 12.661 5.171 ( -4.781 3.427 -10.989) 12.464 5.445 ( -3.623 -0.755 -0.497) 3.734 6.137 ( -4.342 -0.442 -2.861) 5.218 6.277 ( 5.275 3.677 5.029) 8.163 6.486 ( -0.408 0.341 0.447) 0.695 6.742 ( -1.561 -3.444 2.714) 4.654 6.855 ( -2.656 -5.367 5.899) 8.405 7.192 ( -0.457 -6.181 -5.284) 8.145 7.474 ( -9.122 9.885 5.177) 14.413 7.875 ( 2.628 4.702 9.190) 10.652 9.381 ( 6.309 1.756 3.380) 7.369 10.037 ( 18.551 -8.876 -14.970) 25.436 10.408 ( 1.165 0.182 2.812) 3.049 10.828 ( 6.092 0.552 -7.140) 9.402 12.267 ( -0.988 17.126 -2.394) 17.321 13.842 ( -3.970 -3.349 9.789) 11.081 14.085 ( -4.053 0.485 4.702) 6.226 14.658 ( -17.710 2.541 -3.345) 18.201 16.367 ( 7.545 1.168 -0.117) 7.636 16.756 ( 9.966 -7.175 -1.730) 12.401 ======================= Grid point 12 (9/185) ======================= q-point: ( 0.33 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.132 ( 15.325 5.737 6.494) 17.605 1.225 ( 9.667 4.003 14.735) 18.072 1.702 ( 6.417 -3.907 2.878) 8.045 1.833 ( -1.999 2.029 3.001) 4.138 2.024 ( -2.030 -4.614 0.595) 5.076 2.194 ( 5.156 1.923 10.057) 11.464 2.260 ( -0.471 -2.445 -0.978) 2.675 2.370 ( -0.663 -4.362 -2.050) 4.865 2.604 ( 15.777 8.502 4.631) 18.511 2.721 ( 3.418 -2.287 8.939) 9.839 3.011 ( 8.173 1.800 -6.929) 10.865 3.166 ( -0.604 5.321 6.310) 8.276 3.251 ( 0.724 -4.678 -0.051) 4.734 3.456 ( -0.303 5.555 -7.973) 9.722 3.775 ( -1.405 -9.832 2.860) 10.335 3.851 ( 1.412 5.659 1.150) 5.945 3.953 ( -3.968 -1.714 6.758) 8.022 4.349 ( 1.133 -4.726 -2.605) 5.513 4.436 ( -12.976 1.091 -5.652) 14.196 4.530 ( 1.007 2.403 6.416) 6.925 4.652 ( -1.256 -0.146 -7.350) 7.458 4.825 ( -2.337 -1.801 -3.502) 4.579 5.016 ( -1.306 1.402 -10.713) 10.883 5.380 ( -3.296 -1.046 -0.366) 3.478 6.015 ( -5.120 0.676 -3.069) 6.008 6.406 ( 3.068 0.885 3.787) 4.954 6.476 ( -1.325 -0.415 0.668) 1.541 6.731 ( -0.578 -1.092 2.438) 2.733 6.865 ( -1.481 -4.624 2.943) 5.677 7.138 ( -0.265 -4.526 -4.795) 6.599 7.369 ( -6.346 7.119 1.760) 9.698 8.001 ( 2.771 3.539 6.797) 8.148 9.509 ( 4.975 2.605 2.537) 6.162 10.183 ( 11.388 -3.465 -9.023) 14.936 10.455 ( 0.696 -0.760 3.614) 3.758 10.856 ( 4.817 1.505 -7.265) 8.846 12.353 ( 7.593 2.284 5.274) 9.523 13.765 ( -7.492 -15.435 -6.804) 18.457 14.082 ( -5.228 5.251 13.036) 14.995 14.368 ( -10.276 9.189 -4.274) 14.433 16.478 ( 5.221 0.632 -0.214) 5.264 16.878 ( 5.931 -3.960 -0.944) 7.194 ======================= Grid point 13 (10/185) ======================= q-point: ( 0.44 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.394 ( 9.134 7.579 4.333) 12.635 1.487 ( 5.424 8.020 7.958) 12.532 1.751 ( -3.612 -3.963 -1.585) 5.592 1.772 ( -0.154 1.232 -2.332) 2.642 1.974 ( -2.184 -5.504 0.400) 5.935 2.143 ( -6.473 3.461 -0.294) 7.347 2.348 ( 6.246 -3.943 5.211) 9.039 2.454 ( 2.840 -6.321 -1.676) 7.130 2.678 ( -2.086 7.368 7.378) 10.634 2.947 ( -2.561 1.251 -10.113) 10.507 3.049 ( 14.119 -1.197 5.524) 15.208 3.237 ( -1.001 -2.544 4.454) 5.226 3.321 ( 2.233 -2.029 -4.836) 5.700 3.498 ( 12.141 6.961 6.821) 15.568 3.748 ( -1.412 -0.879 -3.443) 3.824 3.806 ( -8.899 -1.622 0.751) 9.077 3.952 ( -4.021 2.674 3.623) 6.037 4.165 ( -6.270 -3.246 -3.877) 8.055 4.330 ( 0.257 -1.263 -3.295) 3.538 4.552 ( -1.768 1.772 -4.699) 5.324 4.599 ( 0.707 4.482 3.458) 5.705 4.845 ( 1.528 -3.402 4.338) 5.720 4.919 ( -0.392 -1.180 -7.973) 8.069 5.334 ( -1.469 -1.185 -0.124) 1.892 5.927 ( -2.215 1.043 -1.315) 2.779 6.444 ( -0.799 0.826 1.538) 1.920 6.461 ( -0.212 -1.439 -0.078) 1.457 6.776 ( 2.620 -5.269 1.034) 5.975 6.854 ( -1.889 1.079 1.319) 2.544 7.100 ( -0.143 -3.382 -2.298) 4.091 7.301 ( -2.407 4.703 0.423) 5.300 8.079 ( 1.107 2.919 2.432) 3.957 9.586 ( 1.862 3.284 0.898) 3.881 10.261 ( 3.910 -0.499 -2.999) 4.953 10.490 ( 0.189 -1.371 1.823) 2.289 10.863 ( 1.734 1.505 -3.174) 3.918 12.550 ( 6.755 -5.547 4.394) 9.783 13.535 ( -7.791 -19.455 -5.804) 21.746 14.129 ( -2.847 6.566 10.815) 12.968 14.227 ( -1.121 11.787 -6.713) 13.611 16.538 ( 1.831 0.312 -0.101) 1.860 16.943 ( 2.068 -2.944 -0.267) 3.608 ======================= Grid point 18 (11/185) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.728 ( 0.000 18.680 0.000) 18.680 0.771 ( 0.000 16.088 0.000) 16.088 1.243 ( 0.000 17.833 0.000) 17.833 1.362 ( 0.000 17.831 0.000) 17.831 1.421 ( 0.000 7.434 0.000) 7.434 1.777 ( 0.000 -0.529 0.000) 0.529 1.922 ( 0.000 1.690 0.000) 1.690 2.046 ( 0.000 -1.375 0.000) 1.375 2.367 ( 0.000 -14.842 0.000) 14.842 2.786 ( 0.000 -9.905 0.000) 9.905 3.128 ( 0.000 1.165 0.000) 1.165 3.146 ( 0.000 -1.973 0.000) 1.973 3.209 ( 0.000 -5.971 0.000) 5.971 3.669 ( 0.000 12.950 0.000) 12.950 3.721 ( 0.000 -1.010 0.000) 1.010 3.868 ( 0.000 4.986 0.000) 4.986 3.901 ( 0.000 -1.428 0.000) 1.428 4.102 ( 0.000 -5.637 0.000) 5.637 4.218 ( 0.000 -1.836 0.000) 1.836 4.606 ( 0.000 -11.313 0.000) 11.313 4.858 ( 0.000 3.013 0.000) 3.013 5.235 ( 0.000 -4.747 0.000) 4.747 5.476 ( 0.000 1.847 0.000) 1.847 5.527 ( 0.000 -1.081 0.000) 1.081 6.122 ( 0.000 8.833 0.000) 8.833 6.441 ( 0.000 1.165 0.000) 1.165 6.445 ( 0.000 1.063 0.000) 1.063 6.501 ( 0.000 0.307 0.000) 0.307 6.890 ( 0.000 0.514 0.000) 0.514 7.114 ( 0.000 -6.893 0.000) 6.893 7.793 ( 0.000 5.486 0.000) 5.486 7.849 ( 0.000 6.583 0.000) 6.583 9.236 ( 0.000 2.711 0.000) 2.711 9.559 ( 0.000 -3.273 0.000) 3.273 10.390 ( 0.000 2.709 0.000) 2.709 10.717 ( 0.000 -3.621 0.000) 3.621 13.316 ( 0.000 6.477 0.000) 6.477 13.598 ( 0.000 5.019 0.000) 5.019 14.221 ( 0.000 8.819 0.000) 8.819 15.064 ( 0.000 -3.785 0.000) 3.785 16.208 ( 0.000 1.468 0.000) 1.468 16.246 ( 0.000 0.297 0.000) 0.297 ======================= Grid point 19 (12/185) ======================= q-point: ( 0.11 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.723 ( 4.611 19.573 -3.647) 20.437 0.820 ( 4.369 15.635 11.639) 19.975 1.383 ( 5.668 -4.181 3.192) 7.732 1.485 ( 11.620 8.913 1.213) 14.695 1.565 ( 10.800 15.701 7.754) 20.574 1.838 ( 6.492 5.928 9.067) 12.629 2.070 ( 10.214 -1.232 3.822) 10.975 2.195 ( 10.178 -2.538 8.286) 13.367 2.323 ( -3.967 -14.328 -0.728) 14.885 2.700 ( -5.278 -1.172 -3.173) 6.269 2.983 ( -5.519 -6.485 -6.837) 10.920 3.188 ( 2.525 4.443 3.301) 6.084 3.393 ( 7.832 -7.950 6.959) 13.152 3.599 ( -9.284 10.029 3.351) 14.071 3.703 ( 1.446 1.419 -6.254) 6.574 3.788 ( -3.621 1.585 -4.400) 5.914 3.956 ( 3.361 0.005 2.247) 4.043 4.115 ( 0.903 -6.214 1.697) 6.504 4.292 ( 5.274 -0.862 2.132) 5.754 4.605 ( 0.517 -11.372 -2.047) 11.566 4.833 ( -1.842 3.425 -2.109) 4.424 5.161 ( -4.633 -3.297 -6.406) 8.565 5.405 ( -4.640 2.380 -6.093) 8.020 5.491 ( -4.201 -1.129 1.163) 4.503 6.172 ( 3.725 6.537 1.163) 7.614 6.342 ( -5.368 2.978 0.599) 6.168 6.494 ( 0.233 0.394 0.228) 0.511 6.559 ( 3.739 -3.339 3.221) 5.958 6.871 ( -3.535 0.809 3.020) 4.719 7.103 ( 0.494 -6.631 -3.208) 7.383 7.760 ( -6.525 7.819 4.099) 10.978 7.867 ( 2.664 4.598 0.479) 5.336 9.293 ( 5.093 3.039 2.410) 6.402 9.668 ( 12.821 -5.369 -2.717) 14.163 10.400 ( 0.902 2.468 0.280) 2.643 10.740 ( 3.886 -3.725 -2.471) 5.923 12.979 ( -14.152 17.859 -21.706) 31.470 13.719 ( 1.203 -3.611 6.185) 7.262 14.199 ( -7.098 8.776 10.174) 15.195 14.938 ( -12.962 -3.015 -0.148) 13.309 16.272 ( 6.676 1.748 -0.275) 6.907 16.396 ( 13.466 -3.943 0.852) 14.057 ======================= Grid point 20 (13/185) ======================= q-point: ( 0.22 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.930 ( 16.390 14.011 4.478) 22.023 1.065 ( 8.226 10.036 14.423) 19.401 1.481 ( 4.819 -1.060 5.452) 7.353 1.731 ( 6.326 -1.390 7.505) 9.913 1.825 ( 14.050 1.334 4.618) 14.850 2.082 ( 6.643 6.978 7.802) 12.397 2.214 ( 2.137 -2.813 1.049) 3.685 2.275 ( 0.796 -8.183 1.142) 8.301 2.468 ( 8.931 -2.849 11.469) 14.813 2.628 ( 0.684 6.031 -2.122) 6.430 2.901 ( 4.616 -0.451 -4.218) 6.269 3.234 ( -0.389 1.735 1.332) 2.222 3.421 ( -10.305 3.783 0.825) 11.008 3.541 ( -0.359 -5.278 4.547) 6.976 3.649 ( 0.022 4.988 -8.777) 10.095 3.768 ( 3.262 -3.222 4.735) 6.591 4.013 ( 1.950 3.695 -1.981) 4.623 4.174 ( 3.071 -7.850 3.268) 9.041 4.390 ( 4.070 -2.760 0.959) 5.010 4.572 ( -2.004 -9.520 -2.983) 10.175 4.762 ( -3.525 4.817 -2.424) 6.443 4.985 ( -6.854 -0.946 -8.636) 11.066 5.234 ( -5.791 3.304 -9.550) 11.647 5.418 ( -5.063 -1.963 0.919) 5.508 6.166 ( -4.446 3.591 -1.911) 6.027 6.343 ( 2.956 3.101 3.366) 5.448 6.487 ( -1.445 -0.322 1.046) 1.813 6.624 ( 0.789 -6.613 1.227) 6.772 6.842 ( -3.023 1.530 4.236) 5.424 7.076 ( 0.445 -5.681 -3.971) 6.945 7.656 ( -7.479 9.152 0.573) 11.833 7.948 ( 3.319 2.626 4.879) 6.459 9.434 ( 7.299 3.961 3.562) 9.037 9.895 ( 15.122 -6.364 -2.611) 16.613 10.424 ( 1.268 1.826 0.651) 2.316 10.796 ( 6.193 -3.586 -4.709) 8.567 12.604 ( -9.626 17.448 -12.228) 23.380 13.686 ( -3.818 -11.471 -8.786) 14.945 14.190 ( -7.210 8.975 15.051) 18.949 14.686 ( -14.646 -0.032 0.743) 14.665 16.395 ( 7.367 1.754 -0.664) 7.602 16.628 ( 11.656 -5.817 0.076) 13.027 ======================= Grid point 21 (14/185) ======================= q-point: ( 0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.284 ( 16.746 10.297 5.998) 20.553 1.324 ( 7.851 6.160 13.509) 16.794 1.657 ( 6.937 0.389 4.917) 8.512 1.794 ( -3.196 -4.310 4.628) 7.086 2.059 ( 3.719 3.875 2.247) 5.821 2.161 ( 1.812 -9.190 0.542) 9.383 2.245 ( 3.426 -1.017 0.891) 3.683 2.293 ( -2.971 5.059 2.699) 6.458 2.687 ( 10.873 -3.294 7.076) 13.385 2.730 ( 4.493 4.714 6.887) 9.479 3.033 ( 7.782 1.683 -4.167) 8.986 3.210 ( 0.818 0.603 -0.834) 1.314 3.284 ( -3.968 4.816 0.170) 6.242 3.539 ( -2.200 -6.890 -1.383) 7.364 3.584 ( -0.690 1.930 0.939) 2.254 3.895 ( 1.286 -3.199 6.861) 7.679 4.000 ( 1.488 7.931 -3.438) 8.771 4.218 ( -0.863 -7.619 -1.485) 7.810 4.456 ( -2.356 -6.452 -2.757) 7.401 4.478 ( 1.665 -1.288 -1.600) 2.644 4.686 ( -3.325 3.188 -2.380) 5.185 4.812 ( -5.042 0.018 -2.671) 5.706 5.061 ( -3.200 3.590 -9.985) 11.083 5.342 ( -4.212 -2.799 0.492) 5.081 6.058 ( -5.077 3.992 -1.897) 6.731 6.415 ( 1.603 -0.056 1.887) 2.477 6.472 ( -1.761 -0.140 1.995) 2.664 6.613 ( -1.097 -8.760 -1.325) 8.927 6.860 ( 0.451 2.070 4.059) 4.578 7.050 ( 0.313 -4.357 -2.906) 5.246 7.531 ( -6.248 9.696 -1.078) 11.585 8.048 ( 2.728 0.731 4.469) 5.287 9.585 ( 5.947 5.344 3.108) 8.578 10.110 ( 11.183 -4.451 -1.042) 12.082 10.451 ( 0.967 0.967 0.885) 1.629 10.851 ( 5.340 -2.443 -5.618) 8.127 12.439 ( -1.923 6.990 -2.441) 7.650 13.449 ( -10.077 -17.137 -13.627) 24.102 14.222 ( -4.701 8.210 13.301) 16.322 14.491 ( -7.959 3.881 -0.194) 8.857 16.498 ( 5.039 1.573 -0.687) 5.324 16.788 ( 7.056 -5.281 -0.278) 8.818 ======================= Grid point 22 (15/185) ======================= q-point: ( 0.44 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( 9.052 5.125 6.170) 12.094 1.647 ( 11.935 8.109 7.948) 16.473 1.715 ( -0.979 0.071 0.522) 1.112 1.744 ( -4.506 -1.119 0.140) 4.645 1.971 ( -8.691 4.604 -6.537) 11.809 2.174 ( -1.460 -3.751 0.187) 4.029 2.287 ( 4.979 0.942 3.685) 6.266 2.386 ( 2.641 -0.386 1.439) 3.032 2.810 ( -0.335 5.849 7.174) 9.262 2.931 ( -1.582 -4.004 0.095) 4.307 2.999 ( 9.487 -1.956 -1.589) 9.816 3.244 ( -2.109 0.371 -7.618) 7.913 3.278 ( 1.100 0.058 3.480) 3.650 3.538 ( 2.723 -11.160 1.967) 11.654 3.629 ( 2.869 1.955 3.203) 4.724 3.868 ( -4.111 2.362 -0.428) 4.761 4.039 ( -0.704 5.703 1.774) 6.014 4.133 ( -2.109 -0.030 -3.740) 4.294 4.343 ( -1.822 2.461 -3.188) 4.421 4.558 ( 2.467 -3.296 -1.465) 4.370 4.598 ( -1.876 -1.902 -0.729) 2.769 4.782 ( -1.070 -3.827 3.382) 5.218 4.950 ( -0.918 5.219 -5.726) 7.802 5.292 ( -1.697 -3.103 0.135) 3.539 5.978 ( -2.203 4.353 -0.839) 4.950 6.436 ( 0.153 -0.933 0.502) 1.070 6.460 ( -1.303 0.289 1.051) 1.698 6.591 ( 0.024 -11.256 -1.037) 11.303 6.909 ( 0.948 2.382 2.296) 3.442 7.033 ( 0.048 -3.416 -1.482) 3.724 7.441 ( -2.652 9.984 -0.758) 10.358 8.111 ( 1.027 -0.398 1.708) 2.032 9.678 ( 2.254 6.425 1.236) 6.920 10.242 ( 4.171 -2.258 -0.082) 4.743 10.470 ( 0.317 0.218 0.501) 0.632 10.873 ( 1.890 -1.121 -2.811) 3.568 12.458 ( 2.200 -2.880 1.782) 4.039 13.175 ( -7.141 -18.255 -7.360) 20.939 14.259 ( -1.854 6.796 6.261) 9.425 14.401 ( -1.888 6.262 -1.506) 6.712 16.552 ( 1.752 1.388 -0.289) 2.254 16.867 ( 2.369 -4.899 -0.138) 5.443 ======================= Grid point 27 (16/185) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.956 ( 0.000 6.410 0.000) 6.410 1.116 ( 0.000 19.817 0.000) 19.817 1.159 ( 0.000 -7.876 0.000) 7.876 1.678 ( 0.000 13.333 0.000) 13.333 1.782 ( 0.000 -6.126 0.000) 6.126 1.837 ( 0.000 8.495 0.000) 8.495 1.912 ( 0.000 1.771 0.000) 1.771 2.104 ( 0.000 19.278 0.000) 19.278 2.165 ( 0.000 -5.870 0.000) 5.870 2.640 ( 0.000 -4.969 0.000) 4.969 2.902 ( 0.000 -13.191 0.000) 13.191 3.002 ( 0.000 -15.284 0.000) 15.284 3.327 ( 0.000 10.876 0.000) 10.876 3.721 ( 0.000 -1.397 0.000) 1.397 3.851 ( 0.000 3.594 0.000) 3.594 3.852 ( 0.000 -3.230 0.000) 3.230 3.998 ( 0.000 10.773 0.000) 10.773 4.045 ( 0.000 -0.328 0.000) 0.328 4.154 ( 0.000 -5.306 0.000) 5.306 4.395 ( 0.000 -9.658 0.000) 9.658 4.914 ( 0.000 3.387 0.000) 3.387 5.125 ( 0.000 -6.633 0.000) 6.633 5.512 ( 0.000 1.627 0.000) 1.627 5.523 ( 0.000 0.418 0.000) 0.418 6.276 ( 0.000 7.269 0.000) 7.269 6.443 ( 0.000 -1.433 0.000) 1.433 6.465 ( 0.000 1.396 0.000) 1.396 6.503 ( 0.000 -0.222 0.000) 0.222 6.904 ( 0.000 1.144 0.000) 1.144 7.005 ( 0.000 -4.621 0.000) 4.621 7.892 ( 0.000 4.557 0.000) 4.557 7.938 ( 0.000 2.716 0.000) 2.716 9.302 ( 0.000 4.220 0.000) 4.220 9.483 ( 0.000 -4.633 0.000) 4.633 10.456 ( 0.000 4.182 0.000) 4.182 10.637 ( 0.000 -4.742 0.000) 4.742 13.442 ( 0.000 6.613 0.000) 6.613 13.626 ( 0.000 -1.763 0.000) 1.763 14.460 ( 0.000 15.299 0.000) 15.299 14.952 ( 0.000 -8.383 0.000) 8.383 16.232 ( 0.000 1.024 0.000) 1.024 16.249 ( 0.000 -0.001 0.000) 0.001 ======================= Grid point 28 (17/185) ======================= q-point: ( 0.11 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.989 ( 4.226 8.711 2.864) 10.097 1.112 ( -0.536 10.197 10.027) 14.311 1.289 ( 7.964 1.294 2.746) 8.523 1.703 ( 2.525 11.543 1.954) 11.976 1.783 ( 1.938 7.975 -1.691) 8.380 1.875 ( 2.280 -13.477 4.343) 14.342 2.039 ( 6.491 -2.296 4.583) 8.271 2.180 ( 3.106 -1.196 3.041) 4.509 2.249 ( 9.369 16.540 7.785) 20.541 2.654 ( 1.250 -2.080 0.487) 2.475 2.844 ( 1.125 -7.566 -4.525) 8.887 3.149 ( 7.892 -15.561 5.986) 18.446 3.325 ( -0.088 8.487 -0.317) 8.494 3.643 ( -10.268 -2.689 3.440) 11.158 3.797 ( 1.379 4.306 -4.422) 6.324 3.886 ( -8.272 7.544 -1.853) 11.348 3.939 ( 2.993 -2.483 3.659) 5.340 4.068 ( 5.212 0.955 -4.258) 6.798 4.222 ( 4.675 -5.655 -1.977) 7.599 4.410 ( 2.130 -7.926 -0.935) 8.260 4.894 ( -1.941 3.516 -0.623) 4.064 5.079 ( -3.239 -5.215 -3.575) 7.104 5.447 ( -4.888 1.905 -4.113) 6.667 5.478 ( -4.689 -0.297 -0.267) 4.706 6.297 ( 1.700 6.417 -0.608) 6.667 6.404 ( -4.061 3.166 2.151) 5.581 6.483 ( 1.041 -2.044 -1.542) 2.764 6.505 ( -0.719 -2.297 2.663) 3.589 6.893 ( -1.951 1.499 1.510) 2.886 6.998 ( 0.471 -4.520 -2.302) 5.095 7.881 ( -3.233 4.901 1.662) 6.102 7.933 ( 1.097 2.149 -0.935) 2.588 9.367 ( 5.893 4.702 2.504) 7.944 9.570 ( 8.822 -5.365 1.248) 10.400 10.464 ( 1.138 4.263 -0.506) 4.442 10.655 ( 2.953 -5.071 -1.587) 6.079 13.257 ( -8.990 12.379 -16.396) 22.425 13.617 ( -1.088 -7.024 -5.416) 8.936 14.420 ( -8.889 13.434 10.017) 18.969 14.844 ( -12.256 -7.186 2.621) 14.447 16.301 ( 7.229 1.355 -0.449) 7.369 16.350 ( 9.942 -1.556 0.352) 10.069 ======================= Grid point 29 (18/185) ======================= q-point: ( 0.22 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.180 ( 11.205 10.305 8.018) 17.206 1.278 ( 5.746 10.970 12.000) 17.244 1.456 ( 6.968 -0.521 8.158) 10.741 1.769 ( -3.860 1.220 4.607) 6.133 1.875 ( 10.214 4.541 2.909) 11.550 1.936 ( 5.158 -7.858 1.638) 9.541 2.150 ( 2.844 -5.028 1.648) 6.008 2.309 ( 4.889 -5.516 2.723) 7.858 2.498 ( 8.375 11.937 8.906) 17.086 2.688 ( 2.292 2.566 3.514) 4.918 2.921 ( 10.245 1.263 -1.795) 10.478 3.266 ( -0.882 -7.227 1.830) 7.507 3.312 ( -2.145 0.877 -1.682) 2.863 3.520 ( -5.403 -7.036 6.517) 11.007 3.715 ( -4.818 8.530 -6.890) 11.977 3.823 ( 1.624 6.448 1.995) 6.942 4.029 ( 3.114 -6.022 3.113) 7.460 4.129 ( 6.938 4.471 -5.595) 9.971 4.234 ( 0.492 -10.198 -3.647) 10.841 4.440 ( 2.852 -5.598 -2.829) 6.891 4.840 ( -3.615 3.716 -0.488) 5.207 4.956 ( -5.685 -2.164 -5.787) 8.396 5.294 ( -6.446 2.968 -6.127) 9.376 5.379 ( -6.035 -2.043 -0.108) 6.373 6.263 ( -4.880 6.230 -0.798) 7.954 6.391 ( 0.276 2.056 1.475) 2.546 6.471 ( -1.313 -1.399 0.657) 2.028 6.511 ( -1.106 -5.698 0.260) 5.810 6.878 ( -1.153 2.203 2.101) 3.255 6.985 ( 0.669 -3.945 -2.235) 4.583 7.811 ( -4.676 7.150 -0.789) 8.580 7.967 ( 1.946 -0.731 1.672) 2.668 9.528 ( 8.544 5.926 4.067) 11.165 9.778 ( 12.130 -6.443 2.740) 14.006 10.484 ( 1.931 4.551 -1.010) 5.046 10.705 ( 4.989 -5.836 -2.825) 8.181 12.914 ( -11.562 15.511 -16.192) 25.228 13.450 ( -7.310 -13.191 -14.712) 21.068 14.374 ( -8.361 9.819 12.928) 18.261 14.650 ( -12.643 -3.894 4.655) 14.024 16.432 ( 7.873 2.170 -0.889) 8.215 16.539 ( 10.554 -3.782 -0.058) 11.212 ======================= Grid point 30 (19/185) ======================= q-point: ( 0.33 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.449 ( 4.812 7.041 11.928) 14.663 1.496 ( 13.531 10.671 5.960) 18.234 1.683 ( 4.863 0.708 2.889) 5.701 1.726 ( -0.065 -3.309 9.160) 9.739 2.015 ( 1.900 -3.651 0.263) 4.124 2.125 ( 8.847 4.408 5.385) 11.256 2.183 ( 1.973 -4.841 -0.507) 5.252 2.371 ( 1.707 -2.586 1.941) 3.656 2.664 ( 5.369 4.011 5.036) 8.383 2.813 ( 2.858 3.811 8.402) 9.658 3.078 ( 4.720 2.612 -3.383) 6.368 3.173 ( -1.365 -7.004 -3.937) 8.150 3.266 ( -1.734 -0.013 2.224) 2.820 3.524 ( -3.838 -7.045 -1.037) 8.089 3.601 ( -1.226 8.520 -0.112) 8.608 3.899 ( 2.291 4.162 2.864) 5.547 4.058 ( -0.141 -7.328 -1.325) 7.448 4.165 ( 2.809 6.483 -3.621) 7.940 4.279 ( 7.032 -8.751 0.989) 11.270 4.442 ( 1.637 -4.037 -5.089) 6.699 4.746 ( -5.644 2.880 -4.624) 7.844 4.809 ( -5.646 -0.482 -2.081) 6.037 5.143 ( -4.470 4.545 -4.957) 8.075 5.283 ( -4.765 -3.256 0.261) 5.777 6.159 ( -5.549 6.376 -0.709) 8.482 6.396 ( -1.738 -3.075 1.844) 3.984 6.461 ( 0.062 -1.427 -0.840) 1.657 6.472 ( -2.101 -4.369 -1.248) 5.005 6.899 ( 0.840 1.890 2.431) 3.192 6.981 ( 0.552 -3.016 -1.173) 3.283 7.722 ( -4.055 10.156 -1.495) 11.037 8.017 ( 1.621 -4.110 1.868) 4.797 9.707 ( 7.087 7.479 3.994) 11.050 10.004 ( 9.768 -6.936 3.638) 12.520 10.509 ( 2.132 5.154 -1.334) 5.735 10.766 ( 4.971 -6.298 -3.199) 8.638 12.613 ( -8.406 11.245 -9.583) 16.998 13.136 ( -11.270 -15.916 -15.240) 24.750 14.366 ( -5.116 6.822 10.038) 13.171 14.519 ( -6.826 -0.733 3.307) 7.620 16.539 ( 5.295 2.817 -0.934) 6.070 16.690 ( 6.908 -4.969 -0.363) 8.517 ======================= Grid point 31 (20/185) ======================= q-point: ( 0.44 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.594 ( 3.194 2.388 4.435) 5.964 1.660 ( -1.318 -1.840 0.699) 2.369 1.786 ( 7.267 6.471 8.341) 12.816 1.874 ( 7.035 9.030 -0.651) 11.465 2.035 ( -1.862 -2.657 -0.240) 3.253 2.075 ( -5.054 -0.477 -1.152) 5.205 2.342 ( 5.963 2.218 0.479) 6.380 2.400 ( -0.277 0.844 2.412) 2.570 2.834 ( 3.308 -3.517 8.195) 9.511 2.877 ( -0.527 -0.938 5.940) 6.036 3.000 ( 1.087 2.379 -8.296) 8.698 3.162 ( -1.962 -5.346 -3.843) 6.870 3.338 ( 4.638 -2.999 2.586) 6.098 3.400 ( -3.835 2.186 -3.391) 5.566 3.614 ( -1.146 -0.665 1.673) 2.133 3.876 ( -2.823 -3.252 -0.513) 4.336 4.111 ( 4.036 3.632 1.243) 5.570 4.191 ( 1.704 3.880 -0.584) 4.278 4.377 ( 0.843 0.093 -0.736) 1.123 4.448 ( 4.028 -5.059 -0.352) 6.477 4.604 ( -3.719 1.577 -4.051) 5.721 4.713 ( -4.038 -3.273 -0.827) 5.263 5.064 ( -1.351 5.837 -1.433) 6.161 5.228 ( -1.793 -3.542 0.154) 3.972 6.081 ( -2.343 6.360 -0.377) 6.788 6.376 ( -1.743 -8.875 1.265) 9.132 6.433 ( 0.024 -0.778 -1.994) 2.140 6.459 ( -0.245 -1.216 0.192) 1.255 6.936 ( 0.763 0.765 1.539) 1.880 6.978 ( 0.146 -2.216 -0.693) 2.326 7.659 ( -1.678 12.458 -0.759) 12.593 8.049 ( 0.609 -6.212 0.758) 6.287 9.822 ( 2.704 8.614 1.726) 9.192 10.151 ( 3.629 -7.166 1.973) 8.271 10.529 ( 1.132 5.926 -0.733) 6.078 10.806 ( 2.092 -5.903 -1.627) 6.471 12.470 ( -2.163 4.373 -2.143) 5.329 12.859 ( -6.305 -15.030 -7.125) 17.788 14.373 ( -1.837 5.111 3.969) 6.727 14.466 ( -1.808 0.935 0.780) 2.179 16.594 ( 1.820 3.119 -0.399) 3.633 16.767 ( 2.347 -5.464 -0.193) 5.950 ======================= Grid point 36 (21/185) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.043 ( 0.000 -4.485 0.000) 4.485 1.043 ( 0.000 4.485 0.000) 4.485 1.486 ( 0.000 -19.007 0.000) 19.007 1.486 ( 0.000 19.007 0.000) 19.007 1.847 ( 0.000 -6.372 0.000) 6.372 1.847 ( 0.000 6.372 0.000) 6.372 2.042 ( 0.000 -9.319 0.000) 9.319 2.042 ( 0.000 9.319 0.000) 9.319 2.545 ( 0.000 -15.217 0.000) 15.217 2.545 ( 0.000 15.217 0.000) 15.217 2.735 ( 0.000 -2.162 0.000) 2.162 2.735 ( 0.000 2.162 0.000) 2.162 3.560 ( 0.000 -13.117 0.000) 13.117 3.560 ( 0.000 13.117 0.000) 13.117 3.851 ( 0.000 -1.747 0.000) 1.747 3.851 ( 0.000 1.747 0.000) 1.747 4.072 ( 0.000 -2.842 0.000) 2.842 4.072 ( 0.000 2.842 0.000) 2.842 4.215 ( 0.000 -10.595 0.000) 10.595 4.215 ( 0.000 10.595 0.000) 10.595 5.002 ( 0.000 -5.923 0.000) 5.923 5.002 ( 0.000 5.923 0.000) 5.923 5.529 ( 0.000 -0.142 0.000) 0.142 5.529 ( 0.000 0.142 0.000) 0.142 6.388 ( 0.000 -4.481 0.000) 4.481 6.388 ( 0.000 4.481 0.000) 4.481 6.490 ( 0.000 -1.109 0.000) 1.109 6.490 ( 0.000 1.109 0.000) 1.109 6.938 ( 0.000 -2.575 0.000) 2.575 6.938 ( 0.000 2.575 0.000) 2.575 7.951 ( 0.000 -1.361 0.000) 1.361 7.951 ( 0.000 1.361 0.000) 1.361 9.390 ( 0.000 -5.014 0.000) 5.014 9.390 ( 0.000 5.014 0.000) 5.014 10.544 ( 0.000 -4.952 0.000) 4.952 10.544 ( 0.000 4.952 0.000) 4.952 13.555 ( 0.000 -5.206 0.000) 5.206 13.555 ( 0.000 5.206 0.000) 5.206 14.743 ( 0.000 -13.649 0.000) 13.649 14.743 ( 0.000 13.649 0.000) 13.649 16.246 ( 0.000 -0.426 0.000) 0.426 16.246 ( 0.000 0.426 0.000) 0.426 ======================= Grid point 38 (22/185) ======================= q-point: ( 0.11 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.099 ( 3.830 -4.293 7.063) 9.109 1.099 ( 3.830 4.293 7.063) 9.109 1.542 ( 3.335 -17.762 2.990) 18.318 1.542 ( 3.335 17.762 2.990) 18.318 1.868 ( -0.072 -3.507 2.775) 4.473 1.868 ( -0.072 3.507 2.775) 4.473 2.063 ( 3.499 -7.428 1.455) 8.339 2.063 ( 3.499 7.428 1.455) 8.339 2.585 ( 3.246 -10.188 0.925) 10.733 2.585 ( 3.246 10.188 0.925) 10.733 2.840 ( 9.104 -12.646 3.734) 16.023 2.840 ( 9.104 12.646 3.734) 16.023 3.516 ( -5.278 -10.182 0.188) 11.470 3.516 ( -5.278 10.182 0.188) 11.470 3.870 ( 1.968 -3.805 0.269) 4.293 3.870 ( 1.968 3.805 0.269) 4.293 4.008 ( -3.548 -5.710 -2.184) 7.068 4.008 ( -3.548 5.710 -2.184) 7.068 4.266 ( 5.149 -7.746 -2.798) 9.713 4.266 ( 5.149 7.746 -2.798) 9.713 4.977 ( -2.351 -5.238 -0.948) 5.819 4.977 ( -2.351 5.238 -0.948) 5.819 5.471 ( -4.979 -0.660 -2.297) 5.523 5.471 ( -4.979 0.660 -2.297) 5.523 6.404 ( 1.760 -4.658 -0.725) 5.032 6.404 ( 1.760 4.658 -0.725) 5.032 6.466 ( -3.554 -2.154 1.839) 4.545 6.466 ( -3.554 2.154 1.839) 4.545 6.931 ( -0.346 -2.654 -0.591) 2.741 6.931 ( -0.346 2.654 -0.591) 2.741 7.941 ( -0.947 -1.380 -0.148) 1.681 7.941 ( -0.947 1.380 -0.148) 1.681 9.466 ( 7.041 -5.578 2.365) 9.289 9.466 ( 7.041 5.578 2.365) 9.289 10.556 ( 1.909 -5.284 -1.027) 5.711 10.556 ( 1.909 5.284 -1.027) 5.711 13.461 ( -4.807 -9.480 -11.436) 15.613 13.461 ( -4.807 9.480 -11.436) 15.613 14.665 ( -10.853 -11.740 6.165) 17.136 14.665 ( -10.853 11.740 6.165) 17.136 16.325 ( 8.198 -1.257 -0.205) 8.297 16.325 ( 8.198 1.257 -0.205) 8.297 ======================= Grid point 40 (23/185) ======================= q-point: ( 0.22 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.316 ( 9.700 -4.482 12.745) 16.632 1.316 ( 9.700 4.482 12.745) 16.632 1.600 ( -0.672 -12.804 4.489) 13.585 1.600 ( -0.672 12.804 4.489) 13.585 1.952 ( 6.594 -3.484 4.420) 8.670 1.952 ( 6.594 3.484 4.420) 8.670 2.142 ( 3.766 -7.866 -0.841) 8.761 2.142 ( 3.766 7.866 -0.841) 8.761 2.683 ( 4.866 -5.386 4.867) 8.739 2.683 ( 4.866 5.386 4.867) 8.739 3.039 ( 8.602 -12.662 1.772) 15.410 3.039 ( 8.602 12.662 1.772) 15.410 3.398 ( -7.960 -5.492 1.482) 9.784 3.398 ( -7.960 5.492 1.482) 9.784 3.892 ( 0.288 -8.141 -3.879) 9.023 3.892 ( 0.288 8.141 -3.879) 9.023 3.974 ( 2.310 -10.030 1.067) 10.348 3.974 ( 2.310 10.030 1.067) 10.348 4.310 ( 4.162 -8.120 -4.916) 10.365 4.310 ( 4.162 8.120 -4.916) 10.365 4.905 ( -4.363 -3.138 -2.078) 5.762 4.905 ( -4.363 3.138 -2.078) 5.762 5.341 ( -6.534 -2.064 -2.781) 7.395 5.341 ( -6.534 2.064 -2.781) 7.395 6.381 ( -4.507 -5.481 -0.517) 7.115 6.381 ( -4.507 5.481 -0.517) 7.115 6.443 ( -0.002 -0.919 0.904) 1.289 6.443 ( -0.002 0.919 0.904) 1.289 6.924 ( 0.149 -2.701 -0.146) 2.710 6.924 ( 0.149 2.701 -0.146) 2.710 7.920 ( -1.172 -4.234 -0.262) 4.401 7.920 ( -1.172 4.234 -0.262) 4.401 9.651 ( 10.082 -6.840 4.197) 12.886 9.651 ( 10.082 6.840 4.197) 12.886 10.588 ( 3.328 -6.202 -1.849) 7.277 10.588 ( 3.328 6.202 -1.849) 7.277 13.193 ( -10.222 -14.149 -16.800) 24.226 13.193 ( -10.222 14.149 -16.800) 24.226 14.541 ( -10.537 -7.544 8.766) 15.646 14.541 ( -10.537 7.544 8.766) 15.646 16.478 ( 9.022 -2.769 -0.630) 9.458 16.478 ( 9.022 2.769 -0.630) 9.458 ======================= Grid point 42 (24/185) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.575 ( 2.246 -4.809 9.940) 11.268 1.575 ( 2.246 4.809 9.940) 11.268 1.677 ( 9.029 -2.190 6.268) 11.207 1.677 ( 9.029 2.190 6.268) 11.207 2.061 ( 1.019 -6.729 -0.898) 6.865 2.061 ( 1.019 6.729 -0.898) 6.865 2.247 ( 8.324 -7.805 4.729) 12.352 2.247 ( 8.324 7.805 4.729) 12.352 2.788 ( 0.938 -6.574 3.845) 7.674 2.788 ( 0.938 6.574 3.845) 7.674 3.109 ( 0.782 -0.583 -2.733) 2.902 3.109 ( 0.782 0.583 -2.733) 2.902 3.336 ( -1.500 -8.279 3.238) 9.015 3.336 ( -1.500 8.279 3.238) 9.015 3.819 ( -3.122 -11.641 -4.580) 12.893 3.819 ( -3.122 11.641 -4.580) 12.893 4.080 ( 6.252 -8.413 2.973) 10.895 4.080 ( 6.252 8.413 2.973) 10.895 4.333 ( 4.128 -7.135 -4.533) 9.407 4.333 ( 4.128 7.135 -4.533) 9.407 4.789 ( -5.916 -1.690 -3.593) 7.125 4.789 ( -5.916 1.690 -3.593) 7.125 5.220 ( -4.828 -3.616 -1.362) 6.184 5.220 ( -4.828 3.616 -1.362) 6.184 6.287 ( -5.323 -6.935 -0.266) 8.746 6.287 ( -5.323 6.935 -0.266) 8.746 6.445 ( 0.006 -0.560 -0.594) 0.816 6.445 ( 0.006 0.560 -0.594) 0.816 6.934 ( 0.655 -2.026 0.607) 2.214 6.934 ( 0.655 2.026 0.607) 2.214 7.898 ( -0.937 -8.174 -0.299) 8.233 7.898 ( -0.937 8.174 -0.299) 8.233 9.858 ( 8.319 -8.207 4.552) 12.541 9.858 ( 8.319 8.207 4.552) 12.541 10.632 ( 3.656 -7.366 -2.038) 8.473 10.632 ( 3.656 7.366 -2.038) 8.473 12.853 ( -11.038 -13.997 -13.879) 22.592 12.853 ( -11.038 13.997 -13.879) 22.592 14.471 ( -5.968 -4.181 6.597) 9.829 14.471 ( -5.968 4.181 6.597) 9.829 16.604 ( 6.053 -4.050 -0.764) 7.323 16.604 ( 6.053 4.050 -0.764) 7.323 ======================= Grid point 44 (25/185) ======================= q-point: ( 0.44 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.632 ( 0.156 -1.573 2.565) 3.013 1.632 ( 0.156 1.573 2.565) 3.013 1.905 ( 5.965 -5.672 4.786) 9.522 1.905 ( 5.965 5.672 4.786) 9.522 2.049 ( 0.779 -5.041 -1.072) 5.212 2.049 ( 0.779 5.041 -1.072) 5.212 2.382 ( 1.312 -2.390 1.622) 3.172 2.382 ( 1.312 2.390 1.622) 3.172 2.823 ( 0.779 -2.542 4.891) 5.567 2.823 ( 0.779 2.542 4.891) 5.567 3.070 ( -0.622 -4.314 -5.354) 6.904 3.070 ( -0.622 4.314 -5.354) 6.904 3.352 ( -0.159 -4.706 1.813) 5.045 3.352 ( -0.159 4.706 1.813) 5.045 3.735 ( -2.162 -10.100 -1.769) 10.479 3.735 ( -2.162 10.100 -1.769) 10.479 4.192 ( 3.057 -3.641 1.080) 4.875 4.192 ( 3.057 3.641 1.080) 4.875 4.387 ( 4.347 -2.122 -0.308) 4.847 4.387 ( 4.347 2.122 -0.308) 4.847 4.652 ( -5.085 -3.209 -3.054) 6.744 4.652 ( -5.085 3.209 -3.054) 6.744 5.157 ( -1.666 -4.148 -0.191) 4.474 5.157 ( -1.666 4.148 -0.191) 4.474 6.214 ( -2.277 -7.804 -0.228) 8.133 6.214 ( -2.277 7.804 -0.228) 8.133 6.438 ( -0.120 -0.885 -0.383) 0.972 6.438 ( -0.120 0.885 -0.383) 0.972 6.950 ( 0.352 -0.957 0.397) 1.095 6.950 ( 0.352 0.957 0.397) 1.095 7.884 ( -0.372 -10.884 -0.142) 10.891 7.884 ( -0.372 10.884 -0.142) 10.891 9.993 ( 3.136 -9.133 2.117) 9.886 9.993 ( 3.136 9.133 2.117) 9.886 10.668 ( 1.797 -8.076 -0.948) 8.327 10.668 ( 1.797 8.076 -0.948) 8.327 12.615 ( -4.862 -10.639 -5.349) 12.862 12.615 ( -4.862 10.639 -5.349) 12.862 14.447 ( -1.833 -2.662 2.341) 3.991 14.447 ( -1.833 2.662 2.341) 3.991 16.669 ( 2.073 -4.727 -0.342) 5.173 16.669 ( 2.073 4.727 -0.342) 5.173 ======================= Grid point 81 (26/185) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.343 ( -0.989 0.000 16.658) 16.687 0.417 ( -0.413 0.000 19.061) 19.066 0.901 ( 4.835 0.000 41.643) 41.923 1.114 ( 39.284 0.000 0.950) 39.295 1.717 ( 5.855 0.000 -3.357) 6.749 1.756 ( 3.421 0.000 7.251) 8.017 1.780 ( -7.381 0.000 1.692) 7.573 2.129 ( 9.707 0.000 15.604) 18.377 2.662 ( 4.985 0.000 -3.350) 6.006 2.865 ( 4.235 0.000 -9.291) 10.211 3.044 ( -6.770 0.000 -4.524) 8.142 3.138 ( -7.408 0.000 -3.373) 8.140 3.220 ( 3.746 0.000 -4.191) 5.621 3.511 ( 0.843 0.000 4.964) 5.035 3.554 ( 4.722 0.000 -7.434) 8.807 3.789 ( 0.831 0.000 0.627) 1.041 4.054 ( 0.196 0.000 12.663) 12.664 4.297 ( 4.061 0.000 -0.226) 4.068 4.356 ( 6.947 0.000 -6.606) 9.587 4.672 ( -3.564 0.000 4.682) 5.884 4.877 ( -3.170 0.000 -1.168) 3.378 5.262 ( -3.338 0.000 -6.408) 7.226 5.319 ( -6.139 0.000 -0.390) 6.151 5.497 ( -1.755 0.000 -6.983) 7.200 5.975 ( 4.914 0.000 6.407) 8.074 6.374 ( -7.082 0.000 -2.374) 7.469 6.414 ( 4.242 0.000 -0.016) 4.242 6.810 ( 2.019 0.000 0.481) 2.075 6.922 ( 4.546 0.000 -6.124) 7.627 7.482 ( 12.693 0.000 -4.555) 13.485 7.501 ( -9.985 0.000 9.421) 13.728 7.703 ( 43.473 0.000 2.493) 43.544 9.256 ( 0.585 0.000 6.296) 6.323 10.298 ( -89.565 0.000 1.489) 89.577 10.307 ( 4.246 0.000 -3.439) 5.464 10.733 ( -3.404 0.000 -1.330) 3.654 11.941 ( 0.698 0.000 7.651) 7.682 13.955 ( 5.131 0.000 -11.775) 12.845 14.462 ( 17.417 0.000 8.926) 19.571 15.111 ( -3.915 0.000 -0.770) 3.990 16.155 ( 0.049 0.000 0.945) 0.947 16.241 ( 9.076 0.000 -0.344) 9.082 ======================= Grid point 82 (27/185) ======================= q-point: ( 0.11 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.678 ( 9.366 0.000 15.764) 18.336 0.747 ( 20.343 0.000 13.732) 24.544 1.442 ( 16.972 0.000 25.557) 30.679 1.597 ( 20.338 0.000 -8.849) 22.180 1.752 ( 1.730 0.000 9.035) 9.199 1.880 ( 4.347 0.000 6.353) 7.698 1.892 ( 12.890 0.000 -2.812) 13.193 2.401 ( 3.538 0.000 12.996) 13.469 2.643 ( -5.828 0.000 2.052) 6.178 2.817 ( 1.322 0.000 -10.157) 10.243 2.969 ( 2.673 0.000 -4.536) 5.265 2.991 ( -3.955 0.000 -1.515) 4.235 3.164 ( -1.398 0.000 -8.105) 8.225 3.504 ( -2.491 0.000 -4.407) 5.062 3.644 ( 8.451 0.000 -3.150) 9.019 3.849 ( 3.019 0.000 4.732) 5.613 4.156 ( -2.369 0.000 12.817) 13.034 4.343 ( 1.820 0.000 -2.601) 3.175 4.424 ( 5.240 0.000 -1.811) 5.544 4.650 ( -2.984 0.000 5.344) 6.121 4.781 ( -5.007 0.000 -4.250) 6.568 5.105 ( -6.102 0.000 -6.937) 9.239 5.131 ( -12.286 0.000 -4.873) 13.217 5.413 ( -0.473 0.000 -7.577) 7.592 6.157 ( 8.567 0.000 5.928) 10.418 6.224 ( -7.060 0.000 -3.513) 7.886 6.459 ( 1.876 0.000 -1.171) 2.211 6.835 ( -0.439 0.000 2.037) 2.084 6.948 ( 4.287 0.000 -5.127) 6.683 7.371 ( -12.447 0.000 5.128) 13.462 7.448 ( -1.141 0.000 -6.909) 7.002 8.136 ( 0.810 0.000 9.245) 9.280 9.275 ( -0.739 0.000 3.563) 3.639 9.755 ( 1.109 0.000 9.490) 9.554 10.358 ( 4.649 0.000 -2.948) 5.505 10.697 ( 1.208 0.000 -1.807) 2.174 12.067 ( 4.122 0.000 10.623) 11.394 13.892 ( 2.670 0.000 -11.664) 11.965 14.422 ( -15.867 0.000 17.977) 23.977 14.899 ( -17.022 0.000 -3.706) 17.420 16.231 ( 6.676 0.000 0.883) 6.734 16.544 ( 18.818 0.000 -7.926) 20.419 ======================= Grid point 83 (28/185) ======================= q-point: ( 0.22 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.984 ( 10.371 0.000 12.790) 16.466 1.186 ( 14.444 0.000 15.692) 21.327 1.567 ( 2.990 0.000 -14.014) 14.329 1.944 ( 5.376 0.000 12.594) 13.693 2.005 ( 12.236 0.000 3.616) 12.759 2.039 ( 6.552 0.000 -4.664) 8.042 2.158 ( 23.193 0.000 16.285) 28.339 2.438 ( -5.703 0.000 3.800) 6.853 2.525 ( -11.248 0.000 4.510) 12.119 2.753 ( 3.410 0.000 -7.818) 8.530 2.962 ( -3.609 0.000 0.147) 3.612 3.054 ( 8.163 0.000 1.427) 8.287 3.129 ( 7.007 0.000 -4.839) 8.516 3.370 ( -3.699 0.000 -9.935) 10.601 3.723 ( 3.152 0.000 -2.926) 4.301 3.950 ( 1.915 0.000 6.577) 6.850 4.187 ( -4.469 0.000 4.295) 6.198 4.340 ( -0.175 0.000 3.319) 3.324 4.487 ( 2.403 0.000 -1.054) 2.624 4.636 ( -8.512 0.000 1.832) 8.707 4.642 ( -5.482 0.000 -3.553) 6.532 4.875 ( -7.606 0.000 -2.374) 7.968 4.967 ( -3.577 0.000 -3.520) 5.018 5.333 ( 0.348 0.000 -9.406) 9.412 6.075 ( -6.349 0.000 -3.301) 7.156 6.354 ( 7.933 0.000 4.589) 9.164 6.470 ( 0.863 0.000 -1.131) 1.423 6.830 ( -2.650 0.000 2.665) 3.759 6.970 ( 1.473 0.000 -1.358) 2.003 7.192 ( -9.588 0.000 -0.703) 9.613 7.351 ( -2.438 0.000 -6.695) 7.125 8.179 ( -7.156 0.000 16.503) 17.987 9.349 ( 7.771 0.000 -3.602) 8.565 9.964 ( 10.743 0.000 6.106) 12.357 10.397 ( 4.387 0.000 -6.000) 7.432 10.745 ( 3.793 0.000 2.402) 4.489 12.278 ( 7.960 0.000 12.199) 14.567 13.839 ( 4.198 0.000 -13.248) 13.898 14.356 ( -11.280 0.000 17.319) 20.668 14.503 ( -22.652 0.000 -5.748) 23.370 16.364 ( 7.304 0.000 0.616) 7.330 16.740 ( 11.763 0.000 -4.888) 12.739 ======================= Grid point 84 (29/185) ======================= q-point: ( 0.33 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.259 ( 8.499 0.000 10.823) 13.761 1.437 ( -0.870 0.000 -2.373) 2.528 1.569 ( 12.517 0.000 3.505) 12.999 1.919 ( -7.873 0.000 -4.060) 8.859 2.116 ( -2.490 0.000 2.415) 3.469 2.158 ( 6.681 0.000 -6.260) 9.155 2.343 ( -8.818 0.000 0.332) 8.824 2.431 ( 2.910 0.000 2.783) 4.026 2.691 ( 15.854 0.000 8.900) 18.182 2.791 ( 5.954 0.000 -4.903) 7.713 2.907 ( -0.461 0.000 4.819) 4.841 3.122 ( 5.395 0.000 -14.210) 15.200 3.285 ( 10.294 0.000 4.256) 11.139 3.324 ( 4.635 0.000 1.769) 4.961 3.698 ( -1.929 0.000 -3.532) 4.025 4.008 ( -3.063 0.000 6.109) 6.834 4.093 ( -7.503 0.000 -2.548) 7.924 4.316 ( -13.592 0.000 -7.499) 15.524 4.426 ( -3.491 0.000 12.137) 12.629 4.447 ( 0.528 0.000 -7.066) 7.085 4.589 ( -2.255 0.000 2.616) 3.454 4.882 ( 1.626 0.000 3.941) 4.263 4.934 ( -0.094 0.000 3.426) 3.427 5.257 ( 1.860 0.000 -10.688) 10.848 5.957 ( -4.106 0.000 -1.871) 4.512 6.472 ( 0.568 0.000 -0.859) 1.029 6.485 ( 2.123 0.000 3.137) 3.788 6.802 ( -2.787 0.000 2.873) 4.003 6.945 ( -4.792 0.000 0.534) 4.821 7.087 ( 1.179 0.000 -3.579) 3.769 7.252 ( -1.504 0.000 -7.014) 7.173 8.196 ( -6.869 0.000 12.568) 14.322 9.443 ( 7.176 0.000 -4.904) 8.692 10.194 ( 7.562 0.000 8.872) 11.657 10.399 ( 4.338 0.000 -9.397) 10.350 10.853 ( 2.761 0.000 7.590) 8.077 12.546 ( 9.276 0.000 11.287) 14.609 13.783 ( 4.756 0.000 -16.039) 16.729 14.059 ( -20.839 0.000 -5.994) 21.684 14.335 ( -8.734 0.000 14.623) 17.032 16.479 ( 5.041 0.000 0.577) 5.074 16.871 ( 7.626 0.000 -2.921) 8.167 ======================= Grid point 85 (30/185) ======================= q-point: (-0.56 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.368 ( -0.487 0.000 -7.229) 7.246 1.416 ( -2.398 0.000 4.830) 5.393 1.765 ( -2.494 0.000 -2.564) 3.576 1.790 ( 4.615 0.000 3.936) 6.065 2.039 ( -6.232 0.000 -5.454) 8.282 2.066 ( -2.408 0.000 1.648) 2.918 2.357 ( 8.633 0.000 -5.025) 9.989 2.363 ( -3.721 0.000 -15.584) 16.022 2.703 ( -9.153 0.000 1.822) 9.333 2.944 ( 8.185 0.000 8.697) 11.943 3.065 ( 4.927 0.000 -16.839) 17.545 3.125 ( 7.813 0.000 4.337) 8.936 3.438 ( 3.692 0.000 2.987) 4.749 3.516 ( 5.373 0.000 3.062) 6.184 3.615 ( -1.312 0.000 -3.212) 3.470 3.823 ( -12.842 0.000 -3.704) 13.365 3.941 ( -6.552 0.000 -0.085) 6.553 4.165 ( 0.594 0.000 0.828) 1.019 4.437 ( 1.568 0.000 -4.972) 5.213 4.507 ( -2.079 0.000 11.475) 11.662 4.584 ( 0.800 0.000 4.210) 4.286 4.924 ( -0.838 0.000 3.260) 3.366 5.005 ( 1.000 0.000 7.512) 7.578 5.217 ( 4.665 0.000 -8.749) 9.914 5.914 ( 0.000 0.000 0.772) 0.772 6.475 ( 0.498 0.000 -0.509) 0.712 6.482 ( -3.938 0.000 2.234) 4.527 6.783 ( -2.616 0.000 -1.953) 3.264 6.874 ( -0.497 0.000 -0.793) 0.936 7.131 ( 3.566 0.000 2.088) 4.133 7.173 ( 0.482 0.000 -8.206) 8.221 8.162 ( -7.917 0.000 7.247) 10.733 9.494 ( 3.747 0.000 -4.951) 6.209 10.378 ( 4.055 0.000 -10.609) 11.357 10.385 ( 2.703 0.000 13.510) 13.777 10.961 ( -0.379 0.000 10.633) 10.640 12.707 ( -2.610 0.000 3.684) 4.514 13.704 ( 4.732 0.000 -18.829) 19.414 13.785 ( -3.597 0.000 0.166) 3.601 14.316 ( -7.420 0.000 11.183) 13.421 16.542 ( 1.578 0.000 0.709) 1.730 16.945 ( 3.639 0.000 -2.075) 4.189 ======================= Grid point 86 (31/185) ======================= q-point: (-0.44 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.245 ( -8.758 0.000 -6.009) 10.621 1.269 ( -12.907 0.000 -0.193) 12.909 1.729 ( -1.162 0.000 -11.111) 11.171 1.748 ( -2.725 0.000 -2.906) 3.983 2.013 ( 4.155 0.000 -7.266) 8.370 2.061 ( 1.540 0.000 -2.734) 3.138 2.240 ( 3.519 0.000 -1.331) 3.763 2.473 ( 10.190 0.000 -6.469) 12.070 2.530 ( -10.188 0.000 0.354) 10.194 2.898 ( -0.103 0.000 -17.934) 17.934 2.998 ( -25.335 0.000 -1.163) 25.361 3.196 ( 3.188 0.000 9.776) 10.282 3.430 ( -1.418 0.000 4.874) 5.076 3.454 ( -2.617 0.000 0.702) 2.710 3.715 ( 6.338 0.000 -4.733) 7.911 3.760 ( 3.980 0.000 -2.898) 4.923 3.854 ( -1.223 0.000 -2.413) 2.705 4.309 ( 8.462 0.000 10.099) 13.176 4.361 ( -1.176 0.000 -8.427) 8.508 4.525 ( -3.676 0.000 1.664) 4.035 4.711 ( 4.066 0.000 9.202) 10.060 4.947 ( -1.479 0.000 8.989) 9.110 5.071 ( 3.126 0.000 0.211) 3.133 5.272 ( 5.419 0.000 0.535) 5.445 5.968 ( 3.871 0.000 2.932) 4.856 6.426 ( -4.135 0.000 0.318) 4.147 6.480 ( 0.398 0.000 -0.256) 0.473 6.679 ( -3.214 0.000 -5.472) 6.346 6.897 ( 2.097 0.000 -0.588) 2.178 7.112 ( 2.272 0.000 -10.594) 10.835 7.233 ( 3.386 0.000 6.562) 7.384 8.056 ( -9.523 0.000 2.647) 9.884 9.477 ( -0.430 0.000 -4.892) 4.910 10.346 ( 3.419 0.000 -10.124) 10.686 10.544 ( -1.895 0.000 20.230) 20.318 11.026 ( -4.070 0.000 11.501) 12.200 12.508 ( -15.858 0.000 -4.898) 16.597 13.599 ( 4.530 0.000 -21.346) 21.822 13.958 ( 15.774 0.000 7.569) 17.496 14.282 ( -6.452 0.000 7.374) 9.798 16.544 ( -2.293 0.000 0.838) 2.442 16.958 ( 0.001 0.000 -1.699) 1.699 ======================= Grid point 87 (32/185) ======================= q-point: (-0.33 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.949 ( -18.080 0.000 -5.177) 18.806 1.024 ( -16.467 0.000 1.435) 16.529 1.552 ( -0.504 0.000 -14.561) 14.570 1.727 ( -0.245 0.000 -3.671) 3.679 1.926 ( -3.545 0.000 -12.406) 12.902 2.061 ( 0.806 0.000 -6.664) 6.713 2.351 ( 2.991 0.000 4.959) 5.791 2.365 ( -6.239 0.000 -1.474) 6.411 2.475 ( -26.263 0.000 3.209) 26.458 2.652 ( 12.381 0.000 -8.095) 14.793 2.767 ( 2.798 0.000 -13.113) 13.408 3.149 ( -11.046 0.000 4.530) 11.939 3.483 ( -2.013 0.000 8.088) 8.335 3.504 ( 3.957 0.000 3.332) 5.173 3.700 ( 2.203 0.000 -9.322) 9.578 3.822 ( -0.859 0.000 -2.587) 2.726 3.857 ( 4.794 0.000 3.419) 5.889 4.289 ( 2.845 0.000 -9.419) 9.840 4.412 ( -3.706 0.000 -7.644) 8.495 4.552 ( 6.006 0.000 9.173) 10.964 4.835 ( 1.159 0.000 7.171) 7.264 5.061 ( 2.128 0.000 13.682) 13.846 5.151 ( 7.030 0.000 -1.577) 7.205 5.380 ( 3.874 0.000 4.559) 5.982 6.086 ( 6.023 0.000 3.282) 6.860 6.308 ( -8.331 0.000 -3.510) 9.040 6.482 ( 0.059 0.000 -0.106) 0.121 6.629 ( 3.184 0.000 -4.489) 5.504 6.916 ( 1.293 0.000 -1.628) 2.080 7.042 ( 2.348 0.000 -14.324) 14.516 7.359 ( 2.087 0.000 10.011) 10.226 7.893 ( -10.157 0.000 -0.584) 10.174 9.396 ( -3.729 0.000 -4.236) 5.643 10.312 ( 2.836 0.000 -8.721) 9.171 10.715 ( -4.387 0.000 30.548) 30.862 11.026 ( -7.716 0.000 10.078) 12.692 12.190 ( -13.653 0.000 -5.216) 14.615 13.464 ( 3.925 0.000 -23.918) 24.238 14.231 ( -5.170 0.000 3.469) 6.226 14.353 ( 19.848 0.000 7.840) 21.340 16.480 ( -5.952 0.000 0.857) 6.014 16.921 ( -2.300 0.000 -1.705) 2.863 ======================= Grid point 88 (33/185) ======================= q-point: (-0.22 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.589 ( -19.232 0.000 1.314) 19.277 0.723 ( -19.882 0.000 2.576) 20.048 1.426 ( -31.495 0.000 -1.846) 31.549 1.530 ( 6.529 0.000 -1.803) 6.773 1.757 ( -4.359 0.000 -6.463) 7.796 1.941 ( -3.763 0.000 -10.133) 10.809 2.177 ( -12.236 0.000 -3.646) 12.768 2.318 ( -12.319 0.000 1.201) 12.377 2.335 ( 8.952 0.000 -4.937) 10.223 2.745 ( 7.237 0.000 -8.830) 11.417 2.839 ( 14.724 0.000 -5.139) 15.595 3.117 ( 1.426 0.000 7.682) 7.813 3.448 ( -6.956 0.000 -0.021) 6.956 3.537 ( -3.179 0.000 0.967) 3.323 3.669 ( 0.927 0.000 -3.567) 3.686 3.791 ( 0.124 0.000 -1.333) 1.339 3.955 ( 2.127 0.000 4.054) 4.578 4.280 ( 6.334 0.000 -10.416) 12.191 4.290 ( -1.286 0.000 -6.757) 6.878 4.675 ( -0.088 0.000 6.290) 6.290 4.894 ( -0.091 0.000 4.366) 4.367 5.236 ( 3.822 0.000 10.709) 11.371 5.258 ( 6.220 0.000 -1.766) 6.466 5.485 ( 3.550 0.000 4.250) 5.538 6.103 ( -10.091 0.000 -4.414) 11.014 6.223 ( 7.004 0.000 1.239) 7.113 6.485 ( 0.026 0.000 1.666) 1.666 6.680 ( 6.334 0.000 -3.888) 7.433 6.902 ( -2.651 0.000 -16.803) 17.011 6.915 ( 1.090 0.000 -2.747) 2.956 7.475 ( -0.889 0.000 11.998) 12.031 7.720 ( -7.613 0.000 -2.239) 7.936 9.288 ( -4.702 0.000 -1.988) 5.105 10.287 ( 2.746 0.000 -7.017) 7.535 10.948 ( -9.660 0.000 6.259) 11.510 11.015 ( 0.734 0.000 46.523) 46.529 11.977 ( -7.396 0.000 -1.324) 7.513 13.280 ( 1.039 0.000 -26.353) 26.373 14.171 ( -3.436 0.000 -0.448) 3.465 14.746 ( 17.733 0.000 5.674) 18.619 16.360 ( -8.504 0.000 0.752) 8.537 16.850 ( -3.124 0.000 -4.175) 5.214 ======================= Grid point 89 (34/185) ======================= q-point: (-0.11 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.440 ( -17.490 0.000 10.327) 20.311 0.441 ( -9.771 0.000 22.207) 24.262 0.825 ( -37.371 0.000 14.164) 39.966 1.631 ( -27.094 0.000 -31.097) 41.244 1.664 ( 5.297 0.000 -0.480) 5.318 1.702 ( -11.404 0.000 -7.795) 13.813 1.862 ( 3.644 0.000 2.030) 4.172 2.033 ( -16.807 0.000 -0.142) 16.807 2.524 ( 13.726 0.000 -2.982) 14.047 2.827 ( 8.798 0.000 -7.459) 11.534 3.049 ( 12.227 0.000 -1.322) 12.298 3.221 ( 0.552 0.000 3.148) 3.196 3.277 ( -9.091 0.000 -4.404) 10.102 3.469 ( -3.655 0.000 3.311) 4.932 3.627 ( -0.836 0.000 -7.365) 7.412 3.788 ( 0.031 0.000 -0.643) 0.644 3.992 ( -2.482 0.000 4.804) 5.407 4.253 ( 1.792 0.000 -2.898) 3.407 4.307 ( 7.535 0.000 -9.809) 12.370 4.680 ( -4.621 0.000 6.283) 7.800 4.912 ( -1.348 0.000 1.875) 2.309 5.312 ( 2.423 0.000 -3.397) 4.172 5.349 ( -0.014 0.000 5.061) 5.061 5.557 ( 1.859 0.000 -1.882) 2.645 5.932 ( -5.461 0.000 0.881) 5.531 6.321 ( 5.093 0.000 -1.667) 5.359 6.527 ( -3.537 0.000 -0.026) 3.537 6.755 ( 5.336 0.000 -2.411) 5.856 6.755 ( 6.716 0.000 12.363) 14.069 6.910 ( 2.425 0.000 -4.374) 5.001 7.534 ( -5.365 0.000 11.853) 13.010 7.606 ( -2.577 0.000 -3.428) 4.288 9.223 ( -2.376 0.000 2.244) 3.268 10.282 ( 3.320 0.000 -5.245) 6.207 10.830 ( -7.801 0.000 1.874) 8.024 11.556 ( 3.277 0.000 10.634) 11.127 11.904 ( -2.624 0.000 3.584) 4.442 13.162 ( 17.706 0.000 18.793) 25.820 14.109 ( -1.226 0.000 -3.163) 3.392 15.037 ( 10.498 0.000 2.683) 10.836 16.220 ( -7.574 0.000 0.696) 7.606 16.654 ( -14.204 0.000 -18.168) 23.062 ======================= Grid point 90 (35/185) ======================= q-point: ( 0.00 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.290 ( 9.612 4.757 13.201) 17.008 0.513 ( -4.649 14.316 10.342) 18.262 1.137 ( 12.474 7.962 4.522) 15.474 1.179 ( 2.610 20.632 32.245) 38.370 1.644 ( 1.374 -6.726 7.763) 10.363 1.785 ( 2.059 1.726 -0.617) 2.757 1.871 ( 3.014 5.411 0.240) 6.199 2.150 ( 10.399 0.084 11.239) 15.312 2.573 ( 3.339 -11.188 -5.247) 12.801 2.823 ( -8.586 -0.523 -7.674) 11.528 3.033 ( 9.240 0.523 -0.322) 9.261 3.137 ( -8.664 -0.776 -4.057) 9.598 3.331 ( 4.274 7.669 -3.782) 9.559 3.500 ( 2.033 0.417 5.726) 6.091 3.590 ( 0.935 2.348 -7.341) 7.764 3.781 ( 0.469 -0.652 -1.403) 1.617 4.004 ( 1.264 -4.465 5.008) 6.827 4.204 ( 2.895 -7.354 -0.215) 7.907 4.374 ( 3.041 -0.750 3.898) 5.001 4.676 ( -2.973 1.506 -0.741) 3.414 4.836 ( -2.453 -4.167 -0.746) 4.893 5.211 ( -3.563 -3.733 -7.803) 9.355 5.375 ( -4.507 3.498 -1.983) 6.040 5.515 ( -1.343 1.010 -5.526) 5.776 6.022 ( 3.843 4.549 4.321) 7.358 6.397 ( -6.266 2.211 -1.463) 6.803 6.422 ( 3.837 0.796 -0.201) 3.924 6.678 ( 4.223 -10.274 7.725) 13.530 6.836 ( 5.667 -0.519 -3.475) 6.668 7.324 ( -4.826 -8.928 2.728) 10.509 7.675 ( 4.275 9.391 1.245) 10.393 7.769 ( 13.433 5.091 3.713) 14.837 9.249 ( -0.288 0.152 5.544) 5.553 9.833 ( -26.296 -16.099 13.521) 33.667 10.371 ( -2.568 0.829 1.028) 2.888 10.737 ( -2.694 -1.427 -2.765) 4.116 12.518 ( -12.307 30.073 -22.084) 39.288 13.830 ( 6.757 -9.828 -4.413) 12.717 14.328 ( 10.106 -2.710 18.572) 21.317 15.109 ( -3.283 -0.401 -0.051) 3.308 16.180 ( 0.106 1.585 0.172) 1.598 16.240 ( 4.333 0.100 -0.155) 4.337 ======================= Grid point 91 (36/185) ======================= q-point: ( 0.11 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.615 ( 12.820 -0.746 16.490) 20.900 0.820 ( 19.126 7.261 11.633) 23.534 1.408 ( 12.711 -6.598 -3.622) 14.772 1.591 ( 12.649 10.601 24.520) 29.557 1.771 ( 5.432 -2.054 8.284) 10.117 1.911 ( 5.828 3.893 6.854) 9.803 2.028 ( 13.952 8.091 -1.907) 16.240 2.416 ( 2.610 1.173 11.066) 11.430 2.575 ( 5.595 -14.031 -2.511) 15.313 2.614 ( -8.238 -3.860 -2.625) 9.469 2.940 ( -8.141 -0.939 -4.112) 9.169 3.157 ( 6.230 6.263 -3.129) 9.371 3.298 ( -2.044 13.578 -5.561) 14.814 3.460 ( -1.869 -2.095 -5.995) 6.620 3.692 ( 7.260 2.622 0.487) 7.734 3.797 ( 0.959 -6.203 3.749) 7.311 4.051 ( -0.165 -7.037 3.451) 7.840 4.257 ( 3.213 -6.999 -0.796) 7.742 4.483 ( 2.205 -0.824 8.612) 8.928 4.619 ( -0.900 0.989 -4.178) 4.387 4.763 ( -4.351 -3.282 -2.294) 5.913 5.039 ( -7.362 -2.837 -7.042) 10.576 5.207 ( -10.057 4.226 -5.752) 12.333 5.435 ( -1.044 1.568 -6.841) 7.095 6.148 ( 3.251 0.612 2.283) 4.020 6.282 ( -3.063 4.603 0.573) 5.559 6.467 ( 2.025 0.574 -1.467) 2.566 6.770 ( 1.387 -7.654 2.117) 8.062 6.892 ( 3.605 -1.906 -1.817) 4.464 7.236 ( -7.204 -8.218 1.163) 10.991 7.594 ( -6.151 9.327 -2.592) 11.469 8.058 ( 3.877 -4.647 12.167) 13.589 9.292 ( 1.685 1.950 2.927) 3.900 9.748 ( 3.528 -0.708 8.384) 9.124 10.380 ( 2.690 1.286 -1.654) 3.410 10.701 ( 1.865 -0.271 -3.175) 3.692 12.284 ( -3.250 18.097 -1.250) 18.429 13.794 ( 1.611 -9.305 -11.916) 15.204 14.432 ( -11.091 2.014 18.120) 21.340 14.922 ( -15.655 1.871 -2.384) 15.945 16.244 ( 6.313 1.143 0.455) 6.432 16.478 ( 17.242 -5.125 -3.579) 18.340 ======================= Grid point 92 (37/185) ======================= q-point: ( 0.22 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.985 ( 13.802 1.655 12.088) 18.421 1.235 ( 13.473 4.688 14.605) 20.415 1.543 ( 8.724 -2.461 -5.339) 10.520 1.909 ( 3.675 0.764 9.681) 10.383 1.975 ( 5.031 -1.178 1.557) 5.396 2.057 ( 11.478 2.029 -0.270) 11.659 2.274 ( 8.720 1.744 8.287) 12.155 2.413 ( -0.528 -3.411 0.578) 3.500 2.507 ( -5.427 2.656 3.554) 7.010 2.724 ( 5.836 -2.897 2.160) 6.865 2.863 ( 3.284 -1.637 0.521) 3.707 3.164 ( 0.220 5.948 -3.633) 6.973 3.278 ( 0.836 5.980 0.912) 6.107 3.337 ( -0.505 4.246 -11.165) 11.955 3.752 ( 2.133 0.207 -4.511) 4.994 3.893 ( 1.649 -5.774 8.937) 10.767 4.076 ( -1.054 -6.669 4.431) 8.076 4.282 ( 1.642 -5.151 -2.718) 6.051 4.546 ( -2.558 -5.273 -3.772) 6.970 4.601 ( 1.199 5.291 4.942) 7.338 4.627 ( -8.687 -3.886 -3.955) 10.305 4.879 ( -5.330 0.848 0.514) 5.422 4.984 ( -7.150 2.405 -6.048) 9.668 5.353 ( -0.451 1.315 -7.980) 8.100 6.079 ( -6.106 1.327 -2.269) 6.648 6.374 ( 5.568 1.607 3.458) 6.749 6.482 ( 1.459 0.974 -0.647) 1.870 6.780 ( -1.228 -6.030 0.399) 6.166 6.926 ( 0.394 -2.412 1.503) 2.869 7.117 ( -5.300 -5.615 -1.890) 7.949 7.450 ( -6.054 8.155 -4.834) 11.248 8.170 ( -3.874 -0.995 14.816) 15.346 9.380 ( 7.420 3.241 -2.340) 8.428 9.961 ( 10.464 -0.360 6.743) 12.454 10.405 ( 3.402 0.553 -4.926) 6.012 10.746 ( 4.360 -0.154 0.883) 4.451 12.328 ( 3.791 5.070 7.274) 9.643 13.687 ( -0.070 -13.728 -14.497) 19.966 14.399 ( -10.448 4.322 15.723) 19.366 14.585 ( -18.384 6.501 -3.569) 19.824 16.369 ( 7.155 0.515 0.279) 7.179 16.697 ( 12.164 -3.992 -3.366) 13.238 ======================= Grid point 93 (38/185) ======================= q-point: ( 0.33 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.290 ( 10.877 4.028 7.054) 13.576 1.518 ( 4.369 5.623 9.555) 11.916 1.633 ( 7.881 6.290 -2.106) 10.301 1.893 ( -7.678 -0.789 -1.196) 7.810 2.025 ( -2.068 -7.133 0.781) 7.467 2.160 ( 5.957 0.294 -6.218) 8.616 2.304 ( -4.092 -6.730 -4.010) 8.838 2.396 ( -1.949 -0.718 6.795) 7.105 2.713 ( 15.098 1.859 -2.367) 15.395 2.837 ( 1.989 3.905 5.174) 6.780 2.928 ( 4.899 2.384 2.306) 5.916 3.167 ( 2.211 1.553 -10.294) 10.643 3.231 ( 4.369 -2.760 0.615) 5.204 3.411 ( 7.924 8.909 4.120) 12.614 3.708 ( -1.287 -1.884 -5.091) 5.579 3.956 ( -4.124 -3.723 6.189) 8.317 4.084 ( -2.432 -1.330 2.576) 3.784 4.271 ( -9.711 -4.653 -3.849) 11.435 4.322 ( -3.839 -3.009 -2.081) 5.303 4.508 ( -0.498 0.907 -4.279) 4.402 4.646 ( -1.485 2.081 3.193) 4.090 4.865 ( -0.888 -0.188 -0.562) 1.068 4.911 ( 0.217 -1.536 6.755) 6.931 5.279 ( 0.695 1.388 -8.002) 8.151 5.966 ( -4.392 1.616 -1.465) 4.903 6.442 ( 1.350 -1.644 -0.600) 2.210 6.516 ( -0.312 1.653 2.782) 3.251 6.757 ( -0.404 -6.199 -0.069) 6.212 6.919 ( -3.805 -1.033 2.161) 4.496 7.056 ( 1.384 -2.771 -2.590) 4.038 7.315 ( -3.548 6.467 -5.820) 9.396 8.211 ( -5.487 0.867 11.317) 12.607 9.478 ( 6.952 3.737 -4.181) 8.931 10.190 ( 7.612 -0.456 8.052) 11.089 10.404 ( 3.581 0.437 -7.975) 8.753 10.852 ( 3.437 -0.297 6.436) 7.302 12.508 ( 6.694 -3.333 9.045) 11.737 13.524 ( -3.025 -19.009 -13.534) 23.530 14.234 ( -13.045 10.611 -5.812) 17.792 14.398 ( -8.018 6.056 12.073) 15.707 16.480 ( 5.034 0.182 0.385) 5.052 16.842 ( 7.788 -2.898 -2.363) 8.639 ======================= Grid point 94 (39/185) ======================= q-point: (-0.56 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.460 ( 3.144 8.289 -0.460) 8.877 1.522 ( -7.032 10.518 -2.696) 12.936 1.711 ( -1.938 -3.052 -0.176) 3.620 1.819 ( 2.245 1.052 4.864) 5.460 1.968 ( -2.923 -7.944 -1.119) 8.538 2.095 ( -2.892 4.634 -3.279) 6.371 2.272 ( 3.519 -6.576 -13.359) 15.300 2.371 ( 0.264 0.310 -3.351) 3.376 2.724 ( -4.790 1.351 -3.110) 5.869 2.958 ( 6.053 0.792 9.017) 10.889 3.077 ( 0.694 0.465 -15.927) 15.949 3.141 ( 7.433 1.888 3.878) 8.594 3.321 ( 4.344 -6.094 1.969) 7.738 3.607 ( 4.101 -1.012 -3.958) 5.788 3.677 ( 4.511 8.688 2.509) 10.106 3.782 ( -15.044 -3.306 -1.896) 15.519 3.976 ( -7.495 3.648 -0.518) 8.352 4.147 ( 1.609 -1.005 3.866) 4.306 4.368 ( 1.334 -4.947 2.078) 5.529 4.526 ( 3.028 1.323 1.100) 3.483 4.626 ( -1.853 2.200 2.449) 3.778 4.853 ( -1.001 -5.543 1.587) 5.852 5.004 ( 1.760 -0.610 6.197) 6.471 5.245 ( 2.504 1.736 -4.326) 5.291 5.920 ( -0.237 1.225 0.754) 1.458 6.448 ( 0.623 -2.071 -1.073) 2.414 6.490 ( -4.175 0.629 2.147) 4.737 6.780 ( 2.241 -7.400 -0.435) 7.744 6.840 ( -4.332 2.975 -2.779) 5.945 7.096 ( 2.756 -3.184 1.012) 4.331 7.237 ( 0.607 6.626 -4.475) 8.018 8.185 ( -7.052 1.745 6.460) 9.722 9.529 ( 3.487 3.705 -4.787) 6.985 10.336 ( 3.034 -3.179 -1.101) 4.530 10.413 ( 2.583 1.783 3.111) 4.420 10.966 ( 0.541 0.162 10.174) 10.189 12.621 ( -2.914 -7.689 1.769) 8.411 13.431 ( 5.372 -17.233 -3.864) 18.460 14.005 ( -4.804 12.125 -10.050) 16.465 14.378 ( -5.908 5.359 8.942) 11.983 16.543 ( 1.700 0.198 0.692) 1.846 16.921 ( 3.507 -2.558 -1.801) 4.699 ======================= Grid point 95 (40/185) ======================= q-point: (-0.44 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.293 ( -12.413 4.101 -5.865) 14.328 1.344 ( -12.758 7.720 -2.396) 15.103 1.681 ( -2.695 -3.084 -9.269) 10.134 1.832 ( -1.642 5.811 0.274) 6.044 1.941 ( 2.761 -5.280 -3.196) 6.761 2.078 ( 2.257 2.932 -6.249) 7.263 2.205 ( 5.069 -3.662 -3.837) 7.337 2.398 ( 2.453 -5.766 -5.274) 8.191 2.592 ( -5.568 4.994 -2.650) 7.935 2.899 ( -5.874 -3.208 -10.363) 12.336 3.047 ( -5.980 5.022 -6.358) 10.070 3.189 ( -0.644 0.012 8.973) 8.996 3.369 ( -12.251 -2.465 -0.888) 12.528 3.482 ( 5.713 2.067 5.429) 8.147 3.664 ( 2.786 -6.976 -7.772) 10.809 3.837 ( 5.443 5.647 1.716) 8.028 3.871 ( -3.111 3.680 -2.853) 5.600 4.300 ( 6.312 -2.596 4.078) 7.950 4.380 ( 2.122 1.940 1.289) 3.150 4.509 ( -3.193 -0.254 -3.446) 4.705 4.710 ( 3.014 -0.669 8.112) 8.680 4.879 ( -0.136 -5.367 8.581) 10.122 5.078 ( 4.943 0.135 -1.013) 5.048 5.290 ( 2.727 0.811 3.173) 4.262 5.970 ( 3.805 0.701 2.770) 4.758 6.433 ( -3.200 0.163 0.025) 3.204 6.452 ( 0.233 -1.524 -0.781) 1.728 6.726 ( -3.704 2.083 -3.856) 5.738 6.809 ( 1.506 -5.535 -2.597) 6.296 7.133 ( 2.890 -2.013 -3.124) 4.708 7.269 ( 3.453 6.796 2.860) 8.142 8.089 ( -8.567 2.698 2.170) 9.240 9.507 ( -0.757 3.171 -4.972) 5.945 10.318 ( 2.194 -3.399 -8.494) 9.408 10.510 ( -3.148 -2.098 15.258) 15.720 11.046 ( -3.224 0.871 11.644) 12.113 12.461 ( -10.503 -3.316 -3.723) 11.626 13.587 ( 10.369 -5.552 -6.038) 13.221 13.917 ( 4.830 1.601 -2.639) 5.732 14.362 ( -2.603 5.629 4.437) 7.625 16.548 ( -2.074 0.540 0.964) 2.351 16.929 ( -0.628 -2.909 -1.592) 3.375 ======================= Grid point 96 (41/185) ======================= q-point: (-0.33 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.998 ( -16.166 4.759 -4.893) 17.548 1.060 ( -18.245 4.336 -0.385) 18.757 1.486 ( -1.740 -3.654 -12.721) 13.349 1.816 ( -3.388 2.989 -1.561) 4.780 1.925 ( -2.924 2.977 -12.912) 13.570 1.981 ( -3.120 -4.190 -4.468) 6.874 2.302 ( 1.409 -3.925 3.371) 5.363 2.374 ( 1.073 -4.614 -1.803) 5.068 2.475 ( -0.596 -4.599 -11.587) 12.481 2.628 ( -18.345 10.033 3.164) 21.148 2.952 ( 8.411 11.016 -11.639) 18.098 3.132 ( -10.709 -1.288 4.570) 11.715 3.298 ( 0.716 -8.233 3.090) 8.822 3.613 ( -0.705 -3.257 -5.122) 6.111 3.662 ( 5.177 1.888 6.565) 8.572 3.806 ( -1.328 -0.907 -3.059) 3.456 3.922 ( 2.965 5.270 0.700) 6.087 4.295 ( 0.775 -2.534 -6.247) 6.786 4.360 ( -3.643 -1.612 -8.717) 9.584 4.592 ( 7.461 3.148 7.755) 11.212 4.799 ( -0.547 -3.792 6.985) 7.967 5.019 ( 4.466 -2.889 11.424) 12.602 5.178 ( 8.289 1.697 -2.075) 8.712 5.375 ( 1.987 -0.858 6.124) 6.495 6.084 ( 5.629 0.256 3.333) 6.547 6.334 ( -6.953 2.377 -2.921) 7.907 6.459 ( 1.297 -1.830 -1.015) 2.462 6.668 ( 1.415 3.044 -3.449) 4.813 6.782 ( -0.884 -7.367 -4.788) 8.830 7.159 ( 4.921 2.733 -5.449) 7.834 7.368 ( 1.759 4.782 7.130) 8.763 7.943 ( -8.654 4.333 -0.513) 9.692 9.419 ( -4.048 2.496 -4.314) 6.421 10.273 ( 1.071 -5.110 -7.251) 8.935 10.573 ( -8.523 -8.685 20.204) 23.585 11.055 ( -7.709 -0.453 9.934) 12.582 12.312 ( -3.262 11.652 1.989) 12.262 13.549 ( 3.246 7.529 -21.133) 22.668 14.092 ( 4.241 -9.725 7.562) 13.029 14.432 ( 10.466 4.007 2.103) 11.403 16.490 ( -5.687 1.067 1.038) 5.879 16.872 ( -4.256 -4.584 -1.816) 6.513 ======================= Grid point 97 (42/185) ======================= q-point: (-0.22 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.663 ( -18.589 4.449 -4.494) 19.636 0.735 ( -18.393 6.888 6.055) 20.552 1.464 ( 4.628 -4.334 -1.409) 6.495 1.557 ( -23.732 10.805 -2.147) 26.164 1.704 ( -8.507 -5.894 -5.534) 11.736 1.833 ( -8.525 -3.014 -6.897) 11.373 2.222 ( -10.018 0.450 -8.388) 13.073 2.294 ( -5.763 -1.964 -2.764) 6.686 2.458 ( 0.294 -0.822 -2.717) 2.854 2.542 ( 9.649 -0.653 1.221) 9.748 2.988 ( 6.124 4.903 -5.613) 9.646 3.158 ( 6.723 4.726 4.277) 9.264 3.301 ( -2.487 -8.692 0.276) 9.045 3.507 ( -4.631 -2.541 -6.518) 8.390 3.772 ( 0.174 -2.918 -1.810) 3.438 3.783 ( 0.512 6.626 5.603) 8.693 3.942 ( -0.340 -0.028 -1.011) 1.067 4.218 ( -1.639 -6.326 -5.751) 8.705 4.288 ( 2.663 1.004 -5.482) 6.177 4.736 ( 2.264 4.820 3.959) 6.635 4.838 ( -0.886 -6.041 4.708) 7.710 5.193 ( 5.418 -2.776 5.584) 8.261 5.305 ( 7.076 2.493 -0.299) 7.508 5.469 ( 2.481 -1.615 5.597) 6.332 6.147 ( -7.630 3.939 -2.241) 8.874 6.225 ( 4.981 0.849 0.404) 5.069 6.475 ( 0.990 -1.021 0.447) 1.490 6.685 ( -3.947 -5.810 -3.456) 7.828 6.701 ( 4.844 0.810 -6.062) 7.802 7.205 ( 6.874 8.498 -6.112) 12.523 7.434 ( -2.546 2.375 7.561) 8.324 7.812 ( -5.269 7.051 -0.055) 8.802 9.306 ( -4.978 1.906 -2.074) 5.720 10.222 ( -0.893 -9.348 -4.477) 10.403 10.582 ( -13.899 -18.044 22.570) 32.065 10.968 ( -9.837 -3.659 5.208) 11.717 12.467 ( 13.757 31.881 16.577) 38.477 13.363 ( 0.523 8.444 -26.523) 27.840 14.126 ( -1.986 -4.117 0.665) 4.619 14.734 ( 17.309 -1.411 4.242) 17.877 16.377 ( -8.243 1.589 0.853) 8.438 16.741 ( -8.695 -8.676 -3.516) 12.776 ======================= Grid point 98 (43/185) ======================= q-point: (-0.11 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.289 ( -19.279 1.532 0.531) 19.347 0.626 ( -9.494 14.129 14.449) 22.328 1.099 ( -24.935 21.663 12.764) 35.411 1.364 ( -25.111 -5.814 -8.573) 27.163 1.585 ( 0.285 -6.501 5.115) 8.277 1.735 ( 3.336 1.849 0.534) 3.851 1.977 ( -6.909 1.179 -5.936) 9.185 2.058 ( -10.367 1.716 -3.956) 11.229 2.521 ( 7.395 -6.572 -4.274) 10.777 2.781 ( 14.361 2.686 1.281) 14.666 3.021 ( -0.437 -3.885 -5.675) 6.891 3.256 ( -0.466 -2.494 0.473) 2.581 3.306 ( 2.957 7.499 -3.214) 8.678 3.381 ( -0.878 -3.851 1.961) 4.410 3.716 ( -3.938 3.195 -6.151) 7.972 3.791 ( 0.317 1.606 -1.909) 2.515 3.944 ( -0.357 -2.688 4.483) 5.239 4.179 ( 1.042 -6.041 -2.266) 6.536 4.310 ( 3.018 -1.276 -0.838) 3.382 4.738 ( -3.663 4.259 0.927) 5.694 4.858 ( -0.712 -5.512 1.830) 5.851 5.276 ( 2.654 -3.561 -3.693) 5.776 5.396 ( 1.997 3.055 1.458) 3.930 5.543 ( 2.010 -1.475 -0.038) 2.494 6.004 ( -4.784 6.638 -0.062) 8.183 6.323 ( 5.404 0.633 0.235) 5.446 6.526 ( 0.227 -0.902 3.475) 3.598 6.545 ( -5.176 -4.106 1.316) 6.737 6.766 ( 6.426 0.661 -4.178) 7.693 7.304 ( 8.520 5.279 -2.064) 10.233 7.444 ( 0.866 7.567 3.995) 8.600 7.761 ( -2.781 9.031 1.964) 9.652 9.233 ( -2.742 1.263 1.865) 3.549 10.132 ( -10.971 -21.663 2.875) 24.452 10.485 ( -17.576 -16.909 15.525) 28.911 10.839 ( -7.468 -3.938 0.378) 8.451 12.969 ( 4.744 31.998 -31.370) 45.061 13.238 ( 27.725 9.799 29.504) 41.655 14.095 ( 1.008 -0.502 -1.762) 2.091 15.023 ( 10.891 -1.584 2.718) 11.336 16.240 ( -7.349 1.855 0.501) 7.596 16.471 ( -17.570 -9.719 -6.212) 21.018 ======================= Grid point 99 (44/185) ======================= q-point: ( 0.00 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.626 ( 11.249 22.776 -3.222) 25.606 0.815 ( -5.756 15.977 4.532) 17.576 1.359 ( 1.373 10.574 1.414) 10.756 1.473 ( -3.883 2.004 13.128) 13.836 1.614 ( 2.855 12.073 16.110) 20.333 1.823 ( 5.894 5.364 5.671) 9.781 1.957 ( 3.548 3.401 0.039) 4.915 2.107 ( 10.286 -4.271 7.623) 13.496 2.343 ( -0.338 -10.404 -0.544) 10.424 2.749 ( -3.797 -6.344 -3.270) 8.084 3.058 ( -9.212 -7.871 -3.203) 12.532 3.147 ( 5.412 8.723 0.686) 10.289 3.351 ( 7.194 -5.703 8.321) 12.390 3.564 ( 3.634 1.272 -6.207) 7.304 3.661 ( 0.009 10.248 -6.783) 12.290 3.782 ( 0.328 0.474 -5.339) 5.370 3.934 ( 0.994 -2.283 -0.276) 2.505 4.080 ( 0.508 -4.728 -0.373) 4.769 4.332 ( -1.089 -3.390 7.853) 8.623 4.589 ( -1.827 -11.724 -1.743) 11.993 4.821 ( -0.958 3.222 -3.269) 4.689 5.138 ( -1.875 -3.966 -7.426) 8.624 5.437 ( -4.187 3.054 -1.530) 5.404 5.518 ( -0.711 -0.431 -3.238) 3.343 6.135 ( 1.938 6.998 1.296) 7.376 6.432 ( 4.109 0.308 -0.965) 4.232 6.450 ( -5.351 2.729 0.526) 6.030 6.565 ( 2.630 -2.954 4.082) 5.684 6.839 ( 4.496 0.624 -3.289) 5.605 7.168 ( -4.613 -7.616 2.714) 9.309 7.824 ( 4.732 6.580 2.638) 8.523 7.878 ( -1.996 5.876 3.252) 7.006 9.276 ( 0.300 2.619 4.252) 5.002 9.653 ( -6.829 -6.287 7.859) 12.162 10.395 ( -0.556 1.924 0.224) 2.015 10.690 ( -1.392 -3.436 -2.511) 4.478 12.930 ( -9.222 16.180 -21.252) 28.258 13.671 ( 3.088 -7.412 -5.828) 9.922 14.396 ( 6.020 8.436 15.210) 18.405 15.085 ( -2.024 -2.518 1.622) 3.615 16.206 ( 0.138 1.213 -0.119) 1.227 16.244 ( 1.672 0.256 -0.218) 1.706 ======================= Grid point 100 (45/185) ======================= q-point: ( 0.11 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.782 ( 9.085 16.807 8.576) 20.942 1.006 ( 16.034 12.032 7.035) 21.245 1.416 ( 4.339 5.340 -0.339) 6.889 1.647 ( 9.951 -3.187 13.118) 16.771 1.800 ( 3.196 3.894 11.267) 12.342 2.047 ( 6.954 7.089 5.348) 11.279 2.124 ( 11.166 4.779 6.382) 13.720 2.271 ( 0.229 -13.184 -2.987) 13.520 2.423 ( 8.758 -2.039 11.165) 14.336 2.638 ( -3.523 3.626 -1.388) 5.242 2.894 ( -6.521 -3.868 -0.810) 7.625 3.240 ( 2.509 3.055 1.155) 4.118 3.490 ( -1.404 4.525 -10.440) 11.465 3.538 ( 3.334 0.468 3.963) 5.200 3.617 ( -0.232 2.419 0.239) 2.442 3.734 ( 0.929 -1.280 -2.246) 2.747 3.967 ( 2.464 -2.316 -0.754) 3.465 4.113 ( 4.395 -7.390 -2.120) 8.855 4.379 ( -0.830 -7.854 4.680) 9.180 4.555 ( -0.149 -10.900 -2.954) 11.294 4.762 ( -1.493 4.728 -4.430) 6.649 5.009 ( -5.261 -1.104 -5.576) 7.745 5.285 ( -9.174 4.174 -5.034) 11.266 5.448 ( -2.112 -0.190 -5.402) 5.803 6.199 ( 1.232 4.435 1.588) 4.870 6.372 ( -3.264 4.689 1.849) 6.005 6.467 ( 2.080 -0.875 -2.335) 3.246 6.636 ( 1.509 -4.964 2.468) 5.745 6.880 ( 2.734 -0.117 -1.376) 3.063 7.092 ( -5.533 -6.941 0.562) 8.894 7.761 ( -6.489 8.118 -1.388) 10.485 8.011 ( 3.467 -0.747 10.242) 10.839 9.349 ( 4.032 4.064 3.352) 6.634 9.722 ( 5.996 -2.320 7.387) 9.792 10.401 ( 1.419 1.393 -0.964) 2.210 10.674 ( 2.761 -2.650 -3.311) 5.060 12.617 ( -7.975 16.201 -11.925) 21.640 13.587 ( -0.888 -11.851 -14.171) 18.495 14.516 ( -7.185 6.780 15.932) 18.746 14.946 ( -13.514 0.173 0.337) 13.519 16.267 ( 6.213 1.223 -0.222) 6.336 16.396 ( 13.294 -3.307 -0.735) 13.719 ======================= Grid point 101 (46/185) ======================= q-point: ( 0.22 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.095 ( 14.978 10.361 9.447) 20.517 1.349 ( 10.905 7.251 12.100) 17.830 1.541 ( 10.781 2.792 1.242) 11.206 1.911 ( -0.916 0.245 7.207) 7.269 1.953 ( 9.504 -2.794 7.023) 12.143 2.116 ( 1.435 -1.552 -3.114) 3.764 2.249 ( -1.470 -4.247 -0.350) 4.507 2.297 ( 5.864 1.841 1.978) 6.456 2.583 ( 2.792 -2.746 0.088) 3.917 2.717 ( 8.453 5.465 8.742) 13.332 2.901 ( 4.860 4.311 4.591) 7.954 3.225 ( -3.616 0.596 -2.832) 4.632 3.335 ( -4.631 6.225 -5.495) 9.507 3.554 ( -0.212 6.694 -1.613) 6.889 3.604 ( -1.297 -6.910 -0.217) 7.034 3.859 ( 8.294 -1.214 4.836) 9.678 3.984 ( -0.238 -2.699 0.386) 2.737 4.165 ( 3.819 -6.769 -3.822) 8.660 4.405 ( 2.543 -8.649 -0.673) 9.040 4.486 ( -4.232 -9.967 -5.309) 12.059 4.689 ( -2.574 3.533 -4.524) 6.291 4.898 ( -4.516 0.492 1.441) 4.766 5.074 ( -8.383 6.516 -4.761) 11.636 5.359 ( -1.973 -0.760 -5.847) 6.217 6.146 ( -6.296 5.563 -0.121) 8.402 6.400 ( 2.082 1.136 1.234) 2.673 6.482 ( 2.103 -1.900 -0.628) 2.902 6.650 ( -1.899 -5.631 0.780) 5.994 6.905 ( 0.068 -0.410 1.541) 1.596 7.013 ( -1.748 -5.098 -2.403) 5.901 7.620 ( -7.181 9.509 -2.720) 12.223 8.139 ( -0.480 -2.473 11.392) 11.668 9.468 ( 7.344 6.031 0.173) 9.504 9.943 ( 10.501 -1.977 6.855) 12.695 10.415 ( 2.075 0.920 -2.874) 3.662 10.725 ( 5.271 -2.358 -0.807) 5.830 12.456 ( -3.090 8.294 -2.148) 9.107 13.396 ( -4.422 -16.014 -16.422) 23.360 14.502 ( -9.301 6.075 12.963) 17.072 14.689 ( -14.511 3.889 -0.489) 15.031 16.385 ( 7.098 1.148 -0.370) 7.200 16.611 ( 11.914 -4.692 -1.422) 12.883 ======================= Grid point 102 (47/185) ======================= q-point: ( 0.33 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.407 ( 12.895 7.854 4.617) 15.789 1.614 ( 8.385 4.906 12.895) 16.145 1.714 ( 2.526 1.750 3.180) 4.422 1.895 ( -7.323 -2.902 3.437) 8.594 2.002 ( -2.292 8.203 -6.584) 10.766 2.133 ( 3.769 -6.150 -3.694) 8.104 2.185 ( 0.431 -1.157 -4.257) 4.432 2.389 ( 0.699 -0.368 4.697) 4.763 2.755 ( 13.856 1.785 -3.137) 14.318 2.903 ( 2.972 3.194 7.110) 8.342 2.953 ( -0.648 -0.271 -0.140) 0.716 3.141 ( 2.595 0.397 -6.685) 7.182 3.279 ( -1.517 3.721 -0.990) 4.138 3.551 ( -2.182 -11.798 1.554) 12.099 3.594 ( 3.925 8.144 0.627) 9.062 3.947 ( -3.717 0.902 0.669) 3.883 4.043 ( 5.441 -1.600 5.162) 7.669 4.158 ( -2.418 -6.621 -1.979) 7.321 4.315 ( -3.155 0.553 -7.777) 8.411 4.482 ( 4.803 -4.086 -1.515) 6.485 4.609 ( -2.204 -3.008 -1.470) 4.009 4.836 ( -4.213 -2.569 -0.964) 5.028 4.975 ( -2.255 6.708 3.881) 8.071 5.282 ( -1.096 -1.162 -4.610) 4.879 6.036 ( -5.357 5.638 -0.303) 7.783 6.417 ( 0.900 -1.086 -1.866) 2.339 6.527 ( 0.094 -1.536 3.134) 3.491 6.596 ( -3.074 -8.220 -0.248) 8.779 6.915 ( -0.143 -0.030 0.227) 0.269 6.998 ( 1.825 -3.148 -1.583) 3.968 7.484 ( -5.147 11.065 -2.592) 12.476 8.202 ( -3.193 -2.358 9.030) 9.864 9.582 ( 6.519 7.128 -2.581) 9.999 10.164 ( 7.799 -2.861 4.619) 9.505 10.422 ( 2.448 1.960 -3.328) 4.572 10.829 ( 4.724 -2.470 4.029) 6.682 12.457 ( 1.299 -1.100 3.519) 3.909 13.167 ( -4.885 -18.067 -12.355) 22.426 14.397 ( -10.567 6.953 -0.399) 12.656 14.515 ( -7.429 5.209 6.151) 10.962 16.490 ( 5.140 1.088 -0.029) 5.254 16.769 ( 7.813 -4.616 -1.373) 9.178 ======================= Grid point 103 (48/185) ======================= q-point: (-0.56 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.619 ( 4.371 6.929 -1.645) 8.356 1.662 ( -5.740 -0.002 2.115) 6.117 1.745 ( -6.789 3.236 -0.436) 7.533 1.812 ( -9.659 5.137 -3.660) 11.536 1.899 ( 8.719 2.729 6.944) 11.476 2.098 ( 1.889 -5.927 -6.617) 9.082 2.237 ( 2.557 3.954 -7.365) 8.742 2.387 ( -1.859 1.543 -1.441) 2.814 2.741 ( 0.349 0.719 -7.996) 8.036 2.945 ( -5.369 -2.685 -1.467) 6.180 3.076 ( 3.660 0.042 -0.104) 3.661 3.192 ( 11.602 1.308 4.971) 12.689 3.239 ( -0.366 -0.465 -4.883) 4.919 3.511 ( 0.513 -8.973 -3.277) 9.566 3.686 ( -3.776 -3.175 2.333) 5.457 3.854 ( -2.561 5.211 -0.531) 5.830 4.051 ( -4.345 3.592 -1.298) 5.784 4.150 ( 2.239 1.430 4.695) 5.394 4.317 ( 4.174 0.656 1.029) 4.349 4.539 ( 3.506 -0.521 -2.272) 4.210 4.600 ( 0.665 -4.360 2.054) 4.865 4.768 ( -2.440 -3.509 0.399) 4.293 5.009 ( 1.146 1.944 3.737) 4.365 5.248 ( 0.181 -1.500 -0.600) 1.626 5.978 ( -1.209 4.854 0.785) 5.064 6.411 ( 0.783 -2.064 -2.472) 3.314 6.495 ( -3.917 -0.370 1.831) 4.340 6.602 ( 0.928 -9.448 1.904) 9.683 6.891 ( -0.882 1.567 -3.558) 3.987 7.028 ( 1.815 -3.655 0.169) 4.084 7.419 ( -0.447 12.272 -0.240) 12.282 8.195 ( -5.274 -1.479 5.352) 7.657 9.631 ( 2.788 7.038 -4.504) 8.809 10.256 ( 2.230 -5.427 -3.478) 6.821 10.460 ( 1.521 3.594 3.878) 5.502 10.946 ( 1.806 -2.823 8.034) 8.705 12.487 ( -1.980 -5.004 0.312) 5.390 13.107 ( 6.365 -16.683 1.555) 17.924 14.208 ( -6.144 9.365 -7.711) 13.598 14.469 ( -4.723 3.407 4.661) 7.459 16.555 ( 2.003 1.227 0.618) 2.429 16.853 ( 3.220 -4.465 -1.152) 5.624 ======================= Grid point 104 (49/185) ======================= q-point: (-0.44 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.378 ( -12.691 4.655 -7.572) 15.494 1.513 ( -15.242 8.543 -3.079) 17.742 1.676 ( -4.119 3.268 -7.777) 9.387 1.750 ( -0.293 -6.271 1.810) 6.533 2.032 ( 1.313 3.007 -2.656) 4.222 2.109 ( 5.091 -2.103 -0.947) 5.589 2.172 ( 3.277 6.825 -7.683) 10.787 2.317 ( -4.458 -2.692 -4.351) 6.786 2.672 ( -4.897 2.492 -8.329) 9.978 2.781 ( -1.981 -6.650 -4.128) 8.074 3.130 ( 0.876 2.185 -9.196) 9.492 3.194 ( -0.523 0.584 8.235) 8.273 3.364 ( -6.527 -0.029 0.943) 6.594 3.514 ( 5.713 -1.168 2.526) 6.354 3.541 ( -3.120 -2.720 -3.328) 5.311 3.858 ( -1.288 0.760 -0.984) 1.790 4.011 ( 1.387 6.622 -1.737) 6.985 4.213 ( 0.771 -4.186 1.173) 4.416 4.430 ( 5.122 1.781 4.759) 7.215 4.505 ( -1.896 -1.483 -5.034) 5.580 4.677 ( 1.554 -1.638 5.482) 5.929 4.799 ( 3.290 -2.881 6.958) 8.219 5.083 ( 6.082 0.791 -0.629) 6.165 5.275 ( 0.546 -2.315 4.514) 5.102 6.011 ( 3.144 3.668 2.142) 5.285 6.400 ( 0.783 -2.684 -2.467) 3.729 6.460 ( -2.205 0.919 0.849) 2.535 6.627 ( -0.103 -7.541 1.848) 7.765 6.828 ( -1.480 2.975 -4.806) 5.843 7.058 ( 1.834 -4.643 0.142) 4.994 7.460 ( 3.392 12.203 2.447) 12.900 8.123 ( -6.637 0.192 1.936) 6.916 9.595 ( -1.612 6.091 -5.281) 8.222 10.215 ( -1.225 -7.128 -5.911) 9.341 10.507 ( -2.853 2.033 7.645) 8.409 11.016 ( -3.218 -4.497 8.542) 10.176 12.449 ( -0.252 2.998 1.781) 3.497 13.370 ( 14.248 -14.888 10.050) 22.928 14.050 ( -1.668 9.600 -11.484) 15.060 14.437 ( -1.215 1.852 0.247) 2.229 16.567 ( -1.657 1.570 1.163) 2.562 16.857 ( -1.590 -4.539 -1.116) 4.937 ======================= Grid point 105 (50/185) ======================= q-point: (-0.33 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.103 ( -12.273 6.094 -6.147) 15.018 1.206 ( -17.594 10.423 -1.531) 20.507 1.462 ( -5.342 0.701 -11.010) 12.258 1.746 ( -2.305 -4.420 -1.535) 5.216 1.937 ( -6.141 -1.504 -7.666) 9.937 2.107 ( -3.650 2.409 -5.641) 7.138 2.172 ( 3.487 0.758 -1.979) 4.080 2.279 ( 0.677 -2.538 -1.093) 2.845 2.461 ( -7.009 -0.723 -10.596) 12.725 2.730 ( -5.942 0.016 3.712) 7.006 3.075 ( -4.897 1.477 -1.370) 5.295 3.202 ( 0.869 8.683 -4.632) 9.880 3.232 ( 0.569 0.134 0.051) 0.586 3.502 ( -0.132 -5.017 -2.336) 5.536 3.683 ( 4.945 -3.109 4.110) 7.142 3.780 ( -3.177 0.927 -1.297) 3.555 4.035 ( 0.992 5.398 -1.797) 5.775 4.184 ( -2.577 -4.928 -2.587) 6.133 4.404 ( -1.291 3.269 -6.540) 7.424 4.574 ( 3.175 -7.503 6.632) 10.505 4.749 ( 1.600 0.543 5.275) 5.539 4.967 ( 6.622 -2.942 7.448) 10.391 5.205 ( 9.358 1.348 -2.461) 9.770 5.342 ( 0.824 -2.423 7.454) 7.881 6.110 ( 5.221 2.728 2.870) 6.553 6.376 ( -3.199 1.260 -1.569) 3.779 6.430 ( 0.793 -0.742 -2.024) 2.297 6.636 ( -0.466 -5.101 0.628) 5.160 6.765 ( -0.243 3.697 -4.761) 6.032 7.103 ( 2.422 -5.544 1.634) 6.267 7.555 ( 4.034 11.989 2.932) 12.985 8.015 ( -6.422 2.591 0.124) 6.926 9.489 ( -4.884 4.964 -4.553) 8.320 10.114 ( -5.464 -10.229 -3.338) 12.068 10.502 ( -5.762 0.536 7.754) 9.676 10.983 ( -7.803 -6.440 5.530) 11.530 12.577 ( 8.861 15.535 11.027) 21.011 13.631 ( 6.573 -3.209 -2.412) 7.702 13.984 ( 4.249 1.872 -3.611) 5.882 14.465 ( 7.561 -0.526 -2.618) 8.018 16.519 ( -5.305 1.915 1.307) 5.789 16.776 ( -6.526 -5.081 -1.502) 8.406 ======================= Grid point 106 (51/185) ======================= q-point: (-0.22 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.803 ( -13.696 10.912 -9.140) 19.753 0.952 ( -12.305 12.794 6.530) 18.914 1.381 ( 2.134 -4.147 -1.812) 5.003 1.610 ( -8.674 1.873 -4.223) 9.827 1.772 ( -6.232 2.562 -1.351) 6.872 1.917 ( -14.995 13.409 -5.325) 20.809 2.167 ( -4.704 -7.627 -6.583) 11.119 2.222 ( -3.651 -5.786 -2.779) 7.385 2.274 ( -1.762 -3.800 -3.827) 5.674 2.696 ( -1.741 3.713 3.328) 5.281 3.011 ( 0.332 -1.946 4.513) 4.926 3.187 ( -1.540 4.307 -2.009) 4.996 3.334 ( 12.598 6.110 -5.690) 15.114 3.435 ( -4.875 -5.703 -5.360) 9.220 3.680 ( 1.728 -4.775 -3.535) 6.187 3.850 ( 1.523 1.197 7.976) 8.207 3.961 ( -3.831 0.278 -7.140) 8.107 4.133 ( -2.011 0.071 0.358) 2.044 4.337 ( -1.227 3.582 -3.494) 5.152 4.652 ( -0.519 -12.816 4.576) 13.618 4.819 ( 1.815 2.755 2.554) 4.172 5.124 ( 6.012 -4.736 1.665) 7.832 5.341 ( 8.119 1.579 -1.279) 8.369 5.438 ( 2.115 -1.328 6.931) 7.367 6.220 ( 1.806 3.679 3.140) 5.162 6.277 ( -2.412 4.437 -2.949) 5.848 6.450 ( 2.754 -1.580 -1.564) 3.539 6.602 ( -3.066 -3.061 -1.145) 4.481 6.753 ( 3.285 3.593 -3.619) 6.066 7.162 ( 1.372 -6.658 3.208) 7.517 7.634 ( 3.053 12.637 0.833) 13.027 7.930 ( -3.706 4.878 1.369) 6.277 9.361 ( -5.732 3.983 -2.205) 7.320 9.965 ( -10.799 -13.607 1.477) 17.434 10.462 ( -5.748 0.440 5.656) 8.076 10.875 ( -8.176 -6.017 2.302) 10.409 12.949 ( 16.729 19.797 19.738) 32.579 13.554 ( 0.384 9.463 -19.817) 21.964 14.056 ( 3.030 -1.543 0.287) 3.412 14.683 ( 16.711 -4.302 1.368) 17.310 16.412 ( -8.005 2.032 0.980) 8.317 16.603 ( -11.453 -5.481 -2.305) 12.904 ======================= Grid point 107 (52/185) ======================= q-point: (-0.11 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.564 ( -1.157 20.362 -8.982) 22.285 0.898 ( -6.435 12.864 10.240) 17.657 1.388 ( -3.795 0.382 0.683) 3.875 1.475 ( -6.366 6.959 7.729) 12.194 1.587 ( -15.353 20.740 3.594) 26.054 1.754 ( 2.187 1.302 2.068) 3.280 1.969 ( -5.857 -1.489 -2.991) 6.743 2.065 ( -6.976 -0.623 -5.062) 8.642 2.317 ( 3.799 -11.185 -0.450) 11.821 2.749 ( 3.970 -6.932 1.297) 8.094 3.104 ( 2.471 8.964 -2.110) 9.535 3.171 ( 2.174 -4.587 7.843) 9.343 3.258 ( -8.350 -7.249 -5.737) 12.458 3.492 ( 10.780 6.355 -5.938) 13.851 3.696 ( 1.867 -0.533 -3.330) 3.854 3.837 ( -0.596 0.311 -8.629) 8.656 3.918 ( 0.338 0.426 3.172) 3.219 4.099 ( -2.671 -0.829 1.129) 3.016 4.304 ( -1.801 0.684 2.802) 3.400 4.641 ( -3.308 -13.198 1.334) 13.672 4.847 ( 0.364 2.944 -0.728) 3.054 5.188 ( 2.880 -5.483 -4.725) 7.790 5.446 ( 3.240 2.259 0.978) 4.069 5.516 ( 1.745 -1.004 1.640) 2.597 6.150 ( -3.815 8.207 -0.863) 9.091 6.347 ( 5.217 1.748 0.968) 5.587 6.492 ( 2.359 -1.231 1.187) 2.914 6.532 ( -3.892 -0.383 -0.362) 3.928 6.791 ( 4.635 2.129 -3.687) 6.294 7.194 ( -1.745 -7.698 3.717) 8.725 7.699 ( 5.247 11.940 0.084) 13.042 7.905 ( -2.405 6.045 2.849) 7.102 9.274 ( -3.401 3.105 1.361) 4.802 9.781 ( -13.799 -12.878 6.129) 19.845 10.418 ( -3.504 1.393 2.520) 4.535 10.763 ( -5.477 -4.601 -0.317) 7.160 13.251 ( -3.242 8.166 -15.886) 18.154 13.502 ( 14.330 11.178 7.483) 19.654 14.137 ( 8.592 6.488 1.954) 10.943 14.970 ( 11.946 -4.324 2.891) 13.029 16.278 ( -7.423 1.899 0.307) 7.668 16.363 ( -12.111 -2.797 -2.075) 12.602 ======================= Grid point 108 (53/185) ======================= q-point: ( 0.00 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.034 ( 5.732 18.307 1.330) 19.229 1.061 ( 1.884 10.890 2.116) 11.253 1.303 ( -3.238 -6.502 9.995) 12.356 1.655 ( 5.968 -0.991 -1.818) 6.317 1.751 ( -2.012 11.375 0.636) 11.569 1.885 ( 4.161 -1.272 5.313) 6.868 1.988 ( 3.411 -0.391 2.089) 4.018 2.204 ( 0.380 -5.871 4.478) 7.393 2.247 ( 3.421 21.012 13.071) 24.981 2.647 ( 1.025 -3.333 0.765) 3.570 2.857 ( -6.289 -11.555 -0.838) 13.182 3.133 ( 4.076 -15.880 8.823) 18.618 3.321 ( 0.041 9.843 -0.395) 9.851 3.619 ( 7.284 2.980 -7.819) 11.094 3.756 ( -0.675 -2.252 -6.682) 7.083 3.855 ( 6.651 2.318 -2.817) 7.586 3.938 ( -1.507 7.469 -5.008) 9.118 4.050 ( -4.645 1.464 0.771) 4.931 4.229 ( -5.106 -7.871 5.071) 10.664 4.352 ( 0.800 -11.059 -3.551) 11.642 4.890 ( 0.058 3.757 -2.542) 4.536 5.057 ( -0.340 -4.723 -5.221) 7.049 5.485 ( -3.248 1.868 -1.861) 4.184 5.511 ( -0.954 -0.192 -2.339) 2.533 6.267 ( 0.725 6.502 -0.651) 6.575 6.421 ( 2.090 -1.555 -1.776) 3.153 6.495 ( -2.009 1.878 2.205) 3.525 6.534 ( 1.985 -0.875 2.386) 3.224 6.865 ( 2.330 2.357 -2.777) 4.324 7.036 ( -3.227 -6.338 1.343) 7.237 7.929 ( 1.166 4.443 3.306) 5.660 7.965 ( -3.300 2.922 2.786) 5.215 9.344 ( 0.649 4.498 4.161) 6.162 9.545 ( -1.304 -5.563 5.622) 8.016 10.447 ( -0.298 3.565 -0.938) 3.699 10.613 ( -0.673 -4.531 -2.223) 5.092 13.183 ( -5.957 11.375 -18.381) 22.422 13.531 ( -0.483 -7.743 -11.407) 13.795 14.604 ( 3.592 12.628 11.383) 17.376 15.002 ( -0.502 -6.566 3.902) 7.654 16.226 ( -0.140 0.889 -0.501) 1.030 16.246 ( 0.832 -0.102 -0.329) 0.900 ======================= Grid point 109 (54/185) ======================= q-point: ( 0.11 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.110 ( 5.390 14.818 7.613) 17.509 1.256 ( 13.043 13.788 2.240) 19.112 1.445 ( 5.917 -3.388 9.856) 11.984 1.707 ( 2.673 11.356 2.448) 11.920 1.822 ( 8.800 -5.805 2.611) 10.861 1.977 ( -3.950 -4.990 6.364) 9.000 2.094 ( 6.204 -2.265 1.415) 6.754 2.250 ( 2.455 -6.665 2.424) 7.505 2.492 ( 6.720 14.690 12.023) 20.137 2.694 ( 2.779 2.639 4.526) 5.931 2.817 ( 1.364 -3.762 2.924) 4.956 3.274 ( 3.232 -14.378 2.223) 14.903 3.327 ( -0.391 4.496 3.500) 5.711 3.642 ( 1.771 8.346 -7.665) 11.470 3.667 ( -2.918 -5.447 -1.019) 6.263 3.838 ( -2.641 9.454 -4.022) 10.608 3.947 ( 6.968 0.547 -3.057) 7.629 4.009 ( 0.388 -2.511 -1.945) 3.199 4.202 ( -1.102 -9.956 0.367) 10.023 4.339 ( 1.852 -10.590 -5.280) 11.977 4.850 ( -1.149 4.150 -4.496) 6.226 4.977 ( -3.374 -2.434 -4.138) 5.868 5.359 ( -7.336 3.444 -4.108) 9.086 5.436 ( -3.720 -0.958 -3.884) 5.463 6.291 ( 1.149 4.730 0.170) 4.870 6.428 ( 1.341 -2.602 -3.123) 4.281 6.461 ( -4.458 4.331 2.880) 6.850 6.580 ( -0.048 -1.864 3.432) 3.906 6.882 ( 2.357 0.410 -2.210) 3.257 6.977 ( -3.427 -5.088 -0.693) 6.174 7.893 ( -5.196 5.688 0.524) 7.722 8.004 ( 0.548 -0.635 6.689) 6.742 9.442 ( 5.566 5.609 4.622) 9.154 9.656 ( 6.991 -4.656 6.723) 10.758 10.444 ( 1.261 3.262 -1.628) 3.858 10.606 ( 2.701 -4.302 -2.853) 5.826 12.894 ( -8.042 13.444 -16.449) 22.715 13.361 ( -3.800 -12.013 -16.853) 21.042 14.667 ( -7.430 8.605 11.801) 16.386 14.917 ( -11.601 -3.373 3.439) 12.562 16.289 ( 6.854 1.237 -0.614) 6.992 16.348 ( 10.053 -2.009 -0.504) 10.264 ======================= Grid point 110 (55/185) ======================= q-point: ( 0.22 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.343 ( 11.886 14.055 6.838) 19.636 1.508 ( 6.782 9.493 9.203) 14.859 1.602 ( 9.069 1.717 3.426) 9.846 1.879 ( 2.394 -5.718 5.554) 8.323 1.943 ( -1.204 2.007 5.702) 6.164 2.006 ( 10.114 -2.249 4.281) 11.210 2.171 ( 1.489 -3.661 0.350) 3.968 2.300 ( 4.176 -9.194 -2.603) 10.429 2.618 ( 2.962 10.338 1.796) 10.903 2.846 ( 6.136 7.709 7.887) 12.621 2.953 ( 6.548 -0.803 6.640) 9.360 3.216 ( -6.411 -4.972 -6.518) 10.406 3.342 ( -3.269 -0.312 4.002) 5.177 3.544 ( -3.114 1.981 -4.530) 5.843 3.656 ( -2.701 -1.133 2.547) 3.882 3.851 ( 6.612 5.076 -0.466) 8.349 4.020 ( 2.179 -8.499 -2.816) 9.214 4.025 ( 5.635 5.765 -3.909) 8.959 4.219 ( 3.441 -10.584 1.860) 11.284 4.311 ( 2.665 -8.004 -8.362) 11.878 4.754 ( -3.855 3.644 -6.928) 8.725 4.884 ( -4.489 -2.106 -1.478) 5.174 5.196 ( -6.748 5.820 -2.774) 9.333 5.332 ( -3.753 -1.931 -3.927) 5.765 6.261 ( -5.228 5.697 0.338) 7.740 6.411 ( 0.533 -3.761 -3.640) 5.261 6.431 ( -1.174 2.018 1.992) 3.069 6.579 ( -4.075 -3.224 3.518) 6.275 6.899 ( 0.937 -0.171 -0.370) 1.022 6.935 ( 1.074 -2.964 -2.880) 4.269 7.798 ( -5.761 9.109 0.163) 10.780 8.071 ( -0.685 -4.834 7.575) 9.013 9.599 ( 8.060 7.648 2.612) 11.414 9.874 ( 10.241 -5.441 5.903) 13.013 10.458 ( 2.206 3.791 -1.762) 4.727 10.655 ( 5.077 -4.920 -1.291) 7.187 12.634 ( -7.078 10.501 -10.012) 16.143 13.106 ( -6.931 -14.559 -16.860) 23.330 14.612 ( -9.570 5.359 9.408) 14.451 14.726 ( -12.445 0.023 2.496) 12.693 16.414 ( 7.669 2.030 -0.796) 7.973 16.529 ( 10.544 -4.000 -0.820) 11.306 ======================= Grid point 111 (56/185) ======================= q-point: ( 0.33 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.565 ( 8.275 8.038 1.964) 11.702 1.713 ( 4.534 4.553 9.466) 11.441 1.736 ( 3.278 1.820 4.192) 5.624 1.875 ( -4.304 0.378 3.797) 5.752 1.993 ( 2.761 -4.221 -1.909) 5.393 2.145 ( -2.507 -2.297 -1.344) 3.656 2.210 ( 7.219 6.862 0.190) 9.962 2.373 ( 4.904 -1.514 -0.343) 5.144 2.764 ( 12.911 1.081 2.600) 13.214 2.955 ( -7.244 -0.188 -5.085) 8.852 2.980 ( -1.461 4.047 3.950) 5.841 3.119 ( 2.812 -5.196 -1.537) 6.105 3.302 ( -1.011 -1.161 0.967) 1.818 3.441 ( -5.339 4.108 -2.883) 7.328 3.645 ( -0.795 -3.522 0.733) 3.684 3.915 ( -2.103 -4.998 -2.155) 5.835 4.044 ( 5.373 -0.767 0.418) 5.443 4.104 ( 6.593 5.012 -1.269) 8.378 4.304 ( 4.502 -2.048 -4.632) 6.777 4.364 ( 8.051 -7.150 4.585) 11.703 4.612 ( -4.968 3.163 -5.968) 8.385 4.782 ( -5.362 -3.536 -1.760) 6.660 5.097 ( -3.330 5.790 -0.042) 6.680 5.245 ( -2.569 -2.492 -2.687) 4.475 6.156 ( -5.999 6.541 0.241) 8.879 6.379 ( -0.311 -4.874 -3.644) 6.094 6.442 ( -0.240 -1.749 2.318) 2.914 6.523 ( -4.664 -2.699 2.762) 6.055 6.913 ( 1.574 -0.033 -1.889) 2.459 6.946 ( 2.013 -2.111 -1.478) 3.270 7.712 ( -4.421 12.573 0.921) 13.359 8.112 ( -2.265 -7.137 6.661) 10.022 9.737 ( 6.372 9.096 -0.985) 11.149 10.070 ( 7.297 -7.050 1.395) 10.242 10.494 ( 2.915 5.648 0.392) 6.368 10.750 ( 5.116 -5.871 2.221) 8.098 12.488 ( -2.997 4.567 -2.557) 6.031 12.859 ( -5.235 -14.446 -10.389) 18.548 14.504 ( -9.312 4.515 1.833) 10.510 14.576 ( -7.642 1.204 3.562) 8.517 16.525 ( 5.585 2.640 -0.377) 6.188 16.677 ( 7.272 -4.958 -0.775) 8.835 ======================= Grid point 112 (57/185) ======================= q-point: (-0.56 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.660 ( -3.611 0.147 -2.306) 4.287 1.673 ( -2.879 0.157 3.295) 4.379 1.787 ( -4.007 5.004 -3.160) 7.147 1.950 ( 4.606 6.043 1.284) 7.707 1.982 ( 1.707 -5.175 -6.241) 8.285 2.051 ( -5.211 7.930 4.326) 10.428 2.291 ( 5.293 2.300 -5.322) 7.850 2.418 ( -2.151 0.843 -0.826) 2.453 2.760 ( -0.976 1.347 -8.794) 8.950 2.871 ( -7.286 -4.450 -7.491) 11.357 3.067 ( 7.159 -1.322 7.516) 10.464 3.149 ( 4.124 -3.775 2.033) 5.949 3.313 ( -3.076 1.014 -3.736) 4.944 3.385 ( 4.482 1.483 1.243) 4.882 3.606 ( -3.384 -3.766 -0.873) 5.138 3.852 ( -0.254 -5.492 -1.582) 5.721 4.122 ( 2.165 4.274 -1.470) 5.012 4.197 ( 2.902 2.496 0.728) 3.897 4.372 ( 2.820 3.710 2.671) 5.371 4.486 ( -1.372 -3.641 -0.819) 3.977 4.557 ( 6.282 0.098 2.299) 6.690 4.694 ( -2.277 -4.464 -0.155) 5.014 5.070 ( 0.002 3.883 0.262) 3.892 5.202 ( -0.770 -2.982 -0.109) 3.081 6.087 ( -2.086 6.366 0.717) 6.737 6.341 ( -0.233 -6.144 -2.872) 6.787 6.461 ( -0.471 -1.872 2.889) 3.474 6.495 ( -1.515 -2.205 2.921) 3.961 6.907 ( 0.581 0.622 -3.444) 3.547 6.966 ( 1.332 -2.803 -0.931) 3.240 7.675 ( -1.501 14.189 2.456) 14.478 8.114 ( -3.616 -7.210 4.676) 9.323 9.786 ( 2.016 9.106 -4.391) 10.308 10.129 ( 1.686 -7.970 -4.627) 9.369 10.556 ( 1.202 6.572 3.824) 7.698 10.851 ( 1.976 -7.013 5.007) 8.841 12.466 ( 0.693 3.021 1.526) 3.455 12.816 ( 5.523 -13.968 3.401) 15.400 14.357 ( -5.874 6.468 -4.497) 9.827 14.495 ( -4.751 -0.536 1.080) 4.902 16.594 ( 2.354 2.964 0.436) 3.811 16.760 ( 2.934 -5.181 -0.452) 5.971 ======================= Grid point 113 (58/185) ======================= q-point: (-0.44 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.463 ( -10.087 4.434 -7.912) 13.566 1.627 ( -5.798 -2.467 -5.725) 8.514 1.654 ( -5.792 4.294 -1.934) 7.465 1.793 ( -9.631 3.311 -6.421) 12.040 2.019 ( -0.479 1.265 0.804) 1.574 2.102 ( 3.398 0.028 -0.721) 3.474 2.282 ( -8.028 -1.170 -5.837) 9.994 2.308 ( 2.701 3.121 -5.165) 6.611 2.664 ( -4.472 0.973 -6.952) 8.324 2.754 ( 2.683 1.300 -4.068) 5.043 3.116 ( -1.801 -2.491 -4.072) 5.102 3.196 ( 2.411 -1.745 3.162) 4.343 3.314 ( -4.870 -2.528 0.095) 5.488 3.434 ( 4.174 -7.345 -2.218) 8.735 3.598 ( 2.610 8.263 3.996) 9.542 3.883 ( 2.035 -0.637 0.447) 2.179 4.080 ( -3.250 2.758 -2.443) 4.913 4.209 ( -0.715 2.457 0.813) 2.685 4.402 ( -3.016 -3.726 2.720) 5.511 4.458 ( 0.410 -2.760 -2.209) 3.559 4.685 ( 4.700 1.722 3.078) 5.876 4.751 ( 5.766 -2.325 3.957) 7.370 5.113 ( 4.931 2.283 0.325) 5.443 5.219 ( 1.057 -3.196 3.241) 4.673 6.102 ( 2.501 5.773 1.344) 6.433 6.329 ( 1.861 -5.021 -2.460) 5.893 6.471 ( -1.240 0.309 2.153) 2.503 6.518 ( -0.134 -3.687 4.229) 5.612 6.874 ( -0.407 2.069 -3.716) 4.273 6.977 ( 1.081 -3.818 -0.690) 4.027 7.703 ( 1.293 12.998 3.544) 13.534 8.077 ( -4.298 -5.255 2.605) 7.271 9.731 ( -2.603 8.207 -5.782) 10.372 10.064 ( -2.973 -8.637 -6.161) 11.018 10.584 ( -2.542 5.925 4.487) 7.855 10.888 ( -3.151 -8.453 4.675) 10.161 12.575 ( 7.694 9.903 8.329) 15.055 13.079 ( 13.867 -15.404 13.153) 24.548 14.223 ( -2.009 8.287 -9.618) 12.854 14.431 ( -1.224 -2.334 -3.388) 4.293 16.610 ( -1.464 2.993 1.095) 3.508 16.766 ( -1.868 -4.878 -0.271) 5.230 ======================= Grid point 114 (59/185) ======================= q-point: (-0.33 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.222 ( -8.855 6.348 -7.999) 13.517 1.361 ( -12.325 3.035 -8.786) 15.438 1.508 ( -9.463 4.604 -5.771) 12.002 1.681 ( 0.866 -3.721 0.272) 3.830 1.919 ( -6.052 0.919 -8.017) 10.086 2.057 ( -7.802 1.231 -3.012) 8.453 2.153 ( 0.156 -5.143 -2.305) 5.638 2.316 ( 0.458 -3.322 -2.327) 4.082 2.537 ( -5.159 11.830 -6.876) 14.624 2.720 ( -3.380 0.557 0.038) 3.426 3.114 ( -3.349 1.943 -0.441) 3.897 3.188 ( 1.027 -6.692 -2.175) 7.111 3.252 ( 3.455 0.276 -1.204) 3.669 3.422 ( -1.865 -8.269 -4.919) 9.801 3.711 ( 2.326 10.671 5.280) 12.131 3.853 ( -2.569 5.798 -0.704) 6.381 4.024 ( -1.531 -4.538 -4.307) 6.441 4.224 ( 0.700 5.506 2.105) 5.936 4.352 ( -5.812 -11.255 6.697) 14.329 4.450 ( 1.264 -1.136 -4.604) 4.908 4.778 ( 3.808 1.940 2.006) 4.721 4.900 ( 6.827 -3.979 2.706) 8.353 5.233 ( 8.085 1.577 0.025) 8.237 5.297 ( 2.953 -2.092 6.162) 7.147 6.185 ( 5.170 4.959 1.554) 7.331 6.355 ( 3.402 -2.851 -2.098) 4.910 6.448 ( -3.041 1.955 0.614) 3.667 6.551 ( -0.662 -3.847 3.352) 5.146 6.837 ( 0.164 3.780 -3.105) 4.894 6.999 ( 1.380 -5.207 0.914) 5.464 7.771 ( 2.419 10.513 3.510) 11.345 8.023 ( -3.921 -2.029 1.545) 4.677 9.604 ( -5.950 7.117 -4.855) 10.470 9.925 ( -7.327 -9.614 -4.183) 12.792 10.559 ( -4.279 5.096 3.653) 7.591 10.838 ( -6.117 -8.390 2.934) 10.790 12.877 ( 13.526 15.986 15.233) 25.895 13.446 ( 11.660 -13.371 13.000) 21.994 14.124 ( 3.003 9.691 -12.261) 15.914 14.415 ( 6.019 -4.666 -6.557) 10.050 16.562 ( -5.404 2.647 1.200) 6.136 16.688 ( -6.768 -4.144 -0.526) 7.954 ======================= Grid point 115 (60/185) ======================= q-point: (-0.22 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.009 ( -6.586 9.296 -7.381) 13.575 1.127 ( -8.438 3.782 -0.399) 9.255 1.357 ( -3.770 3.800 -0.469) 5.373 1.706 ( 0.065 3.596 -1.191) 3.789 1.762 ( -2.438 -3.038 -6.177) 7.303 1.922 ( -3.869 -3.721 -1.479) 5.568 2.105 ( -5.736 -3.369 -2.944) 7.275 2.208 ( -5.320 -3.782 -5.524) 8.551 2.370 ( -9.226 18.761 -0.967) 20.929 2.693 ( -1.922 -1.336 1.953) 3.048 2.973 ( -7.623 -1.999 3.079) 8.461 3.227 ( -3.347 -9.197 -2.465) 10.092 3.308 ( -0.198 0.334 -2.182) 2.216 3.379 ( 11.843 -1.590 -6.623) 13.662 3.738 ( 1.749 11.087 -2.192) 11.436 3.871 ( 1.074 1.717 2.601) 3.297 3.934 ( -2.406 -2.053 -4.643) 5.618 4.221 ( -4.096 6.945 2.696) 8.502 4.333 ( -4.319 -11.918 5.711) 13.904 4.418 ( -0.021 -3.995 -3.815) 5.523 4.853 ( 3.019 1.670 1.039) 3.603 5.019 ( 5.711 -6.132 -0.870) 8.424 5.371 ( 7.298 1.594 0.524) 7.488 5.419 ( 4.322 -0.834 5.073) 6.716 6.293 ( 5.246 3.994 1.616) 6.788 6.370 ( -3.568 5.143 -0.455) 6.276 6.414 ( 3.599 -2.186 -2.368) 4.831 6.544 ( -2.361 -3.453 1.176) 4.345 6.831 ( 1.821 4.540 -2.120) 5.331 7.035 ( 0.730 -6.439 2.413) 6.915 7.837 ( 1.792 8.616 2.328) 9.103 7.985 ( -2.312 0.776 2.424) 3.439 9.456 ( -6.838 6.022 -2.207) 9.375 9.749 ( -10.017 -9.712 -0.571) 13.964 10.514 ( -3.834 4.482 2.076) 6.253 10.750 ( -5.954 -7.020 1.225) 9.286 13.255 ( 11.589 13.540 14.309) 22.856 13.615 ( 1.553 -3.621 -1.888) 4.369 14.143 ( 10.097 10.561 -6.516) 15.999 14.565 ( 15.931 -8.286 -1.891) 18.057 16.450 ( -8.377 1.907 0.759) 8.625 16.529 ( -10.574 -2.776 -1.055) 10.983 ======================= Grid point 116 (61/185) ======================= q-point: (-0.11 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.924 ( 4.105 15.882 -4.806) 17.093 1.065 ( -4.139 4.559 7.692) 9.853 1.324 ( -5.082 -1.188 6.166) 8.078 1.670 ( -1.942 3.401 -4.305) 5.820 1.707 ( 2.407 0.486 -2.649) 3.612 1.880 ( -1.715 3.680 0.875) 4.153 1.952 ( -4.169 -1.944 -0.964) 4.700 2.162 ( 1.651 -5.836 1.361) 6.216 2.220 ( -9.327 22.460 4.359) 24.707 2.649 ( -2.211 -2.363 -0.010) 3.236 2.972 ( -2.019 -11.622 6.093) 13.277 3.059 ( -6.825 -13.425 -1.388) 15.124 3.322 ( 0.916 9.045 -0.846) 9.130 3.529 ( 11.362 -0.302 -7.217) 13.464 3.775 ( 5.726 5.560 -4.135) 8.988 3.828 ( -1.133 -0.277 -5.811) 5.927 3.942 ( 2.692 2.660 -0.571) 3.827 4.146 ( -7.336 4.240 3.088) 9.018 4.286 ( -6.209 -5.783 4.675) 9.688 4.383 ( -0.586 -9.893 -2.905) 10.328 4.894 ( 1.430 2.512 -0.798) 2.999 5.075 ( 3.109 -6.354 -3.705) 7.985 5.480 ( 4.120 1.420 0.490) 4.386 5.509 ( 2.034 -0.052 1.183) 2.353 6.296 ( -2.940 6.848 -1.192) 7.547 6.382 ( 3.594 1.720 0.245) 3.992 6.472 ( 3.712 -0.965 -0.266) 3.844 6.511 ( -1.837 -1.940 0.753) 2.776 6.849 ( 2.264 3.987 -2.173) 5.073 7.056 ( -1.154 -6.799 2.476) 7.328 7.880 ( 1.341 7.311 1.977) 7.692 7.982 ( -1.764 1.921 3.247) 4.165 9.351 ( -4.312 4.982 1.296) 6.715 9.594 ( -8.436 -8.048 3.084) 12.060 10.472 ( -2.240 4.007 0.364) 4.605 10.666 ( -3.855 -5.533 -0.577) 6.768 13.393 ( -0.825 7.109 -9.197) 11.653 13.585 ( 1.524 -1.087 -4.115) 4.521 14.354 ( 14.055 14.954 4.662) 21.045 14.849 ( 13.206 -8.787 3.288) 16.200 16.307 ( -7.714 1.141 0.114) 7.798 16.334 ( -9.375 -0.767 -1.090) 9.469 ======================= Grid point 117 (62/185) ======================= q-point: ( 0.00 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.174 ( -0.558 -4.945 10.596) 11.706 1.174 ( -0.558 4.945 10.596) 11.706 1.418 ( 6.943 -17.239 -5.064) 19.262 1.418 ( 6.943 17.239 -5.064) 19.262 1.919 ( 2.664 -3.585 5.697) 7.239 1.919 ( 2.664 3.585 5.697) 7.239 2.051 ( -1.329 -10.727 0.996) 10.855 2.051 ( -1.329 10.727 0.996) 10.855 2.576 ( 0.979 -9.199 4.054) 10.100 2.576 ( 0.979 9.199 4.054) 10.100 2.817 ( 0.419 -13.553 6.473) 15.025 2.817 ( 0.419 13.553 6.473) 15.025 3.526 ( 2.539 -10.845 -3.382) 11.640 3.526 ( 2.539 10.845 -3.382) 11.640 3.797 ( 1.703 -5.033 -4.005) 6.654 3.797 ( 1.703 5.033 -4.005) 6.654 4.088 ( 0.171 -5.411 -1.057) 5.516 4.088 ( 0.171 5.411 -1.057) 5.516 4.166 ( -3.648 -9.575 -2.665) 10.587 4.166 ( -3.648 9.575 -2.665) 10.587 4.967 ( 0.384 -4.527 -3.048) 5.471 4.967 ( 0.384 4.527 -3.048) 5.471 5.507 ( -1.945 -0.504 -2.187) 2.970 5.507 ( -1.945 0.504 -2.187) 2.970 6.368 ( 0.615 -4.121 -1.723) 4.509 6.368 ( 0.615 4.121 -1.723) 4.509 6.520 ( 0.923 -0.829 2.496) 2.787 6.520 ( 0.923 0.829 2.496) 2.787 6.931 ( -0.773 -4.678 -0.929) 4.832 6.931 ( -0.773 4.678 -0.929) 4.832 7.982 ( -1.706 -1.056 3.053) 3.653 7.982 ( -1.706 1.056 3.053) 3.653 9.440 ( 0.359 -5.491 4.663) 7.213 9.440 ( 0.359 5.491 4.663) 7.213 10.525 ( -0.333 -4.602 -1.756) 4.937 10.525 ( -0.333 4.602 -1.756) 4.937 13.373 ( -3.226 -9.063 -15.429) 18.183 13.373 ( -3.226 9.063 -15.429) 18.183 14.834 ( 1.344 -11.013 7.183) 13.217 14.834 ( 1.344 11.013 7.183) 13.217 16.240 ( 0.178 -0.540 -0.518) 0.769 16.240 ( 0.178 0.540 -0.518) 0.769 ======================= Grid point 119 (63/185) ======================= q-point: ( 0.11 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.305 ( 6.444 -6.842 9.809) 13.585 1.305 ( 6.444 6.842 9.809) 13.585 1.577 ( 10.366 -15.298 1.371) 18.530 1.577 ( 10.366 15.298 1.371) 18.530 1.950 ( -2.861 -8.756 4.055) 10.065 1.950 ( -2.861 8.756 4.055) 10.065 2.074 ( 3.003 -4.802 0.964) 5.745 2.074 ( 3.003 4.802 0.964) 5.745 2.693 ( 3.610 -4.787 9.065) 10.868 2.693 ( 3.610 4.787 9.065) 10.868 2.936 ( 6.464 -17.899 4.186) 19.486 2.936 ( 6.464 17.899 4.186) 19.486 3.502 ( -2.789 -10.689 -0.977) 11.090 3.502 ( -2.789 10.689 -0.977) 11.090 3.805 ( 3.398 -7.440 -4.800) 9.484 3.805 ( 3.398 7.440 -4.800) 9.484 4.015 ( -4.754 -2.748 1.273) 5.636 4.015 ( -4.754 2.748 1.273) 5.636 4.152 ( 4.767 -8.469 -7.690) 12.393 4.152 ( 4.767 8.469 -7.690) 12.393 4.920 ( -1.935 -3.405 -4.174) 5.723 4.920 ( -1.935 3.405 -4.174) 5.723 5.410 ( -5.457 -1.957 -3.426) 6.734 5.410 ( -5.457 1.957 -3.426) 6.734 6.368 ( 0.946 -3.572 -2.284) 4.344 6.368 ( 0.946 3.572 -2.284) 4.344 6.536 ( -2.803 -3.229 4.159) 5.965 6.536 ( -2.803 3.229 4.159) 5.965 6.906 ( -0.021 -2.416 -2.175) 3.251 6.906 ( -0.021 2.416 -2.175) 3.251 7.973 ( -2.677 -2.845 3.296) 5.111 7.973 ( -2.677 2.845 3.296) 5.111 9.553 ( 6.650 -5.981 5.834) 10.679 9.553 ( 6.650 5.981 5.834) 10.679 10.520 ( 1.957 -4.590 -2.331) 5.508 10.520 ( 1.957 4.590 -2.331) 5.508 13.134 ( -6.333 -12.229 -17.842) 22.539 13.134 ( -6.333 12.229 -17.842) 22.539 14.818 ( -9.467 -6.939 7.269) 13.806 14.818 ( -9.467 6.939 7.269) 13.806 16.315 ( 8.054 -1.537 -0.680) 8.228 16.315 ( 8.054 1.537 -0.680) 8.228 ======================= Grid point 121 (64/185) ======================= q-point: ( 0.22 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.550 ( 10.606 -6.883 7.304) 14.602 1.550 ( 10.606 6.883 7.304) 14.602 1.705 ( 0.914 -10.605 5.632) 12.043 1.705 ( 0.914 10.605 5.632) 12.043 2.036 ( 4.953 -4.695 4.012) 7.917 2.036 ( 4.953 4.695 4.012) 7.917 2.114 ( 5.452 -3.440 -0.581) 6.473 2.114 ( 5.452 3.440 -0.581) 6.473 2.820 ( 1.400 -9.424 6.673) 11.632 2.820 ( 1.400 9.424 6.673) 11.632 3.053 ( 3.651 -10.783 -0.523) 11.396 3.053 ( 3.651 10.783 -0.523) 11.396 3.428 ( -4.898 -7.413 1.344) 8.986 3.428 ( -4.898 7.413 1.344) 8.986 3.793 ( -0.464 -10.235 -4.241) 11.088 3.793 ( -0.464 10.235 -4.241) 11.088 4.030 ( 4.199 -8.420 3.010) 9.879 4.030 ( 4.199 8.420 3.010) 9.879 4.165 ( 6.068 -7.715 -7.967) 12.642 4.165 ( 6.068 7.715 -7.967) 12.642 4.825 ( -4.079 -3.744 -4.950) 7.427 4.825 ( -4.079 3.744 -4.950) 7.427 5.283 ( -5.362 -3.467 -2.672) 6.921 5.283 ( -5.362 3.467 -2.672) 6.921 6.342 ( -1.766 -3.376 -2.289) 4.445 6.342 ( -1.766 3.376 -2.289) 4.445 6.502 ( -4.619 -4.678 3.504) 7.450 6.502 ( -4.619 4.678 3.504) 7.450 6.902 ( 1.893 -0.704 -2.166) 2.961 6.902 ( 1.893 0.704 -2.166) 2.961 7.955 ( -3.063 -7.372 3.720) 8.808 7.955 ( -3.063 7.372 3.720) 8.808 9.747 ( 9.183 -7.649 4.495) 12.768 9.747 ( 9.183 7.649 4.495) 12.768 10.551 ( 3.707 -5.675 -1.438) 6.929 10.551 ( 3.707 5.675 -1.438) 6.929 12.851 ( -7.984 -12.502 -14.864) 21.000 12.851 ( -7.984 12.502 -14.864) 21.000 14.695 ( -10.867 -3.162 5.747) 12.694 14.695 ( -10.867 3.162 5.747) 12.694 16.462 ( 8.919 -3.052 -0.857) 9.466 16.462 ( 8.919 3.052 -0.857) 9.466 ======================= Grid point 123 (65/185) ======================= q-point: ( 0.33 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.684 ( 0.785 -4.466 1.730) 4.853 1.684 ( 0.785 4.466 1.730) 4.853 1.838 ( 5.967 -4.628 6.804) 10.165 1.838 ( 5.967 4.628 6.804) 10.165 2.031 ( -0.939 -7.282 -1.123) 7.428 2.031 ( -0.939 7.282 -1.123) 7.428 2.322 ( 9.339 -4.302 1.948) 10.465 2.322 ( 9.339 4.302 1.948) 10.465 2.858 ( 0.232 -8.272 1.084) 8.346 2.858 ( 0.232 8.272 1.084) 8.346 3.035 ( -2.703 -2.791 -2.636) 4.696 3.035 ( -2.703 2.791 -2.636) 4.696 3.392 ( -1.567 -8.535 2.313) 8.981 3.392 ( -1.567 8.535 2.313) 8.981 3.722 ( -1.725 -11.561 -5.452) 12.898 3.722 ( -1.725 11.561 -5.452) 12.898 4.134 ( 5.032 -4.759 -0.792) 6.971 4.134 ( 5.032 4.759 -0.792) 6.971 4.270 ( 9.412 -1.833 2.135) 9.823 4.270 ( 9.412 1.833 2.135) 9.823 4.698 ( -5.293 -5.137 -4.480) 8.630 4.698 ( -5.293 5.137 -4.480) 8.629 5.187 ( -3.379 -3.792 -1.602) 5.326 5.187 ( -3.379 3.792 -1.602) 5.326 6.271 ( -4.029 -5.731 -1.042) 7.082 6.271 ( -4.029 5.731 -1.042) 7.082 6.466 ( -2.299 -2.889 2.013) 4.205 6.466 ( -2.299 2.889 2.013) 4.205 6.919 ( 1.970 -0.812 -2.052) 2.958 6.919 ( 1.970 0.812 -2.052) 2.958 7.938 ( -2.977 -11.017 4.020) 12.100 7.938 ( -2.977 11.017 4.020) 12.100 9.913 ( 6.661 -9.186 0.165) 11.348 9.913 ( 6.661 9.186 0.165) 11.348 10.621 ( 4.223 -7.345 1.367) 8.582 10.621 ( 4.223 7.345 1.367) 8.582 12.627 ( -4.857 -10.004 -7.238) 13.269 12.627 ( -4.857 10.004 -7.238) 13.269 14.566 ( -8.374 -2.026 2.607) 9.001 14.566 ( -8.374 2.026 2.607) 9.001 16.589 ( 6.386 -4.157 -0.559) 7.640 16.589 ( 6.386 4.157 -0.559) 7.640 ======================= Grid point 125 (66/185) ======================= q-point: (-0.56 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.669 ( -4.028 -0.612 0.249) 4.082 1.669 ( -4.028 0.612 0.249) 4.082 1.885 ( -0.797 -5.114 -4.156) 6.638 1.885 ( -0.797 5.114 -4.156) 6.638 2.065 ( 2.197 -5.031 0.771) 5.544 2.065 ( 2.197 5.031 0.771) 5.544 2.381 ( -0.879 -5.198 -1.098) 5.385 2.381 ( -0.879 5.198 -1.098) 5.385 2.798 ( -3.879 -2.945 -7.278) 8.758 2.798 ( -3.879 2.945 -7.278) 8.758 3.068 ( 5.686 -2.624 3.860) 7.356 3.068 ( 5.686 2.624 3.860) 7.356 3.364 ( -3.359 -4.806 -0.521) 5.887 3.364 ( -3.359 4.806 -0.521) 5.887 3.687 ( 2.865 -10.172 -1.969) 10.750 3.687 ( 2.865 10.172 -1.969) 10.750 4.197 ( 3.008 -2.728 -1.255) 4.250 4.197 ( 3.008 2.728 -1.255) 4.250 4.430 ( 1.302 -2.613 3.680) 4.697 4.430 ( 1.302 2.613 3.680) 4.697 4.605 ( 1.075 -4.541 -0.823) 4.739 4.605 ( 1.075 4.541 -0.823) 4.739 5.141 ( -0.667 -3.529 -0.640) 3.648 5.141 ( -0.667 3.529 -0.640) 3.648 6.212 ( -1.622 -6.845 -0.170) 7.036 6.212 ( -1.622 6.845 -0.170) 7.036 6.461 ( -0.704 -1.327 2.423) 2.850 6.461 ( -0.704 1.327 2.423) 2.850 6.926 ( 1.073 -1.493 -2.358) 2.990 6.926 ( 1.073 1.493 -2.358) 2.990 7.928 ( -2.422 -12.123 3.919) 12.969 7.928 ( -2.422 12.123 3.919) 12.969 9.963 ( 1.593 -9.401 -4.550) 10.565 9.963 ( 1.593 9.401 -4.550) 10.565 10.701 ( 1.542 -8.364 3.572) 9.225 10.701 ( 1.542 8.364 3.572) 9.225 12.590 ( 3.504 -9.679 3.081) 10.745 12.590 ( 3.504 9.679 3.081) 10.745 14.454 ( -5.257 -3.760 -1.729) 6.690 14.454 ( -5.257 3.760 -1.729) 6.690 16.666 ( 2.664 -4.555 0.091) 5.278 16.666 ( 2.664 4.555 0.091) 5.278 ======================= Grid point 127 (67/185) ======================= q-point: (-0.44 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.547 ( -6.355 -4.439 -6.858) 10.350 1.547 ( -6.355 4.439 -6.858) 10.350 1.762 ( -7.774 -4.913 -5.301) 10.614 1.762 ( -7.774 4.913 -5.301) 10.614 2.082 ( -0.160 -2.794 0.543) 2.851 2.082 ( -0.160 2.794 0.543) 2.851 2.292 ( -5.511 -2.461 -6.131) 8.603 2.292 ( -5.511 2.461 -6.131) 8.603 2.735 ( 2.438 -3.943 -2.823) 5.428 2.735 ( 2.438 3.943 -2.823) 5.428 3.121 ( -0.415 -4.135 -3.420) 5.382 3.121 ( -0.415 4.135 -3.420) 5.382 3.323 ( -1.053 -3.284 0.788) 3.538 3.323 ( -1.053 3.284 0.788) 3.538 3.777 ( 6.085 -9.154 2.746) 11.330 3.777 ( 6.085 9.154 2.746) 11.330 4.178 ( -5.168 -5.825 -0.039) 7.787 4.178 ( -5.168 5.825 -0.039) 7.787 4.397 ( -1.575 -3.196 -0.715) 3.633 4.397 ( -1.575 3.196 -0.715) 3.633 4.716 ( 6.298 -1.519 2.663) 7.005 4.716 ( 6.298 1.519 2.663) 7.005 5.162 ( 2.943 -2.825 1.395) 4.312 5.162 ( 2.943 2.825 1.395) 4.312 6.219 ( 2.382 -6.343 -0.067) 6.776 6.219 ( 2.382 6.343 -0.067) 6.776 6.479 ( -0.614 -0.863 3.446) 3.605 6.479 ( -0.614 0.863 3.446) 3.605 6.916 ( 0.517 -2.646 -2.233) 3.501 6.916 ( 0.517 2.646 -2.233) 3.501 7.928 ( -1.554 -10.347 3.439) 11.014 7.928 ( -1.554 10.347 3.439) 11.014 9.896 ( -3.209 -9.047 -6.215) 11.435 9.896 ( -3.209 9.047 -6.215) 11.435 10.723 ( -2.686 -8.517 3.429) 9.566 10.723 ( -2.686 8.517 3.429) 9.566 12.802 ( 11.972 -13.696 12.249) 21.931 12.802 ( 11.972 13.696 12.249) 21.931 14.355 ( -1.570 -5.600 -6.590) 8.790 14.355 ( -1.570 5.600 -6.590) 8.790 16.679 ( -1.635 -4.262 0.583) 4.602 16.679 ( -1.635 4.262 0.583) 4.602 ======================= Grid point 129 (68/185) ======================= q-point: (-0.33 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.331 ( -8.448 -4.646 -10.823) 14.494 1.331 ( -8.448 4.646 -10.823) 14.494 1.598 ( -5.747 -4.567 -1.929) 7.590 1.598 ( -5.747 4.567 -1.929) 7.590 1.999 ( -6.014 -6.291 -6.469) 10.844 1.999 ( -6.014 6.291 -6.469) 10.844 2.195 ( -2.082 -7.435 -0.266) 7.726 2.195 ( -2.082 7.435 -0.266) 7.726 2.716 ( -2.915 -3.896 -2.875) 5.652 2.716 ( -2.915 3.896 -2.875) 5.652 3.110 ( 2.393 -0.450 -2.796) 3.708 3.110 ( 2.393 0.450 -2.796) 3.708 3.285 ( -1.971 -4.341 -1.341) 4.952 3.285 ( -1.971 4.341 -1.341) 4.952 3.893 ( 3.599 -6.169 1.322) 7.263 3.893 ( 3.599 6.169 1.322) 7.263 4.065 ( -6.862 -13.005 2.050) 14.847 4.065 ( -6.862 13.005 2.050) 14.847 4.382 ( -0.556 -5.965 -0.185) 5.993 4.382 ( -0.556 5.965 -0.185) 5.993 4.828 ( 5.344 -3.412 0.307) 6.348 4.828 ( 5.344 3.412 0.307) 6.348 5.263 ( 5.842 -1.624 3.205) 6.859 5.263 ( 5.842 1.624 3.205) 6.859 6.282 ( 4.924 -4.829 -0.648) 6.927 6.282 ( 4.924 4.829 -0.648) 6.927 6.490 ( -2.010 -2.591 3.205) 4.585 6.490 ( -2.010 2.591 3.205) 4.585 6.911 ( 0.825 -4.195 -1.165) 4.431 6.911 ( 0.825 4.195 -1.165) 4.431 7.938 ( -0.770 -6.883 2.997) 7.546 7.938 ( -0.770 6.883 2.997) 7.546 9.753 ( -6.913 -8.594 -4.903) 12.070 9.753 ( -6.913 8.594 -4.903) 12.070 10.683 ( -4.643 -7.725 2.431) 9.335 10.683 ( -4.643 7.725 2.431) 9.335 13.173 ( 13.802 -15.298 15.923) 26.040 13.173 ( 13.802 15.298 15.923) 26.040 14.295 ( 4.444 -7.987 -10.081) 13.608 14.295 ( 4.444 7.987 -10.081) 13.608 16.618 ( -6.043 -3.355 0.537) 6.933 16.618 ( -6.043 3.355 0.537) 6.933 ======================= Grid point 131 (69/185) ======================= q-point: (-0.22 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.121 ( -5.872 -2.962 -4.275) 7.844 1.121 ( -5.872 2.962 -4.275) 7.844 1.525 ( -1.726 -12.176 -2.271) 12.506 1.525 ( -1.726 12.176 -2.271) 12.506 1.867 ( -2.595 -5.796 -2.885) 6.975 1.867 ( -2.595 5.796 -2.885) 6.975 2.115 ( -5.678 -4.708 -3.081) 7.994 2.115 ( -5.678 4.708 -3.081) 7.994 2.646 ( -2.758 -6.984 0.878) 7.560 2.646 ( -2.758 6.984 0.878) 7.560 3.005 ( -11.238 -8.795 -1.025) 14.307 3.005 ( -11.238 8.795 -1.025) 14.307 3.346 ( 10.062 -2.265 -4.010) 11.067 3.346 ( 10.062 2.265 -4.010) 11.067 3.889 ( -2.415 -2.535 -2.261) 4.167 3.889 ( -2.415 2.535 -2.261) 4.167 4.031 ( -1.028 -15.579 3.665) 16.037 4.031 ( -1.028 15.579 3.665) 16.037 4.355 ( -2.832 -5.556 -0.123) 6.237 4.355 ( -2.832 5.556 -0.123) 6.237 4.911 ( 4.620 -4.719 -0.941) 6.671 4.911 ( 4.620 4.719 -0.941) 6.671 5.399 ( 6.176 -1.352 2.636) 6.850 5.399 ( 6.176 1.352 2.636) 6.850 6.363 ( 4.979 -3.221 -1.233) 6.057 6.363 ( 4.979 3.221 -1.233) 6.057 6.467 ( -2.964 -4.757 1.706) 5.859 6.467 ( -2.964 4.757 1.706) 5.859 6.924 ( 1.092 -5.392 0.084) 5.503 6.924 ( 1.092 5.392 0.084) 5.503 7.955 ( -0.395 -3.929 2.916) 4.908 7.955 ( -0.395 3.929 2.916) 4.908 9.586 ( -8.250 -7.739 -1.847) 11.461 9.586 ( -8.250 7.739 -1.847) 11.461 10.620 ( -4.305 -6.517 1.095) 7.887 10.620 ( -4.305 6.517 1.095) 7.887 13.476 ( 6.101 -9.942 7.776) 14.019 13.476 ( 6.101 9.942 7.776) 14.019 14.372 ( 13.966 -11.996 -5.408) 19.189 14.372 ( 13.966 11.996 -5.408) 19.189 16.486 ( -9.303 -1.983 0.040) 9.512 16.486 ( -9.303 1.983 0.040) 9.512 ======================= Grid point 133 (70/185) ======================= q-point: (-0.11 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.085 ( 0.471 -2.217 5.571) 6.015 1.085 ( 0.471 2.217 5.571) 6.015 1.455 ( -2.840 -13.620 -4.603) 14.654 1.455 ( -2.840 13.620 -4.603) 14.654 1.853 ( 0.591 -6.683 1.335) 6.840 1.853 ( 0.591 6.683 1.335) 6.840 2.031 ( 0.297 -8.438 -0.243) 8.446 2.031 ( 0.297 8.438 -0.243) 8.446 2.608 ( -4.572 -10.597 1.514) 11.640 2.608 ( -4.572 10.597 1.514) 11.640 2.824 ( -7.537 -2.853 2.870) 8.554 2.824 ( -7.537 2.853 2.870) 8.554 3.472 ( 7.977 -6.252 -4.435) 11.063 3.472 ( 7.977 6.252 -4.435) 11.063 3.826 ( -1.463 -0.637 -2.726) 3.159 3.826 ( -1.463 0.637 -2.726) 3.159 4.059 ( 1.777 -9.551 0.617) 9.734 4.059 ( 1.777 9.551 0.617) 9.734 4.277 ( -5.752 -5.213 -0.514) 7.780 4.277 ( -5.752 5.213 -0.514) 7.780 4.963 ( 2.747 -5.055 -1.935) 6.070 4.963 ( 2.747 5.055 -1.935) 6.070 5.502 ( 3.352 -0.807 0.480) 3.481 5.502 ( 3.352 0.807 0.480) 3.481 6.388 ( -0.632 -2.205 -1.675) 2.840 6.388 ( -0.632 2.205 -1.675) 2.840 6.469 ( 2.273 -1.500 1.295) 3.015 6.469 ( 2.273 1.500 1.295) 3.015 6.939 ( 0.291 -5.570 0.165) 5.580 6.939 ( 0.291 5.570 0.165) 5.580 7.975 ( -0.690 -2.714 2.999) 4.103 7.975 ( -0.690 2.714 2.999) 4.103 9.459 ( -5.744 -6.462 1.742) 8.820 9.459 ( -5.744 6.462 1.742) 8.820 10.562 ( -2.640 -5.364 -0.431) 5.994 10.562 ( -2.640 5.364 -0.431) 5.994 13.514 ( -0.414 -5.548 -7.143) 9.054 13.514 ( -0.414 5.548 -7.143) 9.054 14.635 ( 14.155 -13.733 4.054) 20.135 14.635 ( 14.155 13.733 4.054) 20.135 16.323 ( -8.272 -0.625 -0.408) 8.305 16.323 ( -8.272 0.625 -0.408) 8.305 ======================= Grid point 162 (71/185) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.691 ( -1.001 0.000 16.610) 16.640 0.774 ( 1.937 0.000 14.952) 15.077 1.153 ( 8.680 0.000 2.856) 9.138 1.657 ( 8.807 0.000 -3.501) 9.478 1.686 ( 5.696 0.000 31.484) 31.995 1.863 ( -5.130 0.000 6.377) 8.184 1.933 ( 1.483 0.000 9.584) 9.698 2.449 ( 12.499 0.000 12.597) 17.745 2.576 ( 9.693 0.000 -4.098) 10.524 2.645 ( 0.204 0.000 -9.759) 9.761 2.972 ( -6.633 0.000 -2.959) 7.263 3.068 ( -7.383 0.000 -3.299) 8.087 3.120 ( 0.466 0.000 -2.411) 2.455 3.431 ( 8.106 0.000 -4.320) 9.185 3.493 ( -3.791 0.000 -6.620) 7.629 3.818 ( 4.788 0.000 -0.187) 4.791 4.279 ( 0.472 0.000 2.045) 2.099 4.298 ( 8.458 0.000 4.032) 9.370 4.341 ( 1.700 0.000 10.792) 10.925 4.776 ( -3.728 0.000 4.664) 5.971 4.809 ( -3.902 0.000 -5.960) 7.123 5.123 ( -3.100 0.000 -5.588) 6.391 5.292 ( -10.794 0.000 -2.532) 11.087 5.326 ( -1.818 0.000 -9.718) 9.886 6.087 ( 5.796 0.000 4.217) 7.168 6.312 ( -5.140 0.000 -3.194) 6.051 6.418 ( -0.702 0.000 0.469) 0.844 6.757 ( 8.086 0.000 -6.614) 10.447 6.855 ( 0.122 0.000 1.201) 1.207 7.344 ( 1.854 0.000 -8.219) 8.425 7.709 ( -14.645 0.000 9.457) 17.433 7.780 ( 29.904 0.000 4.454) 30.234 9.431 ( -0.240 0.000 10.007) 10.010 10.209 ( 6.640 0.000 -5.870) 8.863 10.345 ( -42.890 0.000 3.031) 42.997 10.687 ( -2.924 0.000 -3.092) 4.255 12.172 ( 0.532 0.000 14.256) 14.266 13.673 ( 4.028 0.000 -15.281) 15.803 14.647 ( 11.585 0.000 8.658) 14.463 15.085 ( -7.068 0.000 -1.785) 7.290 16.179 ( -0.287 0.000 1.274) 1.306 16.233 ( 4.959 0.000 -0.394) 4.975 ======================= Grid point 163 (72/185) ======================= q-point: ( 0.11 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.995 ( 7.294 0.000 14.030) 15.812 1.025 ( 18.454 0.000 12.929) 22.532 1.297 ( 8.615 0.000 -9.672) 12.953 1.804 ( 12.513 0.000 -5.123) 13.522 1.974 ( 6.156 0.000 10.815) 12.445 1.981 ( -1.418 0.000 3.649) 3.915 2.080 ( 10.882 0.000 21.002) 23.653 2.506 ( -4.305 0.000 -7.433) 8.590 2.701 ( 3.601 0.000 3.057) 4.724 2.710 ( 2.970 0.000 3.941) 4.935 2.909 ( 1.289 0.000 -0.620) 1.430 2.938 ( -0.847 0.000 -4.189) 4.274 3.066 ( -2.306 0.000 1.395) 2.695 3.316 ( -5.600 0.000 -11.777) 13.041 3.568 ( 9.681 0.000 -3.972) 10.464 3.936 ( 7.124 0.000 2.500) 7.550 4.235 ( -4.049 0.000 -3.063) 5.077 4.439 ( 2.229 0.000 2.182) 3.119 4.471 ( 0.148 0.000 13.297) 13.298 4.691 ( -3.354 0.000 -2.802) 4.370 4.774 ( -3.150 0.000 4.740) 5.691 5.015 ( -4.253 0.000 -1.780) 4.611 5.037 ( -13.482 0.000 -3.765) 13.997 5.206 ( -0.678 0.000 -11.521) 11.541 6.165 ( -7.671 0.000 -2.172) 7.973 6.249 ( 8.485 0.000 3.016) 9.005 6.428 ( 1.506 0.000 -1.597) 2.195 6.816 ( 5.221 0.000 -6.063) 8.002 6.888 ( 2.036 0.000 2.314) 3.082 7.271 ( -0.195 0.000 -9.268) 9.270 7.490 ( -17.942 0.000 5.056) 18.641 8.227 ( 17.014 0.000 2.191) 17.155 9.411 ( -11.419 0.000 8.384) 14.166 10.023 ( -4.885 0.000 13.803) 14.642 10.239 ( 3.820 0.000 -8.048) 8.908 10.696 ( 5.136 0.000 1.441) 5.334 12.343 ( 3.291 0.000 15.557) 15.901 13.591 ( 4.068 0.000 -16.846) 17.330 14.717 ( -8.464 0.000 11.314) 14.129 14.817 ( -19.549 0.000 -4.235) 20.003 16.249 ( 6.311 0.000 0.801) 6.362 16.431 ( 15.820 0.000 -3.654) 16.236 ======================= Grid point 164 (73/185) ======================= q-point: ( 0.22 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.257 ( 3.923 0.000 -13.549) 14.105 1.260 ( 8.379 0.000 12.984) 15.453 1.467 ( 15.621 0.000 9.850) 18.467 1.918 ( 3.424 0.000 -5.785) 6.723 1.993 ( 2.163 0.000 -1.744) 2.779 2.158 ( 2.700 0.000 5.426) 6.061 2.395 ( -0.189 0.000 -7.618) 7.620 2.405 ( 9.280 0.000 4.163) 10.171 2.689 ( -6.636 0.000 10.010) 12.010 2.695 ( 0.801 0.000 2.990) 3.096 2.880 ( -0.256 0.000 -17.477) 17.479 2.951 ( 1.502 0.000 -0.619) 1.625 3.172 ( 8.441 0.000 7.739) 11.452 3.208 ( 5.173 0.000 -4.772) 7.038 3.647 ( 3.298 0.000 -4.236) 5.369 4.087 ( 4.986 0.000 5.624) 7.516 4.141 ( -3.258 0.000 -0.113) 3.260 4.375 ( -3.821 0.000 -7.631) 8.534 4.532 ( -12.033 0.000 1.341) 12.108 4.635 ( -7.240 0.000 6.112) 9.475 4.654 ( -2.878 0.000 0.970) 3.037 4.929 ( -0.695 0.000 5.466) 5.510 4.983 ( -0.017 0.000 1.894) 1.894 5.107 ( 0.860 0.000 -7.345) 7.396 6.027 ( -6.153 0.000 -1.087) 6.249 6.412 ( 7.620 0.000 1.061) 7.693 6.437 ( 1.502 0.000 -1.921) 2.438 6.828 ( 1.272 0.000 -3.023) 3.279 6.964 ( 4.441 0.000 1.893) 4.827 7.174 ( -0.985 0.000 -9.112) 9.165 7.209 ( -17.135 0.000 1.140) 17.173 8.412 ( 0.919 0.000 5.910) 5.981 9.338 ( -2.008 0.000 3.465) 4.004 10.206 ( 6.898 0.000 14.431) 15.995 10.207 ( 3.360 0.000 -10.970) 11.474 10.858 ( 7.600 0.000 7.274) 10.520 12.568 ( 5.919 0.000 15.337) 16.439 13.502 ( 4.472 0.000 -18.641) 19.170 14.382 ( -24.033 0.000 -6.057) 24.784 14.655 ( -10.218 0.000 11.457) 15.352 16.379 ( 7.228 0.000 0.804) 7.273 16.648 ( 13.037 0.000 -3.931) 13.617 ======================= Grid point 165 (74/185) ======================= q-point: ( 0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.197 ( 4.793 0.000 -13.060) 13.912 1.490 ( 3.765 0.000 10.019) 10.703 1.747 ( 7.661 0.000 5.701) 9.550 1.825 ( -6.581 0.000 -3.832) 7.615 1.999 ( 1.893 0.000 -7.210) 7.455 2.116 ( -2.410 0.000 -6.062) 6.524 2.270 ( -7.238 0.000 -10.503) 12.756 2.373 ( -9.541 0.000 3.167) 10.053 2.732 ( 5.792 0.000 -20.532) 21.334 2.780 ( 2.109 0.000 -0.336) 2.136 2.881 ( 11.336 0.000 9.034) 14.495 3.012 ( 7.399 0.000 4.723) 8.778 3.319 ( 9.591 0.000 -2.295) 9.861 3.386 ( 9.097 0.000 2.585) 9.457 3.618 ( -1.446 0.000 -2.830) 3.178 4.102 ( -9.449 0.000 1.987) 9.655 4.106 ( -14.334 0.000 2.492) 14.549 4.220 ( -6.066 0.000 2.236) 6.465 4.316 ( 5.978 0.000 -6.114) 8.551 4.593 ( -1.105 0.000 -3.241) 3.425 4.662 ( -3.485 0.000 6.463) 7.343 4.953 ( 1.202 0.000 -9.163) 9.241 4.995 ( 0.392 0.000 8.173) 8.182 5.174 ( 2.735 0.000 11.271) 11.598 5.948 ( -2.736 0.000 1.190) 2.983 6.446 ( 1.476 0.000 -1.714) 2.262 6.508 ( 2.942 0.000 -0.899) 3.076 6.811 ( -0.777 0.000 -1.775) 1.937 6.949 ( -11.771 0.000 -1.382) 11.852 7.076 ( -0.832 0.000 -8.656) 8.695 7.077 ( 5.684 0.000 3.605) 6.731 8.402 ( -7.623 0.000 6.004) 9.704 9.378 ( 3.405 0.000 -0.038) 3.405 10.167 ( 4.476 0.000 -11.999) 12.807 10.471 ( 7.139 0.000 15.891) 17.421 11.054 ( 4.752 0.000 10.868) 11.861 12.788 ( 2.755 0.000 11.355) 11.684 13.398 ( 4.406 0.000 -20.408) 20.878 13.948 ( -17.381 0.000 -4.472) 17.947 14.579 ( -9.562 0.000 8.850) 13.029 16.497 ( 5.029 0.000 1.266) 5.186 16.803 ( 8.874 0.000 -3.529) 9.550 ======================= Grid point 166 (75/185) ======================= q-point: (-0.56 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.198 ( 6.385 0.000 -7.781) 10.066 1.456 ( -9.275 0.000 -3.823) 10.032 1.683 ( -6.948 0.000 -6.655) 9.622 1.781 ( -6.391 0.000 -6.620) 9.202 1.928 ( -0.726 0.000 -3.456) 3.532 2.050 ( -5.517 0.000 -5.169) 7.561 2.130 ( 7.702 0.000 0.492) 7.718 2.295 ( 0.221 0.000 -1.404) 1.422 2.636 ( 3.982 0.000 -19.942) 20.336 2.694 ( -7.822 0.000 -1.551) 7.975 3.166 ( 11.263 0.000 8.147) 13.900 3.230 ( 6.587 0.000 5.014) 8.279 3.453 ( 5.247 0.000 -0.191) 5.250 3.507 ( 5.367 0.000 -4.242) 6.841 3.535 ( -8.381 0.000 -0.481) 8.394 3.805 ( -9.414 0.000 0.832) 9.451 3.919 ( -9.457 0.000 -1.806) 9.628 4.305 ( -1.823 0.000 -6.799) 7.039 4.348 ( 3.884 0.000 14.058) 14.584 4.593 ( -5.728 0.000 -3.656) 6.795 4.633 ( 11.150 0.000 -6.536) 12.924 4.900 ( 1.281 0.000 -5.999) 6.135 5.092 ( -0.215 0.000 12.589) 12.591 5.334 ( 1.907 0.000 12.989) 13.129 5.959 ( 1.305 0.000 3.587) 3.817 6.456 ( 1.393 0.000 -1.364) 1.950 6.500 ( -2.132 0.000 -0.887) 2.309 6.700 ( -7.404 0.000 -5.347) 9.132 6.857 ( 0.953 0.000 -0.975) 1.363 6.988 ( -0.401 0.000 -8.244) 8.254 7.229 ( 6.087 0.000 7.361) 9.552 8.280 ( -10.902 0.000 2.765) 11.248 9.421 ( 1.636 0.000 -0.942) 1.888 10.141 ( 5.151 0.000 -11.732) 12.812 10.740 ( 5.493 0.000 19.166) 19.937 11.204 ( -0.039 0.000 12.173) 12.173 12.745 ( -14.430 0.000 -0.461) 14.438 13.278 ( 4.071 0.000 -21.585) 21.965 13.844 ( 5.860 0.000 5.455) 8.006 14.486 ( -8.853 0.000 5.117) 10.226 16.567 ( 1.361 0.000 1.768) 2.231 16.887 ( 4.627 0.000 -3.472) 5.784 ======================= Grid point 167 (76/185) ======================= q-point: (-0.44 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.219 ( -6.539 0.000 3.759) 7.543 1.284 ( -4.396 0.000 -2.416) 5.016 1.418 ( -11.368 0.000 -11.743) 16.344 1.550 ( -0.657 0.000 -16.188) 16.202 1.870 ( -2.532 0.000 -5.024) 5.626 1.982 ( -0.485 0.000 -4.519) 4.545 2.293 ( 7.418 0.000 -0.162) 7.420 2.346 ( 8.993 0.000 -5.694) 10.644 2.533 ( -10.094 0.000 0.595) 10.111 2.559 ( 5.519 0.000 -8.775) 10.366 3.020 ( -28.264 0.000 3.026) 28.425 3.378 ( -2.657 0.000 6.777) 7.279 3.438 ( 1.675 0.000 -1.374) 2.167 3.533 ( 2.578 0.000 -6.028) 6.556 3.564 ( 6.390 0.000 6.000) 8.765 3.810 ( -1.176 0.000 -1.866) 2.206 3.814 ( 3.850 0.000 3.020) 4.893 4.177 ( -3.103 0.000 -9.125) 9.638 4.397 ( -6.107 0.000 -8.158) 10.190 4.575 ( 4.697 0.000 10.885) 11.855 4.798 ( 17.096 0.000 -13.406) 21.726 4.896 ( 0.510 0.000 2.311) 2.367 5.215 ( -0.072 0.000 14.115) 14.115 5.463 ( 0.329 0.000 10.349) 10.354 6.043 ( 3.683 0.000 4.317) 5.674 6.427 ( -7.126 0.000 -0.567) 7.149 6.469 ( 1.200 0.000 -0.745) 1.412 6.546 ( -1.485 0.000 -7.172) 7.324 6.873 ( 1.587 0.000 -1.492) 2.178 6.908 ( -0.528 0.000 -7.529) 7.547 7.418 ( 5.516 0.000 11.357) 12.626 8.085 ( -12.242 0.000 -1.238) 12.304 9.411 ( -1.867 0.000 -0.454) 1.921 10.126 ( 5.185 0.000 -10.867) 12.041 11.023 ( 4.633 0.000 24.051) 24.493 11.267 ( -5.444 0.000 11.036) 12.306 12.411 ( -17.858 0.000 -4.343) 18.379 13.142 ( 3.433 0.000 -21.614) 21.885 14.134 ( 16.572 0.000 9.041) 18.878 14.369 ( -7.961 0.000 0.943) 8.017 16.573 ( -2.779 0.000 2.060) 3.459 16.900 ( 0.840 0.000 -3.862) 3.953 ======================= Grid point 168 (77/185) ======================= q-point: (-0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.983 ( -19.252 0.000 5.691) 20.076 1.085 ( -17.839 0.000 0.803) 17.857 1.351 ( 10.984 0.000 -1.259) 11.056 1.565 ( 10.474 0.000 -9.124) 13.890 1.768 ( -5.652 0.000 -2.412) 6.145 1.876 ( -3.246 0.000 -10.308) 10.807 2.316 ( -12.337 0.000 -3.524) 12.830 2.388 ( 6.662 0.000 -2.457) 7.101 2.467 ( -1.909 0.000 -6.000) 6.296 2.589 ( -12.106 0.000 5.031) 13.109 2.612 ( -0.478 0.000 -0.098) 0.488 3.225 ( -7.618 0.000 2.575) 8.041 3.491 ( -1.708 0.000 -4.674) 4.976 3.577 ( 4.286 0.000 4.368) 6.120 3.671 ( -0.934 0.000 3.685) 3.801 3.776 ( -1.328 0.000 -2.026) 2.422 3.932 ( 5.930 0.000 3.059) 6.672 4.061 ( 1.662 0.000 -12.380) 12.491 4.235 ( -2.250 0.000 -7.537) 7.865 4.732 ( 2.622 0.000 7.736) 8.168 4.908 ( 5.903 0.000 -5.284) 7.923 4.996 ( 10.680 0.000 -3.745) 11.317 5.342 ( 0.400 0.000 12.351) 12.358 5.534 ( -0.668 0.000 5.657) 5.696 6.150 ( 4.200 0.000 3.258) 5.315 6.243 ( -10.496 0.000 -2.821) 10.869 6.491 ( 1.564 0.000 1.442) 2.127 6.530 ( 4.604 0.000 -5.004) 6.800 6.830 ( -1.694 0.000 -5.151) 5.422 6.877 ( 0.676 0.000 -1.880) 1.997 7.614 ( 2.931 0.000 14.363) 14.659 7.849 ( -11.430 0.000 -4.765) 12.383 9.360 ( -4.137 0.000 1.491) 4.398 10.119 ( 5.077 0.000 -9.922) 11.145 11.207 ( -10.985 0.000 6.395) 12.711 11.355 ( 6.382 0.000 26.992) 27.736 12.132 ( -11.148 0.000 0.243) 11.151 13.007 ( 2.806 0.000 -17.670) 17.891 14.232 ( -6.482 0.000 -3.233) 7.243 14.513 ( 17.627 0.000 7.373) 19.107 16.510 ( -6.673 0.000 2.111) 6.999 16.844 ( -2.536 0.000 -5.394) 5.960 ======================= Grid point 169 (78/185) ======================= q-point: (-0.22 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.817 ( -15.149 0.000 4.706) 15.864 0.833 ( -8.696 0.000 16.721) 18.847 1.541 ( -23.860 0.000 7.944) 25.148 1.576 ( 7.072 0.000 2.677) 7.562 1.630 ( 1.162 0.000 -2.232) 2.517 1.781 ( 5.471 0.000 -1.399) 5.647 1.938 ( -23.562 0.000 -9.454) 25.388 2.314 ( 2.295 0.000 0.025) 2.295 2.343 ( -15.938 0.000 0.984) 15.968 2.588 ( 7.426 0.000 -5.486) 9.233 2.754 ( 15.805 0.000 -2.760) 16.044 3.227 ( 1.704 0.000 1.855) 2.519 3.382 ( -7.094 0.000 -3.220) 7.791 3.598 ( -4.943 0.000 -5.955) 7.739 3.601 ( -5.369 0.000 5.034) 7.359 3.770 ( 1.481 0.000 -0.288) 1.508 4.024 ( 8.385 0.000 -12.840) 15.335 4.059 ( 3.393 0.000 6.778) 7.580 4.197 ( 1.759 0.000 -1.643) 2.407 4.803 ( -1.138 0.000 5.386) 5.505 4.938 ( 0.870 0.000 -1.282) 1.549 5.128 ( 9.958 0.000 -7.441) 12.431 5.437 ( -1.006 0.000 7.980) 8.043 5.538 ( -1.638 0.000 -1.205) 2.033 6.059 ( -8.086 0.000 -0.121) 8.086 6.240 ( 3.764 0.000 1.731) 4.143 6.561 ( 1.897 0.000 3.586) 4.057 6.587 ( 7.102 0.000 -5.086) 8.736 6.783 ( 0.922 0.000 3.446) 3.568 6.866 ( 0.048 0.000 -1.665) 1.666 7.629 ( -7.162 0.000 -6.977) 9.998 7.763 ( -2.050 0.000 15.157) 15.295 9.317 ( -3.709 0.000 4.824) 6.085 10.122 ( 5.495 0.000 -8.886) 10.448 11.027 ( -12.548 0.000 0.734) 12.570 11.631 ( -0.390 0.000 5.495) 5.509 12.033 ( -5.026 0.000 7.035) 8.646 13.035 ( 14.040 0.000 6.668) 15.543 14.097 ( -3.698 0.000 -5.741) 6.829 14.853 ( 14.857 0.000 4.399) 15.495 16.388 ( -9.348 0.000 1.950) 9.549 16.693 ( -8.272 0.000 -8.988) 12.215 ======================= Grid point 170 (79/185) ======================= q-point: (-0.11 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.690 ( -7.411 0.000 11.696) 13.846 0.799 ( -19.465 0.000 14.105) 24.038 1.253 ( -26.899 0.000 -1.668) 26.951 1.367 ( -7.124 0.000 29.571) 30.417 1.590 ( 2.226 0.000 -3.393) 4.058 1.797 ( 1.507 0.000 9.730) 9.846 2.028 ( -14.284 0.000 4.221) 14.894 2.087 ( 12.651 0.000 9.615) 15.890 2.440 ( 11.302 0.000 -4.555) 12.186 2.668 ( 5.823 0.000 -6.121) 8.448 3.002 ( 14.444 0.000 -2.691) 14.693 3.181 ( -11.362 0.000 -4.813) 12.339 3.205 ( -4.079 0.000 -3.015) 5.072 3.451 ( -3.230 0.000 -7.003) 7.712 3.564 ( -2.534 0.000 1.390) 2.890 3.779 ( 0.852 0.000 -0.883) 1.227 4.121 ( 11.003 0.000 -3.836) 11.653 4.181 ( 1.677 0.000 10.969) 11.097 4.244 ( 3.278 0.000 1.704) 3.695 4.805 ( -3.600 0.000 4.433) 5.710 4.906 ( -2.009 0.000 -3.454) 3.995 5.183 ( 3.780 0.000 -7.191) 8.124 5.433 ( -5.430 0.000 2.455) 5.959 5.451 ( -3.193 0.000 -7.352) 8.016 5.998 ( -0.673 0.000 3.788) 3.848 6.318 ( 4.025 0.000 -0.182) 4.029 6.510 ( -7.412 0.000 0.006) 7.412 6.671 ( 8.214 0.000 -5.663) 9.977 6.853 ( -0.057 0.000 -0.723) 0.725 7.094 ( 23.188 0.000 13.170) 26.667 7.493 ( -0.180 0.000 -6.756) 6.758 7.805 ( -8.598 0.000 13.309) 15.845 9.338 ( -0.676 0.000 8.451) 8.478 10.150 ( 6.596 0.000 -7.273) 9.819 10.824 ( -9.242 0.000 -2.555) 9.589 11.209 ( -38.113 0.000 -17.926) 42.119 12.063 ( -1.876 0.000 11.583) 11.734 13.603 ( 24.260 0.000 2.147) 24.355 14.135 ( 18.411 0.000 9.865) 20.887 15.079 ( 7.333 0.000 1.201) 7.430 16.245 ( -8.170 0.000 1.660) 8.337 16.389 ( -15.698 0.000 -7.030) 17.200 ======================= Grid point 171 (80/185) ======================= q-point: ( 0.00 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.638 ( 5.692 -5.567 16.531) 18.348 0.786 ( -2.309 6.311 14.660) 16.127 1.200 ( 3.801 5.958 2.243) 7.415 1.671 ( 2.899 2.481 0.080) 3.816 1.853 ( 8.058 11.122 21.422) 25.447 1.870 ( 1.377 0.996 8.229) 8.403 1.949 ( 1.266 1.835 9.153) 9.420 2.366 ( 12.682 -8.589 1.480) 15.388 2.513 ( -0.238 -3.991 5.577) 6.862 2.676 ( -1.578 2.600 -5.296) 6.107 3.006 ( 3.719 3.526 -0.272) 5.132 3.097 ( -7.888 1.476 -1.090) 8.099 3.203 ( 3.157 8.184 -6.473) 10.902 3.422 ( -1.371 -0.127 -5.644) 5.810 3.548 ( 3.217 4.625 -5.778) 8.070 3.804 ( 4.095 -2.189 1.563) 4.899 4.051 ( 2.790 -13.418 3.981) 14.272 4.219 ( 1.935 -8.519 0.934) 8.785 4.485 ( 5.715 6.234 6.741) 10.815 4.673 ( -5.695 -7.493 -0.959) 9.460 4.817 ( -3.781 -2.266 -0.608) 4.450 5.066 ( -3.228 -4.114 -5.267) 7.422 5.330 ( -8.646 2.906 -3.933) 9.934 5.357 ( -2.064 2.659 -8.500) 9.142 6.106 ( 4.470 2.452 3.702) 6.301 6.361 ( -2.979 4.314 -1.905) 5.578 6.419 ( -1.484 0.176 0.051) 1.496 6.695 ( 6.449 -6.160 -4.720) 10.091 6.817 ( 2.532 -1.790 1.999) 3.689 7.283 ( -0.914 -5.729 -6.126) 8.437 7.775 ( -8.018 6.403 7.130) 12.495 7.856 ( 18.399 6.206 4.373) 19.903 9.417 ( -1.208 -0.998 9.969) 10.092 10.025 ( -9.967 -12.549 4.805) 16.730 10.376 ( -12.832 0.960 -0.295) 12.872 10.669 ( -2.399 -1.841 -3.603) 4.704 12.346 ( -3.196 14.282 2.346) 14.822 13.592 ( 2.700 -7.834 -15.381) 17.471 14.644 ( 9.865 0.787 11.830) 15.423 15.100 ( -6.039 1.206 -0.993) 6.238 16.190 ( 0.120 0.879 0.680) 1.118 16.234 ( 3.644 0.151 -0.351) 3.664 ======================= Grid point 172 (81/185) ======================= q-point: ( 0.11 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.928 ( 9.839 -2.909 12.052) 15.828 1.071 ( 17.444 3.764 12.396) 21.728 1.325 ( 9.454 2.527 -3.397) 10.359 1.805 ( 13.617 0.974 -3.548) 14.105 1.966 ( 0.969 1.154 9.641) 9.758 2.002 ( -1.060 3.082 3.554) 4.822 2.212 ( 10.115 7.354 13.076) 18.093 2.397 ( -0.078 -9.990 -6.604) 11.976 2.639 ( 0.111 -4.002 3.339) 5.213 2.678 ( 3.630 -0.658 7.493) 8.352 2.917 ( -8.885 2.722 0.990) 9.345 3.103 ( 5.740 8.761 0.688) 10.497 3.171 ( 1.677 11.701 -6.117) 13.310 3.301 ( -5.781 -0.863 -8.496) 10.312 3.602 ( 8.160 2.596 -5.856) 10.374 3.921 ( 6.327 -1.723 3.604) 7.483 4.105 ( -0.670 -11.482 2.392) 11.748 4.264 ( 1.014 -11.118 3.612) 11.734 4.515 ( -2.507 -3.783 -6.253) 7.726 4.668 ( 0.985 -3.537 7.002) 7.907 4.731 ( -6.129 -2.879 -0.358) 6.781 4.971 ( -3.502 -1.182 0.282) 3.707 5.102 ( -11.693 4.367 -4.236) 13.181 5.254 ( -0.453 3.641 -9.034) 9.750 6.165 ( -4.142 1.865 0.130) 4.545 6.318 ( 3.383 5.080 2.029) 6.432 6.426 ( 1.995 -0.304 -2.248) 3.021 6.744 ( 3.866 -6.373 -3.929) 8.426 6.879 ( 3.104 -0.799 1.143) 3.403 7.187 ( -3.376 -6.774 -6.077) 9.707 7.592 ( -14.105 8.560 2.231) 16.650 8.220 ( 13.995 -0.658 4.546) 14.730 9.413 ( -8.129 0.791 8.147) 11.536 9.982 ( 0.137 -3.336 11.442) 11.919 10.286 ( 1.114 3.431 -6.295) 7.256 10.678 ( 5.265 -1.884 0.661) 5.631 12.389 ( 0.855 4.468 9.949) 10.940 13.480 ( 2.069 -10.647 -17.296) 20.416 14.736 ( -7.831 2.119 11.492) 14.067 14.865 ( -17.315 4.193 -3.094) 18.082 16.253 ( 6.056 0.376 0.423) 6.082 16.413 ( 14.759 -1.761 -2.610) 15.091 ======================= Grid point 173 (82/185) ======================= q-point: ( 0.22 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.160 ( 9.520 -0.739 0.909) 9.592 1.456 ( 9.163 10.241 1.548) 13.829 1.490 ( 15.298 2.358 9.043) 17.927 1.930 ( 0.213 1.572 -4.033) 4.334 1.987 ( 3.821 -0.482 -3.369) 5.117 2.086 ( 0.129 -3.684 5.492) 6.614 2.335 ( -0.687 -6.075 -5.380) 8.144 2.438 ( 8.728 -1.247 1.450) 8.935 2.596 ( -7.625 -1.593 5.116) 9.319 2.793 ( 4.890 3.553 2.947) 6.725 2.851 ( 2.371 2.390 -4.767) 5.836 3.055 ( -3.403 2.550 -10.405) 11.241 3.195 ( 0.442 5.415 2.242) 5.878 3.296 ( 9.856 9.029 2.963) 13.691 3.652 ( 2.583 -0.411 -4.774) 5.444 4.063 ( 3.522 -2.492 6.030) 7.415 4.101 ( 0.058 -3.855 1.733) 4.227 4.290 ( -1.173 -8.721 -0.655) 8.824 4.426 ( -3.372 -8.400 -2.261) 9.330 4.530 ( -10.432 -5.754 -5.342) 13.056 4.718 ( -2.417 -1.453 2.618) 3.847 4.924 ( -5.702 2.035 0.877) 6.117 4.978 ( 0.351 0.565 3.949) 4.005 5.193 ( 0.739 5.700 -2.600) 6.308 6.049 ( -6.604 2.994 -0.530) 7.271 6.400 ( 2.181 -1.062 -0.825) 2.562 6.473 ( 5.695 2.951 -0.091) 6.415 6.755 ( 0.690 -6.651 -2.385) 7.099 6.947 ( 3.555 -1.695 0.812) 4.022 7.063 ( -5.006 -6.098 -4.240) 8.957 7.368 ( -11.088 10.747 -1.969) 15.566 8.398 ( 1.052 -1.568 6.587) 6.852 9.378 ( -0.978 4.174 3.131) 5.309 10.147 ( 6.217 -3.298 1.943) 7.301 10.274 ( 3.864 3.856 0.792) 5.516 10.835 ( 7.995 -2.377 6.378) 10.500 12.539 ( 3.921 -2.553 12.295) 13.155 13.348 ( 1.489 -13.894 -17.318) 22.253 14.475 ( -20.751 7.943 -5.241) 22.828 14.689 ( -9.825 3.161 10.344) 14.612 16.378 ( 7.197 -0.081 0.545) 7.219 16.628 ( 12.760 -2.029 -3.170) 13.303 ======================= Grid point 174 (83/185) ======================= q-point: ( 0.33 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.286 ( 9.580 7.923 -7.481) 14.509 1.592 ( 1.091 10.570 5.243) 11.850 1.763 ( 5.922 1.780 5.356) 8.181 1.836 ( -4.984 0.444 -2.381) 5.541 1.970 ( -0.555 -3.951 -7.506) 8.500 2.064 ( 0.305 -2.107 -3.288) 3.917 2.197 ( -8.644 -6.261 -5.277) 11.907 2.440 ( -10.145 4.637 -1.085) 11.207 2.627 ( 8.463 -6.913 -3.642) 11.518 2.807 ( 6.400 4.715 -14.137) 16.219 2.972 ( 7.248 3.724 2.039) 8.400 3.033 ( 5.227 0.382 3.337) 6.213 3.232 ( 4.690 -3.577 -0.317) 5.908 3.480 ( 7.022 4.758 -0.354) 8.490 3.644 ( 1.591 3.113 0.027) 3.496 4.045 ( -11.797 -4.780 1.253) 12.790 4.143 ( -11.778 2.032 -2.213) 12.155 4.181 ( 1.012 -2.567 5.524) 6.174 4.318 ( 2.910 -2.156 -1.291) 3.845 4.485 ( 3.090 -6.535 -0.645) 7.258 4.668 ( -2.675 -2.568 -2.781) 4.636 4.905 ( -0.417 -2.472 4.951) 5.550 4.986 ( -0.841 -0.209 -1.489) 1.723 5.256 ( 1.818 5.059 9.457) 10.879 5.961 ( -3.415 2.045 1.135) 4.139 6.412 ( 1.383 -2.588 -2.082) 3.598 6.545 ( 1.186 2.636 -0.316) 2.908 6.739 ( 0.460 -6.662 -1.318) 6.806 6.913 ( -6.158 -2.996 -2.764) 7.385 7.033 ( 2.884 -2.259 -1.612) 4.003 7.217 ( -3.017 11.113 -0.745) 11.539 8.400 ( -6.754 -0.501 5.748) 8.883 9.419 ( 3.160 4.313 -0.270) 5.353 10.159 ( 4.370 -1.120 -11.379) 12.240 10.470 ( 6.379 0.189 14.040) 15.422 11.036 ( 5.733 -2.119 10.195) 11.887 12.690 ( 0.215 -8.788 6.579) 10.980 13.254 ( 5.160 -12.458 -10.710) 17.220 14.088 ( -15.995 11.537 -7.508) 21.102 14.608 ( -9.244 2.492 7.560) 12.199 16.495 ( 5.175 -0.128 1.148) 5.302 16.785 ( 8.700 -1.855 -3.024) 9.395 ======================= Grid point 175 (84/185) ======================= q-point: (-0.56 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.358 ( 4.526 14.986 -5.679) 16.652 1.475 ( -10.314 1.771 -6.013) 12.070 1.683 ( -8.292 0.433 -3.706) 9.093 1.824 ( -2.652 3.753 -8.760) 9.892 1.932 ( -1.074 -2.506 -0.337) 2.747 2.017 ( -2.732 -1.825 -3.230) 4.607 2.070 ( 3.633 -2.280 -0.725) 4.350 2.302 ( -1.822 0.447 -3.404) 3.887 2.651 ( 2.721 -0.293 -7.655) 8.130 2.711 ( -2.918 2.382 -13.022) 13.556 3.072 ( 3.721 -6.273 2.314) 7.652 3.268 ( 10.757 1.780 6.637) 12.764 3.336 ( 5.896 -6.673 -0.477) 8.917 3.517 ( -1.177 -0.871 -1.118) 1.842 3.668 ( -5.765 8.876 -2.384) 10.849 3.800 ( -4.954 -0.542 1.977) 5.362 3.944 ( -8.266 2.489 -2.312) 8.937 4.269 ( -0.149 -3.007 -2.325) 3.804 4.383 ( 3.196 1.963 9.410) 10.130 4.523 ( -2.236 -4.840 -3.408) 6.328 4.635 ( 9.843 -0.444 -6.984) 12.077 4.924 ( -0.129 1.948 -3.809) 4.280 5.009 ( 0.004 -6.535 12.433) 14.046 5.382 ( 0.840 2.562 11.422) 11.736 5.961 ( 0.956 0.755 3.250) 3.471 6.414 ( 1.189 -3.258 -2.282) 4.152 6.514 ( -3.267 0.895 0.046) 3.387 6.735 ( -1.240 1.233 -4.890) 5.194 6.787 ( -3.601 -4.235 -0.667) 5.598 7.021 ( 1.951 0.908 -6.752) 7.087 7.276 ( 4.003 6.289 7.548) 10.609 8.290 ( -10.042 0.694 2.420) 10.352 9.454 ( 1.338 3.489 -1.320) 3.963 10.130 ( 4.706 -1.304 -11.572) 12.560 10.698 ( 3.488 -3.524 16.391) 17.125 11.203 ( 1.441 -1.103 11.823) 11.961 12.602 ( -9.631 -10.179 -3.508) 14.446 13.342 ( 8.658 0.796 -6.589) 10.910 13.859 ( -1.817 4.082 -1.924) 4.864 14.509 ( -8.223 1.715 3.477) 9.091 16.568 ( 1.636 0.187 1.767) 2.415 16.869 ( 4.284 -1.838 -3.072) 5.583 ======================= Grid point 176 (85/185) ======================= q-point: (-0.44 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.230 ( -8.086 1.341 -1.894) 8.412 1.351 ( -9.235 6.518 2.472) 11.571 1.402 ( -12.728 0.843 -12.406) 17.794 1.707 ( 3.662 13.100 -13.125) 18.902 1.856 ( -3.368 -1.869 -3.195) 5.005 1.966 ( -1.473 -1.268 -3.926) 4.381 2.212 ( 8.100 -8.523 -0.373) 11.764 2.271 ( 3.998 -2.892 -4.981) 7.012 2.519 ( -9.130 -0.828 -3.990) 9.998 2.675 ( 8.167 7.576 -6.713) 13.006 3.021 ( -16.589 -1.817 2.373) 16.855 3.325 ( -1.514 -3.554 2.778) 4.758 3.341 ( -6.897 -4.148 -1.265) 8.147 3.534 ( 1.737 -1.278 -1.360) 2.549 3.638 ( 6.761 2.852 6.533) 9.824 3.817 ( -3.957 1.085 -2.132) 4.624 3.854 ( 4.320 4.216 -0.661) 6.072 4.201 ( -0.424 1.143 -7.073) 7.178 4.345 ( -5.929 -3.987 -8.562) 11.152 4.590 ( 5.292 1.428 9.166) 10.680 4.801 ( 14.948 -0.145 -7.973) 16.943 4.899 ( -0.297 0.108 0.205) 0.376 5.148 ( 1.420 -5.213 13.676) 14.705 5.481 ( -0.444 0.444 9.221) 9.242 6.040 ( 3.833 0.072 4.060) 5.584 6.410 ( 0.222 -3.560 -2.387) 4.292 6.445 ( -4.953 1.500 -0.079) 5.176 6.624 ( -2.038 5.515 -5.463) 8.026 6.761 ( -1.101 -5.980 -1.596) 6.287 7.012 ( 3.833 4.306 -5.956) 8.290 7.440 ( 4.001 3.525 11.661) 12.822 8.110 ( -11.003 2.209 -1.307) 11.298 9.437 ( -2.064 2.672 -0.862) 3.485 10.108 ( 4.570 -2.116 -10.732) 11.855 10.884 ( -0.793 -10.311 18.426) 21.130 11.284 ( -4.558 -2.070 9.992) 11.176 12.418 ( -6.841 3.069 0.474) 7.513 13.284 ( 0.562 12.125 -18.575) 22.190 14.035 ( 12.758 -8.478 9.558) 18.055 14.398 ( -4.953 1.496 -1.048) 5.279 16.580 ( -2.455 0.712 2.103) 3.311 16.876 ( -0.023 -2.358 -3.491) 4.213 ======================= Grid point 177 (86/185) ======================= q-point: (-0.33 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.001 ( -19.606 0.922 0.464) 19.633 1.101 ( -14.583 4.432 4.174) 15.803 1.321 ( 6.952 -1.040 0.381) 7.039 1.670 ( 2.820 4.455 -9.793) 11.122 1.768 ( -4.999 2.373 -3.242) 6.414 1.879 ( -3.369 2.223 -4.363) 5.944 2.264 ( 2.537 -9.614 -6.528) 11.894 2.317 ( -5.529 -1.472 -3.883) 6.915 2.389 ( 1.495 -6.407 3.762) 7.579 2.666 ( -13.213 13.295 -2.164) 18.868 2.782 ( 1.301 7.664 -1.530) 7.923 3.198 ( -5.608 -1.877 1.474) 6.094 3.364 ( -0.416 -11.059 3.273) 11.541 3.499 ( -1.984 -1.902 -2.038) 3.422 3.740 ( -1.173 -3.362 -3.956) 5.322 3.828 ( 2.980 6.965 5.726) 9.496 3.896 ( 3.325 -1.108 -3.033) 4.634 4.146 ( 1.603 6.029 -8.850) 10.827 4.189 ( -1.812 -3.511 -4.757) 6.184 4.744 ( 4.039 0.717 5.873) 7.164 4.904 ( 0.306 -1.044 0.063) 1.089 4.975 ( 12.440 -1.785 -6.784) 14.281 5.298 ( 2.347 -3.484 11.301) 12.056 5.536 ( -0.949 -0.649 5.143) 5.270 6.152 ( 4.659 0.342 3.426) 5.793 6.280 ( -9.290 3.508 -2.342) 10.202 6.440 ( 2.845 -3.246 -0.856) 4.400 6.590 ( 1.829 4.373 -3.333) 5.794 6.712 ( -2.589 -5.128 -1.233) 5.876 7.038 ( 5.023 8.056 -4.886) 10.677 7.596 ( -0.698 0.392 12.701) 12.726 7.915 ( -7.922 5.429 -2.636) 9.959 9.379 ( -4.284 2.022 1.103) 4.865 10.089 ( 4.215 -3.306 -9.667) 11.052 10.998 ( -6.159 -18.552 18.129) 26.660 11.212 ( -10.891 -7.861 4.224) 14.080 12.459 ( 5.902 24.477 11.474) 27.669 13.102 ( 0.008 9.579 -19.529) 21.752 14.177 ( -4.288 -5.433 -1.007) 6.995 14.495 ( 16.158 -2.188 4.938) 17.037 16.522 ( -6.383 1.216 2.090) 6.826 16.802 ( -4.386 -3.845 -4.647) 7.458 ======================= Grid point 178 (87/185) ======================= q-point: (-0.22 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.700 ( -18.070 -4.734 5.509) 19.476 0.969 ( -9.255 9.532 14.215) 19.457 1.482 ( -1.818 -5.041 -2.430) 5.884 1.574 ( -3.626 0.666 7.408) 8.274 1.702 ( 0.054 4.572 0.740) 4.632 1.741 ( -11.928 1.599 3.449) 12.520 2.006 ( -11.592 3.560 -7.019) 14.011 2.276 ( -10.107 -3.811 -0.132) 10.803 2.398 ( 0.568 -5.018 -1.514) 5.272 2.581 ( 6.248 11.350 1.375) 13.029 2.828 ( 9.746 3.941 -7.308) 12.803 3.200 ( 1.306 -1.323 -2.053) 2.769 3.326 ( -4.065 -5.295 -0.558) 6.698 3.463 ( -2.479 -4.317 5.284) 7.259 3.728 ( 2.056 -4.942 -2.083) 5.744 3.759 ( -6.285 5.615 -5.302) 9.957 3.937 ( 2.784 -3.215 -3.947) 5.802 4.148 ( 2.757 -0.164 0.362) 2.786 4.195 ( 4.682 4.244 -1.570) 6.511 4.819 ( -1.173 1.684 3.717) 4.246 4.896 ( -0.978 -4.753 0.040) 4.853 5.096 ( 9.098 -3.129 -7.729) 12.341 5.421 ( 1.585 -1.292 6.813) 7.113 5.537 ( -1.576 -0.436 -0.818) 1.828 6.110 ( -7.458 4.894 -0.906) 8.966 6.255 ( 3.904 1.599 2.704) 5.012 6.510 ( 5.455 -4.773 0.220) 7.252 6.589 ( -0.774 -0.061 -1.978) 2.125 6.677 ( 0.108 -1.476 1.316) 1.980 7.106 ( 7.717 12.049 -2.750) 14.570 7.578 ( -7.241 -0.513 1.399) 7.392 7.865 ( -2.077 7.365 7.832) 10.949 9.329 ( -3.948 1.365 4.423) 6.084 10.077 ( 4.023 -5.050 -8.211) 10.445 10.967 ( -12.350 -11.922 7.905) 18.898 11.037 ( -13.760 -23.498 5.700) 27.821 12.662 ( 3.143 33.606 -9.961) 35.192 13.104 ( 16.777 7.699 12.000) 22.017 14.066 ( -2.526 -2.811 -5.258) 6.475 14.831 ( 15.514 -2.395 4.603) 16.358 16.404 ( -9.188 1.479 1.747) 9.468 16.628 ( -10.232 -5.373 -6.365) 13.193 ======================= Grid point 179 (88/185) ======================= q-point: (-0.11 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.525 ( -10.803 -10.034 14.874) 20.943 0.884 ( -17.514 8.681 11.524) 22.691 1.291 ( -17.191 4.993 1.773) 17.989 1.524 ( -0.755 12.840 21.297) 24.880 1.669 ( -1.069 5.956 -1.637) 6.269 1.773 ( 1.196 -2.294 10.763) 11.069 2.013 ( -13.744 -2.599 -0.284) 13.991 2.068 ( 11.637 -0.542 10.171) 15.465 2.455 ( 4.772 -3.378 -0.201) 5.850 2.728 ( 7.207 11.558 -6.426) 15.061 2.924 ( 5.878 -9.406 -2.497) 11.370 3.162 ( 2.803 3.855 -6.007) 7.668 3.245 ( -5.460 0.122 -0.960) 5.545 3.508 ( 1.403 2.514 0.073) 2.880 3.575 ( -6.815 1.940 -3.791) 8.036 3.755 ( 1.338 -3.550 -0.028) 3.794 3.969 ( 5.031 -8.305 -2.386) 9.999 4.181 ( 1.202 -4.995 1.124) 5.259 4.317 ( 6.479 6.510 4.978) 10.447 4.775 ( -5.522 -2.725 1.134) 6.262 4.873 ( -1.930 -3.590 -0.547) 4.113 5.133 ( 2.847 -4.443 -7.146) 8.883 5.453 ( -3.030 1.661 1.464) 3.753 5.463 ( -2.541 0.889 -6.741) 7.259 6.039 ( -1.128 4.129 2.555) 4.985 6.338 ( 3.637 1.912 0.711) 4.170 6.512 ( -5.875 0.006 -0.460) 5.893 6.612 ( 7.084 -5.840 -2.772) 9.591 6.743 ( 3.359 -2.645 3.219) 5.352 7.270 ( 10.262 4.086 -1.304) 11.122 7.515 ( 4.181 7.735 1.086) 8.860 7.880 ( -6.895 6.415 9.609) 13.454 9.340 ( -1.236 0.402 8.074) 8.178 10.076 ( 2.609 -8.358 -5.083) 10.124 10.749 ( -26.198 -23.043 7.344) 35.654 10.801 ( -8.808 -4.250 -3.780) 10.485 12.472 ( -5.990 24.084 -11.633) 27.409 13.592 ( 14.352 -1.739 -2.007) 14.596 14.175 ( 20.059 4.649 12.114) 23.890 15.073 ( 8.048 -0.813 1.778) 8.282 16.258 ( -8.301 1.173 1.104) 8.456 16.356 ( -13.085 -2.367 -3.991) 13.883 ======================= Grid point 180 (89/185) ======================= q-point: ( 0.00 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.692 ( 10.686 12.019 8.437) 18.162 0.962 ( -4.883 11.443 9.164) 15.452 1.376 ( -0.405 11.278 0.254) 11.288 1.694 ( -1.811 -1.059 3.980) 4.499 1.844 ( 5.504 -2.494 5.892) 8.440 1.976 ( 5.963 1.018 5.578) 8.229 2.032 ( 10.285 2.480 9.044) 13.919 2.278 ( -0.017 5.323 9.131) 10.569 2.445 ( 2.985 -3.665 8.483) 9.711 2.696 ( -2.545 0.084 0.631) 2.624 3.056 ( -8.859 -5.157 3.486) 10.827 3.154 ( 7.582 9.134 0.493) 11.881 3.333 ( 7.014 4.587 -7.986) 11.576 3.482 ( -2.459 7.186 -7.333) 10.558 3.634 ( 4.893 3.391 -7.743) 9.767 3.666 ( 2.358 -12.644 10.826) 16.811 3.870 ( 4.245 -4.516 -5.000) 7.964 4.069 ( -2.002 -5.505 -1.399) 6.023 4.474 ( 1.017 -7.387 4.165) 8.541 4.522 ( -4.652 -10.374 -5.109) 12.465 4.771 ( -3.501 0.531 0.061) 3.542 5.012 ( -0.962 -2.091 -4.267) 4.848 5.373 ( -4.170 1.745 -6.491) 7.910 5.412 ( -4.611 2.894 -4.487) 7.055 6.177 ( 3.266 4.561 2.830) 6.283 6.403 ( 1.459 -0.648 -1.704) 2.335 6.465 ( -4.264 4.929 0.805) 6.567 6.595 ( 4.260 -3.416 -1.550) 5.676 6.796 ( 3.874 -0.664 -0.547) 3.968 7.157 ( -2.732 -7.170 -3.983) 8.646 7.908 ( -5.408 6.892 5.389) 10.285 7.971 ( 7.551 5.550 4.866) 10.560 9.417 ( -1.229 1.465 9.091) 9.290 9.830 ( -4.191 -8.245 8.064) 12.271 10.388 ( -3.807 0.718 -1.089) 4.025 10.619 ( -1.415 -3.370 -4.027) 5.438 12.605 ( -5.017 12.475 -9.189) 16.286 13.410 ( 0.123 -10.761 -16.619) 19.799 14.705 ( 6.747 5.651 12.883) 15.602 15.113 ( -3.908 -0.276 0.713) 3.982 16.204 ( 0.584 0.583 -0.046) 0.827 16.237 ( 1.580 0.138 -0.423) 1.641 ======================= Grid point 181 (90/185) ======================= q-point: ( 0.11 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.979 ( 12.072 9.030 7.871) 17.007 1.167 ( 16.361 6.365 9.238) 19.838 1.415 ( 5.256 7.300 0.332) 9.001 1.828 ( 12.884 0.459 1.099) 12.939 1.977 ( 3.359 -2.082 4.577) 6.047 2.075 ( 0.796 2.101 0.290) 2.266 2.229 ( 1.973 -5.294 3.691) 6.749 2.280 ( -0.440 2.968 4.077) 5.062 2.574 ( 1.424 -4.183 3.187) 5.448 2.723 ( 1.265 5.683 7.817) 9.747 2.969 ( -4.821 2.336 5.099) 7.396 3.234 ( -0.924 1.268 -3.062) 3.441 3.323 ( 0.822 9.530 -1.916) 9.755 3.442 ( 5.058 13.297 -6.830) 15.781 3.604 ( 0.930 -3.840 -5.448) 6.730 3.839 ( 4.219 -8.686 11.407) 14.946 3.925 ( 5.797 -4.113 -2.565) 7.556 4.053 ( 2.477 -9.936 -2.558) 10.555 4.378 ( -3.624 -9.357 -6.377) 11.889 4.485 ( -2.013 -13.537 -3.877) 14.225 4.720 ( -3.498 0.683 1.710) 3.953 4.964 ( -1.740 -0.888 -0.294) 1.976 5.197 ( -9.580 5.459 -2.942) 11.412 5.310 ( -1.258 2.300 -6.011) 6.558 6.240 ( -1.815 4.914 2.062) 5.630 6.393 ( -1.003 0.863 -1.202) 1.787 6.422 ( 1.850 1.746 -0.504) 2.594 6.642 ( 2.642 -3.130 -1.503) 4.363 6.858 ( 3.725 -1.352 -0.324) 3.976 7.053 ( -4.304 -7.206 -4.723) 9.631 7.766 ( -11.127 9.406 1.880) 14.691 8.201 ( 8.108 -1.517 7.121) 10.898 9.458 ( -2.494 4.068 7.196) 8.634 9.911 ( 4.200 -4.274 8.938) 10.761 10.341 ( 0.649 2.505 -4.230) 4.959 10.627 ( 5.326 -3.508 -1.005) 6.457 12.494 ( -2.820 6.395 -0.216) 6.993 13.241 ( -1.104 -13.593 -17.785) 22.412 14.795 ( -6.986 3.945 10.659) 13.341 14.939 ( -14.263 3.027 -1.034) 14.618 16.262 ( 5.913 0.582 -0.228) 5.946 16.374 ( 12.407 -2.219 -1.265) 12.667 ======================= Grid point 182 (91/185) ======================= q-point: ( 0.22 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.229 ( 11.623 7.631 1.884) 14.031 1.552 ( 14.713 4.258 7.254) 16.948 1.595 ( 14.244 4.388 4.312) 15.516 1.962 ( -2.923 0.705 -1.324) 3.286 1.993 ( 1.900 1.091 -4.486) 4.993 2.096 ( -2.043 3.185 1.793) 4.188 2.224 ( -2.773 -3.038 -0.173) 4.117 2.364 ( 6.750 -3.640 3.648) 8.492 2.566 ( 0.161 -4.038 -0.434) 4.064 2.857 ( 7.016 5.106 2.324) 8.983 2.957 ( 0.554 6.863 -0.998) 6.957 3.058 ( -7.058 -0.036 -10.172) 12.381 3.342 ( -4.805 7.343 0.853) 8.816 3.503 ( 6.401 10.926 -1.128) 12.713 3.593 ( 1.517 -5.138 0.994) 5.449 3.987 ( 4.868 -9.554 1.217) 10.792 4.013 ( 1.162 -2.129 7.385) 7.773 4.108 ( 4.854 -8.400 0.688) 9.726 4.281 ( -0.849 -7.102 -9.228) 11.675 4.382 ( -0.939 -8.998 -5.905) 10.803 4.667 ( -4.478 -2.129 1.377) 5.146 4.917 ( -4.476 -2.413 0.095) 5.086 5.059 ( -4.342 5.986 0.632) 7.422 5.266 ( -0.446 2.009 0.360) 2.089 6.148 ( -7.341 6.878 0.040) 10.060 6.375 ( 0.543 -1.580 -2.648) 3.131 6.499 ( 4.798 -1.582 1.842) 5.378 6.647 ( -1.110 -2.615 -0.987) 3.008 6.906 ( 1.129 -2.683 -2.030) 3.549 6.955 ( -0.675 -5.218 -2.514) 5.832 7.591 ( -9.604 12.672 0.302) 15.903 8.346 ( 0.673 -4.223 7.388) 8.537 9.489 ( 1.148 7.348 2.490) 7.843 10.073 ( 6.426 -4.800 1.041) 8.088 10.349 ( 3.714 4.127 0.762) 5.604 10.768 ( 8.543 -4.705 4.087) 10.575 12.498 ( -0.085 -1.104 5.405) 5.517 13.061 ( -1.396 -15.282 -14.706) 21.254 14.621 ( -16.870 6.797 -2.479) 18.356 14.752 ( -9.675 2.916 7.448) 12.553 16.381 ( 7.298 0.524 0.025) 7.317 16.576 ( 11.888 -3.318 -1.803) 12.473 ======================= Grid point 183 (92/185) ======================= q-point: ( 0.33 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.436 ( 12.550 7.267 -1.847) 14.619 1.799 ( 4.976 1.724 -3.169) 6.146 1.821 ( 8.479 4.576 4.043) 10.449 1.833 ( -7.941 0.676 2.113) 8.245 1.924 ( -11.344 7.479 -3.430) 14.014 2.049 ( 1.847 -2.429 -2.327) 3.838 2.111 ( -4.035 -0.213 -2.035) 4.524 2.459 ( -3.272 -3.584 1.416) 5.056 2.593 ( 4.232 3.677 -8.768) 10.407 2.906 ( 4.062 3.342 -12.525) 13.585 2.978 ( 5.780 -1.827 0.426) 6.077 3.019 ( 5.900 1.058 -1.432) 6.162 3.222 ( -3.373 1.142 -0.924) 3.679 3.517 ( -1.640 -1.194 -0.440) 2.075 3.718 ( 5.675 2.854 5.139) 8.171 3.944 ( -8.400 -5.867 -3.269) 10.755 4.076 ( -0.616 -4.579 -3.071) 5.548 4.163 ( 1.123 -7.843 1.483) 8.061 4.262 ( 5.349 3.321 6.126) 8.785 4.423 ( 7.316 -1.199 -2.779) 7.918 4.597 ( -2.712 -3.356 -2.002) 4.757 4.857 ( -3.592 -3.484 4.379) 6.649 5.009 ( -1.980 2.810 -1.436) 3.725 5.303 ( -0.050 -0.193 7.472) 7.475 6.039 ( -4.846 5.884 0.485) 7.639 6.362 ( 0.961 -2.568 -2.907) 3.997 6.583 ( -2.109 0.967 0.815) 2.460 6.596 ( 1.212 -7.459 1.316) 7.671 6.860 ( -0.735 -2.224 -4.373) 4.961 6.981 ( 2.330 -3.136 -0.936) 4.017 7.470 ( -4.739 15.093 1.803) 15.921 8.364 ( -5.084 -3.748 5.474) 8.358 9.534 ( 2.747 7.591 -1.083) 8.145 10.113 ( 4.058 -3.913 -9.139) 10.738 10.490 ( 5.191 2.228 9.436) 10.997 10.965 ( 7.164 -5.576 7.701) 11.905 12.533 ( -2.028 -6.306 1.768) 6.856 12.999 ( 5.887 -13.726 -1.631) 15.023 14.303 ( -14.369 10.430 -6.795) 19.011 14.647 ( -9.151 1.119 4.715) 10.355 16.498 ( 5.567 0.677 0.864) 5.674 16.734 ( 8.233 -3.470 -1.897) 9.133 ======================= Grid point 184 (93/185) ======================= q-point: (-0.56 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.507 ( -7.261 1.911 -8.175) 11.100 1.650 ( -3.666 8.423 -5.778) 10.853 1.724 ( -10.958 7.364 -0.050) 13.202 1.787 ( 1.045 -4.630 0.362) 4.760 1.941 ( -1.334 2.649 -5.667) 6.396 2.009 ( 5.934 3.002 2.156) 6.991 2.102 ( -1.813 3.030 -4.735) 5.906 2.319 ( -6.113 1.582 -4.769) 7.913 2.627 ( 5.536 -1.323 -3.504) 6.684 2.734 ( -5.735 -1.356 -13.474) 14.706 2.999 ( 1.915 -0.307 -5.330) 5.672 3.220 ( 10.063 -5.040 -1.702) 11.382 3.298 ( 7.374 1.344 6.221) 9.741 3.483 ( -2.237 -3.745 -0.687) 4.416 3.714 ( -11.794 -3.307 1.521) 12.342 3.850 ( 4.504 4.312 0.043) 6.235 3.990 ( -3.887 1.859 -4.085) 5.938 4.201 ( 1.241 -2.549 -1.226) 3.089 4.394 ( -0.043 -1.594 -0.130) 1.599 4.481 ( 3.382 1.402 3.842) 5.308 4.628 ( 8.999 -0.166 -2.394) 9.314 4.864 ( -2.314 -7.277 5.285) 9.286 4.988 ( 0.707 3.370 2.556) 4.288 5.379 ( -0.468 -2.940 9.176) 9.646 6.006 ( -0.139 4.009 1.875) 4.428 6.351 ( 0.915 -3.412 -3.103) 4.702 6.525 ( -2.872 0.110 0.983) 3.038 6.654 ( 0.568 -5.488 2.870) 6.219 6.797 ( -1.675 1.607 -4.891) 5.414 6.998 ( 2.354 -2.654 -3.006) 4.650 7.475 ( 0.868 13.795 5.866) 15.016 8.284 ( -7.996 -1.934 2.201) 8.517 9.549 ( 0.666 6.356 -2.486) 6.857 10.083 ( 3.355 -3.917 -10.518) 11.714 10.646 ( 1.239 -1.265 10.962) 11.104 11.127 ( 2.220 -7.233 7.937) 10.966 12.484 ( -1.878 -1.187 0.717) 2.335 13.227 ( 13.857 -11.131 8.538) 19.719 14.019 ( -9.032 10.921 -9.694) 17.170 14.523 ( -7.881 -0.652 0.254) 7.913 16.579 ( 2.241 1.076 1.678) 3.000 16.820 ( 3.653 -3.352 -2.022) 5.354 ======================= Grid point 185 (94/185) ======================= q-point: (-0.44 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.267 ( -8.755 2.388 -3.862) 9.862 1.429 ( -14.228 1.999 -9.317) 17.124 1.522 ( -11.479 9.306 1.032) 14.813 1.784 ( -3.211 -3.359 0.410) 4.665 1.938 ( -5.892 1.097 -9.273) 11.042 1.992 ( 7.728 10.669 -4.664) 13.976 2.107 ( 2.287 -0.829 -1.336) 2.776 2.212 ( 1.977 -3.230 -4.950) 6.232 2.501 ( -8.039 -0.498 -5.649) 9.838 2.763 ( 8.492 0.034 -0.339) 8.499 2.964 ( -0.626 -1.106 -4.650) 4.820 3.266 ( -2.222 -3.184 -0.936) 3.994 3.309 ( -6.977 -1.381 -4.521) 8.427 3.499 ( 0.771 -2.902 0.620) 3.066 3.657 ( 2.025 0.911 7.183) 7.518 3.838 ( -6.201 2.064 -1.070) 6.622 3.948 ( 4.350 4.382 -3.671) 7.183 4.193 ( -0.562 -0.528 -1.325) 1.533 4.312 ( -0.543 0.073 -9.302) 9.318 4.610 ( 3.323 -0.321 6.541) 7.344 4.772 ( 7.846 -2.739 -0.487) 8.325 4.874 ( 1.764 -3.428 0.427) 3.879 5.092 ( 4.037 0.543 8.755) 9.657 5.446 ( -0.749 -4.156 7.539) 8.641 6.061 ( 3.686 2.337 2.746) 5.157 6.343 ( 1.615 -3.488 -2.976) 4.861 6.486 ( -4.180 2.562 1.560) 5.145 6.660 ( -1.591 -3.790 1.344) 4.325 6.726 ( -1.132 4.122 -4.595) 6.276 7.029 ( 4.559 -2.069 -2.816) 5.744 7.581 ( 2.392 10.796 9.136) 14.344 8.144 ( -8.390 0.726 -0.876) 8.466 9.511 ( -2.484 5.104 -2.009) 6.021 10.040 ( 2.396 -5.216 -9.634) 11.215 10.727 ( -3.999 -5.363 11.684) 13.464 11.159 ( -5.114 -9.971 4.118) 11.938 12.562 ( 6.569 11.534 9.522) 16.336 13.470 ( 5.301 3.623 -5.209) 8.268 13.903 ( 4.829 -2.174 1.956) 5.645 14.392 ( -3.943 -2.272 -4.581) 6.457 16.601 ( -1.835 1.539 2.049) 3.152 16.820 ( -1.350 -3.391 -2.433) 4.386 ======================= Grid point 186 (95/185) ======================= q-point: (-0.33 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( -18.565 4.657 -0.970) 19.165 1.210 ( -4.175 3.746 2.947) 6.336 1.349 ( -6.103 5.507 2.083) 8.480 1.682 ( -5.270 0.945 -4.595) 7.055 1.801 ( -3.102 -1.048 -4.655) 5.691 1.999 ( -0.531 0.916 -3.793) 3.937 2.116 ( 2.619 2.118 -2.180) 4.012 2.270 ( 0.163 -1.978 -0.680) 2.098 2.320 ( -7.449 -1.607 -2.143) 7.916 2.823 ( -6.533 -0.738 4.073) 7.734 2.937 ( 6.831 9.330 -8.914) 14.600 3.180 ( -2.423 -0.226 0.135) 2.437 3.215 ( -1.071 -3.441 -0.614) 3.656 3.461 ( -3.575 -3.234 -1.582) 5.073 3.644 ( -3.944 -2.827 -3.326) 5.883 3.853 ( 4.130 -0.801 1.398) 4.433 3.949 ( -1.663 1.802 -3.265) 4.084 4.158 ( -0.749 2.192 -0.796) 2.449 4.258 ( 2.496 5.025 -5.941) 8.172 4.711 ( 1.802 -6.273 5.311) 8.415 4.849 ( 0.033 -3.102 2.779) 4.165 4.947 ( 8.740 -1.973 -6.211) 10.902 5.254 ( 5.303 -0.487 7.754) 9.406 5.494 ( -0.051 -3.641 4.260) 5.604 6.168 ( 5.395 1.510 2.543) 6.153 6.342 ( -1.254 0.785 -2.020) 2.503 6.403 ( -3.241 1.382 -0.124) 3.526 6.642 ( -2.626 -2.370 0.036) 3.538 6.683 ( 1.219 4.942 -2.488) 5.665 7.098 ( 5.766 -1.746 -2.130) 6.390 7.689 ( -0.938 8.975 9.118) 12.828 8.010 ( -4.823 4.076 -0.791) 6.364 9.437 ( -4.573 4.167 0.083) 6.187 9.988 ( 0.852 -7.377 -7.705) 10.701 10.724 ( -8.904 -8.948 11.851) 17.314 11.049 ( -9.132 -9.432 0.577) 13.142 12.882 ( 15.329 19.628 17.299) 30.323 13.334 ( -2.440 13.685 -19.626) 24.050 14.051 ( -0.031 -7.154 2.013) 7.432 14.423 ( 14.086 -5.503 0.727) 15.140 16.552 ( -5.922 1.784 1.875) 6.463 16.726 ( -6.574 -3.740 -3.131) 8.185 ======================= Grid point 187 (96/185) ======================= q-point: (-0.22 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.737 ( -17.995 8.589 2.775) 20.132 1.158 ( -7.387 8.857 11.872) 16.552 1.422 ( 3.529 -1.316 4.524) 5.887 1.596 ( -0.094 3.333 3.668) 4.957 1.728 ( -3.412 -0.089 -1.535) 3.743 1.875 ( -10.065 5.385 -2.595) 11.706 2.072 ( -7.307 4.685 2.784) 9.116 2.198 ( -8.873 -1.597 0.392) 9.024 2.257 ( 3.031 -6.719 1.078) 7.449 2.743 ( -3.243 0.354 0.840) 3.368 2.974 ( 7.521 11.649 -6.615) 15.363 3.190 ( 0.634 -0.022 -2.606) 2.682 3.262 ( 4.862 -0.474 -0.885) 4.964 3.377 ( -3.754 -7.222 4.375) 9.241 3.600 ( 2.716 -4.587 -4.526) 6.994 3.799 ( -5.737 -0.328 -6.568) 8.727 3.904 ( 0.599 -1.427 -3.955) 4.247 4.170 ( -1.492 4.018 2.931) 5.192 4.280 ( 4.698 3.864 -1.491) 6.263 4.738 ( -3.780 -12.100 3.045) 13.037 4.854 ( -0.935 1.358 0.796) 1.831 5.025 ( 7.210 -4.075 -7.358) 11.079 5.401 ( 4.695 -0.564 4.490) 6.520 5.516 ( 0.061 -1.716 -0.226) 1.732 6.216 ( -4.236 5.427 -2.478) 7.317 6.301 ( 2.569 3.589 4.354) 6.199 6.428 ( 4.183 -3.536 -1.434) 5.662 6.581 ( -3.064 -0.826 -0.448) 3.204 6.705 ( 2.309 3.558 -0.973) 4.352 7.175 ( 4.813 -3.443 -1.753) 6.172 7.699 ( -2.516 11.429 3.174) 12.126 7.990 ( -1.423 5.413 5.532) 7.870 9.372 ( -4.406 3.287 3.420) 6.474 9.928 ( -1.297 -10.018 -4.200) 10.940 10.641 ( -12.188 -9.566 9.829) 18.348 10.884 ( -9.053 -6.800 -1.300) 11.397 13.085 ( -3.743 12.904 -21.049) 24.972 13.345 ( 17.055 15.193 13.240) 26.401 14.026 ( 3.847 0.238 -1.751) 4.233 14.758 ( 17.155 -5.519 5.157) 18.744 16.436 ( -8.965 1.714 1.250) 9.213 16.540 ( -11.075 -3.450 -3.389) 12.085 ======================= Grid point 188 (97/185) ======================= q-point: (-0.11 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.556 ( -5.970 13.414 7.888) 16.667 1.092 ( -13.688 12.072 8.457) 20.115 1.430 ( -6.259 8.111 1.978) 10.435 1.672 ( 0.305 -2.397 8.363) 8.705 1.744 ( 2.478 0.199 11.492) 11.758 1.780 ( 3.012 5.515 0.660) 6.319 1.971 ( -9.034 1.093 -2.649) 9.477 2.110 ( 1.627 7.362 14.109) 15.997 2.358 ( 2.323 -5.284 5.450) 7.938 2.739 ( 0.826 -8.074 -2.456) 8.480 3.034 ( 5.816 16.420 -3.441) 17.756 3.174 ( -3.945 -4.018 -1.221) 5.761 3.257 ( 5.283 0.426 -3.665) 6.444 3.494 ( 4.629 -4.575 9.359) 11.400 3.609 ( -1.123 -2.388 -4.679) 5.372 3.646 ( 0.477 -0.600 -8.821) 8.854 3.873 ( 1.950 -2.496 -6.431) 7.169 4.131 ( -3.942 0.712 0.357) 4.022 4.377 ( 4.441 -0.110 3.643) 5.745 4.653 ( -6.536 -11.829 -0.647) 13.530 4.828 ( -2.540 0.429 -0.179) 2.582 5.050 ( 2.939 -4.046 -6.590) 8.273 5.464 ( 0.710 -0.072 -4.691) 4.745 5.489 ( -1.886 1.296 -0.125) 2.292 6.142 ( -1.581 6.322 0.277) 6.523 6.377 ( 1.868 1.837 1.736) 3.143 6.486 ( 3.272 -2.346 -1.810) 4.414 6.550 ( -0.222 -0.727 0.902) 1.180 6.741 ( 3.033 1.695 -0.828) 3.572 7.208 ( 0.702 -6.627 -2.453) 7.101 7.748 ( 6.049 12.781 3.183) 14.494 8.000 ( -5.068 5.525 6.706) 10.059 9.363 ( -2.081 2.199 7.054) 7.677 9.868 ( -4.339 -11.581 1.864) 12.507 10.502 ( -10.905 -4.823 4.838) 12.868 10.726 ( -6.536 -4.675 -3.145) 8.629 12.823 ( -5.195 14.343 -17.780) 23.428 13.521 ( 2.803 -5.721 -9.617) 11.536 14.322 ( 19.680 10.667 13.939) 26.370 15.039 ( 9.783 -3.068 3.127) 10.719 16.282 ( -8.643 1.223 -0.107) 8.730 16.324 ( -9.470 -0.969 -1.309) 9.609 ======================= Grid point 189 (98/185) ======================= q-point: ( 0.00 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.988 ( 10.991 16.616 -1.084) 19.952 1.184 ( -4.594 10.953 4.480) 12.694 1.500 ( -0.472 -2.175 7.722) 8.036 1.625 ( 8.590 -6.426 -0.202) 10.730 1.841 ( -5.730 7.336 5.060) 10.594 1.985 ( 8.453 1.313 5.155) 9.988 2.055 ( 3.836 1.032 5.433) 6.730 2.324 ( -3.019 -7.384 6.151) 10.074 2.537 ( 3.628 15.797 11.185) 19.693 2.703 ( 3.648 1.016 6.104) 7.183 2.912 ( -4.743 -7.954 6.442) 11.281 3.238 ( 0.453 -5.640 -1.644) 5.892 3.379 ( 4.413 -7.629 7.162) 11.356 3.463 ( 9.421 6.304 -5.763) 12.717 3.600 ( -0.561 2.884 -6.870) 7.472 3.748 ( 6.668 7.967 -6.354) 12.178 3.816 ( 2.990 -1.125 -5.929) 6.735 4.043 ( -7.926 2.426 -2.159) 8.566 4.260 ( -1.113 -15.215 -4.519) 15.911 4.310 ( -5.988 -9.317 0.617) 11.092 4.822 ( -1.569 3.693 -2.636) 4.801 4.964 ( -0.070 -3.212 -3.479) 4.736 5.408 ( -2.660 2.013 -5.225) 6.199 5.450 ( -4.042 0.840 -3.187) 5.215 6.259 ( 2.093 3.840 -0.035) 4.373 6.375 ( 0.573 -2.181 -2.527) 3.387 6.549 ( 0.291 3.118 2.787) 4.192 6.571 ( 2.381 0.459 0.874) 2.577 6.803 ( 1.985 2.068 -3.092) 4.216 7.019 ( -2.824 -7.388 -3.233) 8.545 8.018 ( -4.169 4.477 5.004) 7.904 8.052 ( 1.018 2.766 4.992) 5.797 9.474 ( 0.036 4.378 8.147) 9.248 9.693 ( -0.150 -6.659 7.941) 10.364 10.414 ( -1.467 2.241 -2.217) 3.477 10.547 ( -0.725 -4.101 -3.967) 5.752 12.818 ( -4.675 10.442 -15.012) 18.875 13.205 ( -2.047 -10.712 -17.953) 21.005 14.839 ( 3.674 7.915 9.998) 13.271 15.078 ( -1.599 -3.506 2.927) 4.840 16.215 ( 0.373 0.577 -0.527) 0.866 16.236 ( 0.598 -0.324 -0.623) 0.922 ======================= Grid point 190 (99/185) ======================= q-point: ( 0.11 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.220 ( 13.901 13.794 -0.119) 19.584 1.302 ( 13.233 7.428 5.626) 16.185 1.572 ( 0.890 7.703 2.666) 8.200 1.801 ( 14.227 -4.886 2.530) 15.254 1.868 ( 2.771 -3.450 2.843) 5.260 2.110 ( -1.301 0.510 1.863) 2.328 2.156 ( 2.500 -2.353 7.503) 8.251 2.298 ( -4.527 -6.523 5.410) 9.607 2.616 ( -0.857 13.062 0.324) 13.094 2.837 ( 3.776 5.480 7.630) 10.125 2.980 ( 2.387 -1.781 8.471) 8.979 3.203 ( -1.254 -5.420 -6.201) 8.331 3.456 ( -2.168 -5.254 4.034) 6.970 3.539 ( -0.386 7.280 0.075) 7.291 3.631 ( 11.651 -0.024 -1.961) 11.815 3.742 ( -2.651 7.469 -4.673) 9.201 3.871 ( 6.940 -4.255 -1.999) 8.382 3.948 ( 2.361 -0.115 -3.431) 4.167 4.186 ( -1.897 -10.668 -3.566) 11.407 4.220 ( -1.288 -13.687 -6.171) 15.069 4.756 ( -3.446 3.127 -2.382) 5.227 4.916 ( -2.124 -3.945 -2.561) 5.161 5.291 ( -6.718 4.135 -2.077) 8.158 5.343 ( -3.167 1.101 -3.912) 5.152 6.299 ( 1.106 1.300 0.462) 1.768 6.358 ( 0.669 -2.517 -3.348) 4.242 6.514 ( -5.002 6.475 1.705) 8.358 6.629 ( 1.903 0.692 1.441) 2.485 6.831 ( 3.791 -1.309 -2.120) 4.536 6.923 ( -3.438 -6.341 -4.732) 8.626 7.934 ( -7.706 8.174 3.263) 11.698 8.156 ( 2.192 -3.428 7.019) 8.112 9.560 ( 1.703 6.464 6.642) 9.423 9.815 ( 5.253 -5.976 7.363) 10.841 10.392 ( 1.778 3.199 -3.053) 4.766 10.550 ( 4.728 -4.505 -2.313) 6.928 12.626 ( -4.621 7.736 -8.541) 12.415 12.995 ( -3.363 -12.124 -16.956) 21.114 14.874 ( -7.721 4.168 7.858) 11.778 14.968 ( -11.820 -0.024 1.372) 11.900 16.276 ( 6.527 0.953 -0.628) 6.626 16.333 ( 9.928 -2.009 -0.819) 10.162 ======================= Grid point 191 (100/185) ======================= q-point: ( 0.22 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.421 ( 9.154 11.593 0.184) 14.773 1.632 ( 15.987 1.978 2.188) 16.257 1.664 ( 7.658 5.380 4.132) 10.230 1.918 ( 3.788 -5.630 -1.413) 6.931 2.023 ( -4.104 2.349 0.303) 4.738 2.118 ( 9.550 0.914 1.824) 9.766 2.209 ( -6.192 -1.240 5.994) 8.707 2.289 ( 1.673 -7.962 3.491) 8.853 2.598 ( 3.002 11.525 -1.984) 12.074 2.955 ( 3.378 3.076 -1.324) 4.756 3.051 ( 0.916 -0.090 -3.732) 3.844 3.070 ( -5.815 2.738 -0.819) 6.480 3.386 ( -6.790 -2.169 -0.238) 7.132 3.524 ( -4.502 2.786 0.737) 5.345 3.663 ( -0.755 -3.505 0.304) 3.598 3.817 ( 10.731 0.694 -2.561) 11.054 3.936 ( 2.161 -10.437 -4.796) 11.688 4.014 ( 3.472 1.417 0.617) 3.800 4.160 ( 5.444 -5.064 -2.947) 7.998 4.244 ( 9.037 -5.691 -0.116) 10.681 4.665 ( -5.465 2.133 -0.534) 5.891 4.845 ( -3.835 -5.107 -1.593) 6.582 5.166 ( -5.514 5.087 -1.327) 7.618 5.279 ( -2.641 -0.550 0.639) 2.772 6.261 ( -5.194 3.780 -0.602) 6.452 6.340 ( 0.238 -2.264 -2.911) 3.696 6.470 ( -0.852 1.544 1.656) 2.419 6.631 ( -3.631 -1.506 1.342) 4.154 6.849 ( 0.850 -2.435 -4.787) 5.437 6.881 ( 3.351 -2.680 -1.150) 4.442 7.834 ( -6.919 12.704 3.050) 14.784 8.234 ( -0.965 -7.669 7.036) 10.453 9.645 ( 3.187 8.857 1.881) 9.600 9.961 ( 5.898 -7.018 0.737) 9.197 10.434 ( 4.808 5.080 0.816) 7.042 10.663 ( 8.098 -6.279 1.780) 10.400 12.514 ( -2.865 3.037 -1.607) 4.474 12.801 ( -2.834 -11.972 -11.282) 16.693 14.723 ( -14.118 4.087 0.235) 14.699 14.787 ( -10.556 0.705 4.466) 11.484 16.401 ( 7.886 1.737 -0.371) 8.084 16.509 ( 10.530 -3.615 -0.928) 11.171 ======================= Grid point 192 (101/185) ======================= q-point: ( 0.33 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.557 ( 7.769 5.778 -2.392) 9.973 1.751 ( 0.624 -4.395 -4.444) 6.281 1.860 ( 6.023 4.433 1.739) 7.678 1.892 ( -6.456 3.752 2.226) 7.792 1.996 ( -2.178 -2.152 1.432) 3.380 2.111 ( -0.274 -1.854 -1.889) 2.661 2.184 ( -2.056 12.580 -0.599) 12.761 2.384 ( 5.049 -3.075 0.619) 5.944 2.681 ( 1.147 5.220 -8.134) 9.733 2.851 ( 0.087 -4.539 -5.018) 6.767 3.006 ( -1.443 -1.611 -3.918) 4.475 3.063 ( 3.489 3.695 -3.484) 6.162 3.292 ( 0.252 7.563 -4.103) 8.608 3.443 ( -6.407 -3.977 5.347) 9.244 3.678 ( -1.939 -7.449 2.599) 8.124 3.822 ( -0.312 -8.440 -5.090) 9.861 3.995 ( 7.794 -2.222 -5.675) 9.894 4.075 ( 7.110 -0.604 -2.901) 7.703 4.339 ( 8.448 3.760 8.253) 12.394 4.432 ( 9.620 1.589 0.578) 9.767 4.560 ( -6.479 0.045 1.526) 6.656 4.765 ( -4.469 -6.245 0.639) 7.705 5.082 ( -2.939 4.722 -0.669) 5.602 5.263 ( -2.082 -3.619 4.586) 6.202 6.156 ( -5.216 5.858 -0.441) 7.856 6.312 ( -0.336 -2.933 -2.778) 4.054 6.495 ( 0.533 -2.421 2.690) 3.658 6.570 ( -3.341 -2.433 1.649) 4.450 6.840 ( 1.974 0.322 -4.027) 4.497 6.920 ( 2.182 -3.151 -1.066) 3.978 7.765 ( -4.467 15.636 3.842) 16.709 8.248 ( -4.002 -8.663 5.383) 10.956 9.694 ( 2.633 9.066 -2.500) 9.766 10.011 ( 3.488 -6.798 -6.569) 10.077 10.559 ( 5.060 5.076 5.352) 8.946 10.832 ( 7.095 -8.106 4.560) 11.698 12.484 ( -0.829 1.309 1.479) 2.142 12.757 ( 4.600 -11.635 1.801) 12.641 14.470 ( -12.709 7.301 -4.106) 15.221 14.641 ( -9.850 -1.804 1.659) 10.150 16.525 ( 6.144 2.272 0.492) 6.569 16.660 ( 7.580 -4.229 -0.797) 8.717 ======================= Grid point 193 (102/185) ======================= q-point: (-0.56 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.542 ( -6.635 1.972 -7.706) 10.359 1.639 ( -5.089 -3.258 -8.648) 10.550 1.779 ( -6.775 3.469 3.516) 8.385 1.886 ( -7.311 1.901 0.298) 7.560 1.971 ( 5.503 3.636 -0.628) 6.626 2.109 ( -1.287 -1.496 -2.729) 3.368 2.171 ( 2.028 10.452 -3.597) 11.238 2.355 ( -7.856 1.453 -4.916) 9.381 2.623 ( 6.254 1.051 -4.076) 7.539 2.684 ( -7.214 -2.504 -8.299) 11.278 3.030 ( 0.907 1.374 -9.291) 9.436 3.141 ( 8.582 -4.006 -1.930) 9.666 3.323 ( 3.203 1.169 2.934) 4.498 3.377 ( -2.191 -5.223 -4.194) 7.048 3.657 ( -2.412 -0.739 6.811) 7.263 3.853 ( 3.197 -4.482 2.264) 5.953 4.032 ( 3.762 3.652 -6.369) 8.250 4.184 ( 6.865 -1.400 -2.969) 7.609 4.391 ( -6.680 3.120 -2.528) 7.794 4.520 ( 1.511 1.238 7.288) 7.545 4.628 ( 7.366 0.158 1.278) 7.478 4.726 ( -0.602 -6.887 2.771) 7.448 5.065 ( 0.482 4.809 2.414) 5.403 5.288 ( -0.971 -6.100 6.452) 8.932 6.099 ( -1.028 5.459 0.319) 5.564 6.282 ( 0.141 -3.967 -2.762) 4.836 6.519 ( -0.257 -0.363 2.587) 2.625 6.574 ( -0.427 -3.128 4.427) 5.437 6.828 ( 0.659 1.956 -3.683) 4.222 6.939 ( 1.566 -3.407 -1.326) 3.978 7.756 ( -1.347 15.083 5.002) 15.948 8.201 ( -5.632 -7.064 2.865) 9.478 9.686 ( 0.181 7.997 -4.310) 9.086 9.982 ( 1.584 -6.669 -8.531) 10.943 10.667 ( 0.873 3.593 5.890) 6.955 10.954 ( 1.798 -10.089 3.733) 10.906 12.552 ( 5.375 7.606 7.413) 11.904 12.986 ( 13.161 -13.455 12.037) 22.341 14.217 ( -9.570 9.602 -8.698) 16.107 14.478 ( -8.257 -4.037 -2.984) 9.663 16.613 ( 2.777 2.518 1.303) 3.969 16.748 ( 3.254 -4.086 -0.697) 5.269 ======================= Grid point 194 (103/185) ======================= q-point: (-0.44 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.316 ( -8.884 2.851 -5.553) 10.858 1.429 ( -9.648 -2.105 -9.251) 13.531 1.655 ( -9.465 4.613 1.723) 10.670 1.757 ( -7.212 -0.213 0.828) 7.263 1.963 ( -9.343 2.476 -7.095) 11.990 2.092 ( 4.906 1.261 1.221) 5.211 2.108 ( -4.989 -0.639 -8.557) 9.926 2.237 ( 4.433 3.120 -2.508) 5.973 2.547 ( -4.319 6.758 -4.081) 8.999 2.729 ( 4.748 -1.269 1.153) 5.048 2.969 ( 4.262 -0.459 -7.774) 8.877 3.143 ( -0.981 -10.349 -7.978) 13.104 3.291 ( -2.364 1.041 -2.096) 3.326 3.419 ( 0.815 -4.579 0.428) 4.670 3.724 ( 2.321 5.686 5.946) 8.548 3.904 ( -1.450 1.849 1.579) 2.832 4.001 ( -1.353 3.925 -4.412) 6.058 4.231 ( 0.054 3.605 1.511) 3.909 4.304 ( 3.744 -1.079 -8.396) 9.257 4.533 ( -4.991 -7.385 6.601) 11.091 4.741 ( 5.461 -0.115 -0.498) 5.485 4.797 ( 4.507 -3.693 1.939) 6.141 5.145 ( 4.246 4.094 5.082) 7.786 5.343 ( 0.599 -6.122 5.963) 8.567 6.125 ( 3.153 4.106 0.717) 5.226 6.277 ( 2.245 -3.597 -2.685) 5.019 6.532 ( -2.374 2.061 3.390) 4.623 6.600 ( -0.964 -2.416 3.498) 4.359 6.800 ( -0.036 3.911 -2.937) 4.891 6.964 ( 2.642 -4.283 -0.584) 5.066 7.804 ( 0.681 11.919 6.107) 13.410 8.119 ( -5.347 -3.658 0.767) 6.524 9.626 ( -2.701 6.984 -3.673) 8.341 9.916 ( -0.489 -7.544 -7.546) 10.681 10.695 ( -3.682 1.813 5.713) 7.035 10.957 ( -3.832 -10.574 1.481) 11.344 12.817 ( 12.918 14.816 14.567) 24.466 13.364 ( 14.419 -11.947 12.582) 22.560 13.998 ( -4.008 9.282 -10.846) 14.828 14.314 ( -4.138 -5.937 -7.897) 10.711 16.638 ( -1.501 2.425 1.563) 3.252 16.754 ( -1.801 -3.488 -0.952) 4.039 ======================= Grid point 195 (104/185) ======================= q-point: (-0.33 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.143 ( -12.197 4.177 -0.414) 12.899 1.223 ( -3.049 -0.812 -1.046) 3.324 1.487 ( -10.582 6.524 2.561) 12.692 1.708 ( -0.429 -4.744 2.178) 5.238 1.766 ( -5.297 4.296 -5.494) 8.758 1.951 ( -4.143 -1.605 -4.514) 6.333 2.133 ( -0.290 -0.893 -0.760) 1.208 2.269 ( -5.346 -3.414 -2.239) 6.726 2.448 ( -0.924 14.910 -0.991) 14.972 2.758 ( -2.261 -3.707 2.342) 4.934 3.038 ( 7.542 1.578 -6.275) 9.937 3.110 ( 5.916 -7.115 -5.275) 10.651 3.195 ( -4.039 0.515 -2.265) 4.659 3.359 ( -5.751 -6.143 -2.689) 8.834 3.776 ( -3.024 13.769 1.246) 14.153 3.853 ( -0.787 1.957 -0.671) 2.213 3.927 ( -3.070 -2.661 -4.084) 5.760 4.259 ( 1.202 6.772 1.703) 7.085 4.314 ( 4.242 -0.706 -6.437) 7.741 4.509 ( -5.599 -12.383 7.390) 15.469 4.818 ( 4.066 -0.738 -0.337) 4.146 4.884 ( 5.239 -4.149 -1.738) 6.905 5.279 ( 5.687 2.586 4.250) 7.556 5.414 ( 2.317 -4.387 3.591) 6.124 6.208 ( 5.458 2.597 0.417) 6.059 6.310 ( 4.222 -2.530 -2.418) 5.484 6.479 ( -6.161 4.561 2.016) 7.926 6.600 ( -2.248 -2.161 1.530) 3.473 6.784 ( 0.938 5.696 -1.688) 6.015 7.017 ( 3.208 -5.856 0.331) 6.685 7.873 ( 0.077 9.187 5.982) 10.963 8.053 ( -2.707 0.111 1.190) 2.959 9.536 ( -4.708 6.245 -1.306) 7.929 9.829 ( -2.818 -8.816 -4.850) 10.450 10.654 ( -6.604 0.687 5.161) 8.410 10.871 ( -6.431 -9.029 0.144) 11.086 13.204 ( 13.046 14.893 14.253) 24.396 13.530 ( 0.893 3.778 -7.874) 8.779 13.967 ( 4.973 0.894 -1.168) 5.186 14.287 ( 12.066 -8.886 -3.219) 15.327 16.587 ( -5.903 1.913 1.197) 6.320 16.667 ( -6.914 -2.593 -1.510) 7.537 ======================= Grid point 196 (105/185) ======================= q-point: (-0.22 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.952 ( -9.417 12.267 2.063) 15.601 1.231 ( -1.669 -1.374 8.871) 9.131 1.443 ( -0.324 3.346 8.008) 8.685 1.656 ( -3.808 -4.149 -3.330) 6.543 1.729 ( -2.060 6.037 3.586) 7.318 1.904 ( -0.519 0.782 0.680) 1.159 2.047 ( -8.969 -3.599 -1.676) 9.808 2.141 ( 0.640 -4.735 -0.081) 4.779 2.426 ( -5.632 17.843 4.819) 19.321 2.719 ( -4.776 -1.319 0.080) 4.955 3.045 ( 1.673 -2.799 2.875) 4.348 3.169 ( -4.967 -9.262 -2.239) 10.746 3.223 ( 6.008 -2.906 -4.828) 8.237 3.251 ( 7.896 -0.257 -6.043) 9.947 3.710 ( -3.002 14.948 -0.356) 15.250 3.796 ( -3.208 0.539 -5.563) 6.445 3.870 ( 1.356 -1.804 -5.096) 5.573 4.271 ( -2.963 5.676 2.036) 6.719 4.322 ( 2.406 -1.754 -4.149) 5.107 4.464 ( -6.618 -14.213 5.860) 16.737 4.865 ( 1.333 0.142 -0.357) 1.387 4.947 ( 5.407 -4.150 -4.603) 8.225 5.406 ( 5.253 1.075 2.042) 5.737 5.478 ( 2.598 -2.195 0.187) 3.406 6.289 ( 2.688 2.650 -1.993) 4.268 6.373 ( 5.256 -2.124 -2.301) 6.118 6.398 ( -3.605 5.531 3.028) 7.263 6.553 ( -3.080 -2.201 0.032) 3.786 6.797 ( 1.611 6.002 -1.165) 6.322 7.064 ( 1.861 -7.185 -0.139) 7.424 7.907 ( -0.513 9.343 3.592) 10.023 8.056 ( -0.979 1.327 4.852) 5.125 9.454 ( -4.764 5.484 2.210) 7.593 9.738 ( -4.503 -9.524 -0.655) 10.555 10.572 ( -7.155 0.724 3.405) 7.957 10.751 ( -6.713 -7.020 -1.057) 9.770 13.277 ( -2.810 8.805 -15.029) 17.643 13.501 ( 1.309 0.404 -5.162) 5.340 14.142 ( 16.583 11.900 6.327) 21.369 14.616 ( 18.956 -9.587 6.038) 22.084 16.463 ( -9.068 1.117 0.505) 9.151 16.497 ( -10.418 -1.328 -1.819) 10.659 ======================= Grid point 197 (106/185) ======================= q-point: (-0.11 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.886 ( 0.301 18.915 1.630) 18.988 1.285 ( -8.000 7.119 10.857) 15.250 1.498 ( -1.578 -2.149 4.742) 5.440 1.524 ( -3.209 -11.203 -1.780) 11.789 1.785 ( 3.542 6.538 7.095) 10.278 1.902 ( -0.308 8.054 3.588) 8.822 1.977 ( -0.242 -1.439 1.101) 1.828 2.244 ( 3.548 -6.016 6.866) 9.793 2.394 ( -2.374 17.491 11.200) 20.904 2.653 ( -1.562 -0.420 0.528) 1.701 3.005 ( -9.175 -11.105 1.275) 14.461 3.176 ( 4.413 -9.822 7.998) 13.413 3.274 ( 4.563 3.592 -4.335) 7.246 3.366 ( 9.909 -1.057 -7.316) 12.362 3.678 ( -0.600 6.002 -4.503) 7.528 3.707 ( 1.685 7.504 -5.267) 9.322 3.841 ( 2.212 -0.590 -7.757) 8.087 4.190 ( -7.124 4.653 0.046) 8.509 4.307 ( -0.196 -10.518 -3.420) 11.062 4.397 ( -6.660 -10.282 4.377) 13.009 4.860 ( -0.358 2.374 -1.933) 3.082 4.978 ( 2.916 -3.724 -4.560) 6.570 5.467 ( 1.487 0.574 -3.570) 3.910 5.499 ( 0.329 -0.241 -0.789) 0.888 6.258 ( -1.127 5.546 -1.922) 5.977 6.387 ( 0.050 -1.152 -0.844) 1.429 6.471 ( 5.273 0.946 0.657) 5.397 6.536 ( 0.564 -1.264 1.492) 2.035 6.806 ( 1.055 5.144 -2.094) 5.653 7.070 ( -0.444 -7.691 -1.534) 7.855 7.950 ( 1.736 8.366 3.987) 9.428 8.071 ( -3.465 1.748 5.482) 6.716 9.427 ( -2.554 4.588 5.963) 7.945 9.677 ( -4.118 -8.720 4.367) 10.587 10.481 ( -5.175 1.516 0.527) 5.418 10.631 ( -4.856 -5.226 -2.794) 7.661 13.051 ( -4.025 10.452 -18.506) 21.632 13.390 ( -1.576 -7.897 -14.842) 16.886 14.551 ( 16.830 12.873 11.653) 24.182 14.947 ( 11.916 -6.820 5.079) 14.639 16.300 ( -8.641 0.688 -1.017) 8.728 16.315 ( -8.107 -0.228 -0.426) 8.121 ======================= Grid point 198 (107/185) ======================= q-point: ( 0.00 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.250 ( 4.329 -8.677 -5.002) 10.911 1.250 ( 4.329 8.677 -5.002) 10.911 1.475 ( 4.201 -6.546 11.574) 13.944 1.475 ( 4.201 6.546 11.574) 13.944 2.003 ( 1.920 -1.695 0.554) 2.620 2.003 ( 1.920 1.695 0.554) 2.620 2.128 ( -2.916 -10.942 7.850) 13.779 2.128 ( -2.916 10.942 7.850) 13.779 2.729 ( 5.340 -2.295 9.724) 11.329 2.729 ( 5.340 2.295 9.724) 11.329 2.946 ( -1.714 -16.265 4.887) 17.069 2.946 ( -1.714 16.265 4.887) 17.069 3.433 ( 7.290 -6.050 -4.714) 10.582 3.433 ( 7.290 6.050 -4.714) 10.582 3.717 ( 1.062 -6.550 -3.180) 7.358 3.717 ( 1.062 6.550 -3.180) 7.358 3.981 ( 2.475 -12.819 -6.476) 14.574 3.981 ( 2.475 12.819 -6.476) 14.574 4.148 ( -8.226 -7.295 -1.665) 11.120 4.148 ( -8.226 7.295 -1.665) 11.120 4.895 ( -0.628 -3.877 -3.330) 5.149 4.895 ( -0.628 3.877 -3.330) 5.149 5.443 ( -2.807 -1.389 -3.617) 4.785 5.443 ( -2.807 1.389 -3.617) 4.785 6.324 ( 0.842 -3.138 -2.360) 4.016 6.324 ( 0.842 3.138 -2.360) 4.016 6.578 ( 2.645 -0.535 2.870) 3.940 6.578 ( 2.645 0.535 2.870) 3.940 6.886 ( -1.508 -6.330 -3.537) 7.407 6.886 ( -1.508 6.330 -3.537) 7.407 8.070 ( -2.439 -0.929 4.941) 5.588 8.070 ( -2.439 0.929 4.941) 5.588 9.574 ( 0.783 -5.989 7.813) 9.875 9.574 ( 0.783 5.989 7.813) 9.875 10.472 ( -0.692 -3.712 -3.324) 5.031 10.472 ( -0.692 3.712 -3.324) 5.031 13.010 ( -3.608 -10.101 -17.673) 20.673 13.010 ( -3.608 10.101 -17.673) 20.673 14.981 ( 0.876 -6.683 6.090) 9.084 14.981 ( 0.876 6.683 6.090) 9.084 16.226 ( 0.276 -0.622 -0.712) 0.985 16.226 ( 0.276 0.622 -0.712) 0.985 ======================= Grid point 200 (108/185) ======================= q-point: ( 0.11 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.386 ( 14.029 -1.721 -1.640) 14.229 1.386 ( 14.029 1.721 -1.640) 14.229 1.670 ( 6.336 -5.660 6.859) 10.919 1.670 ( 6.336 5.660 6.859) 10.919 1.977 ( 0.788 -11.194 -0.651) 11.241 1.977 ( 0.788 11.194 -0.651) 11.241 2.186 ( -2.817 -3.393 9.130) 10.140 2.186 ( -2.817 3.393 9.130) 10.140 2.889 ( 0.538 -7.976 4.882) 9.367 2.889 ( 0.538 7.976 4.882) 9.367 2.980 ( 4.112 -12.888 2.848) 13.824 2.980 ( 4.112 12.888 2.848) 13.824 3.475 ( 0.695 -6.140 -2.355) 6.613 3.475 ( 0.695 6.140 -2.355) 6.613 3.755 ( 2.468 -7.008 1.291) 7.541 3.755 ( 2.468 7.008 1.291) 7.541 3.966 ( 3.240 -10.916 -8.312) 14.097 3.966 ( 3.240 10.916 -8.312) 14.097 4.017 ( -1.069 -5.914 -2.510) 6.513 4.017 ( -1.069 5.914 -2.510) 6.513 4.832 ( -2.874 -4.611 -3.468) 6.446 4.832 ( -2.874 4.611 -3.468) 6.446 5.343 ( -4.812 -1.335 -2.577) 5.620 5.343 ( -4.812 1.335 -2.577) 5.620 6.319 ( 0.779 -1.419 -2.251) 2.773 6.319 ( 0.779 1.419 -2.251) 2.773 6.617 ( -2.494 -3.199 3.226) 5.182 6.617 ( -2.494 3.199 3.226) 5.182 6.833 ( 0.887 -2.431 -4.579) 5.260 6.833 ( 0.887 2.431 -4.579) 5.260 8.068 ( -3.189 -5.938 5.291) 8.569 8.068 ( -3.189 5.938 5.291) 8.569 9.690 ( 4.246 -7.035 6.709) 10.608 9.690 ( 4.246 7.035 6.709) 10.608 10.464 ( 3.377 -4.374 -2.784) 6.188 10.464 ( 3.377 4.374 -2.784) 6.188 12.789 ( -4.598 -9.698 -14.023) 17.659 12.789 ( -4.598 9.698 -14.023) 17.659 14.941 ( -9.602 -2.704 4.385) 10.896 14.941 ( -9.602 2.704 4.385) 10.896 16.300 ( 7.904 -1.527 -0.764) 8.087 16.300 ( 7.904 1.527 -0.764) 8.087 ======================= Grid point 202 (109/185) ======================= q-point: ( 0.22 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.601 ( 8.858 -5.832 -1.166) 10.670 1.601 ( 8.858 5.832 -1.166) 10.670 1.791 ( 6.428 -7.213 1.820) 9.832 1.791 ( 6.428 7.213 1.820) 9.832 2.088 ( 4.811 -5.033 0.647) 6.992 2.088 ( 4.811 5.033 0.647) 6.992 2.189 ( -0.590 -0.782 7.376) 7.441 2.189 ( -0.590 0.782 7.376) 7.441 2.856 ( -1.931 -12.530 -3.760) 13.224 2.856 ( -1.931 12.530 -3.760) 13.224 3.069 ( -0.393 -1.984 1.609) 2.584 3.069 ( -0.393 1.984 1.609) 2.584 3.448 ( -1.199 -8.477 1.777) 8.743 3.448 ( -1.199 8.477 1.777) 8.743 3.697 ( -4.506 -10.319 -6.626) 13.065 3.697 ( -4.506 10.319 -6.626) 13.065 3.973 ( 6.396 -6.986 -7.630) 12.163 3.973 ( 6.396 6.986 -7.630) 12.163 4.149 ( 11.049 -4.019 6.489) 13.429 4.149 ( 11.049 4.019 6.489) 13.429 4.740 ( -4.519 -5.378 -2.253) 7.377 4.740 ( -4.519 5.378 -2.253) 7.377 5.244 ( -4.634 -3.098 -0.723) 5.621 5.244 ( -4.634 3.098 -0.723) 5.621 6.300 ( -1.128 -1.622 -1.691) 2.600 6.300 ( -1.128 1.622 -1.691) 2.600 6.557 ( -5.216 -5.698 1.287) 7.831 6.557 ( -5.216 5.698 1.287) 7.831 6.842 ( 3.262 -1.358 -2.938) 4.595 6.842 ( 3.262 1.358 -2.938) 4.595 8.058 ( -3.722 -10.854 5.472) 12.712 8.058 ( -3.722 10.854 5.472) 12.712 9.812 ( 4.786 -8.645 1.236) 9.959 9.812 ( 4.786 8.645 1.236) 9.959 10.542 ( 6.560 -6.272 0.777) 9.109 10.542 ( 6.560 6.272 0.777) 9.109 12.615 ( -3.490 -7.659 -7.083) 11.000 12.615 ( -3.490 7.659 -7.083) 11.000 14.777 ( -12.100 -1.682 2.259) 12.423 14.777 ( -12.100 1.682 2.259) 12.423 16.446 ( 9.052 -2.970 -0.589) 9.546 16.446 ( 9.052 2.970 -0.589) 9.546 ======================= Grid point 204 (110/185) ======================= q-point: ( 0.33 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.661 ( 2.239 -5.230 -3.735) 6.806 1.661 ( 2.239 5.230 -3.735) 6.806 1.932 ( 2.976 -1.897 1.562) 3.860 1.932 ( 2.976 1.897 1.562) 3.860 2.019 ( -4.715 -6.157 0.552) 7.775 2.019 ( -4.715 6.157 0.552) 7.775 2.338 ( 6.248 -3.719 -0.162) 7.273 2.338 ( 6.248 3.719 -0.162) 7.273 2.773 ( -3.663 -4.033 -7.122) 8.967 2.773 ( -3.663 4.033 -7.122) 8.967 3.024 ( 0.252 -4.317 -1.057) 4.452 3.024 ( 0.252 4.317 -1.057) 4.452 3.436 ( -5.067 -1.192 -1.217) 5.346 3.436 ( -5.067 1.192 -1.217) 5.346 3.614 ( 3.019 -7.719 -0.494) 8.303 3.614 ( 3.019 7.719 -0.494) 8.303 4.037 ( 8.392 -3.492 -6.795) 11.349 4.037 ( 8.392 3.492 -6.795) 11.349 4.411 ( 9.770 -3.514 8.176) 13.215 4.411 ( 9.770 3.514 8.176) 13.215 4.635 ( -5.872 -6.803 -0.964) 9.038 4.635 ( -5.872 6.803 -0.964) 9.038 5.178 ( -3.131 -5.097 1.239) 6.109 5.178 ( -3.131 5.097 1.239) 6.109 6.248 ( -2.966 -3.974 -1.280) 5.121 6.248 ( -2.966 3.974 -1.280) 5.121 6.509 ( -1.594 -3.065 1.955) 3.969 6.509 ( -1.594 3.065 1.955) 3.969 6.868 ( 2.214 -2.308 -2.264) 3.918 6.868 ( 2.214 2.308 -2.264) 3.918 8.040 ( -3.928 -13.171 4.995) 14.624 8.040 ( -3.928 13.171 4.995) 14.624 9.864 ( 2.922 -8.677 -4.367) 10.144 9.864 ( 2.922 8.677 -4.367) 10.144 10.680 ( 5.977 -7.576 3.546) 10.281 10.680 ( 5.977 7.576 3.546) 10.281 12.572 ( 2.008 -7.607 2.248) 8.183 12.572 ( 2.008 7.607 2.248) 8.183 14.581 ( -11.133 -4.542 -1.238) 12.087 14.581 ( -11.133 4.542 -1.238) 12.087 16.583 ( 6.847 -3.738 -0.016) 7.801 16.583 ( 6.847 3.738 -0.016) 7.801 ======================= Grid point 206 (111/185) ======================= q-point: (-0.56 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.584 ( -5.750 -2.538 -7.764) 9.989 1.584 ( -5.750 2.538 -7.764) 9.989 1.854 ( -6.912 -3.690 1.479) 7.973 1.854 ( -6.912 3.690 1.479) 7.973 2.049 ( 3.293 -3.916 -2.331) 5.622 2.049 ( 3.293 3.916 -2.331) 5.622 2.332 ( -5.482 -4.892 -3.931) 8.333 2.332 ( -5.482 4.892 -3.931) 8.333 2.652 ( 1.185 -1.451 -5.084) 5.418 2.652 ( 1.185 1.451 -5.084) 5.418 3.054 ( 1.508 -3.329 -5.716) 6.785 3.054 ( 1.508 3.329 -5.716) 6.785 3.338 ( -0.568 -0.546 -1.957) 2.110 3.338 ( -0.568 0.546 -1.957) 2.110 3.724 ( 4.467 -7.124 5.892) 10.268 3.724 ( 4.467 7.124 5.892) 10.268 4.120 ( 7.470 -4.787 -5.969) 10.693 4.120 ( 7.470 4.787 -5.969) 10.693 4.487 ( -8.064 -5.040 2.259) 9.774 4.487 ( -8.064 5.040 2.259) 9.774 4.639 ( 6.857 -1.705 2.904) 7.639 4.639 ( 6.857 1.705 2.904) 7.639 5.169 ( -0.324 -6.164 3.737) 7.216 5.169 ( -0.324 6.164 3.737) 7.216 6.199 ( -0.800 -4.918 -1.194) 5.123 6.199 ( -0.800 4.918 -1.194) 5.123 6.529 ( 0.232 -1.573 3.802) 4.121 6.529 ( 0.232 1.573 3.802) 4.121 6.876 ( 1.116 -3.090 -1.844) 3.767 6.876 ( 1.116 3.090 -1.844) 3.767 8.018 ( -3.409 -12.195 4.020) 13.285 8.018 ( -3.409 12.195 4.020) 13.285 9.840 ( 0.412 -8.099 -6.404) 10.334 9.840 ( 0.412 8.099 -6.404) 10.334 10.778 ( 1.326 -7.994 3.147) 8.693 10.778 ( 1.326 7.994 3.147) 8.693 12.742 ( 10.308 -11.995 11.267) 19.419 12.742 ( 10.308 11.995 11.267) 19.419 14.374 ( -8.931 -6.969 -5.988) 12.813 14.374 ( -8.931 6.969 -5.988) 12.813 16.673 ( 3.064 -3.745 0.497) 4.864 16.673 ( 3.064 3.745 0.497) 4.864 ======================= Grid point 208 (112/185) ======================= q-point: (-0.44 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.374 ( -8.488 -3.196 -7.499) 11.769 1.374 ( -8.488 3.196 -7.499) 11.769 1.726 ( -8.995 -3.080 0.427) 9.517 1.726 ( -8.995 3.080 0.427) 9.517 2.021 ( -4.648 -3.701 -5.589) 8.158 2.021 ( -4.648 3.702 -5.589) 8.158 2.208 ( -0.849 -5.032 -1.525) 5.326 2.208 ( -0.849 5.032 -1.525) 5.326 2.693 ( 2.802 -5.248 -1.536) 6.144 2.693 ( 2.802 5.248 -1.536) 6.144 2.976 ( 1.509 -4.354 -8.263) 9.461 2.976 ( 1.509 4.354 -8.263) 9.461 3.341 ( -1.160 -3.691 -0.598) 3.915 3.341 ( -1.160 3.691 -0.598) 3.915 3.840 ( 3.418 -6.007 2.825) 7.467 3.840 ( 3.418 6.007 2.825) 7.467 4.156 ( 0.995 -9.274 -3.290) 9.890 4.156 ( 0.995 9.274 -3.290) 9.890 4.386 ( -4.083 -7.496 1.788) 8.722 4.386 ( -4.083 7.496 1.788) 8.722 4.752 ( 4.389 -1.217 0.747) 4.615 4.752 ( 4.389 1.217 0.747) 4.615 5.234 ( 2.811 -5.289 4.862) 7.715 5.234 ( 2.811 5.289 4.862) 7.715 6.204 ( 2.694 -4.112 -1.341) 5.095 6.204 ( 2.694 4.112 -1.341) 5.095 6.564 ( -1.061 -1.581 4.151) 4.567 6.564 ( -1.061 1.581 4.151) 4.567 6.879 ( 1.035 -4.469 -0.986) 4.692 6.879 ( 1.035 4.469 -0.986) 4.692 8.003 ( -2.150 -8.646 3.335) 9.513 8.003 ( -2.150 8.646 3.335) 9.513 9.768 ( -2.213 -7.926 -5.543) 9.922 9.768 ( -2.213 7.926 -5.543) 9.922 10.784 ( -3.151 -7.327 2.185) 8.270 10.784 ( -3.151 7.327 2.185) 8.270 13.102 ( 15.207 -14.982 15.802) 26.559 13.102 ( 15.207 14.982 15.802) 26.559 14.174 ( -4.572 -8.685 -10.569) 14.424 14.174 ( -4.572 8.685 -10.569) 14.424 16.691 ( -1.615 -3.133 0.509) 3.562 16.691 ( -1.615 3.133 0.509) 3.562 ======================= Grid point 210 (113/185) ======================= q-point: (-0.33 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.199 ( -6.474 -1.846 -1.097) 6.820 1.199 ( -6.474 1.846 -1.097) 6.820 1.593 ( -6.333 -5.720 1.415) 8.650 1.593 ( -6.333 5.720 1.415) 8.650 1.883 ( -3.779 -5.799 -3.121) 7.593 1.883 ( -3.779 5.799 -3.121) 7.593 2.183 ( -4.221 -5.030 -1.167) 6.669 2.183 ( -4.221 5.030 -1.167) 6.669 2.675 ( -0.695 -7.501 -1.091) 7.612 2.675 ( -0.695 7.501 -1.091) 7.612 3.024 ( 8.377 -1.437 -4.760) 9.742 3.024 ( 8.377 1.437 -4.760) 9.742 3.252 ( -6.451 -5.013 -2.394) 8.513 3.252 ( -6.451 5.013 -2.394) 8.513 3.870 ( 0.173 -2.426 -2.893) 3.780 3.870 ( 0.173 2.426 -2.893) 3.780 4.115 ( -3.304 -17.014 0.806) 17.351 4.115 ( -3.304 17.014 0.806) 17.351 4.373 ( -0.487 -4.562 1.310) 4.771 4.373 ( -0.487 4.562 1.310) 4.771 4.823 ( 4.175 -1.685 -0.653) 4.550 4.823 ( 4.175 1.685 -0.653) 4.550 5.338 ( 4.505 -3.618 3.319) 6.663 5.338 ( 4.505 3.618 3.319) 6.663 6.260 ( 4.982 -2.753 -1.526) 5.893 6.260 ( 4.982 2.753 -1.526) 5.893 6.552 ( -3.836 -3.106 2.291) 5.441 6.552 ( -3.836 3.106 2.291) 5.441 6.899 ( 1.629 -6.350 -0.029) 6.556 6.899 ( 1.629 6.350 -0.029) 6.556 8.008 ( -0.913 -4.871 3.592) 6.121 8.008 ( -0.913 4.871 3.592) 6.121 9.670 ( -4.364 -7.907 -2.882) 9.480 9.670 ( -4.364 7.907 -2.882) 9.480 10.724 ( -5.442 -6.204 1.448) 8.378 10.724 ( -5.442 6.204 1.448) 8.378 13.445 ( 7.122 -10.259 7.224) 14.427 13.445 ( 7.122 10.259 7.224) 14.427 14.099 ( 9.039 -10.340 -6.028) 14.998 14.099 ( 9.039 10.340 -6.028) 14.998 16.624 ( -6.376 -2.063 0.007) 6.701 16.624 ( -6.376 2.063 0.007) 6.701 ======================= Grid point 212 (114/185) ======================= q-point: (-0.22 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.146 ( -1.771 -7.491 5.245) 9.315 1.146 ( -1.771 7.491 5.245) 9.315 1.530 ( -5.076 -6.312 3.345) 8.764 1.530 ( -5.076 6.312 3.345) 8.764 1.864 ( 0.632 -5.967 2.941) 6.683 1.864 ( 0.632 5.967 2.941) 6.683 2.054 ( -4.981 -4.141 -1.757) 6.711 2.054 ( -4.981 4.141 -1.757) 6.711 2.682 ( -0.756 -5.860 1.985) 6.233 2.682 ( -0.756 5.860 1.985) 6.233 3.009 ( -8.423 -4.512 1.552) 9.681 3.009 ( -8.423 4.512 1.552) 9.681 3.225 ( 9.918 -2.338 -7.436) 12.614 3.225 ( 9.918 2.338 -7.436) 12.614 3.820 ( -1.286 -1.754 -4.489) 4.988 3.820 ( -1.286 1.754 -4.489) 4.988 4.062 ( -2.905 -18.919 -0.775) 19.156 4.062 ( -2.905 18.919 -0.775) 19.156 4.360 ( -3.123 -3.109 1.474) 4.647 4.360 ( -3.123 3.109 1.474) 4.647 4.882 ( 3.749 -2.221 -1.758) 4.699 4.882 ( 3.749 2.221 -1.758) 4.699 5.437 ( 4.408 -2.049 0.676) 4.908 5.437 ( 4.408 2.049 0.676) 4.908 6.332 ( 4.469 -2.123 -1.989) 5.332 6.332 ( 4.469 2.123 -1.989) 5.332 6.494 ( -3.467 -4.202 0.987) 5.537 6.494 ( -3.467 4.202 0.987) 5.537 6.925 ( 1.252 -7.330 -0.317) 7.443 6.925 ( 1.252 7.330 -0.317) 7.443 8.033 ( -0.656 -3.916 4.352) 5.891 8.033 ( -0.656 3.916 4.352) 5.891 9.577 ( -4.945 -7.530 0.978) 9.062 9.577 ( -4.945 7.530 0.978) 9.062 10.633 ( -5.738 -5.174 0.195) 7.729 10.633 ( -5.738 5.174 0.195) 7.729 13.426 ( -2.777 -6.710 -11.769) 13.830 13.426 ( -2.777 6.710 -11.769) 13.830 14.397 ( 19.832 -13.423 7.207) 25.008 14.397 ( 19.832 13.423 7.207) 25.008 16.480 ( -9.615 -0.777 -0.581) 9.664 16.480 ( -9.615 0.777 -0.581) 9.664 ======================= Grid point 214 (115/185) ======================= q-point: (-0.11 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.218 ( 4.116 -15.177 2.748) 15.964 1.218 ( 4.116 15.177 2.748) 15.964 1.430 ( -9.435 -3.666 5.381) 11.464 1.430 ( -9.435 3.666 5.381) 11.464 1.906 ( 3.000 -5.226 3.241) 6.842 1.906 ( 3.000 5.226 3.241) 6.842 2.092 ( 2.661 -9.839 6.055) 11.855 2.092 ( 2.661 9.839 6.055) 11.855 2.647 ( -3.598 -6.686 3.261) 8.263 2.647 ( -3.598 6.686 3.261) 8.263 2.935 ( -4.009 -9.728 6.649) 12.446 2.935 ( -4.009 9.728 6.649) 12.446 3.337 ( 10.362 -3.350 -7.813) 13.403 3.337 ( 10.362 3.350 -7.813) 13.403 3.757 ( -1.003 -2.990 -4.363) 5.384 3.757 ( -1.003 2.990 -4.363) 5.384 4.010 ( -0.298 -16.407 -4.070) 16.907 4.010 ( -0.298 16.407 -4.070) 16.907 4.285 ( -6.696 -5.038 0.626) 8.403 4.285 ( -6.696 5.038 0.626) 8.403 4.912 ( 1.865 -3.143 -2.654) 4.517 4.912 ( 1.865 3.143 -2.654) 4.517 5.485 ( 1.441 -1.082 -2.167) 2.818 5.485 ( 1.441 1.082 -2.167) 2.818 6.343 ( -0.096 -3.406 -2.649) 4.316 6.343 ( -0.096 3.406 -2.649) 4.316 6.503 ( 2.764 -2.014 1.812) 3.870 6.503 ( 2.764 2.014 1.812) 3.870 6.926 ( -0.167 -7.295 -1.691) 7.490 6.926 ( -0.167 7.295 -1.691) 7.490 8.059 ( -1.418 -3.182 4.767) 5.904 8.059 ( -1.418 3.182 4.767) 5.904 9.533 ( -3.072 -6.630 5.158) 8.945 9.533 ( -3.072 6.630 5.158) 8.945 10.539 ( -4.071 -4.257 -1.727) 6.138 10.539 ( -4.071 4.257 -1.727) 6.138 13.231 ( -3.096 -8.897 -17.567) 19.933 13.231 ( -3.096 8.897 -17.567) 19.933 14.780 ( 14.203 -10.849 8.015) 19.588 14.780 ( 14.203 10.849 8.015) 19.588 16.310 ( -8.233 -0.361 -0.788) 8.278 16.310 ( -8.233 0.361 -0.788) 8.278 ======================= Grid point 243 (116/185) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.017 ( -0.729 0.000 13.846) 13.865 1.026 ( 5.190 0.000 9.098) 10.475 1.213 ( -5.521 0.000 2.829) 6.203 1.548 ( 7.191 0.000 -7.231) 10.198 2.017 ( 0.795 0.000 7.184) 7.227 2.045 ( 0.683 0.000 6.459) 6.495 2.219 ( -1.360 0.000 13.075) 13.146 2.413 ( 5.498 0.000 -6.473) 8.493 2.529 ( 14.081 0.000 -0.312) 14.084 2.664 ( -0.919 0.000 1.147) 1.470 2.901 ( 0.255 0.000 -1.530) 1.551 3.013 ( -7.220 0.000 -1.780) 7.436 3.200 ( 5.116 0.000 6.259) 8.084 3.316 ( -7.945 0.000 -7.804) 11.136 3.404 ( -1.663 0.000 4.308) 4.618 3.760 ( 10.844 0.000 -4.426) 11.712 4.283 ( -2.824 0.000 0.353) 2.846 4.451 ( 1.606 0.000 3.385) 3.746 4.591 ( 2.853 0.000 11.627) 11.972 4.676 ( 2.122 0.000 -1.589) 2.651 4.846 ( -0.680 0.000 1.585) 1.725 5.020 ( -0.423 0.000 -6.606) 6.619 5.128 ( -3.502 0.000 -6.673) 7.536 5.206 ( -11.594 0.000 -5.616) 12.882 6.157 ( 5.602 0.000 2.744) 6.238 6.253 ( -4.360 0.000 -2.465) 5.009 6.439 ( -4.559 0.000 1.848) 4.919 6.616 ( 7.900 0.000 -6.413) 10.175 6.906 ( 0.540 0.000 3.581) 3.621 7.164 ( 0.309 0.000 -8.518) 8.524 7.862 ( -17.884 0.000 4.932) 18.552 7.868 ( 24.162 0.000 3.536) 24.419 9.654 ( -2.298 0.000 11.019) 11.257 10.065 ( 6.704 0.000 -8.033) 10.463 10.421 ( -24.256 0.000 4.197) 24.617 10.608 ( 2.366 0.000 -4.300) 4.908 12.518 ( -0.480 0.000 18.553) 18.559 13.322 ( 3.079 0.000 -18.316) 18.573 14.814 ( 10.687 0.000 7.265) 12.922 15.033 ( -9.118 0.000 -3.286) 9.692 16.203 ( -1.065 0.000 0.956) 1.431 16.225 ( 3.326 0.000 -0.310) 3.340 ======================= Grid point 244 (117/185) ======================= q-point: ( 0.11 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.127 ( -2.949 0.000 -6.398) 7.045 1.231 ( 9.539 0.000 7.861) 12.360 1.278 ( 14.518 0.000 10.416) 17.868 1.671 ( 13.959 0.000 -7.732) 15.957 2.029 ( -3.866 0.000 1.409) 4.115 2.151 ( 4.444 0.000 3.870) 5.893 2.320 ( 4.248 0.000 3.872) 5.748 2.341 ( -4.021 0.000 -4.277) 5.871 2.636 ( 1.114 0.000 -12.663) 12.712 2.753 ( 9.798 0.000 -0.232) 9.801 2.869 ( -7.542 0.000 0.121) 7.543 2.944 ( 0.016 0.000 4.884) 4.884 3.116 ( -4.649 0.000 -6.520) 8.008 3.258 ( -4.738 0.000 11.987) 12.890 3.494 ( 8.159 0.000 -2.591) 8.560 3.928 ( 12.205 0.000 -4.766) 13.102 4.231 ( -3.698 0.000 4.453) 5.789 4.390 ( -3.817 0.000 -5.313) 6.542 4.717 ( -3.128 0.000 7.795) 8.399 4.723 ( -3.114 0.000 2.275) 3.856 4.779 ( -6.732 0.000 -2.945) 7.348 4.926 ( -0.772 0.000 -9.057) 9.090 5.022 ( -3.851 0.000 2.905) 4.824 5.101 ( 2.228 0.000 5.835) 6.245 6.134 ( -6.625 0.000 -0.942) 6.692 6.289 ( 7.137 0.000 1.002) 7.207 6.405 ( -0.816 0.000 -0.242) 0.851 6.692 ( 7.118 0.000 -5.498) 8.994 6.956 ( 1.155 0.000 4.348) 4.498 7.086 ( -0.458 0.000 -8.077) 8.090 7.552 ( -20.303 0.000 0.712) 20.315 8.249 ( 17.449 0.000 -0.248) 17.451 9.600 ( -13.491 0.000 9.473) 16.484 10.040 ( 1.615 0.000 -10.808) 10.928 10.300 ( -0.326 0.000 12.615) 12.620 10.744 ( 12.546 0.000 2.986) 12.897 12.697 ( 1.629 0.000 18.136) 18.209 13.204 ( 3.791 0.000 -19.999) 20.355 14.717 ( -21.631 0.000 -5.548) 22.331 14.910 ( -5.033 0.000 7.438) 8.981 16.263 ( 6.369 0.000 0.541) 6.392 16.372 ( 12.926 0.000 -2.294) 13.129 ======================= Grid point 245 (118/185) ======================= q-point: ( 0.22 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.012 ( -0.722 0.000 -9.185) 9.214 1.486 ( 10.639 0.000 7.598) 13.074 1.600 ( 13.166 0.000 2.579) 13.416 1.796 ( 5.248 0.000 -6.802) 8.591 1.974 ( -3.335 0.000 0.213) 3.342 2.078 ( -8.275 0.000 -11.010) 13.773 2.261 ( 0.812 0.000 -7.002) 7.049 2.444 ( 7.378 0.000 0.649) 7.406 2.504 ( -3.814 0.000 -12.406) 12.979 2.793 ( -5.410 0.000 -1.105) 5.522 2.828 ( 3.176 0.000 6.908) 7.603 2.977 ( 1.578 0.000 3.660) 3.986 3.103 ( 8.573 0.000 -5.180) 10.017 3.327 ( 2.567 0.000 5.680) 6.233 3.572 ( 3.648 0.000 -1.784) 4.061 4.058 ( 11.068 0.000 -11.719) 16.119 4.268 ( -6.969 0.000 -0.492) 6.986 4.285 ( 0.045 0.000 12.405) 12.405 4.438 ( -16.871 0.000 -5.993) 17.904 4.593 ( -6.967 0.000 -7.258) 10.060 4.782 ( -4.071 0.000 3.884) 5.627 4.870 ( 0.695 0.000 -3.073) 3.150 5.082 ( 1.997 0.000 9.321) 9.532 5.260 ( 4.326 0.000 12.363) 13.098 6.033 ( -4.820 0.000 1.479) 5.042 6.398 ( 0.856 0.000 -1.492) 1.720 6.403 ( 6.055 0.000 -1.672) 6.282 6.748 ( 4.108 0.000 -4.032) 5.756 7.003 ( -1.053 0.000 -6.936) 7.015 7.034 ( 2.669 0.000 4.303) 5.064 7.211 ( -17.358 0.000 -0.900) 17.381 8.442 ( 6.073 0.000 -2.542) 6.583 9.478 ( -8.975 0.000 9.229) 12.873 9.964 ( 2.582 0.000 -12.145) 12.417 10.512 ( 8.106 0.000 14.349) 16.481 11.026 ( 12.304 0.000 8.860) 15.162 12.897 ( 2.382 0.000 15.753) 15.933 13.083 ( 4.119 0.000 -21.158) 21.555 14.245 ( -24.040 0.000 -7.200) 25.096 14.838 ( -9.753 0.000 6.284) 11.602 16.401 ( 7.788 0.000 1.381) 7.910 16.573 ( 12.530 0.000 -3.419) 12.989 ======================= Grid point 246 (119/185) ======================= q-point: ( 0.33 0.00 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.970 ( 5.522 0.000 -7.725) 9.496 1.519 ( -11.634 0.000 -12.916) 17.383 1.730 ( 3.332 0.000 -5.696) 6.600 1.758 ( -2.320 0.000 -2.417) 3.351 1.916 ( -2.384 0.000 -2.260) 3.285 1.933 ( 7.986 0.000 -0.869) 8.034 2.207 ( -9.560 0.000 0.046) 9.560 2.328 ( 4.976 0.000 -16.717) 17.442 2.452 ( -12.133 0.000 2.399) 12.368 2.712 ( 3.215 0.000 -4.362) 5.418 3.026 ( 11.809 0.000 2.234) 12.018 3.084 ( 8.369 0.000 2.798) 8.824 3.285 ( 13.046 0.000 1.550) 13.137 3.425 ( 3.590 0.000 3.494) 5.010 3.611 ( 0.810 0.000 1.555) 1.754 4.046 ( -2.612 0.000 -9.602) 9.951 4.058 ( -18.057 0.000 -4.594) 18.632 4.190 ( 2.939 0.000 -4.859) 5.678 4.399 ( -4.640 0.000 -11.888) 12.761 4.470 ( 2.764 0.000 15.423) 15.669 4.670 ( -9.035 0.000 -2.663) 9.419 4.879 ( 0.990 0.000 1.203) 1.558 5.222 ( 2.197 0.000 11.865) 12.066 5.437 ( 2.966 0.000 11.262) 11.646 6.007 ( -1.231 0.000 4.251) 4.426 6.404 ( 1.741 0.000 -2.020) 2.667 6.454 ( 2.801 0.000 -4.012) 4.893 6.747 ( -1.290 0.000 -4.128) 4.325 6.901 ( -9.918 0.000 -2.693) 10.277 6.926 ( -1.217 0.000 -5.342) 5.479 7.211 ( 6.199 0.000 8.717) 10.696 8.419 ( -4.340 0.000 -4.384) 6.169 9.460 ( -3.148 0.000 7.596) 8.223 9.915 ( 4.674 0.000 -12.165) 13.032 10.807 ( 9.764 0.000 15.681) 18.472 11.291 ( 6.581 0.000 11.769) 13.484 12.957 ( 4.157 0.000 -21.410) 21.810 12.975 ( -8.972 0.000 5.311) 10.426 13.890 ( -7.736 0.000 -0.345) 7.744 14.704 ( -10.760 0.000 3.278) 11.248 16.535 ( 5.303 0.000 2.546) 5.882 16.725 ( 8.919 0.000 -3.908) 9.738 ======================= Grid point 247 (120/185) ======================= q-point: (-0.56 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.061 ( 11.589 0.000 -5.424) 12.795 1.171 ( -6.401 0.000 -17.706) 18.828 1.605 ( -10.404 0.000 -7.755) 12.977 1.631 ( -10.826 0.000 1.122) 10.884 1.848 ( -1.351 0.000 -5.148) 5.323 1.995 ( -6.496 0.000 -8.825) 10.958 2.119 ( 7.029 0.000 -0.541) 7.050 2.259 ( -5.611 0.000 -2.346) 6.082 2.378 ( 10.307 0.000 -0.332) 10.313 2.691 ( -5.538 0.000 1.269) 5.682 3.246 ( 12.590 0.000 -0.427) 12.597 3.294 ( 9.099 0.000 1.413) 9.208 3.490 ( 4.579 0.000 3.978) 6.066 3.507 ( -3.432 0.000 4.839) 5.932 3.547 ( -6.210 0.000 1.055) 6.299 3.827 ( -2.851 0.000 1.181) 3.086 3.868 ( -8.606 0.000 -3.218) 9.188 4.174 ( -5.521 0.000 -5.845) 8.041 4.297 ( 15.434 0.000 -18.916) 24.413 4.441 ( -10.480 0.000 -8.186) 13.298 4.654 ( 2.195 0.000 13.437) 13.615 4.914 ( 1.183 0.000 1.959) 2.288 5.361 ( 1.070 0.000 11.900) 11.948 5.557 ( 0.935 0.000 7.134) 7.195 6.060 ( 1.481 0.000 6.023) 6.203 6.422 ( 2.360 0.000 -1.642) 2.875 6.438 ( 0.854 0.000 -5.128) 5.198 6.585 ( -9.358 0.000 -5.176) 10.694 6.834 ( 0.753 0.000 -1.150) 1.375 6.863 ( -1.278 0.000 -3.548) 3.771 7.435 ( 8.142 0.000 12.278) 14.732 8.239 ( -9.797 0.000 -6.907) 11.987 9.478 ( -2.759 0.000 6.403) 6.972 9.897 ( 5.872 0.000 -11.681) 13.074 11.131 ( 10.114 0.000 17.407) 20.132 11.451 ( -0.685 0.000 11.102) 11.123 12.686 ( -19.713 0.000 -4.755) 20.278 12.836 ( 4.197 0.000 -20.076) 20.510 13.998 ( 11.132 0.000 8.828) 14.208 14.531 ( -10.735 0.000 -0.655) 10.755 16.619 ( 1.114 0.000 3.235) 3.421 16.804 ( 4.654 0.000 -4.356) 6.375 ======================= Grid point 248 (121/185) ======================= q-point: (-0.44 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.055 ( 6.152 0.000 -9.645) 11.440 1.166 ( 3.332 0.000 -17.182) 17.502 1.383 ( -4.558 0.000 10.566) 11.507 1.442 ( -11.519 0.000 5.199) 12.638 1.786 ( -0.968 0.000 -3.474) 3.607 1.825 ( -3.616 0.000 -9.340) 10.015 2.210 ( 7.427 0.000 -2.299) 7.775 2.240 ( 5.585 0.000 -4.354) 7.081 2.544 ( -11.846 0.000 -0.642) 11.864 2.597 ( 8.096 0.000 6.119) 10.148 3.109 ( -25.369 0.000 5.010) 25.859 3.395 ( -4.507 0.000 -2.008) 4.934 3.469 ( 0.652 0.000 1.176) 1.344 3.493 ( 4.536 0.000 3.634) 5.813 3.698 ( 7.042 0.000 5.881) 9.175 3.768 ( -0.580 0.000 -2.670) 2.732 3.859 ( 2.259 0.000 1.460) 2.690 3.989 ( -6.714 0.000 -8.612) 10.921 4.206 ( -5.710 0.000 -7.910) 9.756 4.478 ( 20.352 0.000 -12.914) 24.103 4.787 ( 1.416 0.000 8.434) 8.552 4.950 ( 1.669 0.000 0.004) 1.669 5.474 ( 0.105 0.000 10.030) 10.031 5.599 ( -1.019 0.000 2.206) 2.430 6.152 ( 2.149 0.000 6.273) 6.631 6.368 ( -6.898 0.000 -7.155) 9.939 6.423 ( -0.395 0.000 -2.174) 2.210 6.462 ( 3.180 0.000 0.539) 3.226 6.818 ( -1.228 0.000 -1.616) 2.030 6.843 ( 1.158 0.000 -1.274) 1.722 7.699 ( 7.139 0.000 15.131) 16.731 7.973 ( -11.748 0.000 -9.519) 15.120 9.476 ( -4.284 0.000 6.570) 7.843 9.895 ( 6.138 0.000 -11.311) 12.869 11.449 ( -8.883 0.000 5.028) 10.207 11.464 ( 9.469 0.000 16.199) 18.764 12.355 ( -13.910 0.000 0.349) 13.915 12.750 ( 5.533 0.000 -14.511) 15.530 14.319 ( 15.293 0.000 8.352) 17.425 14.326 ( -9.941 0.000 -4.777) 11.029 16.630 ( -3.372 0.000 3.420) 4.803 16.804 ( 0.338 0.000 -5.046) 5.057 ======================= Grid point 249 (122/185) ======================= q-point: (-0.33 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.004 ( -5.431 0.000 -5.945) 8.052 1.039 ( 0.152 0.000 0.462) 0.486 1.491 ( 7.784 0.000 9.339) 12.158 1.543 ( 3.262 0.000 7.772) 8.429 1.713 ( -1.152 0.000 -2.449) 2.707 1.766 ( 1.499 0.000 1.355) 2.020 2.217 ( -15.092 0.000 -4.499) 15.748 2.350 ( 9.374 0.000 0.361) 9.381 2.368 ( 3.538 0.000 -4.801) 5.964 2.654 ( -8.221 0.000 2.086) 8.482 2.749 ( -20.271 0.000 9.966) 22.588 3.239 ( -4.443 0.000 -1.585) 4.718 3.460 ( -3.822 0.000 1.693) 4.180 3.660 ( -9.092 0.000 -3.807) 9.857 3.702 ( 11.181 0.000 5.714) 12.556 3.729 ( -1.996 0.000 -2.670) 3.334 3.802 ( -4.544 0.000 -9.752) 10.758 4.010 ( 9.742 0.000 4.869) 10.891 4.155 ( 2.369 0.000 -0.044) 2.370 4.708 ( 16.531 0.000 -8.721) 18.691 4.859 ( 0.223 0.000 4.232) 4.238 4.966 ( 2.374 0.000 -3.779) 4.463 5.544 ( -1.058 0.000 6.415) 6.501 5.562 ( -3.063 0.000 -2.758) 4.122 6.185 ( -7.717 0.000 -3.043) 8.296 6.238 ( 1.368 0.000 5.207) 5.384 6.430 ( 3.949 0.000 -4.107) 5.697 6.550 ( 4.402 0.000 4.088) 6.007 6.799 ( 0.149 0.000 1.119) 1.129 6.848 ( 0.593 0.000 -0.718) 0.931 7.681 ( -10.455 0.000 -10.917) 15.116 7.936 ( 3.127 0.000 15.863) 16.168 9.462 ( -4.701 0.000 7.978) 9.260 9.899 ( 6.408 0.000 -11.163) 12.871 11.250 ( -13.921 0.000 -2.898) 14.219 11.670 ( 1.237 0.000 1.649) 2.061 12.234 ( -6.669 0.000 10.081) 12.087 12.841 ( 14.402 0.000 2.441) 14.608 14.114 ( -7.432 0.000 -7.548) 10.593 14.648 ( 15.046 0.000 5.254) 15.937 16.567 ( -7.486 0.000 3.287) 8.176 16.719 ( -4.538 0.000 -6.100) 7.603 ======================= Grid point 250 (123/185) ======================= q-point: (-0.22 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.875 ( -4.595 0.000 0.821) 4.668 1.184 ( -0.058 0.000 17.012) 17.012 1.499 ( -7.485 0.000 -0.629) 7.512 1.568 ( -1.712 0.000 -0.222) 1.726 1.798 ( -17.863 0.000 4.900) 18.523 1.902 ( 15.302 0.000 7.397) 16.996 1.952 ( 1.474 0.000 9.037) 9.156 2.332 ( -4.164 0.000 1.732) 4.510 2.373 ( -17.975 0.000 2.462) 18.143 2.549 ( 6.543 0.000 2.339) 6.949 2.743 ( 9.594 0.000 2.733) 9.976 3.198 ( -0.095 0.000 -4.061) 4.062 3.307 ( -11.111 0.000 -7.430) 13.367 3.507 ( -6.493 0.000 2.984) 7.145 3.621 ( -5.308 0.000 -4.493) 6.954 3.696 ( 1.585 0.000 -8.944) 9.083 3.970 ( 10.745 0.000 10.720) 15.178 4.200 ( 5.674 0.000 3.031) 6.433 4.238 ( 4.583 0.000 7.953) 9.179 4.823 ( 4.351 0.000 -8.399) 9.459 4.877 ( -1.173 0.000 1.510) 1.912 4.994 ( 7.428 0.000 -6.647) 9.968 5.445 ( -5.134 0.000 -6.769) 8.496 5.541 ( -3.889 0.000 1.407) 4.135 6.069 ( -3.888 0.000 0.568) 3.929 6.292 ( 0.545 0.000 2.874) 2.925 6.476 ( 6.153 0.000 -5.158) 8.029 6.614 ( -2.777 0.000 2.325) 3.622 6.854 ( 0.263 0.000 0.601) 0.656 6.930 ( 12.146 0.000 8.214) 14.663 7.441 ( -5.219 0.000 -10.256) 11.507 8.074 ( -3.699 0.000 14.031) 14.511 9.476 ( -2.935 0.000 10.014) 10.435 9.919 ( 7.867 0.000 -10.488) 13.111 10.969 ( -12.722 0.000 -6.192) 14.149 11.477 ( -16.648 0.000 -12.565) 20.857 12.269 ( -3.737 0.000 15.344) 15.793 13.259 ( 21.851 0.000 6.158) 22.702 14.003 ( 4.302 0.000 -0.963) 4.408 14.920 ( 12.297 0.000 1.835) 12.433 16.439 ( -10.331 0.000 2.863) 10.720 16.533 ( -10.170 0.000 -5.952) 11.784 ======================= Grid point 251 (124/185) ======================= q-point: (-0.11 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.888 ( 1.425 0.000 7.264) 7.402 1.082 ( -18.867 0.000 12.816) 22.808 1.339 ( -15.674 0.000 6.983) 17.159 1.540 ( 0.130 0.000 -2.332) 2.336 1.826 ( 9.575 0.000 15.031) 17.822 2.063 ( -8.970 0.000 0.561) 8.988 2.106 ( -0.965 0.000 16.624) 16.652 2.252 ( 10.993 0.000 3.665) 11.588 2.358 ( 7.260 0.000 -2.697) 7.745 2.661 ( 0.052 0.000 5.450) 5.450 2.964 ( 9.080 0.000 -0.801) 9.115 3.051 ( -4.265 0.000 -6.814) 8.039 3.129 ( -3.333 0.000 -3.911) 5.139 3.442 ( -7.203 0.000 7.128) 10.134 3.490 ( -4.677 0.000 -6.548) 8.047 3.673 ( 5.194 0.000 -7.235) 8.906 4.254 ( 8.960 0.000 12.744) 15.579 4.280 ( 1.759 0.000 2.140) 2.770 4.421 ( 4.831 0.000 10.878) 11.903 4.750 ( -0.546 0.000 -10.899) 10.912 4.856 ( -1.813 0.000 0.612) 1.913 5.048 ( 4.363 0.000 -6.284) 7.650 5.280 ( -5.320 0.000 -8.325) 9.880 5.426 ( -8.263 0.000 -3.506) 8.976 6.066 ( 1.507 0.000 2.715) 3.105 6.306 ( -0.348 0.000 -0.616) 0.708 6.532 ( -7.488 0.000 2.074) 7.770 6.542 ( 7.449 0.000 -6.194) 9.688 6.872 ( 0.330 0.000 2.270) 2.294 7.213 ( 5.105 0.000 -3.881) 6.413 7.423 ( 17.230 0.000 3.246) 17.533 8.053 ( -11.697 0.000 9.901) 15.325 9.551 ( -0.087 0.000 11.547) 11.548 9.984 ( 9.769 0.000 -8.589) 13.008 10.724 ( -7.966 0.000 -7.015) 10.614 10.948 ( -30.255 0.000 -8.394) 31.398 12.373 ( -2.154 0.000 17.727) 17.857 13.421 ( 4.683 0.000 -14.485) 15.223 14.383 ( 26.328 0.000 11.145) 28.590 15.081 ( 5.072 0.000 -1.090) 5.188 16.285 ( -9.183 0.000 2.065) 9.413 16.303 ( -10.004 0.000 -2.195) 10.241 ======================= Grid point 252 (125/185) ======================= q-point: ( 0.00 0.12 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.947 ( 4.295 -5.098 12.681) 14.326 1.081 ( -1.097 4.193 13.424) 14.106 1.220 ( -2.440 2.643 -0.826) 3.691 1.560 ( 4.719 2.022 -8.271) 9.734 2.020 ( 3.430 -1.324 5.434) 6.561 2.064 ( -0.158 1.190 4.077) 4.250 2.252 ( 3.713 0.892 10.712) 11.372 2.342 ( -0.916 -0.909 1.157) 1.733 2.590 ( 5.116 1.246 0.595) 5.299 2.687 ( 5.699 4.606 0.975) 7.392 2.994 ( 1.788 7.528 -1.562) 7.894 3.035 ( -3.358 3.691 -2.285) 5.488 3.213 ( -1.391 0.886 3.348) 3.732 3.363 ( -5.946 3.937 -2.143) 7.446 3.405 ( 1.225 0.715 0.628) 1.551 3.756 ( 10.409 -0.336 -4.081) 11.186 4.172 ( -2.383 -9.784 2.535) 10.385 4.317 ( 3.423 -14.626 11.342) 18.823 4.477 ( -2.957 -5.584 -9.232) 11.187 4.686 ( 3.275 -7.404 1.352) 8.208 4.829 ( -2.985 1.427 2.401) 4.088 4.988 ( -0.615 -3.038 -3.144) 4.415 5.170 ( -0.850 3.984 -5.933) 7.197 5.249 ( -9.875 3.762 -4.990) 11.686 6.182 ( 3.658 3.038 3.668) 6.006 6.316 ( -1.874 5.188 -2.488) 6.051 6.432 ( -4.871 -0.415 1.421) 5.091 6.582 ( 7.158 -3.137 -5.467) 9.538 6.872 ( 1.475 -3.047 3.390) 4.791 7.123 ( -0.515 -4.000 -8.221) 9.157 7.908 ( -9.311 4.908 4.816) 11.575 7.937 ( 13.778 5.870 2.995) 15.273 9.642 ( -2.752 -0.940 11.269) 11.639 10.026 ( 5.045 -3.791 -4.607) 7.813 10.399 ( -18.036 -1.891 3.057) 18.391 10.587 ( 1.917 -2.243 -4.420) 5.314 12.524 ( -0.759 0.733 13.310) 13.352 13.237 ( 1.678 -8.337 -18.244) 20.129 14.846 ( 9.286 3.123 7.965) 12.626 15.062 ( -7.877 2.556 -2.742) 8.724 16.205 ( -0.171 0.131 0.673) 0.706 16.226 ( 2.181 0.086 -0.373) 2.215 ======================= Grid point 253 (126/185) ======================= q-point: ( 0.11 0.12 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( 0.369 -3.124 -0.673) 3.217 1.305 ( 13.336 2.939 9.228) 16.482 1.320 ( 11.469 5.247 3.353) 13.050 1.676 ( 16.073 1.134 -8.009) 17.994 2.015 ( -4.272 -1.160 -0.421) 4.447 2.120 ( 1.992 -2.653 2.201) 3.981 2.291 ( -4.428 -0.268 1.212) 4.599 2.407 ( 4.071 3.030 3.884) 6.390 2.639 ( 2.870 -0.811 -8.157) 8.686 2.710 ( -1.647 0.813 -3.102) 3.605 2.924 ( -6.422 1.646 1.338) 6.763 3.047 ( 0.997 9.078 0.494) 9.146 3.140 ( -1.053 3.561 -5.097) 6.306 3.322 ( -3.730 6.526 10.597) 12.992 3.497 ( 8.254 0.127 -3.543) 8.983 3.920 ( 11.622 -0.755 -4.234) 12.392 4.164 ( -1.359 -6.274 5.802) 8.653 4.325 ( -3.488 -6.511 -6.717) 9.984 4.457 ( -0.003 -17.325 8.271) 19.198 4.623 ( -6.526 -12.353 -8.173) 16.186 4.801 ( -4.798 -0.028 2.378) 5.355 4.979 ( 1.454 1.356 -0.621) 2.083 5.051 ( -7.777 4.043 -0.595) 8.786 5.184 ( 3.098 6.403 4.460) 8.395 6.167 ( -6.543 3.852 0.010) 7.593 6.349 ( 6.115 5.259 0.729) 8.098 6.388 ( -0.943 -1.672 -0.735) 2.056 6.652 ( 6.080 -3.721 -4.383) 8.368 6.925 ( 0.938 -2.803 2.911) 4.149 7.038 ( -0.839 -4.593 -6.724) 8.186 7.635 ( -18.000 7.860 0.978) 19.666 8.270 ( 15.471 1.765 0.347) 15.575 9.602 ( -11.761 0.467 9.475) 15.110 10.025 ( 2.063 -1.649 -8.788) 9.177 10.307 ( 0.243 0.749 9.921) 9.952 10.710 ( 12.232 -3.479 2.132) 12.895 12.658 ( 0.688 -3.654 15.036) 15.489 13.102 ( 2.563 -9.672 -18.277) 20.836 14.777 ( -19.717 5.460 -4.941) 21.048 14.934 ( -5.253 2.228 7.193) 9.181 16.260 ( 6.162 -0.241 0.260) 6.173 16.367 ( 12.495 -0.577 -1.848) 12.644 ======================= Grid point 254 (127/185) ======================= q-point: ( 0.22 0.12 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.050 ( 5.222 4.540 -7.632) 10.301 1.553 ( 10.535 5.416 3.241) 12.281 1.613 ( 13.109 1.714 3.007) 13.558 1.843 ( 6.470 4.116 -4.955) 9.130 1.946 ( -4.317 -1.670 -1.417) 4.840 2.062 ( -6.854 -1.770 -6.566) 9.655 2.248 ( 0.714 -0.337 -2.135) 2.276 2.433 ( 0.626 -2.511 -1.051) 2.793 2.537 ( -0.693 3.599 -14.040) 14.510 2.681 ( -2.285 -3.850 0.920) 4.571 2.883 ( 1.748 1.489 1.120) 2.555 2.997 ( -1.832 -0.728 0.986) 2.204 3.176 ( 4.433 8.123 -0.662) 9.278 3.386 ( 3.072 4.749 2.801) 6.311 3.584 ( 4.907 1.582 -0.838) 5.223 4.034 ( 8.708 -2.588 -11.574) 14.713 4.197 ( -3.782 -5.501 -0.321) 6.683 4.290 ( 0.827 -1.119 12.110) 12.190 4.376 ( -9.852 -6.866 -7.266) 14.035 4.466 ( -4.085 -11.914 -0.247) 12.597 4.708 ( -5.979 -2.921 -1.039) 6.735 4.966 ( -1.699 5.870 0.920) 6.180 5.033 ( 0.196 -3.803 6.966) 7.939 5.325 ( 4.082 4.346 9.848) 11.512 6.059 ( -5.701 3.022 1.381) 6.598 6.369 ( 0.258 -2.215 -1.558) 2.720 6.460 ( 5.799 4.565 -1.521) 7.535 6.700 ( 2.968 -4.620 -2.650) 6.097 6.909 ( -1.283 -5.988 -5.144) 7.998 7.020 ( 0.388 -2.407 2.008) 3.159 7.356 ( -12.877 12.311 0.141) 17.815 8.445 ( 5.208 -0.049 -1.831) 5.521 9.503 ( -7.800 2.588 8.200) 11.609 9.961 ( 2.618 -0.457 -11.900) 12.194 10.502 ( 7.735 -0.869 12.926) 15.088 10.983 ( 12.806 -4.522 7.542) 15.535 12.769 ( -1.463 -10.403 3.784) 11.166 13.038 ( 6.473 -5.585 -6.379) 10.667 14.342 ( -22.462 8.893 -7.594) 25.324 14.855 ( -9.924 1.377 5.561) 11.459 16.394 ( 7.864 -0.521 1.166) 7.967 16.566 ( 12.200 -0.814 -2.887) 12.563 ======================= Grid point 255 (128/185) ======================= q-point: ( 0.33 0.12 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.111 ( 10.110 12.570 -7.859) 17.944 1.578 ( -13.421 6.296 -11.282) 18.629 1.710 ( 3.045 -2.299 -7.539) 8.450 1.801 ( -2.232 3.673 -1.211) 4.465 1.888 ( 2.970 -0.054 0.888) 3.101 1.969 ( 2.652 1.912 -2.894) 4.366 2.175 ( -10.798 -2.798 1.749) 11.290 2.368 ( 2.434 3.815 -14.314) 15.012 2.465 ( -9.374 0.906 -0.071) 9.417 2.635 ( 6.139 -5.804 -4.525) 9.584 2.986 ( 7.642 -2.452 -0.922) 8.078 3.077 ( 9.313 -2.766 1.451) 9.823 3.278 ( 6.006 -0.127 4.798) 7.688 3.478 ( 4.757 3.776 2.080) 6.420 3.658 ( 2.642 4.835 0.916) 5.585 3.966 ( -5.908 -6.732 -9.450) 13.020 4.035 ( -7.396 -2.436 -5.705) 9.653 4.241 ( -0.324 2.264 -2.834) 3.642 4.357 ( -1.305 -3.095 -9.943) 10.495 4.490 ( 3.707 1.396 15.252) 15.758 4.578 ( -7.861 -6.126 -2.262) 10.220 4.945 ( -1.569 4.266 0.842) 4.623 5.143 ( 1.564 -6.295 12.177) 13.797 5.473 ( 2.591 1.838 8.753) 9.311 6.016 ( -2.074 1.248 4.071) 4.736 6.362 ( 1.053 -3.110 -2.470) 4.108 6.506 ( 1.996 3.828 -3.169) 5.355 6.705 ( -0.095 -3.594 -2.148) 4.188 6.839 ( -1.723 -4.117 -3.764) 5.839 6.967 ( -5.249 1.169 -3.053) 6.184 7.303 ( 2.564 9.793 7.488) 12.592 8.421 ( -4.290 -0.079 -3.890) 5.791 9.485 ( -2.844 2.666 6.427) 7.516 9.911 ( 4.446 -0.474 -12.073) 12.874 10.769 ( 8.330 -3.568 13.783) 16.496 11.251 ( 8.131 -4.716 9.857) 13.621 12.669 ( -4.833 -13.056 -8.152) 16.133 13.177 ( 6.102 3.920 2.246) 7.593 13.945 ( -12.836 6.727 -5.272) 15.421 14.710 ( -10.944 0.219 2.260) 11.177 16.531 ( 5.585 -0.381 2.381) 6.083 16.718 ( 8.648 -0.828 -3.417) 9.335 ======================= Grid point 256 (129/185) ======================= q-point: (-0.56 0.12 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.206 ( -1.927 4.335 -14.366) 15.129 1.261 ( 5.106 17.785 -5.205) 19.221 1.587 ( -10.539 -1.035 -6.354) 12.349 1.699 ( -7.990 5.548 0.102) 9.728 1.871 ( -2.463 2.447 -5.678) 6.655 1.969 ( -4.669 -2.886 -6.583) 8.571 2.106 ( 6.055 -1.900 1.825) 6.603 2.189 ( -6.598 -3.219 -4.785) 8.763 2.453 ( 7.577 5.234 -2.609) 9.571 2.648 ( -3.367 -4.008 -0.187) 5.238 3.109 ( 6.242 -9.677 1.596) 11.626 3.283 ( 9.582 -2.692 0.638) 9.974 3.431 ( 2.484 -3.342 4.052) 5.810 3.513 ( -4.315 -3.539 -0.928) 5.658 3.645 ( 0.404 8.628 0.955) 8.690 3.839 ( -2.847 0.662 1.843) 3.456 3.888 ( -5.289 2.022 -2.654) 6.254 4.165 ( -4.123 -1.158 -5.663) 7.101 4.315 ( 8.350 1.488 -14.349) 16.668 4.401 ( -4.776 -2.194 -6.970) 8.729 4.681 ( 3.301 2.295 12.173) 12.819 4.939 ( -0.552 1.718 1.729) 2.499 5.285 ( 1.220 -6.459 12.678) 14.281 5.564 ( 0.642 -0.459 4.859) 4.923 6.057 ( 1.040 -0.159 5.965) 6.057 6.355 ( 1.137 -3.906 -3.356) 5.274 6.493 ( 0.087 2.820 -1.875) 3.388 6.623 ( -5.196 3.459 -5.181) 8.112 6.791 ( -2.429 -3.062 0.885) 4.007 6.894 ( 1.681 1.783 -5.032) 5.596 7.487 ( 6.678 5.609 12.190) 14.988 8.250 ( -9.267 0.910 -6.503) 11.358 9.497 ( -2.643 1.955 5.428) 6.346 9.889 ( 5.455 -0.914 -11.511) 12.771 11.027 ( 6.117 -8.789 14.574) 18.085 11.418 ( 1.154 -5.746 7.404) 9.443 12.521 ( -4.913 -4.386 -2.305) 6.977 13.126 ( -4.883 17.484 -13.403) 22.565 13.940 ( 9.068 -5.230 8.155) 13.270 14.523 ( -10.763 -1.153 -2.022) 11.011 16.619 ( 1.513 0.064 3.109) 3.458 16.796 ( 4.236 -0.908 -3.907) 5.834 ======================= Grid point 257 (130/185) ======================= q-point: (-0.44 0.12 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( 0.537 4.984 -6.507) 8.214 1.265 ( -4.797 4.623 -10.007) 12.022 1.458 ( -1.459 7.059 8.555) 11.187 1.512 ( -7.185 8.926 -0.150) 11.459 1.778 ( -2.446 -0.297 -4.613) 5.230 1.857 ( -0.940 3.110 -5.969) 6.796 2.132 ( 2.906 -6.301 -1.566) 7.113 2.234 ( 8.563 -2.445 -2.881) 9.360 2.490 ( -8.571 -3.150 0.972) 9.183 2.629 ( 5.426 2.659 0.175) 6.045 3.098 ( -16.842 -2.693 4.054) 17.531 3.292 ( -0.432 -5.795 -0.633) 5.846 3.392 ( -1.960 -7.963 2.691) 8.631 3.521 ( -0.028 0.619 -1.127) 1.286 3.772 ( 4.362 3.914 2.374) 6.323 3.792 ( -1.960 1.126 4.074) 4.659 3.806 ( -0.646 -0.208 -3.849) 3.909 4.061 ( -1.468 5.150 -6.821) 8.673 4.183 ( -4.836 -1.514 -4.869) 7.028 4.492 ( 17.898 1.562 -11.651) 21.413 4.820 ( 2.195 2.608 7.425) 8.170 4.948 ( 0.182 -0.467 0.354) 0.613 5.409 ( 0.508 -5.641 10.668) 12.078 5.586 ( -0.791 -2.016 0.359) 2.195 6.145 ( 2.354 -0.790 5.905) 6.406 6.335 ( 0.215 -3.049 -5.113) 5.957 6.440 ( -5.899 3.143 -0.195) 6.687 6.534 ( 1.697 5.541 -2.254) 6.218 6.755 ( -2.774 -3.304 1.055) 4.441 6.908 ( 4.216 3.441 -4.105) 6.817 7.723 ( 4.918 2.870 14.701) 15.765 8.006 ( -9.740 3.070 -8.594) 13.347 9.489 ( -4.162 1.367 5.828) 7.291 9.881 ( 5.579 -1.527 -10.949) 12.383 11.228 ( 0.955 -15.398 13.977) 20.818 11.399 ( -7.176 -9.962 0.038) 12.278 12.521 ( 1.564 14.972 9.565) 17.835 12.903 ( -1.882 14.074 -16.777) 21.979 14.228 ( 5.753 -6.959 6.493) 11.121 14.333 ( -0.207 -1.828 -3.164) 3.660 16.636 ( -3.000 0.574 3.265) 4.471 16.790 ( -0.425 -1.384 -4.545) 4.770 ======================= Grid point 258 (131/185) ======================= q-point: (-0.33 0.12 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.946 ( -7.644 1.503 -1.960) 8.033 1.202 ( -2.900 10.090 2.962) 10.908 1.466 ( 4.103 -1.931 9.175) 10.234 1.601 ( 0.946 3.060 4.493) 5.517 1.694 ( -1.882 0.602 -0.847) 2.150 1.861 ( 3.883 8.293 1.646) 9.304 2.177 ( -8.622 -5.119 -2.978) 10.460 2.256 ( 4.574 -2.859 -1.126) 5.511 2.423 ( 4.151 -2.321 -0.486) 4.781 2.624 ( -7.135 3.281 -0.881) 7.903 2.832 ( -14.862 4.607 4.566) 16.216 3.205 ( -4.881 -2.474 -0.666) 5.513 3.389 ( -3.073 -7.318 0.290) 7.942 3.595 ( -1.710 -3.200 9.325) 10.006 3.635 ( 1.501 -6.543 -4.829) 8.269 3.766 ( 0.980 1.624 -6.743) 7.005 3.869 ( -6.693 4.647 -5.240) 9.687 4.056 ( 9.490 4.347 3.562) 11.029 4.155 ( 1.421 0.745 0.380) 1.649 4.700 ( 15.240 -0.519 -7.857) 17.154 4.884 ( -0.539 1.996 1.855) 2.777 4.951 ( 1.558 -2.073 -1.480) 2.985 5.491 ( -0.634 -4.273 6.010) 7.401 5.547 ( -1.760 -2.227 -3.237) 4.305 6.201 ( -3.742 0.957 -1.459) 4.129 6.263 ( 0.152 2.317 2.672) 3.540 6.407 ( 2.017 -1.291 -1.670) 2.920 6.578 ( 2.497 2.735 2.209) 4.312 6.720 ( -2.381 -3.792 1.596) 4.754 6.961 ( 5.912 6.396 -2.571) 9.082 7.699 ( -10.131 2.651 -6.742) 12.454 7.982 ( 3.012 4.159 12.573) 13.581 9.471 ( -4.651 0.950 7.445) 8.830 9.879 ( 5.708 -2.145 -10.473) 12.119 11.178 ( -12.035 -7.072 -3.699) 14.440 11.323 ( -6.207 -23.614 9.083) 26.051 12.579 ( -2.626 23.003 -5.436) 23.782 12.944 ( 15.295 10.988 9.037) 20.888 14.071 ( -6.974 -4.277 -7.710) 11.241 14.617 ( 15.807 -3.252 5.757) 17.134 16.576 ( -7.240 0.874 3.004) 7.887 16.695 ( -5.469 -2.159 -5.219) 7.862 ======================= Grid point 259 (132/185) ======================= q-point: (-0.22 0.12 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.812 ( -8.412 -2.476 4.746) 9.970 1.275 ( -6.079 6.955 14.836) 17.477 1.472 ( -1.878 1.028 3.338) 3.966 1.651 ( -0.442 5.505 -0.911) 5.598 1.755 ( -6.065 -4.171 3.443) 8.127 1.867 ( -1.542 -0.612 8.417) 8.579 2.071 ( 4.089 8.788 8.619) 12.971 2.299 ( -13.838 -4.528 2.724) 14.812 2.403 ( 2.707 -0.110 1.383) 3.042 2.579 ( 4.125 7.280 -1.487) 8.499 2.755 ( 4.404 0.359 1.802) 4.772 3.119 ( -3.432 -3.358 -5.217) 7.090 3.328 ( -3.055 -1.466 0.820) 3.487 3.518 ( -4.383 0.811 0.075) 4.458 3.661 ( -7.982 3.257 -5.000) 9.966 3.703 ( 0.610 0.508 -8.249) 8.288 3.855 ( 8.932 -10.671 9.279) 16.726 4.181 ( 0.778 -1.693 1.638) 2.480 4.270 ( 8.292 2.801 6.674) 11.006 4.812 ( 1.558 -1.489 -7.191) 7.507 4.854 ( 1.527 -1.701 -1.975) 3.021 4.987 ( 4.171 -1.556 -2.512) 5.112 5.426 ( -3.615 -1.694 -7.744) 8.713 5.526 ( -2.386 -1.309 1.545) 3.129 6.103 ( -3.689 3.283 -0.090) 4.939 6.326 ( 1.103 3.149 3.625) 4.927 6.440 ( 4.902 -3.234 -4.396) 7.336 6.607 ( -2.889 -0.753 1.724) 3.448 6.738 ( 2.167 -4.643 3.535) 6.225 7.085 ( 9.890 6.683 0.250) 11.939 7.494 ( -4.420 6.930 -6.695) 10.601 8.108 ( -3.140 3.104 12.733) 13.477 9.480 ( -3.078 0.488 9.674) 10.163 9.893 ( 6.924 -2.718 -9.351) 11.948 10.921 ( -11.454 -5.015 -6.269) 13.988 11.184 ( -17.030 -21.727 2.412) 27.711 12.471 ( -3.245 14.260 -2.370) 14.815 13.340 ( 14.579 6.171 2.404) 16.012 14.008 ( 9.069 1.794 2.673) 9.624 14.908 ( 13.010 -1.393 2.475) 13.316 16.446 ( -10.361 0.650 2.161) 10.604 16.511 ( -10.146 -1.929 -4.391) 11.223 ======================= Grid point 260 (133/185) ======================= q-point: (-0.11 0.12 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.795 ( -1.096 -6.021 10.552) 12.199 1.134 ( -16.772 5.269 12.409) 21.519 1.363 ( -15.350 2.447 3.590) 15.953 1.606 ( -0.583 6.289 -2.656) 6.852 1.869 ( 11.121 3.364 12.116) 16.787 2.000 ( -4.421 -5.872 -0.354) 7.359 2.081 ( 1.058 -1.970 13.825) 14.004 2.284 ( 1.457 4.365 9.842) 10.864 2.510 ( 9.301 11.597 -1.993) 14.999 2.604 ( -1.725 -4.008 1.079) 4.495 2.918 ( 9.192 -4.195 1.518) 10.218 3.047 ( 1.418 4.763 -3.932) 6.337 3.260 ( -5.062 5.996 -1.432) 7.977 3.441 ( -5.665 1.040 2.654) 6.342 3.496 ( -4.859 -0.029 -5.484) 7.327 3.675 ( 4.682 0.209 -6.963) 8.393 4.093 ( 5.365 -13.420 13.130) 19.526 4.203 ( 0.852 -6.986 0.985) 7.107 4.464 ( 6.386 1.326 6.409) 9.144 4.700 ( -2.996 -4.783 -8.287) 10.027 4.858 ( -0.578 0.082 -1.029) 1.183 5.018 ( 1.935 -3.525 -3.827) 5.551 5.282 ( -3.174 0.550 -9.339) 9.879 5.440 ( -6.860 1.351 -3.231) 7.702 6.097 ( 1.379 3.116 2.906) 4.478 6.349 ( -0.512 3.907 0.385) 3.959 6.492 ( 3.831 -3.598 -3.484) 6.306 6.541 ( -3.127 -0.054 -0.621) 3.188 6.812 ( 2.205 -4.392 3.086) 5.803 7.191 ( 2.066 -2.834 -6.371) 7.272 7.555 ( 15.574 12.068 3.249) 19.968 8.090 ( -10.747 3.448 9.112) 14.506 9.548 ( -0.501 -0.181 11.436) 11.448 9.952 ( 8.357 -3.388 -6.814) 11.302 10.690 ( -7.994 -3.765 -6.765) 11.128 10.806 ( -25.031 -11.405 -0.796) 27.518 12.450 ( -2.125 6.663 7.532) 10.278 13.370 ( 1.769 -5.483 -15.346) 16.392 14.445 ( 24.466 6.203 11.680) 27.812 15.088 ( 5.883 0.404 -0.496) 5.918 16.275 ( -9.143 -0.631 0.022) 9.165 16.312 ( -9.222 0.564 -0.102) 9.240 ======================= Grid point 261 (134/185) ======================= q-point: ( 0.00 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.909 ( 3.943 2.223 11.103) 11.990 1.144 ( 0.364 3.378 6.096) 6.979 1.372 ( -2.086 12.177 0.371) 12.360 1.628 ( 2.552 4.612 -6.925) 8.703 1.928 ( 5.221 -6.878 3.226) 9.219 2.084 ( -0.345 0.973 -0.041) 1.033 2.235 ( 5.997 -1.242 12.271) 13.715 2.426 ( -5.936 7.066 5.775) 10.886 2.576 ( 3.155 -1.569 3.732) 5.133 2.787 ( 2.278 4.552 2.770) 5.795 3.098 ( -0.576 1.841 -0.248) 1.945 3.175 ( 5.234 7.791 -4.484) 10.402 3.218 ( -1.968 2.081 0.214) 2.872 3.432 ( 1.469 1.954 -2.783) 3.704 3.456 ( 0.153 5.699 3.035) 6.459 3.752 ( 8.855 -0.237 -2.693) 9.258 3.960 ( -0.566 -14.272 11.878) 18.577 4.027 ( -0.350 -10.973 -0.591) 10.995 4.351 ( -4.801 -8.295 -11.047) 14.625 4.464 ( -1.091 -14.017 -5.681) 15.163 4.828 ( -4.054 -1.508 3.980) 5.878 4.947 ( 1.655 -1.629 -2.385) 3.329 5.249 ( 0.623 4.136 -3.251) 5.298 5.325 ( -7.590 3.812 -4.178) 9.466 6.247 ( 3.634 2.579 3.591) 5.723 6.365 ( -0.914 -1.106 -1.919) 2.396 6.476 ( -4.709 5.922 0.230) 7.569 6.536 ( 5.406 -0.484 -3.057) 6.230 6.810 ( 3.030 -3.344 1.996) 4.934 7.029 ( -2.018 -5.630 -7.326) 9.457 8.019 ( -10.231 6.091 4.473) 12.719 8.055 ( 11.183 5.943 2.751) 12.959 9.634 ( -2.687 0.412 11.088) 11.416 9.937 ( 3.399 -5.266 0.851) 6.325 10.368 ( -8.901 -1.092 0.362) 8.975 10.529 ( 1.286 -3.700 -4.689) 6.109 12.549 ( -1.413 2.011 3.419) 4.211 13.045 ( -0.544 -11.011 -17.405) 20.602 14.920 ( 6.293 4.438 8.006) 11.108 15.106 ( -5.266 1.595 -1.484) 5.699 16.206 ( 0.959 0.016 0.259) 0.993 16.227 ( 0.391 -0.092 -0.571) 0.698 ======================= Grid point 262 (135/185) ======================= q-point: ( 0.11 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.070 ( 6.937 4.806 0.949) 8.493 1.359 ( 14.244 1.723 6.401) 15.711 1.419 ( 9.042 6.771 0.959) 11.337 1.748 ( 15.677 6.282 -6.353) 18.044 1.993 ( -1.957 -2.376 -2.779) 4.147 2.038 ( 1.475 -3.772 -0.356) 4.065 2.371 ( -7.315 8.488 7.007) 13.216 2.415 ( 1.235 -1.704 7.194) 7.495 2.592 ( -1.510 -4.506 -1.559) 5.001 2.775 ( -0.752 4.713 -5.915) 7.600 2.972 ( -6.953 3.609 -1.357) 7.951 3.131 ( -6.276 1.733 -0.980) 6.584 3.312 ( 8.596 11.763 -4.725) 15.316 3.454 ( 0.331 1.707 -3.753) 4.136 3.507 ( 3.298 5.514 5.601) 8.524 3.892 ( 8.028 -3.252 -0.909) 8.709 4.041 ( 4.906 -5.902 8.076) 11.141 4.107 ( 1.866 -16.994 2.591) 17.291 4.179 ( -3.429 -8.904 -4.533) 10.563 4.352 ( -3.597 -15.535 -9.310) 18.464 4.782 ( -5.293 -1.339 3.144) 6.301 4.951 ( 0.247 -3.167 -0.637) 3.240 5.158 ( -7.253 5.762 -1.394) 9.368 5.282 ( 2.222 3.753 3.504) 5.595 6.263 ( -5.208 4.948 -0.278) 7.189 6.347 ( -0.118 -2.413 -1.739) 2.977 6.441 ( 2.611 3.494 1.406) 4.583 6.598 ( 4.076 -0.227 -2.232) 4.653 6.868 ( 0.533 -3.113 -0.077) 3.159 6.933 ( -0.655 -6.117 -4.171) 7.432 7.813 ( -13.698 10.358 1.932) 17.282 8.294 ( 10.608 0.224 1.767) 10.757 9.628 ( -7.707 2.523 8.427) 11.695 9.977 ( 2.471 -3.469 -4.819) 6.432 10.327 ( 1.911 1.327 5.014) 5.528 10.622 ( 11.081 -5.534 0.285) 12.389 12.587 ( -1.134 -3.231 8.156) 8.846 12.894 ( 0.746 -11.196 -14.152) 18.061 14.884 ( -16.125 5.219 -3.157) 17.240 14.978 ( -6.155 2.066 5.916) 8.783 16.258 ( 5.983 0.061 -0.189) 5.986 16.349 ( 11.300 -1.360 -1.038) 11.429 ======================= Grid point 263 (136/185) ======================= q-point: ( 0.22 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.185 ( 10.426 9.305 -5.093) 14.874 1.623 ( 9.648 2.293 -1.349) 10.008 1.661 ( 14.272 1.743 1.765) 14.486 1.887 ( 3.195 0.427 -4.894) 5.860 1.971 ( 2.886 3.476 1.232) 4.683 2.035 ( -2.005 -0.222 -5.505) 5.863 2.288 ( -10.216 4.666 4.678) 12.166 2.392 ( -0.829 0.220 -1.054) 1.359 2.546 ( -0.120 -4.132 -4.217) 5.905 2.702 ( 0.857 5.666 -9.798) 11.350 2.923 ( 2.269 3.053 -1.529) 4.099 2.987 ( -7.786 0.725 -0.058) 7.820 3.292 ( -4.623 1.832 -2.707) 5.662 3.480 ( 5.264 6.176 -0.299) 8.121 3.635 ( 7.212 3.028 0.881) 7.871 3.937 ( 0.088 -9.034 -9.579) 13.167 4.051 ( 0.540 -11.000 -7.127) 13.118 4.181 ( -3.017 -12.121 0.549) 12.503 4.265 ( 6.621 -2.481 10.655) 12.788 4.274 ( 4.959 -3.276 3.320) 6.808 4.692 ( -7.800 0.424 1.001) 7.875 4.948 ( -1.033 -5.169 2.332) 5.764 5.066 ( -3.854 4.812 2.428) 6.626 5.374 ( 2.152 0.600 7.060) 7.405 6.145 ( -6.649 5.556 -0.129) 8.666 6.322 ( -0.130 -2.356 -2.067) 3.137 6.535 ( 5.396 1.090 1.087) 5.611 6.616 ( -0.301 -1.780 -1.767) 2.526 6.808 ( -0.648 -4.642 -5.363) 7.122 6.960 ( 0.986 -3.731 2.159) 4.422 7.620 ( -9.703 15.060 1.943) 18.020 8.423 ( 3.055 -2.717 -0.056) 4.089 9.574 ( -5.054 4.841 5.338) 8.802 9.940 ( 2.488 -1.956 -10.416) 10.886 10.489 ( 7.274 -0.236 9.221) 11.747 10.863 ( 12.953 -7.840 4.400) 15.767 12.595 ( -3.594 -6.856 -0.197) 7.744 12.887 ( 6.543 -9.470 2.501) 11.779 14.524 ( -19.368 9.467 -6.475) 22.510 14.872 ( -10.596 0.128 3.771) 11.248 16.388 ( 8.071 0.059 0.785) 8.109 16.539 ( 11.405 -2.005 -1.749) 11.711 ======================= Grid point 264 (137/185) ======================= q-point: ( 0.33 0.25 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.338 ( 11.754 9.806 -7.243) 16.934 1.645 ( 0.667 -3.022 -6.485) 7.185 1.740 ( -10.226 8.356 -10.072) 16.608 1.852 ( 4.276 1.727 -1.167) 4.757 1.963 ( -1.413 7.864 1.111) 8.067 1.998 ( -0.360 1.065 -2.348) 2.603 2.128 ( -9.697 -1.509 2.969) 10.253 2.434 ( 7.010 -1.103 -5.465) 8.957 2.463 ( -11.039 2.512 -2.881) 11.682 2.610 ( 3.250 4.298 -11.027) 12.273 2.937 ( 1.074 -2.683 -3.627) 4.638 3.006 ( 9.775 -3.853 1.588) 10.626 3.261 ( 2.262 -1.240 3.384) 4.255 3.538 ( -1.650 0.562 0.224) 1.758 3.741 ( 3.937 2.582 -3.165) 5.673 3.824 ( 0.847 -6.437 -4.250) 7.760 3.976 ( -1.188 -4.061 -6.478) 7.738 4.155 ( -0.030 -8.585 -1.754) 8.763 4.371 ( 6.710 2.348 -3.142) 7.772 4.492 ( -2.075 1.117 9.260) 9.555 4.551 ( -2.553 1.992 3.313) 4.633 4.949 ( -1.889 -5.830 1.862) 6.405 5.075 ( -0.901 1.361 9.294) 9.437 5.467 ( 1.022 -2.708 6.225) 6.865 6.063 ( -3.580 3.750 2.327) 5.683 6.304 ( 0.388 -2.791 -2.610) 3.841 6.561 ( -1.603 0.736 -1.983) 2.654 6.643 ( 4.041 -2.105 2.022) 4.985 6.767 ( 0.114 -2.644 -3.998) 4.795 6.960 ( -1.870 -1.642 -0.661) 2.575 7.551 ( -1.782 15.472 5.582) 16.544 8.399 ( -4.092 -2.670 -2.371) 5.430 9.556 ( -2.025 4.721 3.321) 6.117 9.892 ( 3.684 -1.698 -11.213) 11.924 10.699 ( 6.294 -3.107 9.626) 11.913 11.105 ( 9.077 -10.315 4.594) 14.488 12.524 ( -2.214 -2.103 0.026) 3.054 13.118 ( 11.082 -8.368 10.680) 17.518 14.132 ( -16.537 11.652 -9.335) 22.280 14.697 ( -11.670 -1.920 0.010) 11.827 16.528 ( 6.172 0.282 2.011) 6.497 16.692 ( 8.098 -2.009 -2.201) 8.629 ======================= Grid point 265 (138/185) ======================= q-point: (-0.56 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.292 ( -5.263 4.658 -9.981) 12.207 1.547 ( -6.557 -2.328 -4.468) 8.269 1.648 ( 3.382 18.856 -6.625) 20.270 1.798 ( -1.852 4.054 1.013) 4.571 1.891 ( -6.974 -2.051 -1.747) 7.477 1.962 ( -1.747 5.197 -5.609) 7.844 2.062 ( 1.047 -1.987 0.169) 2.252 2.186 ( -10.246 2.220 -6.875) 12.537 2.545 ( 7.330 4.325 -3.337) 9.142 2.578 ( -0.216 -2.474 -1.257) 2.783 2.938 ( 2.047 -7.758 -0.374) 8.033 3.206 ( 8.199 -4.976 1.696) 9.740 3.366 ( -4.372 -5.090 -4.983) 8.358 3.410 ( 3.579 -5.823 -1.333) 6.963 3.775 ( 0.972 4.711 1.622) 5.076 3.851 ( -0.534 0.960 1.249) 1.663 3.922 ( -0.901 1.114 -1.377) 1.987 4.138 ( 2.185 -1.486 -4.488) 5.209 4.323 ( -10.253 0.750 -1.645) 10.412 4.439 ( 8.540 5.201 -9.140) 13.547 4.714 ( 3.860 0.723 9.724) 10.487 4.931 ( -1.817 -4.039 2.109) 4.905 5.182 ( 1.010 -2.796 11.801) 12.170 5.516 ( -0.124 -4.705 2.691) 5.421 6.066 ( 0.092 1.351 4.208) 4.420 6.284 ( 0.629 -3.501 -3.306) 4.856 6.539 ( -0.061 1.962 0.462) 2.017 6.694 ( -0.490 3.991 -3.150) 5.108 6.729 ( -1.956 -3.543 2.561) 4.789 6.919 ( 1.375 0.711 -4.227) 4.501 7.646 ( 3.444 10.913 10.006) 15.201 8.257 ( -7.811 -0.650 -5.003) 9.299 9.550 ( -2.240 3.657 2.825) 5.135 9.860 ( 4.178 -2.203 -10.540) 11.550 10.867 ( 2.473 -7.205 9.947) 12.529 11.224 ( 1.350 -13.234 0.546) 13.314 12.574 ( 4.261 8.488 8.822) 12.962 13.354 ( 4.207 3.976 -0.216) 5.793 13.876 ( -1.674 1.370 -0.872) 2.332 14.475 ( -11.269 -4.099 -4.814) 12.922 16.625 ( 2.305 0.681 2.708) 3.621 16.770 ( 3.500 -1.793 -2.688) 4.763 ======================= Grid point 266 (139/185) ======================= q-point: (-0.44 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.197 ( -0.403 5.374 -0.506) 5.413 1.312 ( -10.466 1.309 -3.660) 11.165 1.607 ( -9.671 8.517 6.148) 14.278 1.701 ( -5.859 7.037 -5.441) 10.652 1.785 ( -2.250 0.668 -4.514) 5.088 1.950 ( 4.159 5.401 -0.565) 6.841 2.041 ( 0.107 0.583 -2.365) 2.438 2.163 ( 8.367 -3.497 -1.349) 9.168 2.457 ( -8.572 -0.219 0.738) 8.607 2.703 ( 9.280 4.561 -4.485) 11.271 2.977 ( -2.967 -8.861 3.947) 10.144 3.174 ( -1.555 -9.405 -6.575) 11.580 3.271 ( -3.623 -2.995 1.739) 5.012 3.475 ( 0.678 -4.629 -4.016) 6.165 3.764 ( -6.286 0.400 1.901) 6.579 3.824 ( -2.734 3.459 0.313) 4.420 3.919 ( 2.966 5.589 2.476) 6.794 4.132 ( -0.372 1.611 -7.550) 7.729 4.190 ( -1.518 3.195 1.313) 3.774 4.538 ( 13.099 3.125 -9.007) 16.201 4.835 ( 1.530 -2.475 6.174) 6.825 4.922 ( -1.265 -2.500 0.882) 2.937 5.307 ( 1.501 -3.997 10.132) 10.994 5.517 ( -0.326 -5.022 -1.197) 5.173 6.130 ( 2.659 -0.398 3.874) 4.716 6.273 ( 2.033 -3.304 -3.922) 5.517 6.522 ( -5.249 4.817 1.807) 7.350 6.637 ( 0.844 4.386 -2.563) 5.149 6.711 ( -3.948 -0.696 2.761) 4.868 6.950 ( 6.292 0.849 -4.508) 7.787 7.814 ( 2.206 6.601 12.258) 14.096 8.067 ( -6.462 2.863 -6.323) 9.483 9.529 ( -3.724 2.834 3.801) 6.029 9.838 ( 3.875 -3.071 -9.466) 10.679 10.961 ( -2.768 -11.690 10.474) 15.938 11.169 ( -5.521 -12.949 -3.001) 14.393 12.836 ( 12.084 17.250 15.868) 26.370 13.199 ( -6.603 15.704 -16.969) 24.045 14.071 ( 7.207 -9.230 9.106) 14.834 14.258 ( -1.491 -5.967 -6.962) 9.290 16.651 ( -2.306 0.992 2.720) 3.702 16.759 ( -1.653 -1.764 -3.280) 4.075 ======================= Grid point 267 (140/185) ======================= q-point: (-0.33 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.052 ( -11.744 7.838 2.449) 14.330 1.357 ( 1.087 1.902 8.581) 8.856 1.465 ( -4.506 5.868 6.580) 9.902 1.632 ( -2.604 1.972 2.187) 3.931 1.747 ( -0.287 3.448 0.223) 3.467 1.972 ( -1.899 -1.038 0.873) 2.333 2.123 ( 7.465 0.895 2.409) 7.895 2.245 ( -2.374 4.800 -0.374) 5.369 2.331 ( -3.646 -4.832 1.256) 6.182 2.758 ( 4.002 7.689 -8.184) 11.921 2.867 ( -7.458 -1.315 0.293) 7.579 3.172 ( -4.765 -1.510 -1.240) 5.150 3.232 ( 3.678 -8.460 2.331) 9.515 3.429 ( 0.399 -10.073 -1.439) 10.183 3.633 ( -7.928 4.288 3.374) 9.624 3.791 ( -0.805 1.264 -4.060) 4.328 3.906 ( -6.963 -0.843 -3.186) 7.704 4.144 ( 8.258 4.156 -0.908) 9.289 4.208 ( 0.192 4.993 1.664) 5.267 4.696 ( 12.061 0.038 -6.022) 13.480 4.856 ( -2.804 -7.225 -0.688) 7.780 4.916 ( 0.235 -0.263 1.456) 1.499 5.411 ( 1.296 -3.632 5.891) 7.041 5.488 ( 0.233 -3.572 -4.172) 5.497 6.207 ( 1.954 -0.119 0.874) 2.144 6.278 ( 3.358 -1.147 -3.988) 5.339 6.435 ( -4.910 4.206 2.991) 7.124 6.644 ( -3.328 2.695 0.741) 4.346 6.672 ( 0.774 0.010 0.839) 1.141 7.033 ( 7.233 0.742 -3.607) 8.117 7.801 ( -7.037 7.910 -1.879) 10.753 8.064 ( 2.813 3.934 8.613) 9.877 9.501 ( -4.360 2.274 5.895) 7.677 9.820 ( 3.579 -4.004 -8.087) 9.708 10.945 ( -9.518 -14.836 6.898) 18.928 11.020 ( -7.951 -9.589 -1.208) 12.515 12.929 ( -4.940 14.482 -18.190) 23.770 13.228 ( 14.453 16.522 13.621) 25.834 13.975 ( -3.542 -4.792 -6.310) 8.679 14.524 ( 17.589 -6.686 6.941) 20.056 16.595 ( -6.791 0.988 2.209) 7.210 16.654 ( -6.744 -1.891 -3.603) 7.877 ======================= Grid point 268 (141/185) ======================= q-point: (-0.22 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.869 ( -14.187 8.187 8.433) 18.423 1.394 ( -6.653 5.214 9.758) 12.911 1.551 ( 0.624 5.087 8.064) 9.555 1.671 ( 1.036 -2.829 2.341) 3.815 1.752 ( 0.405 4.654 1.373) 4.869 1.880 ( -6.204 2.086 6.829) 9.460 2.179 ( -9.750 -7.102 2.944) 12.416 2.264 ( -2.172 10.774 6.362) 12.699 2.341 ( 9.505 -3.862 7.874) 12.933 2.694 ( -0.922 0.396 -6.698) 6.772 2.857 ( 6.222 11.517 -2.281) 13.287 3.100 ( 0.345 0.355 -5.076) 5.100 3.267 ( 0.071 -3.994 3.041) 5.021 3.503 ( 2.631 -7.827 -2.017) 8.500 3.597 ( -0.844 -5.099 11.532) 12.637 3.699 ( -8.728 -0.081 -3.277) 9.323 3.751 ( -0.034 0.735 -8.333) 8.365 4.177 ( -1.689 1.411 -1.788) 2.835 4.311 ( 6.452 1.292 3.138) 7.290 4.739 ( -5.042 -7.117 -3.697) 9.473 4.830 ( 5.636 -0.769 -4.487) 7.245 4.931 ( 0.605 -3.514 0.087) 3.567 5.397 ( -0.754 -1.072 -7.528) 7.641 5.498 ( 0.679 -1.647 1.341) 2.230 6.177 ( -2.307 4.073 -1.350) 4.872 6.349 ( 6.660 -2.118 -2.504) 7.423 6.422 ( -1.848 2.683 3.982) 5.145 6.586 ( -2.872 -1.464 0.498) 3.262 6.705 ( 1.591 1.097 0.615) 2.028 7.113 ( 5.118 -2.679 -3.858) 6.946 7.707 ( 0.087 13.840 -1.735) 13.949 8.168 ( -2.054 2.679 10.054) 10.606 9.500 ( -3.197 1.682 8.546) 9.278 9.820 ( 4.213 -4.824 -5.791) 8.634 10.777 ( -10.987 -9.904 -1.063) 14.830 10.865 ( -12.717 -10.539 3.012) 16.789 12.711 ( -3.032 11.374 -13.437) 17.864 13.383 ( -0.032 -2.714 -9.168) 9.561 14.121 ( 18.672 10.231 10.547) 23.760 14.859 ( 14.782 -3.962 3.961) 15.808 16.456 ( -10.540 0.114 -0.592) 10.557 16.481 ( -9.606 -0.862 -0.851) 9.682 ======================= Grid point 269 (142/185) ======================= q-point: (-0.11 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.790 ( -4.851 6.447 12.409) 14.801 1.259 ( -16.888 6.933 7.231) 19.636 1.442 ( -6.714 6.077 0.090) 9.056 1.748 ( -3.850 7.717 -3.578) 9.337 1.811 ( 3.222 -8.607 4.549) 10.255 1.976 ( 5.679 3.394 7.477) 9.984 2.053 ( -1.413 -1.365 12.523) 12.676 2.398 ( 3.018 7.145 10.851) 13.338 2.514 ( -1.617 -2.704 5.864) 6.656 2.672 ( 6.644 1.668 -1.794) 7.081 2.976 ( 9.668 10.252 -1.965) 14.228 3.122 ( 5.565 2.368 -3.286) 6.883 3.289 ( -4.813 -2.165 7.140) 8.879 3.464 ( 0.767 -1.455 -6.932) 7.124 3.509 ( -7.435 3.126 -3.102) 8.641 3.679 ( 3.382 -0.171 -3.872) 5.144 3.804 ( 4.108 -14.934 10.907) 18.943 4.105 ( -4.023 -2.101 -2.352) 5.112 4.418 ( 3.908 -6.491 -0.949) 7.636 4.583 ( -6.347 -7.572 -6.883) 12.041 4.851 ( -1.436 -0.975 1.582) 2.348 4.942 ( 2.146 -3.251 -3.261) 5.080 5.305 ( -0.504 1.916 -8.408) 8.638 5.467 ( -4.056 1.055 -2.780) 5.029 6.167 ( 1.328 3.854 2.156) 4.611 6.394 ( -0.336 -1.741 -1.346) 2.226 6.454 ( 4.445 1.951 -0.057) 4.855 6.550 ( -2.376 1.423 -0.131) 2.772 6.746 ( 2.599 -2.203 0.937) 3.534 7.112 ( 0.246 -5.253 -6.122) 8.070 7.803 ( 10.316 13.018 2.110) 16.743 8.159 ( -8.459 3.282 7.454) 11.742 9.553 ( -1.109 0.894 10.769) 10.863 9.864 ( 5.009 -5.519 -2.060) 7.732 10.571 ( -12.624 -7.022 -0.030) 14.445 10.649 ( -10.216 -5.443 -2.959) 11.948 12.583 ( -1.984 7.186 -4.892) 8.917 13.224 ( -1.760 -9.356 -16.727) 19.247 14.595 ( 19.938 9.065 11.245) 24.620 15.082 ( 7.725 -1.306 0.815) 7.877 16.269 ( -8.322 0.021 -0.846) 8.365 16.318 ( -8.737 0.020 0.414) 8.747 ======================= Grid point 270 (143/185) ======================= q-point: ( 0.00 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.014 ( 4.099 7.715 3.444) 9.390 1.204 ( 2.592 1.338 -2.533) 3.864 1.603 ( -0.129 9.843 3.648) 10.498 1.701 ( 1.066 2.455 5.257) 5.899 1.851 ( 0.926 1.070 -0.581) 1.530 2.077 ( 1.234 -2.926 -2.854) 4.269 2.231 ( 3.474 2.343 13.724) 14.349 2.479 ( -2.482 -5.290 9.240) 10.932 2.631 ( -1.165 10.617 -0.721) 10.705 2.853 ( 4.128 2.220 2.757) 5.438 3.072 ( -2.827 -2.772 6.377) 7.506 3.168 ( -1.470 -2.598 -0.748) 3.077 3.355 ( 7.617 1.276 -6.808) 10.295 3.422 ( 8.620 -2.298 -4.842) 10.151 3.597 ( 3.584 7.790 8.334) 11.958 3.703 ( 0.000 -2.374 2.453) 3.413 3.766 ( 7.058 -2.185 4.402) 8.601 3.950 ( -7.326 1.485 -6.420) 9.854 4.138 ( -1.868 -14.155 -7.139) 15.963 4.228 ( -7.312 -10.271 -8.985) 15.481 4.814 ( -3.016 0.510 1.436) 3.379 4.903 ( 0.350 -2.979 -2.424) 3.856 5.323 ( 0.321 3.560 -2.145) 4.169 5.377 ( -4.984 1.453 -3.443) 6.229 6.265 ( 2.557 0.129 0.636) 2.638 6.323 ( -0.482 -2.660 -2.269) 3.529 6.571 ( 4.298 3.392 0.130) 5.477 6.605 ( -2.535 6.414 1.294) 7.017 6.751 ( 3.103 -2.293 -0.856) 3.952 6.916 ( -2.974 -6.344 -5.973) 9.207 8.118 ( -7.193 4.104 4.059) 9.223 8.142 ( 5.123 3.062 3.132) 6.740 9.665 ( -1.114 2.932 9.565) 10.066 9.836 ( 2.497 -5.390 4.481) 7.441 10.363 ( -3.567 0.702 -1.992) 4.145 10.456 ( 0.509 -3.757 -4.607) 5.966 12.603 ( -2.009 3.845 -5.072) 6.674 12.849 ( -1.830 -9.404 -15.109) 17.891 15.004 ( 3.152 4.302 5.944) 7.986 15.113 ( -2.502 -0.880 0.343) 2.675 16.207 ( 0.823 0.162 -0.124) 0.848 16.222 ( -0.139 -0.421 -0.673) 0.806 ======================= Grid point 271 (144/185) ======================= q-point: ( 0.11 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.199 ( 13.842 7.590 -0.949) 15.815 1.371 ( 16.299 -0.583 -1.448) 16.374 1.590 ( 0.280 10.755 1.237) 10.830 1.861 ( 10.119 5.025 -0.375) 11.304 1.892 ( 1.753 -5.720 3.806) 7.091 2.039 ( 1.518 0.121 -5.822) 6.018 2.375 ( -1.825 -1.533 10.456) 10.724 2.473 ( -7.619 -5.628 6.710) 11.608 2.589 ( -1.752 12.412 -0.325) 12.539 2.852 ( 0.796 2.261 -8.193) 8.536 3.041 ( -3.727 3.561 0.323) 5.165 3.145 ( -3.278 -0.737 1.393) 3.637 3.409 ( 4.795 -2.169 -5.187) 7.390 3.504 ( 5.644 4.963 -8.050) 11.013 3.660 ( -2.858 7.800 0.820) 8.348 3.726 ( -2.248 -10.467 4.361) 11.559 3.866 ( 2.023 -6.635 -0.033) 6.936 3.980 ( 4.912 -4.688 5.783) 8.919 4.056 ( 4.529 -3.325 -4.162) 6.992 4.082 ( 3.049 -10.765 -5.585) 12.505 4.769 ( -4.433 0.288 2.762) 5.231 4.876 ( -1.416 -4.465 -1.038) 4.798 5.253 ( -6.046 4.307 -1.408) 7.555 5.326 ( -0.272 0.883 2.087) 2.282 6.292 ( -0.745 -1.188 -2.214) 2.621 6.308 ( 1.274 -1.826 -0.365) 2.256 6.523 ( -4.234 6.278 -0.507) 7.589 6.649 ( 2.621 3.896 0.475) 4.720 6.799 ( -2.590 -4.928 -5.705) 7.971 6.824 ( 3.065 -4.542 1.262) 5.623 8.005 ( -8.343 9.655 2.999) 13.108 8.265 ( 4.407 -3.403 3.059) 6.353 9.698 ( -3.361 4.686 5.848) 8.213 9.896 ( 1.885 -4.935 -1.008) 5.378 10.361 ( 4.133 2.429 1.277) 4.961 10.515 ( 9.024 -5.549 -1.037) 10.645 12.553 ( -2.084 -0.037 1.246) 2.429 12.708 ( -0.614 -8.226 -9.307) 12.436 14.962 ( -12.760 3.026 -0.857) 13.141 15.004 ( -7.873 0.632 3.648) 8.700 16.265 ( 6.505 0.767 -0.395) 6.562 16.319 ( 9.609 -1.775 -0.537) 9.786 ======================= Grid point 272 (145/185) ======================= q-point: ( 0.22 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.374 ( 9.345 9.997 -4.239) 14.325 1.619 ( 10.463 -2.597 -3.669) 11.388 1.712 ( 10.395 4.072 0.527) 11.177 1.867 ( 2.961 -2.746 -3.170) 5.133 2.019 ( -0.237 2.737 0.633) 2.819 2.082 ( 9.006 3.463 -3.825) 10.380 2.318 ( -10.791 -0.684 0.946) 10.854 2.390 ( -5.901 -5.486 3.510) 8.789 2.583 ( 1.783 11.473 1.464) 11.703 2.788 ( 0.697 1.911 -8.175) 8.424 2.980 ( -2.235 2.434 -4.518) 5.598 3.039 ( -6.846 3.558 -3.355) 8.413 3.295 ( -5.796 1.862 -5.872) 8.459 3.567 ( 3.057 0.002 0.915) 3.191 3.682 ( 0.440 -1.905 -1.894) 2.722 3.733 ( 2.487 -3.902 -5.981) 7.562 3.789 ( 4.214 -15.136 -3.804) 16.165 3.991 ( -0.046 -8.453 -1.033) 8.516 4.258 ( 10.979 2.409 2.707) 11.562 4.287 ( 10.892 1.670 10.832) 15.452 4.705 ( -6.483 0.987 3.019) 7.220 4.839 ( -2.714 -5.969 0.871) 6.615 5.160 ( -4.627 5.263 1.831) 7.244 5.348 ( -0.950 -3.247 4.747) 5.829 6.235 ( -4.364 3.116 -1.595) 5.595 6.292 ( -0.813 -0.801 -1.720) 2.064 6.504 ( 1.276 -0.512 1.749) 2.225 6.625 ( -3.325 -1.552 -2.249) 4.304 6.759 ( 2.450 0.661 -2.702) 3.707 6.886 ( 1.795 -3.965 1.748) 4.690 7.903 ( -6.425 14.546 3.118) 16.205 8.331 ( 0.252 -7.178 1.864) 7.420 9.678 ( -2.145 6.013 1.350) 6.525 9.884 ( 1.729 -4.043 -7.183) 8.422 10.505 ( 7.734 2.208 4.951) 9.444 10.708 ( 11.479 -8.050 1.987) 14.161 12.529 ( -2.029 -0.203 1.653) 2.625 12.711 ( 4.378 -8.631 4.481) 10.665 14.680 ( -16.400 6.994 -4.000) 18.272 14.853 ( -11.933 -2.238 1.436) 12.225 16.402 ( 8.537 1.404 0.448) 8.664 16.493 ( 10.393 -2.815 -0.681) 10.789 ======================= Grid point 273 (146/185) ======================= q-point: ( 0.33 0.38 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.473 ( 5.560 5.129 -5.829) 9.550 1.600 ( -2.205 -1.971 -7.388) 7.958 1.848 ( 0.938 3.416 -3.367) 4.887 1.882 ( 5.543 1.401 -3.729) 6.826 2.014 ( -5.105 1.284 -0.088) 5.265 2.109 ( -6.055 -1.510 0.788) 6.290 2.146 ( -0.884 9.749 -4.153) 10.634 2.370 ( 4.187 -3.513 -2.659) 6.078 2.564 ( -7.380 6.169 -1.873) 9.800 2.689 ( -4.500 0.812 -8.238) 9.422 2.916 ( 1.096 0.303 -5.803) 5.913 2.965 ( 6.120 1.207 -1.655) 6.454 3.249 ( 3.009 0.016 -0.323) 3.026 3.433 ( -8.291 -8.535 -8.245) 14.476 3.749 ( 3.685 -1.827 5.591) 6.941 3.809 ( 6.420 3.972 -0.264) 7.555 3.865 ( 5.462 -7.311 -3.108) 9.640 4.010 ( 3.964 -6.048 -1.825) 7.458 4.431 ( 7.033 4.679 -0.299) 8.452 4.540 ( 5.518 2.205 8.645) 10.490 4.596 ( -6.411 2.545 1.534) 7.066 4.801 ( -3.280 -8.569 2.239) 9.444 5.138 ( -2.111 4.588 6.117) 7.933 5.377 ( -1.100 -6.422 5.095) 8.271 6.145 ( -4.092 4.436 -0.147) 6.037 6.261 ( -0.982 -2.004 -2.272) 3.185 6.539 ( 0.052 -1.244 1.050) 1.629 6.602 ( 2.325 -3.152 1.732) 4.283 6.775 ( 1.414 3.037 -1.818) 3.812 6.914 ( 0.181 -3.148 0.550) 3.201 7.852 ( -3.244 15.660 4.139) 16.519 8.307 ( -3.814 -7.370 -0.103) 8.299 9.656 ( -0.832 5.621 -0.797) 5.738 9.843 ( 2.328 -3.558 -8.785) 9.760 10.674 ( 5.682 0.831 5.105) 7.684 10.900 ( 7.897 -10.428 1.248) 13.140 12.567 ( 2.844 5.870 7.634) 10.041 12.923 ( 10.362 -11.206 12.750) 19.887 14.343 ( -15.868 10.268 -8.036) 20.538 14.632 ( -12.895 -4.920 -2.590) 14.043 16.546 ( 6.731 1.665 1.456) 7.085 16.644 ( 7.598 -2.897 -0.739) 8.165 ======================= Grid point 274 (147/185) ======================= q-point: (-0.56 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.370 ( -6.371 3.505 -7.336) 10.330 1.483 ( -5.507 -3.423 -5.713) 8.642 1.830 ( -7.054 1.723 -1.675) 7.452 1.875 ( -4.834 -0.281 -4.033) 6.301 1.922 ( 6.008 6.919 -1.254) 9.248 2.029 ( 1.674 -0.699 -2.516) 3.102 2.104 ( -3.253 8.630 -3.032) 9.708 2.242 ( -12.129 2.482 -4.914) 13.319 2.566 ( 5.383 1.185 -1.052) 5.611 2.602 ( 2.244 1.349 -0.266) 2.632 2.855 ( -0.070 -0.489 -6.054) 6.074 3.069 ( 1.244 -10.196 -5.107) 11.471 3.260 ( -0.390 -1.979 -4.155) 4.618 3.345 ( 5.879 -2.860 -1.139) 6.636 3.825 ( -2.863 1.622 7.100) 7.826 3.899 ( 5.861 4.194 -4.238) 8.360 3.924 ( 2.242 -1.298 2.818) 3.828 4.086 ( 7.625 -4.313 -4.894) 10.034 4.393 ( -10.342 6.653 2.584) 12.566 4.545 ( 5.032 5.274 -5.404) 9.074 4.701 ( 1.141 -2.254 6.588) 7.055 4.791 ( 0.565 -9.030 2.676) 9.435 5.192 ( 0.270 2.926 8.192) 8.703 5.400 ( -0.653 -6.997 3.160) 7.705 6.108 ( -0.563 2.891 0.897) 3.079 6.223 ( -0.093 -3.041 -2.891) 4.197 6.569 ( 1.563 1.452 2.262) 3.110 6.661 ( 0.214 -3.480 2.910) 4.541 6.777 ( 0.348 4.714 -0.348) 4.740 6.913 ( 0.769 -1.559 -1.423) 2.246 7.871 ( 0.074 12.164 5.922) 13.529 8.210 ( -5.644 -4.637 -2.176) 7.622 9.631 ( -1.377 4.735 -0.704) 4.981 9.804 ( 2.192 -3.735 -8.103) 9.188 10.781 ( 1.316 -1.464 5.038) 5.409 10.982 ( 1.557 -11.376 -1.123) 11.537 12.784 ( 10.149 12.840 14.593) 21.928 13.268 ( 13.574 -10.412 13.506) 21.797 14.009 ( -11.525 10.357 -10.506) 18.721 14.367 ( -12.067 -7.282 -7.678) 16.050 16.647 ( 2.871 1.633 1.914) 3.817 16.730 ( 3.112 -2.371 -1.034) 4.047 ======================= Grid point 275 (148/185) ======================= q-point: (-0.44 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.258 ( -1.886 1.823 1.006) 2.809 1.318 ( -7.798 -0.853 -2.344) 8.187 1.702 ( -6.915 1.649 1.736) 7.318 1.757 ( -3.322 -1.397 -1.330) 3.841 1.846 ( -11.493 7.095 -1.322) 13.571 1.989 ( -5.431 0.376 -2.143) 5.850 2.104 ( 2.848 2.819 -0.427) 4.030 2.201 ( 10.783 4.254 -0.981) 11.633 2.506 ( -7.275 6.478 0.098) 9.742 2.753 ( 8.763 -1.031 -1.587) 8.965 2.842 ( 2.104 -3.407 -2.142) 4.541 2.961 ( 0.383 -11.282 -7.968) 13.817 3.255 ( -2.201 0.728 -0.601) 2.395 3.380 ( 0.052 -5.031 -4.254) 6.589 3.803 ( -3.334 3.351 1.581) 4.984 3.925 ( -0.473 7.018 -1.310) 7.155 3.953 ( -2.695 -1.795 1.848) 3.728 4.146 ( 5.008 -0.834 -6.017) 7.872 4.293 ( -3.001 7.842 4.331) 9.448 4.592 ( 5.668 0.941 -3.477) 6.716 4.728 ( -1.922 -6.237 3.172) 7.256 4.848 ( 2.379 -5.237 1.203) 5.876 5.282 ( 1.794 0.978 6.815) 7.115 5.414 ( 0.546 -5.398 0.289) 5.433 6.137 ( 2.821 1.107 0.778) 3.129 6.215 ( 2.516 -2.797 -3.227) 4.957 6.596 ( -2.992 2.731 2.406) 4.712 6.652 ( -1.480 -1.040 1.020) 2.076 6.775 ( -1.386 5.628 1.062) 5.893 6.939 ( 4.291 -2.012 -2.140) 5.200 7.950 ( 0.795 7.115 7.467) 10.344 8.097 ( -3.552 -0.019 -2.741) 4.487 9.595 ( -2.787 4.141 0.877) 5.068 9.767 ( 1.321 -4.318 -6.458) 7.880 10.812 ( -3.452 -3.901 5.439) 7.532 10.948 ( -3.152 -9.904 -2.123) 10.608 13.149 ( 13.451 15.624 16.081) 26.147 13.439 ( -2.310 7.562 -8.821) 11.846 13.915 ( 5.528 -5.332 5.437) 9.410 14.116 ( -2.690 -8.733 -9.781) 13.386 16.672 ( -1.943 1.265 1.661) 2.852 16.727 ( -2.138 -1.620 -1.621) 3.134 ======================= Grid point 276 (149/185) ======================= q-point: (-0.33 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.185 ( -8.467 5.728 4.839) 11.310 1.322 ( 1.128 -2.818 7.832) 8.400 1.589 ( -7.161 4.170 6.860) 10.757 1.700 ( -3.055 2.042 0.322) 3.689 1.797 ( 1.536 3.798 5.704) 7.023 1.930 ( -0.494 -0.705 2.655) 2.791 2.116 ( -1.022 0.198 -0.581) 1.192 2.242 ( -9.374 -4.409 0.128) 10.360 2.468 ( 4.821 13.718 1.987) 14.676 2.768 ( -1.380 -5.292 -2.199) 5.894 2.890 ( 7.954 3.455 -6.743) 10.985 3.035 ( 7.940 -9.385 -1.415) 12.374 3.168 ( -3.818 -0.402 0.153) 3.842 3.289 ( -5.385 -5.620 -3.438) 8.509 3.751 ( -2.117 4.851 -2.501) 5.854 3.857 ( -7.613 5.220 0.348) 9.237 3.862 ( -5.428 0.562 -1.131) 5.573 4.187 ( 5.361 -0.409 -5.820) 7.923 4.322 ( 0.213 6.392 3.645) 7.361 4.632 ( -3.810 -10.225 3.715) 11.527 4.744 ( 6.433 0.062 -4.571) 7.892 4.877 ( 0.839 -3.851 -0.610) 3.988 5.370 ( 2.474 -0.613 3.548) 4.369 5.425 ( 1.978 -2.910 -2.309) 4.209 6.207 ( 4.350 0.305 -0.098) 4.361 6.247 ( 4.685 -1.697 -3.639) 6.171 6.519 ( -5.971 4.001 1.591) 7.362 6.622 ( -4.044 -1.979 0.712) 4.558 6.768 ( 0.469 6.719 -0.111) 6.737 6.997 ( 4.079 -4.025 -2.170) 6.128 7.963 ( -2.471 8.154 0.744) 8.553 8.111 ( 2.090 0.712 5.807) 6.213 9.558 ( -3.548 3.755 3.418) 6.194 9.733 ( 0.600 -4.980 -4.129) 6.497 10.760 ( -7.730 -4.919 4.426) 10.176 10.851 ( -5.880 -7.805 -1.455) 9.879 13.169 ( -6.632 11.487 -16.926) 21.504 13.436 ( 1.068 2.873 -2.213) 3.780 13.962 ( 10.236 5.511 3.557) 12.157 14.365 ( 19.251 -10.100 8.354) 23.290 16.610 ( -6.625 0.579 0.993) 6.724 16.628 ( -7.105 -0.825 -2.101) 7.455 ======================= Grid point 277 (150/185) ======================= q-point: (-0.22 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( -11.265 11.663 8.109) 18.130 1.418 ( 2.562 -4.070 7.480) 8.893 1.599 ( -8.838 2.445 4.116) 10.052 1.674 ( -0.904 0.315 6.374) 6.445 1.846 ( -2.005 5.704 6.779) 9.084 1.958 ( -1.008 6.200 4.479) 7.715 2.054 ( -6.834 -5.654 2.460) 9.204 2.221 ( 8.228 -6.285 7.518) 12.795 2.540 ( -1.538 14.769 5.853) 15.961 2.705 ( -3.598 1.651 -0.882) 4.056 2.992 ( 11.809 2.777 -6.418) 13.724 3.102 ( 6.961 -1.614 -7.465) 10.334 3.168 ( -5.210 -7.220 2.166) 9.163 3.245 ( 4.130 -12.459 5.899) 14.390 3.691 ( -1.709 6.827 -2.658) 7.523 3.701 ( -6.851 2.005 -4.104) 8.234 3.772 ( -4.525 4.189 -0.757) 6.212 4.187 ( 1.399 -2.776 -6.967) 7.629 4.331 ( -2.659 1.775 1.202) 3.415 4.552 ( -7.193 -10.979 1.587) 13.222 4.824 ( 5.419 0.192 -3.438) 6.421 4.878 ( 1.025 -2.273 -1.505) 2.912 5.393 ( 1.335 0.676 -5.093) 5.308 5.462 ( 2.537 -2.204 -0.014) 3.360 6.243 ( 0.554 2.826 -1.922) 3.463 6.310 ( 5.653 -1.602 -3.171) 6.677 6.472 ( -1.887 2.245 3.808) 4.806 6.552 ( -2.676 -2.021 -0.225) 3.361 6.774 ( 0.485 5.777 -1.261) 5.933 7.025 ( 1.924 -5.999 -3.301) 7.112 7.954 ( 1.138 11.503 0.899) 11.594 8.188 ( -0.938 -0.918 7.029) 7.150 9.547 ( -2.737 3.345 6.478) 7.787 9.721 ( 0.979 -5.432 -0.912) 5.594 10.638 ( -9.366 -3.760 1.874) 10.265 10.717 ( -8.197 -6.273 -1.437) 10.421 12.912 ( -4.175 10.101 -17.081) 20.278 13.268 ( -5.345 -8.309 -15.570) 18.440 14.351 ( 20.493 12.907 11.308) 26.728 14.753 ( 16.957 -7.441 5.970) 19.457 16.456 ( -10.130 0.177 -1.835) 10.296 16.473 ( -9.574 -0.349 0.280) 9.585 ======================= Grid point 278 (151/185) ======================= q-point: (-0.11 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.988 ( -5.966 12.719 7.485) 15.918 1.343 ( -13.195 -0.016 -3.378) 13.621 1.557 ( 2.127 4.362 6.817) 8.368 1.654 ( -5.859 -4.726 6.813) 10.153 1.897 ( 0.319 5.817 -0.612) 5.858 2.014 ( 1.967 -1.757 3.583) 4.449 2.069 ( 0.339 6.834 13.161) 14.833 2.406 ( 3.109 -5.575 6.983) 9.461 2.618 ( 0.607 11.048 7.608) 13.428 2.692 ( 4.350 2.720 4.186) 6.621 3.072 ( -2.619 -3.224 2.776) 4.996 3.148 ( 8.270 0.629 -4.675) 9.521 3.237 ( 8.718 -2.396 -1.050) 9.102 3.338 ( 1.752 -12.478 3.216) 13.004 3.579 ( -2.222 4.540 -4.041) 6.471 3.668 ( 1.527 4.563 0.143) 4.814 3.705 ( -1.573 1.959 -1.307) 2.831 4.112 ( -2.985 0.013 -6.843) 7.466 4.247 ( -5.074 -8.990 -3.122) 10.784 4.418 ( -7.512 -9.230 -3.583) 12.428 4.841 ( -0.954 0.474 0.276) 1.100 4.900 ( 2.931 -1.829 -2.926) 4.527 5.354 ( 0.692 3.163 -6.030) 6.844 5.465 ( -1.211 -1.406 -2.743) 3.312 6.232 ( 0.543 3.153 -0.256) 3.209 6.345 ( 0.995 -2.727 -2.374) 3.750 6.498 ( 2.474 2.191 1.115) 3.488 6.573 ( 2.575 -0.327 2.576) 3.657 6.756 ( -0.271 3.941 -2.681) 4.775 6.999 ( -0.676 -6.604 -4.778) 8.179 8.019 ( 4.450 9.502 2.415) 10.766 8.194 ( -5.206 0.083 5.601) 7.647 9.588 ( -0.920 2.874 9.124) 9.610 9.757 ( 2.107 -5.620 2.873) 6.654 10.487 ( -8.538 -1.818 -0.339) 8.736 10.557 ( -6.594 -4.350 -3.870) 8.797 12.720 ( -2.415 7.418 -12.127) 14.420 13.040 ( -3.107 -9.705 -17.158) 19.956 14.769 ( 15.664 9.005 8.666) 20.039 15.031 ( 9.932 -4.235 2.639) 11.115 16.276 ( -7.923 0.717 -1.006) 8.018 16.311 ( -8.426 -0.719 -0.068) 8.457 ======================= Grid point 279 (152/185) ======================= q-point: ( 0.00 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.155 ( 4.015 -6.104 -3.296) 8.015 1.155 ( 4.015 6.104 -3.296) 8.015 1.703 ( 2.547 -2.443 9.596) 10.225 1.703 ( 2.547 2.443 9.596) 10.225 1.970 ( -1.916 -7.971 -3.277) 8.829 1.970 ( -1.916 7.971 -3.277) 8.829 2.335 ( -0.350 -8.035 11.024) 13.646 2.335 ( -0.350 8.035 11.024) 13.646 2.829 ( 3.271 -6.781 -3.541) 8.320 2.829 ( 3.271 6.781 -3.541) 8.320 3.074 ( -2.685 -4.764 9.618) 11.064 3.074 ( -2.685 4.764 9.618) 11.064 3.349 ( 7.735 -3.063 -3.782) 9.139 3.349 ( 7.735 3.063 -3.782) 9.139 3.704 ( 6.787 -3.954 2.633) 8.284 3.704 ( 6.787 3.954 2.633) 8.284 3.869 ( -0.199 -13.213 -3.774) 13.743 3.869 ( -0.199 13.213 -3.774) 13.743 4.053 ( -9.377 -8.073 -7.290) 14.362 4.053 ( -9.377 8.073 -7.290) 14.362 4.846 ( -1.487 -2.708 -1.264) 3.338 4.846 ( -1.487 2.708 -1.264) 3.338 5.374 ( -1.865 -1.663 -2.543) 3.566 5.374 ( -1.865 1.663 -2.543) 3.566 6.280 ( 0.676 -1.657 -1.660) 2.441 6.280 ( 0.676 1.657 -1.660) 2.441 6.636 ( 3.873 -2.798 2.743) 5.510 6.636 ( 3.873 2.798 2.743) 5.510 6.794 ( -2.715 -6.248 -4.887) 8.384 6.794 ( -2.715 6.248 -4.887) 8.384 8.165 ( -1.624 -0.706 3.619) 4.029 8.165 ( -1.624 0.706 3.619) 4.029 9.739 ( 0.957 -4.712 7.203) 8.660 9.739 ( 0.957 4.712 7.203) 8.660 10.395 ( -0.874 -2.579 -3.693) 4.588 10.395 ( -0.874 2.579 -3.693) 4.588 12.699 ( -2.216 -6.456 -11.118) 13.046 12.699 ( -2.216 6.456 -11.118) 13.046 15.075 ( 0.242 -3.043 2.948) 4.244 15.075 ( 0.242 3.043 2.948) 4.244 16.213 ( 0.210 -0.432 -0.493) 0.688 16.213 ( 0.210 0.432 -0.493) 0.688 ======================= Grid point 281 (153/185) ======================= q-point: ( 0.11 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.321 ( 16.761 -4.833 -3.631) 17.818 1.321 ( 16.761 4.833 -3.631) 17.818 1.775 ( -2.117 -7.670 2.131) 8.237 1.775 ( -2.117 7.670 2.131) 8.237 1.969 ( 6.060 -6.461 0.417) 8.868 1.969 ( 6.060 6.461 0.417) 8.868 2.387 ( -5.486 -2.811 8.497) 10.498 2.387 ( -5.486 2.811 8.497) 10.498 2.807 ( 1.129 -8.004 -6.850) 10.595 2.807 ( 1.129 8.004 -6.850) 10.595 3.106 ( -2.256 -2.981 3.750) 5.295 3.106 ( -2.256 2.981 3.750) 5.295 3.422 ( 5.027 -5.081 -2.129) 7.458 3.422 ( 5.027 5.081 -2.129) 7.458 3.741 ( -8.385 -6.258 -6.778) 12.466 3.741 ( -8.385 6.258 -6.778) 12.466 3.822 ( 1.299 -9.501 -3.359) 10.161 3.822 ( 1.299 9.501 -3.359) 10.161 4.022 ( 11.422 -1.620 5.259) 12.678 4.022 ( 11.422 1.620 5.259) 12.678 4.800 ( -3.188 -3.091 0.419) 4.460 4.800 ( -3.188 3.091 0.419) 4.460 5.315 ( -3.486 -2.039 -0.032) 4.038 5.315 ( -3.486 2.039 -0.032) 4.038 6.281 ( 0.862 -0.523 -1.303) 1.648 6.281 ( 0.862 0.523 -1.303) 1.648 6.648 ( -4.996 -5.846 -1.287) 7.797 6.648 ( -4.996 5.846 -1.287) 7.797 6.756 ( 3.589 -2.736 -0.979) 4.618 6.756 ( 3.589 2.736 -0.979) 4.618 8.165 ( -2.128 -7.081 3.498) 8.180 8.165 ( -2.128 7.081 3.498) 8.180 9.796 ( -0.033 -5.510 2.537) 6.066 9.796 ( -0.033 5.510 2.537) 6.066 10.422 ( 6.555 -4.133 -0.763) 7.786 10.422 ( 6.555 4.133 -0.763) 7.786 12.591 ( -1.694 -4.100 -4.385) 6.237 12.591 ( -1.694 4.100 -4.385) 6.237 15.000 ( -10.071 -1.071 1.349) 10.217 15.000 ( -10.071 1.071 1.349) 10.217 16.287 ( 7.841 -1.494 -0.416) 7.993 16.287 ( 7.841 1.494 -0.416) 7.993 ======================= Grid point 283 (154/185) ======================= q-point: ( 0.22 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.535 ( 8.922 -6.565 -4.765) 12.058 1.535 ( 8.922 6.565 -4.765) 12.058 1.795 ( 6.385 -4.460 -0.980) 7.850 1.795 ( 6.385 4.460 -0.980) 7.850 2.087 ( 4.957 -3.111 -1.087) 5.953 2.087 ( 4.957 3.111 -1.087) 5.953 2.316 ( -6.797 -1.394 2.855) 7.503 2.316 ( -6.797 1.394 2.855) 7.503 2.763 ( -1.235 -5.195 -2.794) 6.027 2.763 ( -1.235 5.195 -2.794) 6.027 3.031 ( -5.120 -3.463 -4.891) 7.882 3.031 ( -5.120 3.463 -4.891) 7.882 3.444 ( -1.679 -11.963 -8.897) 15.003 3.444 ( -1.679 11.963 -8.897) 15.003 3.601 ( 1.369 -1.485 3.365) 3.925 3.601 ( 1.369 1.485 3.365) 3.925 3.843 ( 4.436 -7.558 -2.995) 9.261 3.843 ( 4.436 7.558 -2.995) 9.261 4.300 ( 12.157 -0.981 6.455) 13.800 4.300 ( 12.157 0.981 6.455) 13.800 4.744 ( -4.945 -3.605 2.119) 6.476 4.744 ( -4.945 3.605 2.119) 6.476 5.263 ( -3.609 -5.389 2.568) 6.976 5.263 ( -3.609 5.389 2.568) 6.976 6.272 ( -1.227 -1.502 -1.102) 2.230 6.272 ( -1.227 1.502 -1.102) 2.230 6.552 ( -2.932 -4.535 -1.297) 5.554 6.552 ( -2.932 4.535 -1.297) 5.554 6.812 ( 2.495 -3.820 0.371) 4.577 6.812 ( 2.495 3.820 0.371) 4.578 8.153 ( -2.970 -11.591 3.076) 12.354 8.153 ( -2.970 11.591 3.076) 12.354 9.791 ( 0.169 -5.654 -3.002) 6.404 9.791 ( 0.169 5.654 -3.002) 6.404 10.577 ( 9.330 -5.525 2.164) 11.057 10.577 ( 9.330 5.525 2.164) 11.057 12.578 ( 1.192 -5.163 3.738) 6.485 12.578 ( 1.192 5.163 3.738) 6.485 14.789 ( -13.901 -4.552 -1.213) 14.678 14.789 ( -13.901 4.552 -1.213) 14.678 16.440 ( 9.360 -2.572 0.029) 9.707 16.440 ( 9.360 2.572 0.029) 9.707 ======================= Grid point 285 (155/185) ======================= q-point: ( 0.33 -0.50 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.552 ( -0.004 -3.374 -6.217) 7.074 1.552 ( -0.004 3.374 -6.217) 7.074 1.889 ( 4.880 -0.898 -4.466) 6.676 1.889 ( 4.880 0.898 -4.466) 6.676 2.058 ( -7.152 -3.234 1.711) 8.034 2.058 ( -7.152 3.234 1.711) 8.034 2.294 ( 4.555 -5.572 -5.034) 8.783 2.294 ( 4.555 5.572 -5.034) 8.783 2.653 ( -8.048 -3.310 -2.845) 9.155 2.653 ( -8.048 3.310 -2.845) 9.155 2.956 ( 2.170 -3.793 -4.584) 6.333 2.956 ( 2.170 3.793 -4.584) 6.333 3.304 ( -2.096 -5.809 -7.458) 9.683 3.304 ( -2.096 5.809 -7.458) 9.683 3.743 ( 5.502 -2.871 7.419) 9.673 3.743 ( 5.502 2.871 7.419) 9.673 3.909 ( 6.293 -5.199 -3.319) 8.812 3.909 ( 6.293 5.199 -3.319) 8.812 4.527 ( 9.025 -3.963 2.270) 10.115 4.527 ( 9.025 3.963 2.270) 10.115 4.662 ( -7.161 -5.251 3.094) 9.403 4.662 ( -7.161 5.251 3.094) 9.403 5.247 ( -2.216 -6.794 4.996) 8.720 5.247 ( -2.216 6.794 4.996) 8.720 6.216 ( -3.012 -2.989 -1.584) 4.529 6.216 ( -3.012 2.989 -1.584) 4.529 6.546 ( 1.546 -2.049 1.656) 3.054 6.546 ( 1.546 2.049 1.656) 3.054 6.846 ( 1.107 -3.937 0.270) 4.098 6.846 ( 1.107 3.937 0.270) 4.098 8.120 ( -3.605 -12.351 2.256) 13.062 8.120 ( -3.605 12.351 2.256) 13.062 9.759 ( 0.676 -5.146 -5.055) 7.245 9.759 ( 0.676 5.146 -5.055) 7.245 10.739 ( 6.445 -6.172 1.812) 9.105 10.739 ( 6.445 6.172 1.812) 9.105 12.720 ( 7.358 -9.865 11.635) 16.936 12.720 ( 7.358 9.865 11.635) 16.936 14.513 ( -14.379 -7.697 -5.351) 17.165 14.513 ( -14.379 7.697 -5.351) 17.165 16.589 ( 7.180 -2.778 0.552) 7.719 16.589 ( 7.180 2.778 0.552) 7.719 ======================= Grid point 287 (156/185) ======================= q-point: (-0.56 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.427 ( -6.341 -2.718 -6.341) 9.370 1.427 ( -6.341 2.718 -6.341) 9.370 1.858 ( -5.210 -1.364 -3.466) 6.404 1.858 ( -5.210 1.364 -3.466) 6.404 1.999 ( 1.797 -2.581 -0.770) 3.238 1.999 ( 1.797 2.581 -0.770) 3.238 2.235 ( -6.105 -3.826 -4.320) 8.401 2.235 ( -6.105 3.826 -4.320) 8.401 2.602 ( 4.557 -1.538 -0.260) 4.817 2.602 ( 4.557 1.538 -0.260) 4.817 2.902 ( -2.721 -5.660 -7.229) 9.576 2.902 ( -2.721 5.660 -7.229) 9.576 3.285 ( 3.799 -3.210 -2.641) 5.631 3.285 ( 3.799 3.210 -2.641) 5.631 3.872 ( 0.804 -3.379 6.820) 7.654 3.872 ( 0.804 3.379 6.820) 7.654 3.991 ( 7.769 -5.254 -5.220) 10.733 3.991 ( 7.769 5.254 -5.220) 10.733 4.545 ( -7.194 -7.845 2.860) 11.022 4.545 ( -7.194 7.845 2.860) 11.022 4.674 ( 5.065 -3.107 0.446) 5.959 4.674 ( 5.065 3.107 0.446) 5.959 5.275 ( -0.278 -5.771 5.390) 7.901 5.275 ( -0.278 5.771 5.390) 7.901 6.166 ( -0.640 -3.116 -1.682) 3.598 6.166 ( -0.640 3.116 -1.682) 3.598 6.604 ( 1.684 -2.439 3.037) 4.244 6.604 ( 1.684 2.439 3.037) 4.244 6.860 ( 0.526 -3.838 0.286) 3.885 6.860 ( 0.526 3.838 0.286) 3.885 8.078 ( -2.967 -9.294 1.649) 9.894 8.078 ( -2.967 9.294 1.649) 9.894 9.722 ( 0.133 -4.786 -4.535) 6.594 9.722 ( 0.133 4.786 -4.535) 6.594 10.819 ( 1.450 -5.490 0.886) 5.747 10.819 ( 1.450 5.490 0.886) 5.747 13.035 ( 13.418 -13.366 16.111) 24.865 13.035 ( 13.418 13.366 16.111) 24.865 14.205 ( -12.587 -9.781 -10.103) 18.872 14.205 ( -12.587 9.781 -10.103) 18.872 16.685 ( 3.043 -2.324 0.622) 3.880 16.685 ( 3.043 2.324 0.622) 3.880 ======================= Grid point 289 (157/185) ======================= q-point: (-0.44 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.290 ( -4.415 -1.732 -0.448) 4.764 1.290 ( -4.415 1.732 -0.448) 4.764 1.727 ( -6.264 -1.478 -0.626) 6.467 1.727 ( -6.264 1.478 -0.626) 6.467 1.953 ( -6.894 -3.929 0.205) 7.938 1.953 ( -6.894 3.929 0.205) 7.938 2.189 ( 2.974 -4.252 -0.685) 5.233 2.189 ( 2.974 4.252 -0.685) 5.233 2.663 ( -0.097 -7.940 -1.518) 8.085 2.663 ( -0.097 7.940 -1.518) 8.085 2.829 ( 4.847 -1.771 -5.027) 7.205 2.829 ( 4.847 1.771 -5.027) 7.205 3.296 ( -0.991 -3.571 -2.938) 4.729 3.296 ( -0.991 3.571 -2.938) 4.729 3.880 ( -3.536 -4.528 1.092) 5.848 3.880 ( -3.536 4.528 1.092) 5.848 4.071 ( 5.455 -6.787 -3.756) 9.483 4.071 ( 5.455 6.787 -3.756) 9.483 4.471 ( -5.238 -10.229 5.134) 12.587 4.471 ( -5.238 10.229 5.134) 12.587 4.743 ( 3.968 -5.115 -1.588) 6.666 4.743 ( 3.968 5.115 -1.588) 6.666 5.327 ( 1.431 -3.646 3.422) 5.201 5.327 ( 1.431 3.646 3.422) 5.201 6.169 ( 2.746 -2.134 -1.805) 3.918 6.169 ( 2.746 2.134 -1.805) 3.918 6.631 ( -1.786 -1.246 1.965) 2.934 6.631 ( -1.786 1.246 1.965) 2.934 6.876 ( 1.009 -4.611 0.278) 4.729 6.876 ( 1.009 4.611 0.278) 4.729 8.059 ( -1.023 -4.082 2.077) 4.693 8.059 ( -1.023 4.082 2.077) 4.693 9.680 ( -1.122 -4.746 -2.668) 5.559 9.680 ( -1.122 4.746 -2.668) 5.559 10.813 ( -2.765 -3.920 0.817) 4.866 10.813 ( -2.765 3.920 0.817) 4.866 13.403 ( 9.652 -10.100 10.376) 17.402 13.403 ( 9.652 10.100 10.376) 17.402 13.950 ( -2.195 -7.728 -8.663) 11.815 13.950 ( -2.195 7.728 -8.663) 11.815 16.698 ( -2.023 -1.453 0.131) 2.495 16.698 ( -2.023 1.453 0.131) 2.495 ======================= Grid point 291 (158/185) ======================= q-point: (-0.33 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.267 ( -2.651 -3.239 6.361) 7.615 1.267 ( -2.651 3.239 6.361) 7.615 1.656 ( -3.964 -3.678 4.671) 7.146 1.656 ( -3.964 3.678 4.671) 7.146 1.900 ( 0.093 -4.062 4.672) 6.191 1.900 ( 0.093 4.062 4.672) 6.191 2.159 ( -7.161 -4.009 -0.723) 8.239 2.159 ( -7.161 4.009 -0.723) 8.239 2.665 ( 3.839 -6.542 -0.089) 7.585 2.665 ( 3.839 6.542 -0.089) 7.585 2.927 ( 8.826 -2.442 -4.146) 10.053 2.927 ( 8.826 2.442 -4.146) 10.053 3.196 ( -6.737 -3.774 -2.204) 8.030 3.196 ( -6.737 3.774 -2.204) 8.030 3.805 ( -3.698 -2.524 -2.590) 5.172 3.805 ( -3.698 2.524 -2.590) 5.172 4.084 ( -0.373 -10.863 -3.344) 11.372 4.084 ( -0.373 10.863 -3.344) 11.372 4.446 ( -3.673 -7.617 4.453) 9.557 4.446 ( -3.673 7.617 4.453) 9.557 4.793 ( 4.104 -4.233 -2.305) 6.330 4.793 ( 4.104 4.233 -2.305) 6.330 5.382 ( 2.617 -1.602 0.539) 3.115 5.382 ( 2.617 1.602 0.539) 3.115 6.220 ( 4.960 -1.092 -1.969) 5.448 6.220 ( 4.960 1.092 -1.969) 5.448 6.580 ( -4.768 -2.597 0.481) 5.451 6.580 ( -4.768 2.597 0.481) 5.451 6.896 ( 1.255 -6.418 -0.615) 6.569 6.896 ( 1.255 6.418 -0.615) 6.569 8.081 ( 0.489 -4.040 3.212) 5.184 8.081 ( 0.489 4.040 3.212) 5.184 9.640 ( -1.952 -4.804 0.032) 5.186 9.640 ( -1.952 4.804 0.032) 5.186 10.746 ( -5.844 -2.900 0.746) 6.567 10.746 ( -5.844 2.900 0.746) 6.567 13.361 ( -7.019 -8.454 -13.412) 17.338 13.361 ( -7.019 8.454 -13.412) 17.338 14.151 ( 19.033 -12.075 9.206) 24.348 14.151 ( 19.033 12.075 9.206) 24.348 16.618 ( -6.856 -0.388 -0.543) 6.889 16.618 ( -6.856 0.388 -0.543) 6.889 ======================= Grid point 293 (159/185) ======================= q-point: (-0.22 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.277 ( -3.877 -9.880 6.699) 12.551 1.277 ( -3.877 9.880 6.699) 12.551 1.649 ( -4.937 -2.353 6.644) 8.605 1.649 ( -4.937 2.353 6.644) 8.605 1.955 ( -5.445 -5.414 4.057) 8.685 1.955 ( -5.445 5.414 4.057) 8.685 2.093 ( 5.443 -7.330 6.568) 11.247 2.093 ( 5.443 7.330 6.568) 11.247 2.730 ( -0.384 -2.591 2.906) 3.912 2.730 ( -0.384 2.591 2.906) 3.912 3.029 ( 7.908 -3.778 -5.284) 10.234 3.029 ( 7.908 3.778 -5.284) 10.234 3.098 ( -1.782 -1.768 1.756) 3.063 3.098 ( -1.782 1.768 1.756) 3.063 3.719 ( -2.282 -1.182 -4.458) 5.145 3.719 ( -2.282 1.182 -4.458) 5.145 4.012 ( -3.229 -14.497 -3.955) 15.370 4.012 ( -3.229 14.497 -3.955) 15.370 4.397 ( -5.694 -5.267 1.203) 7.849 4.397 ( -5.694 5.267 1.203) 7.849 4.841 ( 3.507 -1.573 -2.106) 4.383 4.841 ( 3.507 1.573 -2.106) 4.383 5.420 ( 2.535 -2.060 -2.394) 4.050 5.420 ( 2.535 2.060 -2.394) 4.050 6.283 ( 3.685 -1.536 -2.242) 4.579 6.283 ( 3.685 1.536 -2.242) 4.579 6.512 ( -2.381 -2.163 0.782) 3.311 6.512 ( -2.381 2.163 0.782) 3.311 6.900 ( 0.486 -7.048 -2.108) 7.373 6.900 ( 0.486 7.048 -2.108) 7.373 8.123 ( 0.242 -6.205 3.852) 7.307 8.123 ( 0.242 6.205 3.852) 7.307 9.624 ( -1.394 -4.742 3.360) 5.976 9.624 ( -1.394 4.742 3.360) 5.976 10.630 ( -7.503 -2.515 -0.392) 7.923 10.630 ( -7.503 2.515 -0.392) 7.923 13.097 ( -5.468 -9.571 -17.584) 20.754 13.097 ( -5.468 9.571 -17.584) 20.754 14.579 ( 19.030 -10.905 8.630) 23.570 14.579 ( 19.030 10.905 8.630) 23.570 16.464 ( -9.774 -0.588 -0.868) 9.830 16.464 ( -9.774 0.588 -0.868) 9.830 ======================= Grid point 295 (160/185) ======================= q-point: (-0.11 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.222 ( -6.573 -11.044 0.196) 12.853 1.222 ( -6.573 11.044 0.196) 12.853 1.612 ( -3.790 -2.299 8.788) 9.843 1.612 ( -3.790 2.299 8.788) 9.843 1.970 ( 2.411 -2.820 2.399) 4.418 1.970 ( 2.411 2.821 2.399) 4.418 2.250 ( 1.011 -10.348 8.472) 13.412 2.250 ( 1.011 10.348 8.472) 13.412 2.753 ( 1.616 -1.902 5.232) 5.797 2.753 ( 1.616 1.902 5.232) 5.797 3.060 ( -2.347 -7.682 4.041) 8.992 3.060 ( -2.347 7.682 4.041) 8.992 3.204 ( 10.982 -2.832 -2.096) 11.534 3.204 ( 10.982 2.832 -2.096) 11.534 3.656 ( 0.447 -3.065 -4.243) 5.253 3.656 ( 0.447 3.065 -4.243) 5.253 3.925 ( -2.022 -14.959 -4.250) 15.682 3.925 ( -2.022 14.959 -4.250) 15.682 4.264 ( -8.672 -6.610 -3.058) 11.325 4.264 ( -8.672 6.610 -3.058) 11.325 4.865 ( 1.144 -1.755 -1.772) 2.744 4.865 ( 1.144 1.755 -1.772) 2.744 5.418 ( 0.562 -3.313 -3.897) 5.146 5.418 ( 0.562 3.313 -3.897) 5.146 6.291 ( 0.201 -3.039 -1.977) 3.631 6.291 ( 0.201 3.039 -1.977) 3.631 6.541 ( 3.648 -2.337 1.910) 4.735 6.541 ( 3.648 2.337 1.910) 4.735 6.869 ( -1.155 -6.994 -3.600) 7.950 6.869 ( -1.155 6.994 -3.600) 7.950 8.153 ( -0.884 -4.605 3.792) 6.030 8.153 ( -0.884 4.605 3.792) 6.030 9.659 ( 0.219 -4.595 6.511) 7.972 9.659 ( 0.219 4.595 6.511) 7.972 10.493 ( -6.269 -2.165 -2.553) 7.106 10.493 ( -6.269 2.165 -2.553) 7.106 12.868 ( -3.040 -8.456 -15.850) 18.220 12.868 ( -3.040 8.456 -15.850) 18.220 14.923 ( 12.466 -7.120 5.338) 15.316 14.923 ( 12.466 7.120 5.338) 15.316 16.294 ( -8.084 -1.025 -0.688) 8.178 16.294 ( -8.084 1.025 -0.688) 8.178 ======================= Grid point 324 (161/185) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.145 ( -4.906 0.000 -1.895) 5.260 1.145 ( 4.906 0.000 1.895) 5.260 1.356 ( 7.628 0.000 -10.661) 13.109 1.356 ( -7.628 0.000 10.661) 13.109 2.104 ( -3.827 0.000 -0.523) 3.863 2.104 ( 3.827 0.000 0.523) 3.863 2.355 ( 2.814 0.000 -1.007) 2.989 2.355 ( -2.814 0.000 1.007) 2.989 2.573 ( -10.642 0.000 -6.004) 12.218 2.573 ( 10.642 0.000 6.004) 12.218 2.949 ( -4.919 0.000 -4.492) 6.662 2.949 ( 4.919 0.000 4.492) 6.662 3.241 ( -11.645 0.000 -0.298) 11.649 3.241 ( 11.645 0.000 0.298) 11.649 3.616 ( 12.181 0.000 -10.545) 16.112 3.616 ( -12.181 0.000 10.545) 16.112 4.343 ( 1.115 0.000 -6.333) 6.430 4.343 ( -1.115 0.000 6.333) 6.430 4.791 ( 1.275 0.000 -1.079) 1.671 4.791 ( -1.275 0.000 1.079) 1.671 4.837 ( 1.506 0.000 -5.394) 5.600 4.837 ( -1.506 0.000 5.394) 5.600 5.099 ( -4.372 0.000 -2.868) 5.229 5.099 ( 4.372 0.000 2.868) 5.229 6.207 ( -4.776 0.000 -2.152) 5.238 6.207 ( 4.776 0.000 2.152) 5.238 6.503 ( 7.046 0.000 -4.318) 8.264 6.503 ( -7.046 0.000 4.318) 8.264 7.008 ( -0.242 0.000 -6.264) 6.269 7.008 ( 0.242 0.000 6.264) 6.269 7.910 ( -20.731 0.000 -0.149) 20.732 7.910 ( 20.731 0.000 0.149) 20.732 9.876 ( 4.814 0.000 -10.066) 11.158 9.876 ( -4.814 0.000 10.066) 11.158 10.514 ( 11.705 0.000 -4.622) 12.585 10.514 ( -11.705 0.000 4.622) 12.585 12.922 ( 1.842 0.000 -19.807) 19.893 12.922 ( -1.842 0.000 19.807) 19.893 14.945 ( -10.183 0.000 -5.266) 11.464 14.945 ( 10.183 0.000 5.266) 11.464 16.218 ( -2.114 0.000 0.484) 2.169 16.218 ( 2.114 0.000 -0.484) 2.169 ======================= Grid point 326 (162/185) ======================= q-point: ( 0.11 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.010 ( -6.151 0.000 -5.127) 8.007 1.280 ( 13.771 0.000 -4.160) 14.386 1.456 ( 6.885 0.000 6.284) 9.321 1.495 ( 15.889 0.000 -8.335) 17.943 2.053 ( -2.106 0.000 1.051) 2.354 2.091 ( -4.936 0.000 -9.039) 10.299 2.292 ( -12.620 0.000 -4.259) 13.319 2.315 ( 0.922 0.000 -2.871) 3.016 2.398 ( 4.553 0.000 -5.917) 7.466 2.748 ( 5.787 0.000 -0.971) 5.868 2.905 ( 2.533 0.000 3.398) 4.239 3.020 ( -10.746 0.000 -2.977) 11.150 3.052 ( 0.344 0.000 4.120) 4.134 3.384 ( 2.902 0.000 2.409) 3.772 3.534 ( -3.383 0.000 6.043) 6.926 3.701 ( 11.200 0.000 -15.028) 18.743 4.318 ( -0.918 0.000 -1.799) 2.020 4.414 ( -0.342 0.000 7.780) 7.788 4.596 ( -10.332 0.000 -6.355) 12.130 4.633 ( -6.773 0.000 -9.234) 11.452 4.848 ( 0.116 0.000 0.514) 0.527 4.908 ( -2.884 0.000 7.193) 7.750 5.126 ( 3.541 0.000 6.450) 7.358 5.287 ( 7.670 0.000 9.321) 12.071 6.111 ( -3.737 0.000 -1.580) 4.057 6.299 ( 4.355 0.000 0.191) 4.359 6.436 ( -4.871 0.000 3.500) 5.998 6.594 ( 7.581 0.000 -3.887) 8.520 6.948 ( -0.612 0.000 -5.136) 5.172 7.074 ( 0.485 0.000 6.898) 6.915 7.519 ( -21.419 0.000 -3.763) 21.747 8.203 ( 14.865 0.000 -4.522) 15.538 9.797 ( -12.436 0.000 9.349) 15.558 9.800 ( 0.395 0.000 -12.030) 12.037 10.541 ( 4.559 0.000 10.391) 11.347 10.820 ( 20.901 0.000 4.525) 21.386 12.777 ( 2.976 0.000 -20.581) 20.795 13.077 ( -0.615 0.000 17.912) 17.922 14.579 ( -23.790 0.000 -7.859) 25.054 15.029 ( -4.180 0.000 4.045) 5.817 16.275 ( 7.333 0.000 0.759) 7.372 16.328 ( 10.759 0.000 -2.053) 10.953 ======================= Grid point 327 (163/185) ======================= q-point: ( 0.22 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.893 ( -2.171 0.000 -2.376) 3.219 1.524 ( 17.103 0.000 -7.849) 18.818 1.563 ( -6.492 0.000 -11.123) 12.879 1.595 ( 5.663 0.000 -1.925) 5.981 1.893 ( 3.644 0.000 -5.741) 6.800 1.982 ( -7.589 0.000 -0.621) 7.615 2.099 ( -5.252 0.000 -5.789) 7.816 2.378 ( -3.381 0.000 -2.955) 4.490 2.429 ( 14.956 0.000 -2.105) 15.103 2.679 ( -8.592 0.000 -8.273) 11.927 2.857 ( 0.194 0.000 -5.697) 5.701 3.083 ( -0.217 0.000 6.148) 6.152 3.115 ( 12.244 0.000 8.075) 14.667 3.455 ( 1.082 0.000 7.832) 7.906 3.589 ( 2.962 0.000 2.901) 4.146 3.733 ( 9.535 0.000 -16.073) 18.688 4.228 ( -12.290 0.000 -11.688) 16.960 4.251 ( -4.955 0.000 -1.909) 5.310 4.417 ( -8.196 0.000 -8.663) 11.925 4.606 ( 0.214 0.000 13.241) 13.242 4.854 ( -9.186 0.000 5.119) 10.516 4.872 ( 1.376 0.000 1.334) 1.916 5.280 ( 5.006 0.000 8.984) 10.285 5.479 ( 5.059 0.000 7.371) 8.940 6.067 ( -0.824 0.000 1.085) 1.363 6.353 ( 3.237 0.000 -2.905) 4.349 6.397 ( -2.629 0.000 1.902) 3.244 6.671 ( 4.484 0.000 -3.255) 5.541 6.895 ( -0.849 0.000 -3.476) 3.578 7.067 ( -12.046 0.000 -3.636) 12.583 7.247 ( -0.906 0.000 6.863) 6.922 8.319 ( 5.661 0.000 -9.096) 10.714 9.693 ( -9.657 0.000 10.965) 14.611 9.710 ( 2.544 0.000 -12.053) 12.318 10.783 ( 10.667 0.000 11.368) 15.589 11.229 ( 16.409 0.000 10.816) 19.653 12.646 ( 3.718 0.000 -20.239) 20.578 13.188 ( -5.298 0.000 10.909) 12.128 14.087 ( -19.775 0.000 -7.370) 21.104 14.921 ( -10.496 0.000 1.822) 10.652 16.443 ( 9.014 0.000 2.953) 9.485 16.503 ( 11.452 0.000 -3.248) 11.903 ======================= Grid point 328 (164/185) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.908 ( 3.606 0.000 1.826) 4.042 1.172 ( -14.206 0.000 -13.868) 19.853 1.612 ( -0.667 0.000 -4.647) 4.695 1.719 ( 7.222 0.000 -3.938) 8.225 1.815 ( -4.992 0.000 -7.672) 9.153 1.852 ( -6.159 0.000 -8.902) 10.825 2.163 ( 15.265 0.000 0.391) 15.270 2.252 ( -9.592 0.000 5.031) 10.832 2.409 ( -12.674 0.000 -4.609) 13.486 2.675 ( 10.215 0.000 -0.125) 10.216 2.949 ( 16.201 0.000 -7.865) 18.009 3.165 ( 4.969 0.000 4.775) 6.891 3.406 ( 10.925 0.000 7.525) 13.265 3.553 ( 0.937 0.000 8.714) 8.764 3.663 ( 1.173 0.000 3.126) 3.339 3.753 ( 9.729 0.000 -13.918) 16.981 3.920 ( -10.398 0.000 -8.789) 13.615 4.108 ( -8.676 0.000 -4.074) 9.585 4.217 ( -6.341 0.000 -5.767) 8.571 4.600 ( -12.279 0.000 1.427) 12.362 4.803 ( -2.323 0.000 11.588) 11.819 4.903 ( 1.167 0.000 -0.056) 1.169 5.440 ( 3.693 0.000 8.570) 9.331 5.587 ( 2.191 0.000 2.583) 3.387 6.105 ( 2.023 0.000 4.639) 5.061 6.353 ( 1.250 0.000 -5.502) 5.643 6.381 ( -0.283 0.000 0.360) 0.458 6.649 ( -4.097 0.000 -5.048) 6.501 6.844 ( -4.919 0.000 -2.704) 5.613 6.855 ( -0.989 0.000 -1.648) 1.922 7.431 ( 8.347 0.000 12.121) 14.717 8.238 ( -3.030 0.000 -12.351) 12.718 9.663 ( -6.304 0.000 11.166) 12.823 9.668 ( 4.897 0.000 -11.277) 12.294 11.095 ( 12.948 0.000 11.335) 17.209 11.534 ( 6.275 0.000 11.014) 12.676 12.537 ( 4.516 0.000 -18.231) 18.782 12.969 ( -20.144 0.000 -5.572) 20.901 13.956 ( 4.010 0.000 6.394) 7.547 14.721 ( -12.629 0.000 -1.557) 12.724 16.607 ( 5.436 0.000 4.436) 7.016 16.643 ( 8.309 0.000 -3.917) 9.186 ======================= Grid point 329 (165/185) ======================= q-point: ( 0.44 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.954 ( -2.443 0.000 0.085) 2.444 0.979 ( 1.367 0.000 -1.562) 2.075 1.514 ( -1.687 0.000 -1.670) 2.374 1.623 ( -8.188 0.000 -7.882) 11.365 1.742 ( 1.025 0.000 -2.882) 3.059 1.750 ( 1.495 0.000 -4.255) 4.510 2.164 ( -2.893 0.000 3.072) 4.220 2.213 ( -6.192 0.000 -1.692) 6.419 2.475 ( 13.748 0.000 5.681) 14.875 2.693 ( -6.139 0.000 -2.196) 6.520 3.199 ( 17.228 0.000 -3.396) 17.560 3.340 ( 5.949 0.000 3.032) 6.677 3.539 ( 0.826 0.000 -1.693) 1.883 3.544 ( -9.069 0.000 -1.170) 9.144 3.661 ( 1.572 0.000 7.733) 7.891 3.791 ( -2.752 0.000 -3.581) 4.517 3.862 ( 3.999 0.000 2.976) 4.985 3.948 ( 1.652 0.000 -9.984) 10.120 4.126 ( 2.592 0.000 -0.382) 2.620 4.336 ( -16.812 0.000 0.085) 16.813 4.875 ( -0.689 0.000 7.290) 7.322 4.908 ( 0.940 0.000 -2.986) 3.131 5.555 ( 1.624 0.000 6.173) 6.383 5.607 ( 0.162 0.000 -2.330) 2.336 6.205 ( 2.205 0.000 7.694) 8.003 6.299 ( -0.359 0.000 -7.487) 7.496 6.403 ( 3.038 0.000 0.023) 3.038 6.499 ( -6.453 0.000 -3.002) 7.118 6.813 ( 0.772 0.000 -0.697) 1.040 6.829 ( -1.151 0.000 -0.186) 1.166 7.718 ( 10.134 0.000 14.012) 17.293 8.012 ( -8.319 0.000 -14.026) 16.308 9.662 ( 5.788 0.000 -10.624) 12.098 9.663 ( -5.643 0.000 10.642) 12.045 11.415 ( 12.457 0.000 8.587) 15.130 11.614 ( -5.068 0.000 2.206) 5.527 12.485 ( 6.915 0.000 -12.482) 14.270 12.604 ( -14.818 0.000 -0.580) 14.830 14.184 ( 11.623 0.000 8.444) 14.367 14.466 ( -13.053 0.000 -5.389) 14.121 16.701 ( 0.566 0.000 4.627) 4.661 16.712 ( 4.072 0.000 -4.342) 5.953 ======================= Grid point 334 (166/185) ======================= q-point: ( 0.00 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.146 ( -7.843 -0.918 -5.969) 9.899 1.146 ( 7.843 -0.918 5.969) 9.899 1.347 ( 2.636 1.660 -11.716) 12.123 1.347 ( -2.636 1.660 11.716) 12.123 2.082 ( -4.346 -2.732 -1.417) 5.325 2.082 ( 4.346 -2.732 1.417) 5.325 2.388 ( -4.013 3.282 -1.650) 5.441 2.388 ( 4.013 3.282 1.650) 5.441 2.610 ( -6.539 3.639 -3.708) 8.352 2.610 ( 6.539 3.639 3.708) 8.352 3.003 ( -1.705 5.216 -1.973) 5.832 3.003 ( 1.705 5.216 1.973) 5.832 3.257 ( -5.052 1.157 -2.175) 5.620 3.257 ( 5.052 1.157 2.175) 5.620 3.626 ( 10.918 1.537 -10.013) 14.894 3.626 ( -10.918 1.537 10.013) 14.894 4.260 ( -0.821 -8.196 -8.193) 11.618 4.260 ( 0.821 -8.196 8.193) 11.618 4.572 ( -1.412 -15.024 -10.724) 18.512 4.572 ( 1.412 -15.024 10.724) 18.512 4.915 ( -1.509 1.091 -3.755) 4.191 4.915 ( 1.509 1.091 3.755) 4.191 5.152 ( -6.129 5.051 -3.281) 8.593 5.152 ( 6.129 5.051 3.281) 8.593 6.256 ( -3.997 4.460 -3.103) 6.745 6.256 ( 3.997 4.460 3.103) 6.745 6.484 ( 5.713 -1.491 -3.444) 6.835 6.484 ( -5.713 -1.491 3.444) 6.835 6.970 ( -1.125 -3.636 -6.133) 7.218 6.970 ( 1.125 -3.636 6.133) 7.218 7.964 ( -18.827 5.155 0.187) 19.520 7.964 ( 18.827 5.155 -0.187) 19.520 9.867 ( 4.866 -0.876 -9.848) 11.020 9.867 ( -4.866 -0.876 9.848) 11.020 10.488 ( 6.095 -2.602 -4.026) 7.754 10.488 ( -6.095 -2.602 4.026) 7.754 12.856 ( 0.704 -6.241 -17.789) 18.866 12.856 ( -0.704 -6.241 17.789) 18.866 14.981 ( -8.852 3.323 -5.132) 10.758 14.981 ( 8.852 3.323 5.132) 10.758 16.217 ( -1.961 -0.061 -0.141) 1.967 16.217 ( 1.961 -0.061 0.141) 1.967 ======================= Grid point 336 (167/185) ======================= q-point: ( 0.11 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.967 ( -4.051 -1.881 -6.380) 7.788 1.347 ( 11.576 6.049 -4.341) 13.764 1.415 ( 14.361 -2.671 -1.127) 14.651 1.544 ( 13.439 3.704 0.356) 13.945 1.998 ( -3.043 -4.810 -0.872) 5.758 2.086 ( -3.979 -0.372 -5.977) 7.190 2.319 ( 0.285 0.672 -6.984) 7.022 2.378 ( -11.928 7.672 -2.350) 14.376 2.461 ( 2.581 4.735 -1.701) 5.655 2.667 ( 0.870 -3.602 -1.406) 3.964 2.951 ( -6.907 -0.888 -0.231) 6.968 3.040 ( 1.680 6.744 -2.867) 7.519 3.151 ( -2.332 6.620 6.215) 9.375 3.395 ( 4.448 0.365 1.171) 4.614 3.544 ( -3.281 1.443 5.362) 6.449 3.699 ( 10.109 0.048 -15.287) 18.328 4.218 ( 0.208 -8.836 -1.123) 8.909 4.382 ( -5.294 -10.002 -10.071) 15.149 4.402 ( 1.860 -7.864 9.101) 12.171 4.590 ( -6.397 -9.587 2.266) 11.746 4.824 ( -4.972 0.843 1.235) 5.192 4.974 ( 1.118 1.817 0.627) 2.224 5.111 ( 0.117 0.486 6.251) 6.271 5.328 ( 7.074 3.302 7.125) 10.570 6.150 ( -4.367 3.746 -1.884) 6.054 6.353 ( 4.640 4.620 0.046) 6.548 6.411 ( -5.076 -1.950 2.832) 6.131 6.574 ( 6.752 -1.748 -2.930) 7.565 6.889 ( -2.219 -5.033 -4.610) 7.176 7.049 ( 1.137 -2.629 6.170) 6.802 7.620 ( -18.537 9.542 -2.281) 20.973 8.231 ( 13.651 2.529 -4.281) 14.528 9.787 ( -7.612 -0.694 1.805) 7.854 9.801 ( -3.294 -0.160 -5.263) 6.211 10.520 ( 4.601 -2.011 9.506) 10.751 10.762 ( 19.661 -5.755 2.686) 20.662 12.708 ( 0.190 -5.871 -15.322) 16.409 13.027 ( 1.855 -5.412 16.309) 17.283 14.646 ( -21.901 6.298 -7.799) 24.086 15.046 ( -4.868 1.458 3.613) 6.235 16.266 ( 7.150 -0.690 0.416) 7.195 16.333 ( 10.528 0.257 -1.501) 10.637 ======================= Grid point 337 (168/185) ======================= q-point: ( 0.22 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.911 ( 3.938 3.405 -5.417) 7.513 1.516 ( 12.452 0.369 -6.295) 13.958 1.630 ( 2.267 4.481 -5.319) 7.315 1.668 ( 2.702 7.202 -7.571) 10.793 1.831 ( -1.149 -4.607 -5.573) 7.321 2.002 ( -0.958 0.963 -2.932) 3.231 2.192 ( -7.538 8.919 -3.191) 12.106 2.366 ( 12.169 -2.384 -3.053) 12.770 2.411 ( -6.247 -0.392 -0.911) 6.326 2.629 ( -5.856 -4.007 -5.436) 8.939 2.844 ( 1.472 -0.212 -4.422) 4.666 3.022 ( 1.308 -1.186 2.843) 3.347 3.251 ( 3.656 6.520 6.493) 9.901 3.475 ( 1.994 1.858 7.023) 7.534 3.608 ( 4.306 2.057 2.545) 5.408 3.711 ( 8.480 -2.101 -15.415) 17.719 4.108 ( -9.493 -10.788 -10.962) 18.074 4.226 ( -0.205 -3.323 -3.261) 4.661 4.396 ( -8.664 -2.353 -4.799) 10.180 4.607 ( 1.847 -0.530 13.098) 13.239 4.752 ( -7.612 -3.906 5.016) 9.917 4.972 ( -1.106 3.616 0.028) 3.782 5.230 ( 3.333 -3.790 10.328) 11.495 5.491 ( 4.602 0.667 5.199) 6.975 6.092 ( -1.642 2.550 1.241) 3.277 6.359 ( -3.079 -2.471 0.890) 4.047 6.412 ( 3.525 4.494 -2.587) 6.270 6.648 ( 4.145 -2.310 -2.283) 5.266 6.811 ( -2.110 -5.699 -3.883) 7.212 7.076 ( -5.694 -1.161 1.979) 6.139 7.381 ( -4.968 12.831 3.100) 14.104 8.335 ( 5.005 1.332 -8.477) 9.934 9.692 ( -8.074 -0.057 8.407) 11.657 9.711 ( 1.787 0.031 -10.664) 10.812 10.747 ( 9.806 -3.567 10.277) 14.646 11.132 ( 16.814 -9.525 6.030) 20.244 12.584 ( 0.029 -3.934 -11.417) 12.076 13.202 ( 1.491 -1.067 12.065) 12.204 14.162 ( -21.548 7.773 -9.392) 24.757 14.923 ( -11.018 -0.044 1.141) 11.077 16.431 ( 9.225 -1.045 2.397) 9.589 16.508 ( 11.059 0.209 -2.629) 11.369 ======================= Grid point 338 (169/185) ======================= q-point: ( 0.33 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.981 ( 7.781 8.005 -4.626) 12.084 1.301 ( -12.334 11.543 -9.684) 19.471 1.594 ( 0.725 -2.013 -4.628) 5.098 1.750 ( 6.804 2.945 -5.417) 9.182 1.802 ( -2.216 -1.199 -8.189) 8.568 1.918 ( -7.979 6.027 -3.672) 10.652 2.158 ( 8.991 1.225 -3.066) 9.578 2.237 ( -11.297 -1.816 2.460) 11.703 2.424 ( -7.700 0.219 -2.379) 8.062 2.605 ( 9.602 -4.809 0.857) 10.773 2.932 ( 11.944 -1.813 -4.158) 12.777 3.145 ( 7.381 -2.021 4.515) 8.885 3.380 ( 5.970 -3.186 3.506) 7.622 3.569 ( -0.174 -0.327 4.949) 4.963 3.662 ( -0.013 -0.516 -1.351) 1.446 3.764 ( 9.131 2.222 -5.251) 10.765 3.871 ( -3.478 -3.798 -8.512) 9.949 4.169 ( -6.936 5.289 -5.324) 10.219 4.193 ( -4.590 -2.342 -3.932) 6.482 4.579 ( -13.424 -1.479 3.088) 13.854 4.782 ( 1.419 -1.089 10.792) 10.939 4.954 ( -0.660 2.958 -0.468) 3.067 5.383 ( 2.893 -4.961 10.130) 11.644 5.571 ( 1.803 -1.884 0.454) 2.647 6.119 ( 0.940 1.324 5.278) 5.522 6.317 ( -1.428 -3.059 -1.869) 3.858 6.429 ( 2.193 4.162 -3.536) 5.885 6.645 ( -2.296 -0.084 -3.466) 4.158 6.768 ( 1.696 -3.866 -2.922) 5.135 6.934 ( -7.687 3.615 -0.078) 8.495 7.497 ( 7.204 7.040 10.570) 14.600 8.253 ( -3.177 1.385 -11.551) 12.060 9.663 ( -5.727 -0.016 9.928) 11.461 9.668 ( 4.673 -0.013 -10.947) 11.902 11.022 ( 10.684 -6.856 10.289) 16.341 11.399 ( 8.334 -13.122 2.689) 15.775 12.516 ( 0.730 1.628 -3.088) 3.567 13.160 ( -11.780 14.010 -6.635) 19.470 13.926 ( 0.726 -2.117 4.203) 4.761 14.706 ( -13.209 -1.697 -2.458) 13.543 16.596 ( 6.004 -0.944 3.866) 7.203 16.646 ( 7.922 0.162 -3.368) 8.610 ======================= Grid point 339 (170/185) ======================= q-point: ( 0.44 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.028 ( 4.313 8.346 -1.158) 9.465 1.155 ( -4.399 14.182 -3.149) 15.179 1.520 ( 1.028 1.135 0.098) 1.534 1.690 ( -8.442 5.962 -10.590) 14.797 1.751 ( 1.739 1.109 -1.648) 2.640 1.777 ( -0.300 3.332 -1.770) 3.785 2.132 ( -1.259 -3.939 0.112) 4.137 2.172 ( -5.602 -3.109 1.802) 6.655 2.480 ( 10.187 0.707 2.527) 10.519 2.643 ( -4.832 -3.847 -0.759) 6.223 3.136 ( 13.024 -6.218 0.574) 14.443 3.321 ( 2.782 -2.302 -0.295) 3.623 3.415 ( -0.900 -9.290 -1.254) 9.418 3.508 ( -3.598 -5.277 -0.325) 6.395 3.709 ( 3.767 3.741 4.590) 7.018 3.807 ( 1.385 1.532 -3.123) 3.744 3.921 ( 2.095 4.666 3.481) 6.187 3.976 ( -1.640 2.650 -9.223) 9.735 4.157 ( 3.839 3.539 -1.592) 5.459 4.338 ( -15.852 0.682 2.075) 16.002 4.882 ( 0.916 0.551 6.327) 6.416 4.933 ( -0.430 1.692 -2.550) 3.090 5.503 ( 1.357 -4.832 7.685) 9.179 5.569 ( 0.074 -3.823 -4.079) 5.591 6.199 ( 0.983 -0.812 7.065) 7.180 6.269 ( -0.661 -2.783 -5.042) 5.797 6.452 ( 3.923 4.537 -1.527) 6.189 6.540 ( -5.284 4.026 -2.466) 7.086 6.795 ( 3.413 -1.388 -2.139) 4.260 6.843 ( -4.382 1.039 1.651) 4.797 7.758 ( 9.564 4.128 12.939) 16.610 8.036 ( -8.096 2.364 -13.113) 15.591 9.660 ( 3.339 -0.144 -6.087) 6.944 9.662 ( -3.108 -0.112 5.779) 6.563 11.284 ( 8.297 -11.708 9.492) 17.205 11.446 ( -1.441 -14.962 -5.187) 15.901 12.582 ( 4.737 11.118 8.102) 14.550 12.827 ( -11.416 17.901 -13.720) 25.279 14.133 ( 11.718 -5.171 9.279) 15.816 14.431 ( -13.646 -3.631 -6.471) 15.533 16.696 ( 1.181 -0.448 4.185) 4.371 16.713 ( 3.602 -0.006 -3.900) 5.308 ======================= Grid point 344 (171/185) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 149 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.114 ( -2.210 -1.252 -6.920) 7.371 1.114 ( 2.210 -1.252 6.920) 7.371 1.468 ( 1.747 10.358 -7.375) 12.834 1.468 ( -1.747 10.358 7.375) 12.834 2.014 ( -3.679 -3.824 -4.821) 7.169 2.014 ( 3.679 -3.824 4.821) 7.169 2.451 ( -3.359 2.770 -6.523) 7.843 2.451 ( 3.359 2.770 6.523) 7.843 2.687 ( 1.487 3.774 -8.759) 9.652 2.687 ( -1.487 3.774 8.759) 9.652 3.121 ( -6.148 6.296 -1.262) 8.890 3.121 ( 6.148 6.296 1.262) 8.890 3.263 ( 3.174 -0.394 -6.642) 7.372 3.263 ( -3.174 -0.394 6.642) 7.372 3.689 ( 3.842 4.919 -6.178) 8.782 3.689 ( -3.842 4.919 6.178) 8.782 4.066 ( -3.915 -11.379 -8.976) 15.013 4.066 ( 3.915 -11.379 8.976) 15.013 4.273 ( -1.188 -15.761 -10.892) 19.195 4.273 ( 1.188 -15.761 10.892) 19.195 4.898 ( 2.284 -2.040 -2.479) 3.941 4.898 ( -2.284 -2.040 2.479) 3.941 5.251 ( -5.558 4.739 -2.545) 7.735 5.251 ( 5.558 4.739 2.545) 7.735 6.316 ( -2.901 0.267 -2.852) 4.077 6.316 ( 2.901 0.267 2.852) 4.077 6.489 ( -4.999 3.342 1.338) 6.161 6.489 ( 4.999 3.342 -1.338) 6.161 6.889 ( -2.706 -4.643 -5.562) 7.734 6.889 ( 2.706 -4.643 5.562) 7.734 8.076 ( -14.172 5.960 0.622) 15.386 8.076 ( 14.172 5.960 -0.622) 15.386 9.847 ( 4.439 -1.057 -8.507) 9.654 9.847 ( -4.439 -1.057 8.508) 9.654 10.427 ( 4.302 -3.445 -4.253) 6.962 10.427 ( -4.302 -3.445 4.253) 6.962 12.724 ( -0.630 -6.899 -12.640) 14.414 12.724 ( 0.630 -6.899 12.640) 14.414 15.046 ( -5.995 3.129 -4.338) 8.034 15.046 ( 5.995 3.129 4.338) 8.034 16.215 ( -2.237 -0.209 -0.368) 2.276 16.215 ( 2.237 -0.209 0.368) 2.276 ======================= Grid point 346 (172/185) ======================= q-point: ( 0.11 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.007 ( 1.485 6.081 -7.282) 9.603 1.354 ( 18.606 -3.297 -2.214) 19.025 1.479 ( 6.210 7.445 -1.445) 9.802 1.665 ( 13.298 9.392 1.514) 16.351 1.902 ( -2.715 -4.782 -4.578) 7.156 2.066 ( -2.096 -1.868 -0.113) 2.810 2.337 ( 0.323 1.038 -11.933) 11.982 2.516 ( -2.324 1.589 -0.195) 2.822 2.540 ( -7.335 8.376 -0.598) 11.149 2.668 ( -4.749 2.161 0.096) 5.219 2.968 ( -8.121 3.496 -0.350) 8.848 3.135 ( -6.531 2.903 -2.798) 7.675 3.275 ( 2.780 5.228 3.679) 6.971 3.375 ( 7.711 -1.880 0.525) 7.954 3.586 ( -2.256 2.351 1.385) 3.540 3.711 ( 4.822 0.596 -15.484) 16.228 4.023 ( -1.071 -12.050 -0.814) 12.125 4.106 ( 1.364 -12.615 -9.584) 15.901 4.298 ( 4.057 -7.066 10.774) 13.508 4.374 ( 0.225 -10.898 11.304) 15.704 4.838 ( -5.852 0.227 2.184) 6.251 4.937 ( 2.560 -4.009 -1.121) 4.887 5.172 ( -3.448 4.574 3.552) 6.740 5.383 ( 4.946 2.052 4.989) 7.319 6.224 ( -3.867 3.065 -2.919) 5.733 6.348 ( -2.580 -2.403 1.780) 3.950 6.461 ( 2.111 3.504 0.206) 4.096 6.561 ( 3.788 2.066 -1.185) 4.474 6.790 ( -3.111 -5.061 -3.755) 7.028 6.983 ( 1.659 -4.206 5.598) 7.196 7.831 ( -13.195 11.855 -0.334) 17.742 8.276 ( 10.379 1.677 -3.407) 11.052 9.776 ( -5.890 -0.455 0.220) 5.912 9.795 ( -2.323 -0.456 -5.562) 6.045 10.474 ( 4.925 -2.643 7.197) 9.112 10.631 ( 16.099 -7.291 0.399) 17.678 12.609 ( -1.819 -3.765 -6.199) 7.478 12.888 ( 3.675 -8.519 14.020) 16.812 14.781 ( -17.903 7.267 -6.793) 20.481 15.066 ( -6.455 0.312 2.462) 6.915 16.257 ( 6.820 -0.151 0.236) 6.826 16.331 ( 9.980 -0.577 -0.752) 10.025 ======================= Grid point 347 (173/185) ======================= q-point: ( 0.22 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.045 ( 10.747 10.042 -7.978) 16.733 1.550 ( 3.859 2.386 -5.299) 6.976 1.658 ( 15.820 -1.709 -1.937) 16.030 1.781 ( -1.270 1.456 -5.033) 5.391 1.834 ( -2.417 8.123 -9.456) 12.698 2.011 ( 3.263 0.380 -2.481) 4.117 2.252 ( 3.038 -5.168 -6.135) 8.578 2.389 ( -8.889 6.583 -3.661) 11.651 2.479 ( -3.642 6.972 1.691) 8.046 2.574 ( -3.447 -0.108 -3.275) 4.755 2.871 ( -0.933 2.606 -2.567) 3.775 3.008 ( -4.321 -0.874 2.908) 5.281 3.293 ( -1.630 -1.832 1.620) 2.939 3.521 ( 4.285 1.513 2.307) 5.096 3.648 ( 4.982 1.353 0.300) 5.171 3.664 ( 6.005 -2.564 -8.667) 10.852 3.876 ( -2.612 -11.307 -11.506) 16.342 4.148 ( 2.314 -4.724 0.252) 5.267 4.337 ( -2.949 -3.077 1.506) 4.520 4.570 ( 5.794 -3.134 12.526) 14.152 4.732 ( -9.436 1.035 3.466) 10.106 4.960 ( 1.088 -4.593 -1.159) 4.860 5.201 ( -0.594 1.222 9.491) 9.587 5.488 ( 2.414 -1.243 3.093) 4.115 6.153 ( -2.737 3.649 0.930) 4.656 6.303 ( -3.126 -2.641 0.663) 4.145 6.511 ( 3.247 4.698 -3.506) 6.701 6.594 ( 2.400 -3.065 -0.358) 3.909 6.728 ( -0.940 -2.481 -2.069) 3.364 7.027 ( -2.380 -3.607 4.027) 5.907 7.663 ( -5.900 15.909 2.163) 17.105 8.350 ( 3.337 -0.250 -6.623) 7.420 9.693 ( -5.328 0.211 3.955) 6.639 9.711 ( 1.012 0.022 -8.988) 9.045 10.666 ( 8.416 -4.391 7.443) 12.062 10.919 ( 15.333 -11.781 0.112) 19.336 12.559 ( -0.875 1.454 1.216) 2.088 13.110 ( 6.476 -8.011 14.480) 17.770 14.352 ( -21.265 11.258 -10.150) 26.114 14.907 ( -12.356 -2.003 -0.421) 12.524 16.415 ( 9.301 -0.363 1.846) 9.489 16.504 ( 10.551 -0.702 -1.631) 10.699 ======================= Grid point 348 (174/185) ======================= q-point: ( 0.33 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.167 ( 8.546 10.088 -7.987) 15.447 1.511 ( -1.759 2.489 -6.919) 7.561 1.572 ( -2.945 7.208 -5.203) 9.365 1.778 ( 1.967 -0.686 -7.154) 7.451 1.826 ( 3.318 4.541 -7.356) 9.260 2.004 ( -2.017 2.479 -1.254) 3.433 2.173 ( -10.583 -4.467 -0.260) 11.490 2.281 ( -3.100 11.334 -5.589) 13.012 2.372 ( 2.416 -4.484 -3.469) 6.162 2.603 ( 1.354 4.077 6.037) 7.409 2.877 ( 3.691 -3.858 -1.567) 5.565 3.089 ( 7.485 -3.924 5.472) 10.068 3.306 ( 2.357 -3.635 -1.026) 4.452 3.447 ( -7.171 -11.134 -5.420) 14.310 3.694 ( 3.782 2.662 0.169) 4.628 3.805 ( 6.843 2.401 -5.744) 9.252 3.840 ( 8.042 0.234 0.902) 8.096 4.129 ( -4.841 -3.838 -0.184) 6.181 4.284 ( -0.441 6.248 -4.542) 7.737 4.575 ( -13.258 1.441 4.807) 14.176 4.756 ( 4.269 -2.297 8.553) 9.831 4.955 ( -0.216 -3.522 -1.112) 3.700 5.302 ( 0.688 -2.527 10.806) 11.118 5.516 ( 0.247 -3.861 -1.574) 4.177 6.147 ( -1.801 1.461 5.306) 5.791 6.258 ( -1.724 -2.771 -1.664) 3.663 6.505 ( 1.784 3.058 -3.262) 4.814 6.663 ( 3.616 1.784 -0.337) 4.046 6.704 ( 0.928 -2.279 -2.177) 3.286 6.970 ( -6.623 0.152 1.904) 6.893 7.687 ( 3.171 12.363 6.980) 14.547 8.273 ( -3.334 0.229 -9.175) 9.764 9.663 ( -4.246 0.142 6.655) 7.896 9.669 ( 4.043 0.102 -9.828) 10.628 10.876 ( 7.659 -7.679 7.230) 13.034 11.117 ( 8.811 -14.946 -3.674) 17.735 12.623 ( 2.774 8.697 10.184) 13.676 13.323 ( 3.008 0.942 5.627) 6.450 13.952 ( -11.469 6.492 -5.878) 14.430 14.649 ( -14.673 -4.521 -4.466) 15.990 16.581 ( 6.719 -0.425 3.061) 7.396 16.644 ( 7.484 -0.443 -2.317) 7.847 ======================= Grid point 349 (175/185) ======================= q-point: ( 0.44 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.190 ( 3.677 7.263 0.533) 8.158 1.363 ( -8.040 4.063 -10.103) 13.536 1.615 ( 7.407 10.310 2.611) 12.961 1.763 ( -2.580 1.829 -5.216) 6.100 1.780 ( 7.177 2.269 -6.101) 9.689 1.922 ( -9.592 9.691 1.699) 13.741 2.045 ( 1.036 -3.555 -1.540) 4.010 2.132 ( -8.709 -0.059 0.952) 8.761 2.497 ( 10.000 0.960 -2.371) 10.322 2.612 ( -5.862 1.222 3.851) 7.119 2.980 ( 7.143 -9.788 3.838) 12.711 3.176 ( -8.074 -12.653 -7.401) 16.735 3.298 ( 8.229 -2.841 2.802) 9.146 3.394 ( -0.560 -5.837 -0.129) 5.865 3.767 ( 5.428 2.588 -0.068) 6.014 3.850 ( 0.089 2.857 -1.768) 3.361 3.987 ( 2.814 2.064 5.214) 6.273 4.030 ( -0.707 2.203 -4.958) 5.471 4.261 ( 4.482 7.200 -5.663) 10.198 4.379 ( -13.836 3.830 5.288) 15.299 4.874 ( 2.303 -2.142 4.966) 5.878 4.932 ( -0.902 -2.575 -2.174) 3.488 5.405 ( 0.605 -4.660 8.699) 9.887 5.480 ( -0.383 -5.076 -5.556) 7.535 6.174 ( -1.050 -1.636 5.470) 5.805 6.212 ( -0.590 -2.875 -3.701) 4.723 6.545 ( 4.359 4.583 -0.070) 6.325 6.628 ( -3.477 4.473 -1.992) 6.005 6.773 ( 6.050 -0.458 -1.422) 6.232 6.867 ( -6.752 1.518 1.719) 7.131 7.863 ( 7.286 6.671 9.848) 13.949 8.087 ( -7.086 2.598 -10.410) 12.858 9.658 ( 0.634 -0.033 -1.119) 1.286 9.661 ( -0.186 -0.003 0.042) 0.190 11.051 ( 4.449 -11.700 7.426) 14.555 11.150 ( 1.128 -14.804 -6.837) 16.345 12.843 ( 8.249 15.203 16.114) 23.640 13.170 ( -11.092 17.011 -14.755) 25.102 14.005 ( 10.708 -7.742 9.982) 16.560 14.330 ( -14.928 -7.113 -8.742) 18.705 16.689 ( 2.103 -0.252 3.327) 3.944 16.711 ( 2.929 -0.200 -2.940) 4.155 ======================= Grid point 354 (176/185) ======================= q-point: ( 0.00 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.112 ( 1.215 0.623 -5.120) 5.299 1.112 ( -1.215 0.623 5.120) 5.299 1.690 ( -4.337 11.809 -3.448) 13.044 1.690 ( 4.337 11.809 3.448) 13.044 1.951 ( -2.366 -3.045 -7.720) 8.630 1.951 ( 2.366 -3.045 7.720) 8.630 2.489 ( -1.784 1.426 -9.510) 9.780 2.489 ( 1.784 1.426 9.510) 9.780 2.729 ( 2.220 0.441 -10.592) 10.831 2.729 ( -2.220 0.441 10.592) 10.831 3.193 ( -1.186 1.927 -4.937) 5.431 3.193 ( 1.186 1.927 4.937) 5.431 3.281 ( 6.424 1.609 -6.204) 9.075 3.281 ( -6.424 1.609 6.204) 9.075 3.768 ( -7.901 1.275 -5.943) 9.968 3.768 ( 7.901 1.275 5.943) 9.968 3.888 ( -3.836 -4.654 -6.175) 8.632 3.888 ( 3.836 -4.654 6.175) 8.632 4.013 ( -0.631 -11.060 -4.588) 11.990 4.013 ( 0.631 -11.060 4.588) 11.990 4.856 ( 1.544 -2.009 -2.234) 3.378 4.856 ( -1.544 -2.009 2.234) 3.378 5.321 ( -3.417 2.665 -1.643) 4.635 5.321 ( 3.417 2.665 1.643) 4.635 6.285 ( -1.524 -2.196 -1.354) 2.996 6.285 ( 1.524 -2.196 1.354) 2.996 6.590 ( -4.378 6.136 -1.581) 7.702 6.590 ( 4.378 6.136 1.581) 7.702 6.799 ( -3.788 -4.892 -4.733) 7.790 6.799 ( 3.788 -4.892 4.733) 7.790 8.169 ( -7.666 3.621 0.551) 8.496 8.169 ( 7.666 3.621 -0.551) 8.496 9.831 ( 2.758 -0.597 -5.102) 5.830 9.831 ( -2.758 -0.597 5.102) 5.830 10.371 ( 2.210 -2.307 -2.760) 4.222 10.371 ( -2.210 -2.307 2.760) 4.222 12.618 ( -0.692 -4.022 -6.319) 7.522 12.618 ( 0.692 -4.022 6.319) 7.522 15.091 ( -2.938 1.541 -2.525) 4.170 15.091 ( 2.938 1.541 2.525) 4.170 16.210 ( -1.465 -0.235 -0.306) 1.514 16.210 ( 1.465 -0.235 0.306) 1.514 ======================= Grid point 356 (177/185) ======================= q-point: ( 0.11 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.147 ( 8.516 7.270 -5.857) 12.636 1.304 ( 17.023 -2.131 -1.077) 17.189 1.622 ( 1.164 7.607 0.090) 7.696 1.827 ( -2.362 -3.416 -7.027) 8.163 1.861 ( 9.917 9.791 -0.562) 13.947 2.029 ( -0.176 -1.787 2.564) 3.130 2.358 ( -1.006 1.661 -12.155) 12.310 2.507 ( -5.362 -3.003 -1.035) 6.232 2.685 ( 2.206 6.204 -3.279) 7.355 2.716 ( -7.637 3.732 5.523) 10.137 3.048 ( -8.209 3.291 0.340) 8.851 3.170 ( -9.320 0.719 -1.123) 9.415 3.280 ( 0.117 -2.330 -4.860) 5.391 3.372 ( 10.639 -0.472 -2.827) 11.018 3.614 ( -1.698 -0.074 -3.782) 4.146 3.687 ( -4.102 -2.584 -8.240) 9.561 3.802 ( -2.548 -6.910 -3.313) 8.076 3.970 ( 3.777 -5.566 3.534) 7.599 4.147 ( 7.799 -4.790 6.449) 11.196 4.242 ( 9.590 -4.648 12.331) 16.298 4.832 ( -3.675 -0.676 2.511) 4.502 4.865 ( 0.165 -3.021 -0.106) 3.027 5.260 ( -3.591 4.693 2.410) 6.382 5.393 ( 1.625 -1.106 3.810) 4.287 6.249 ( -0.954 0.375 -1.645) 1.938 6.310 ( -0.572 -2.130 0.753) 2.331 6.511 ( -2.095 3.366 -0.471) 3.993 6.639 ( -1.410 2.408 -2.607) 3.819 6.716 ( -0.028 -0.858 -0.224) 0.887 6.895 ( 1.969 -5.056 4.711) 7.186 8.042 ( -6.992 10.108 0.344) 12.295 8.277 ( 5.513 -1.907 -1.918) 6.140 9.772 ( -3.893 0.087 -1.821) 4.299 9.786 ( -1.674 -0.470 -5.434) 5.706 10.434 ( 5.940 -1.156 4.456) 7.515 10.509 ( 11.660 -5.285 0.575) 12.815 12.577 ( -0.927 0.330 1.609) 1.886 12.733 ( 3.086 -7.453 11.076) 13.702 14.905 ( -14.046 5.769 -4.540) 15.848 15.052 ( -8.474 -1.881 0.669) 8.706 16.263 ( 7.041 0.753 0.252) 7.085 16.312 ( 9.043 -1.366 -0.150) 9.147 ======================= Grid point 357 (178/185) ======================= q-point: ( 0.22 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.245 ( 10.416 10.330 -7.985) 16.702 1.529 ( 4.493 -4.482 -4.268) 7.648 1.680 ( 9.411 4.143 -3.469) 10.852 1.791 ( 1.695 -0.760 -4.219) 4.610 1.979 ( 5.380 5.849 -5.745) 9.806 2.026 ( 3.252 1.098 -0.886) 3.545 2.192 ( -4.459 0.027 -10.087) 11.028 2.377 ( -8.204 -5.299 -4.948) 10.948 2.646 ( 0.076 9.677 -0.494) 9.690 2.686 ( -2.305 8.495 -1.195) 8.883 2.906 ( -7.277 0.615 -0.193) 7.306 2.989 ( -8.375 -1.129 1.431) 8.571 3.225 ( -0.234 -4.450 -2.140) 4.943 3.417 ( -2.267 -10.629 -10.863) 15.366 3.631 ( 8.042 -0.464 0.913) 8.107 3.672 ( 4.698 0.742 -0.782) 4.821 3.795 ( 4.076 2.631 -0.730) 4.906 4.039 ( -0.739 -6.983 6.060) 9.276 4.318 ( 6.390 1.557 2.382) 6.995 4.495 ( 8.806 -5.041 7.203) 12.443 4.761 ( -7.380 1.651 2.480) 7.959 4.860 ( -1.145 -4.712 0.758) 4.908 5.253 ( -2.173 3.949 6.715) 8.088 5.437 ( -0.455 -4.183 3.025) 5.182 6.217 ( -2.411 2.897 0.301) 3.781 6.273 ( -3.157 -0.700 0.153) 3.238 6.535 ( 4.140 -1.497 0.519) 4.433 6.556 ( -2.210 -1.329 -3.228) 4.132 6.747 ( 1.167 4.293 0.963) 4.552 6.947 ( -0.559 -4.853 3.747) 6.157 7.950 ( -4.233 14.023 1.266) 14.702 8.309 ( 1.052 -4.477 -3.831) 5.986 9.700 ( -2.810 0.457 -0.425) 2.879 9.711 ( 0.432 -0.053 -7.330) 7.343 10.603 ( 8.028 -1.749 4.060) 9.165 10.724 ( 11.967 -8.345 -0.627) 14.603 12.629 ( 1.593 5.654 9.285) 10.988 12.935 ( 6.619 -9.722 14.934) 19.009 14.556 ( -18.835 10.067 -8.032) 22.817 14.842 ( -14.182 -4.869 -2.469) 15.197 16.421 ( 9.385 0.923 1.372) 9.529 16.481 ( 10.084 -1.644 -0.441) 10.227 ======================= Grid point 358 (179/185) ======================= q-point: ( 0.33 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.324 ( 4.256 6.322 -7.702) 10.835 1.469 ( -1.482 -2.759 -6.014) 6.781 1.741 ( 2.692 4.881 -6.108) 8.269 1.772 ( 3.719 0.231 -6.491) 7.484 1.933 ( -2.999 6.911 -6.417) 9.896 2.039 ( -2.552 1.488 -6.341) 6.996 2.114 ( -1.895 -0.743 -0.211) 2.047 2.283 ( 7.484 -5.039 -3.915) 9.835 2.513 ( -9.273 11.234 -2.585) 14.794 2.677 ( -3.304 1.549 5.042) 6.224 2.825 ( -2.330 0.230 -1.219) 2.640 2.995 ( 3.697 -5.947 2.901) 7.580 3.241 ( -3.847 -8.034 -5.601) 10.522 3.253 ( 2.888 -2.812 -1.490) 4.297 3.738 ( 5.695 2.296 -1.918) 6.433 3.825 ( 9.874 -1.902 1.528) 10.170 3.883 ( 5.125 5.238 -0.002) 7.328 4.057 ( -3.597 -3.727 5.964) 7.899 4.397 ( 3.322 5.864 -3.057) 7.401 4.630 ( -9.961 3.568 2.888) 10.968 4.675 ( 6.413 -5.995 3.090) 9.306 4.846 ( -1.755 -6.537 2.065) 7.077 5.296 ( -1.043 1.526 7.790) 8.006 5.432 ( -1.352 -4.772 -0.172) 4.963 6.172 ( -3.979 1.243 2.889) 5.071 6.220 ( -2.528 -1.380 -1.403) 3.204 6.541 ( 2.626 1.408 -0.552) 3.030 6.627 ( 5.026 -3.148 0.395) 5.944 6.765 ( 0.684 5.728 0.301) 5.776 6.944 ( -2.995 -2.784 2.341) 4.712 7.928 ( -0.459 12.399 3.056) 12.778 8.245 ( -3.120 -3.616 -5.494) 7.280 9.668 ( -1.928 0.283 1.749) 2.618 9.672 ( 2.589 0.148 -7.008) 7.472 10.763 ( 6.253 -3.642 3.365) 7.981 10.878 ( 7.307 -9.885 -2.882) 12.625 12.813 ( 6.601 10.999 15.486) 20.109 13.225 ( 10.067 -9.216 14.750) 20.096 14.142 ( -17.767 11.901 -10.790) 23.953 14.533 ( -16.397 -7.767 -6.828) 19.386 16.584 ( 7.096 0.669 2.087) 7.426 16.629 ( 7.248 -1.173 -0.798) 7.385 ======================= Grid point 359 (180/185) ======================= q-point: ( 0.44 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.286 ( 0.268 3.204 -0.852) 3.326 1.363 ( -4.131 -1.783 -6.256) 7.706 1.735 ( 0.414 1.434 -3.265) 3.590 1.773 ( -2.083 -0.709 -3.928) 4.502 1.899 ( 11.360 8.371 -3.567) 14.555 1.987 ( 2.837 0.315 -1.028) 3.034 2.086 ( -3.720 5.302 0.785) 6.525 2.192 ( -13.052 3.601 -0.291) 13.543 2.537 ( 10.283 3.890 -2.144) 11.201 2.657 ( -5.980 1.773 4.932) 7.952 2.812 ( 2.263 -6.225 1.889) 6.887 2.940 ( -6.327 -11.037 -5.686) 13.935 3.257 ( 4.995 -1.358 1.716) 5.453 3.304 ( 1.248 -3.665 -0.488) 3.902 3.825 ( 6.405 3.777 -1.514) 7.588 3.912 ( -3.315 3.842 0.646) 5.116 3.984 ( 6.838 -2.478 0.272) 7.278 4.045 ( -2.253 -0.758 2.879) 3.733 4.409 ( 4.640 8.240 -6.236) 11.328 4.484 ( -10.128 7.143 5.117) 13.408 4.784 ( 4.575 -7.348 -0.182) 8.658 4.832 ( -2.550 -7.313 2.131) 8.032 5.350 ( -0.247 -1.193 5.939) 6.063 5.396 ( -0.740 -3.459 -3.292) 4.832 6.148 ( -1.683 -0.835 2.868) 3.429 6.168 ( -1.198 -1.764 -2.190) 3.056 6.609 ( 3.818 2.341 1.291) 4.661 6.667 ( -0.714 -0.448 -1.105) 1.390 6.808 ( 4.345 3.915 0.297) 5.856 6.890 ( -4.753 0.534 0.816) 4.852 7.991 ( 3.255 6.406 5.079) 8.799 8.118 ( -4.799 0.243 -6.073) 7.745 9.660 ( 0.108 0.179 -0.270) 0.341 9.662 ( 0.585 0.113 -1.542) 1.653 10.875 ( 2.875 -6.418 3.535) 7.871 10.922 ( 1.645 -8.974 -3.834) 9.896 13.125 ( 11.162 14.263 17.062) 24.882 13.412 ( -3.023 6.390 -4.165) 8.205 13.890 ( 1.558 -2.125 3.003) 3.995 14.169 ( -15.689 -9.761 -10.773) 21.389 16.688 ( 2.600 0.216 2.012) 3.294 16.705 ( 2.585 -0.433 -1.414) 2.979 ======================= Grid point 364 (181/185) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.121 ( 0.000 -0.000 0.000) 0.000 1.121 ( -0.000 0.000 0.000) 0.000 1.856 ( -0.000 -0.000 -0.000) 0.000 1.856 ( -0.000 0.000 -0.000) 0.000 1.882 ( 0.000 -0.000 0.000) 0.000 1.882 ( 0.000 0.000 0.000) 0.000 2.506 ( -0.000 -0.000 -0.000) 0.000 2.506 ( -0.000 0.000 0.000) 0.000 2.722 ( -0.000 0.000 -0.000) 0.000 2.722 ( 0.000 0.000 0.000) 0.000 3.244 ( 0.000 0.000 -0.000) 0.000 3.244 ( 0.000 0.000 -0.000) 0.000 3.262 ( -0.000 -0.000 0.000) 0.000 3.262 ( -0.000 0.000 0.000) 0.000 3.758 ( -0.000 -0.000 -0.000) 0.000 3.758 ( -0.000 0.000 -0.000) 0.000 3.880 ( -0.000 -0.000 -0.000) 0.000 3.880 ( -0.000 0.000 -0.000) 0.000 3.893 ( 0.000 -0.000 0.000) 0.000 3.893 ( 0.000 0.000 0.000) 0.000 4.835 ( 0.000 -0.000 0.000) 0.000 4.835 ( 0.000 0.000 0.000) 0.000 5.347 ( 0.000 -0.000 0.000) 0.000 5.347 ( 0.000 0.000 0.000) 0.000 6.262 ( 0.000 0.000 0.000) 0.000 6.262 ( -0.000 0.000 0.000) 0.000 6.695 ( -0.000 -0.000 0.000) 0.000 6.695 ( -0.000 0.000 0.000) 0.000 6.707 ( 0.000 -0.000 0.000) 0.000 6.707 ( 0.000 0.000 -0.000) 0.000 8.204 ( 0.000 0.000 0.000) 0.000 8.204 ( -0.000 0.000 0.000) 0.000 9.825 ( -0.000 0.000 0.000) 0.000 9.825 ( -0.000 0.000 0.000) 0.000 10.348 ( -0.000 0.000 0.000) 0.000 10.348 ( -0.000 0.000 0.000) 0.000 12.579 ( 0.000 -0.000 0.000) 0.000 12.579 ( 0.000 0.000 0.000) 0.000 15.105 ( -0.000 0.000 0.000) 0.000 15.105 ( -0.000 0.000 0.000) 0.000 16.208 ( 0.000 0.000 0.000) 0.000 16.208 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 368 (182/185) ======================= q-point: ( 0.11 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.253 ( 13.889 -3.893 -2.650) 14.665 1.253 ( 13.889 3.893 -2.650) 14.665 1.749 ( -1.943 -5.407 -4.216) 7.127 1.749 ( -1.943 5.407 -4.216) 7.127 1.988 ( 4.012 -3.534 0.618) 5.382 1.988 ( 4.012 3.534 0.618) 5.382 2.421 ( -4.096 -4.923 -6.231) 8.935 2.421 ( -4.096 4.923 -6.231) 8.935 2.760 ( 0.388 -1.216 2.940) 3.205 2.760 ( 0.388 1.216 2.940) 3.205 3.111 ( -8.402 -5.030 -2.043) 10.003 3.111 ( -8.402 5.030 -2.043) 10.003 3.311 ( 3.000 -5.060 -8.772) 10.561 3.311 ( 3.000 5.060 -8.772) 10.561 3.626 ( -4.368 -3.091 -1.918) 5.685 3.626 ( -4.368 3.091 -1.918) 5.685 3.831 ( 0.263 -6.965 3.884) 7.980 3.831 ( 0.263 6.965 3.884) 7.980 4.162 ( 12.012 -3.785 6.444) 14.147 4.162 ( 12.012 3.785 6.444) 14.147 4.830 ( -1.839 -0.794 1.809) 2.699 4.830 ( -1.839 0.794 1.809) 2.699 5.344 ( -1.751 -3.865 2.748) 5.055 5.344 ( -1.751 3.865 2.748) 5.055 6.268 ( 0.433 -1.887 0.161) 1.943 6.268 ( 0.433 1.887 0.161) 1.943 6.589 ( -4.495 -4.441 -2.891) 6.948 6.589 ( -4.495 4.441 -2.891) 6.948 6.793 ( 2.492 -5.660 3.270) 6.995 6.793 ( 2.492 5.660 3.270) 6.995 8.199 ( -0.502 -6.336 -0.380) 6.367 8.199 ( -0.502 6.336 -0.380) 6.367 9.777 ( -2.240 -0.393 -4.032) 4.629 9.777 ( -2.240 0.393 -4.032) 4.629 10.440 ( 8.088 -1.943 2.193) 8.602 10.440 ( 8.088 1.943 2.193) 8.602 12.621 ( 1.182 -4.255 7.145) 8.400 12.621 ( 1.182 4.255 7.145) 8.400 14.997 ( -10.946 -3.919 -1.781) 11.762 14.997 ( -10.946 3.919 -1.781) 11.762 16.284 ( 7.915 -1.410 0.182) 8.042 16.284 ( 7.915 1.410 0.182) 8.042 ======================= Grid point 370 (183/185) ======================= q-point: ( 0.22 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.416 ( 7.616 -7.548 -6.477) 12.527 1.416 ( 7.616 7.548 -6.477) 12.527 1.754 ( 4.796 -3.099 -3.191) 6.541 1.754 ( 4.796 3.099 -3.191) 6.541 2.034 ( 5.765 -0.781 -3.730) 6.911 2.034 ( 5.766 0.781 -3.730) 6.911 2.262 ( -7.848 -6.084 -7.205) 12.269 2.262 ( -7.848 6.084 -7.205) 12.269 2.773 ( -1.859 -1.528 0.986) 2.600 2.773 ( -1.859 1.528 0.986) 2.600 2.936 ( -7.833 -3.943 -1.191) 8.850 2.936 ( -7.833 3.943 -1.191) 8.850 3.230 ( -0.097 -7.188 -9.091) 11.590 3.230 ( -0.097 7.188 -9.091) 11.590 3.657 ( 5.422 -2.051 1.625) 6.020 3.657 ( 5.422 2.051 1.625) 6.020 3.899 ( 1.677 -7.211 6.276) 9.705 3.899 ( 1.677 7.211 6.276) 9.705 4.389 ( 9.415 -5.425 2.163) 11.080 4.389 ( 9.415 5.425 2.163) 11.080 4.796 ( -4.375 -2.329 2.357) 5.488 4.796 ( -4.375 2.329 2.357) 5.488 5.343 ( -2.198 -5.294 4.528) 7.305 5.343 ( -2.198 5.294 4.528) 7.305 6.258 ( -2.416 -1.369 0.060) 2.777 6.258 ( -2.416 1.369 0.060) 2.777 6.527 ( 0.282 -0.937 -0.848) 1.295 6.527 ( 0.282 0.937 -0.848) 1.295 6.847 ( 0.755 -5.616 2.537) 6.208 6.847 ( 0.755 5.616 2.537) 6.208 8.176 ( -1.619 -9.644 -0.887) 9.819 8.176 ( -1.619 9.644 -0.887) 9.819 9.708 ( -0.793 -0.313 -4.435) 4.516 9.708 ( -0.793 0.313 -4.435) 4.516 10.615 ( 9.187 -3.160 1.243) 9.795 10.615 ( 9.187 3.160 1.243) 9.795 12.762 ( 4.576 -8.347 13.388) 16.427 12.762 ( 4.576 8.347 13.388) 16.427 14.724 ( -16.356 -7.652 -5.088) 18.760 14.724 ( -16.356 7.652 -5.088) 18.760 16.447 ( 9.666 -1.767 0.638) 9.847 16.447 ( 9.666 1.767 0.638) 9.847 ======================= Grid point 372 (184/185) ======================= q-point: ( 0.33 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.413 ( 0.073 -3.532 -7.032) 7.869 1.413 ( 0.073 3.532 -7.032) 7.869 1.774 ( 3.451 -0.637 -6.140) 7.072 1.774 ( 3.451 0.637 -6.140) 7.072 2.033 ( -6.938 -2.675 -5.551) 9.279 2.033 ( -6.938 2.675 -5.551) 9.279 2.174 ( 8.634 -6.119 -3.377) 11.108 2.174 ( 8.634 6.119 -3.377) 11.108 2.653 ( -8.897 -3.731 1.302) 9.735 2.653 ( -8.897 3.731 1.302) 9.735 2.886 ( -1.697 -5.073 -0.991) 5.441 2.886 ( -1.697 5.073 -0.991) 5.441 3.195 ( 3.249 -2.344 -2.586) 4.768 3.195 ( 3.249 2.344 -2.586) 4.768 3.782 ( 7.844 -2.379 -0.441) 8.209 3.782 ( 7.844 2.379 -0.441) 8.209 3.981 ( 0.155 -4.673 6.401) 7.927 3.981 ( 0.155 4.673 6.401) 7.927 4.522 ( 6.034 -7.696 -2.319) 10.051 4.522 ( 6.034 7.696 -2.319) 10.051 4.732 ( -5.382 -5.642 3.334) 8.480 4.732 ( -5.382 5.642 3.334) 8.480 5.348 ( -1.706 -3.831 3.788) 5.651 5.348 ( -1.706 3.831 3.788) 5.651 6.196 ( -3.915 -1.305 0.029) 4.127 6.196 ( -3.915 1.305 0.029) 4.127 6.575 ( 4.016 -2.293 0.945) 4.720 6.575 ( 4.016 2.293 0.945) 4.720 6.870 ( -0.232 -4.974 1.629) 5.239 6.870 ( -0.232 4.974 1.629) 5.239 8.130 ( -2.324 -8.600 -1.171) 8.985 8.130 ( -2.324 8.600 -1.171) 8.985 9.672 ( 0.515 -0.118 -3.049) 3.095 9.672 ( 0.515 0.118 -3.049) 3.095 10.755 ( 6.173 -2.999 -0.061) 6.863 10.755 ( 6.173 2.999 -0.061) 6.863 13.026 ( 9.532 -11.287 16.753) 22.336 13.026 ( 9.532 11.287 16.753) 22.336 14.359 ( -17.765 -10.610 -9.302) 22.687 14.359 ( -17.765 10.610 -9.302) 22.687 16.604 ( 7.190 -1.331 0.787) 7.354 16.604 ( 7.190 1.331 0.787) 7.354 ======================= Grid point 374 (185/185) ======================= q-point: ( 0.44 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.328 ( -2.222 -1.787 -3.411) 4.446 1.328 ( -2.222 1.787 -3.411) 4.446 1.753 ( -0.115 -1.067 -4.094) 4.232 1.753 ( -0.115 1.067 -4.094) 4.232 1.988 ( 5.115 -1.346 -1.617) 5.530 1.988 ( 5.115 1.346 -1.617) 5.530 2.183 ( -5.013 -3.988 -0.596) 6.433 2.183 ( -5.013 3.988 -0.596) 6.433 2.624 ( 3.183 -4.281 2.009) 5.700 2.624 ( 3.183 4.281 2.009) 5.700 2.798 ( -5.219 -3.792 -2.164) 6.805 2.798 ( -5.219 3.792 -2.164) 6.805 3.256 ( 2.831 -1.369 0.305) 3.159 3.256 ( 2.831 1.369 0.305) 3.159 3.906 ( 7.401 -4.566 -1.939) 8.909 3.906 ( 7.401 4.566 -1.939) 8.909 3.996 ( -4.175 -4.035 4.010) 7.056 3.996 ( -4.175 4.035 4.010) 7.056 4.559 ( 1.552 -5.249 -2.379) 5.968 4.559 ( 1.552 5.249 -2.379) 5.968 4.695 ( -1.915 -4.442 2.340) 5.374 4.695 ( -1.915 4.442 2.340) 5.374 5.352 ( -0.634 -1.282 1.385) 1.991 5.352 ( -0.634 1.282 1.385) 1.991 6.146 ( -1.651 -0.575 0.062) 1.750 6.146 ( -1.651 0.575 0.062) 1.750 6.644 ( 2.179 -1.550 0.685) 2.760 6.644 ( 2.179 1.550 0.685) 2.760 6.874 ( -0.284 -2.378 0.579) 2.463 6.874 ( -0.284 2.378 0.579) 2.463 8.088 ( -1.182 -3.491 -0.594) 3.734 8.088 ( -1.182 3.491 -0.594) 3.734 9.663 ( 0.405 -0.076 -1.051) 1.129 9.663 ( 0.405 0.076 -1.051) 1.129 10.824 ( 2.045 -1.230 -0.230) 2.397 10.824 ( 2.045 1.230 -0.230) 2.397 13.361 ( 10.464 -9.741 13.031) 19.344 13.361 ( 10.464 9.741 13.031) 19.344 13.978 ( -13.277 -9.474 -10.059) 19.163 13.978 ( -13.277 9.474 -10.059) 19.163 16.696 ( 2.615 -0.485 0.354) 2.683 16.696 ( 2.615 0.485 0.354) 2.683 =================== 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 3/24192 10.0 74.857 57.295 68.980 0.000 13.180 0.000 3/24192 20.0 24.704 16.927 21.750 0.000 4.736 0.000 3/24192 30.0 14.027 9.536 11.906 0.000 2.590 0.000 3/24192 40.0 9.687 6.658 7.980 0.000 1.698 0.000 3/24192 50.0 7.394 5.144 5.976 0.000 1.241 0.000 3/24192 60.0 5.980 4.202 4.779 0.000 0.971 0.000 3/24192 70.0 5.022 3.555 3.986 0.000 0.796 0.000 3/24192 80.0 4.332 3.084 3.425 0.000 0.674 0.000 3/24192 90.0 3.811 2.726 3.008 0.000 0.584 0.000 3/24192 100.0 3.407 2.444 2.686 0.000 0.516 0.000 3/24192 110.0 3.083 2.218 2.431 0.000 0.463 0.000 3/24192 120.0 2.819 2.032 2.223 0.000 0.421 0.000 3/24192 130.0 2.599 1.876 2.051 0.000 0.386 0.000 3/24192 140.0 2.413 1.744 1.906 0.000 0.357 0.000 3/24192 150.0 2.254 1.630 1.781 0.000 0.332 0.000 3/24192 160.0 2.116 1.530 1.673 0.000 0.311 0.000 3/24192 170.0 1.995 1.443 1.577 0.000 0.293 0.000 3/24192 180.0 1.887 1.365 1.493 0.000 0.277 0.000 3/24192 190.0 1.792 1.296 1.418 0.000 0.262 0.000 3/24192 200.0 1.706 1.233 1.350 0.000 0.249 0.000 3/24192 210.0 1.628 1.176 1.289 0.000 0.238 0.000 3/24192 220.0 1.557 1.125 1.233 0.000 0.227 0.000 3/24192 230.0 1.493 1.078 1.182 0.000 0.218 0.000 3/24192 240.0 1.433 1.034 1.135 0.000 0.209 0.000 3/24192 250.0 1.379 0.995 1.092 0.000 0.201 0.000 3/24192 260.0 1.328 0.958 1.052 0.000 0.194 0.000 3/24192 270.0 1.281 0.923 1.015 0.000 0.187 0.000 3/24192 280.0 1.237 0.891 0.980 0.000 0.180 0.000 3/24192 290.0 1.197 0.862 0.948 0.000 0.174 0.000 3/24192 300.0 1.159 0.834 0.918 0.000 0.169 0.000 3/24192 310.0 1.123 0.808 0.889 0.000 0.164 0.000 3/24192 320.0 1.089 0.783 0.863 0.000 0.159 0.000 3/24192 330.0 1.058 0.760 0.837 0.000 0.154 0.000 3/24192 340.0 1.028 0.739 0.814 0.000 0.150 0.000 3/24192 350.0 0.999 0.718 0.791 0.000 0.146 0.000 3/24192 360.0 0.973 0.699 0.770 0.000 0.142 0.000 3/24192 370.0 0.947 0.680 0.750 0.000 0.138 0.000 3/24192 380.0 0.923 0.663 0.731 0.000 0.134 0.000 3/24192 390.0 0.900 0.646 0.713 0.000 0.131 0.000 3/24192 400.0 0.879 0.630 0.695 0.000 0.128 0.000 3/24192 410.0 0.858 0.615 0.679 0.000 0.125 0.000 3/24192 420.0 0.838 0.601 0.663 0.000 0.122 0.000 3/24192 430.0 0.819 0.587 0.648 0.000 0.119 0.000 3/24192 440.0 0.801 0.574 0.634 0.000 0.117 0.000 3/24192 450.0 0.784 0.562 0.620 0.000 0.114 0.000 3/24192 460.0 0.767 0.550 0.607 0.000 0.112 0.000 3/24192 470.0 0.751 0.538 0.594 0.000 0.109 0.000 3/24192 480.0 0.736 0.527 0.582 0.000 0.107 0.000 3/24192 490.0 0.722 0.517 0.571 0.000 0.105 0.000 3/24192 500.0 0.708 0.506 0.560 0.000 0.103 0.000 3/24192 510.0 0.694 0.497 0.549 0.000 0.101 0.000 3/24192 520.0 0.681 0.487 0.539 0.000 0.099 0.000 3/24192 530.0 0.668 0.478 0.529 0.000 0.097 0.000 3/24192 540.0 0.656 0.469 0.519 0.000 0.096 0.000 3/24192 550.0 0.645 0.461 0.510 0.000 0.094 0.000 3/24192 560.0 0.633 0.453 0.501 0.000 0.092 0.000 3/24192 570.0 0.622 0.445 0.492 0.000 0.091 0.000 3/24192 580.0 0.612 0.438 0.484 0.000 0.089 0.000 3/24192 590.0 0.602 0.430 0.476 0.000 0.088 0.000 3/24192 600.0 0.592 0.423 0.468 0.000 0.086 0.000 3/24192 610.0 0.582 0.416 0.460 0.000 0.085 0.000 3/24192 620.0 0.573 0.410 0.453 0.000 0.083 0.000 3/24192 630.0 0.564 0.403 0.446 0.000 0.082 0.000 3/24192 640.0 0.556 0.397 0.439 0.000 0.081 0.000 3/24192 650.0 0.547 0.391 0.432 0.000 0.080 0.000 3/24192 660.0 0.539 0.385 0.426 0.000 0.078 0.000 3/24192 670.0 0.531 0.379 0.420 0.000 0.077 0.000 3/24192 680.0 0.523 0.374 0.414 0.000 0.076 0.000 3/24192 690.0 0.516 0.368 0.408 0.000 0.075 0.000 3/24192 700.0 0.509 0.363 0.402 0.000 0.074 0.000 3/24192 710.0 0.502 0.358 0.396 0.000 0.073 0.000 3/24192 720.0 0.495 0.353 0.391 0.000 0.072 0.000 3/24192 730.0 0.488 0.348 0.386 0.000 0.071 0.000 3/24192 740.0 0.482 0.344 0.381 0.000 0.070 0.000 3/24192 750.0 0.475 0.339 0.375 0.000 0.069 0.000 3/24192 760.0 0.469 0.335 0.371 0.000 0.068 0.000 3/24192 770.0 0.463 0.331 0.366 0.000 0.067 0.000 3/24192 780.0 0.457 0.326 0.361 0.000 0.067 0.000 3/24192 790.0 0.451 0.322 0.357 0.000 0.066 0.000 3/24192 800.0 0.446 0.318 0.352 0.000 0.065 0.000 3/24192 810.0 0.440 0.314 0.348 0.000 0.064 0.000 3/24192 820.0 0.435 0.311 0.344 0.000 0.063 0.000 3/24192 830.0 0.430 0.307 0.340 0.000 0.063 0.000 3/24192 840.0 0.425 0.303 0.336 0.000 0.062 0.000 3/24192 850.0 0.420 0.300 0.332 0.000 0.061 0.000 3/24192 860.0 0.415 0.296 0.328 0.000 0.060 0.000 3/24192 870.0 0.410 0.293 0.324 0.000 0.060 0.000 3/24192 880.0 0.406 0.289 0.321 0.000 0.059 0.000 3/24192 890.0 0.401 0.286 0.317 0.000 0.058 0.000 3/24192 900.0 0.397 0.283 0.313 0.000 0.058 0.000 3/24192 910.0 0.392 0.280 0.310 0.000 0.057 0.000 3/24192 920.0 0.388 0.277 0.307 0.000 0.057 0.000 3/24192 930.0 0.384 0.274 0.303 0.000 0.056 0.000 3/24192 940.0 0.380 0.271 0.300 0.000 0.055 0.000 3/24192 950.0 0.376 0.268 0.297 0.000 0.055 0.000 3/24192 960.0 0.372 0.266 0.294 0.000 0.054 0.000 3/24192 970.0 0.368 0.263 0.291 0.000 0.054 0.000 3/24192 980.0 0.365 0.260 0.288 0.000 0.053 0.000 3/24192 990.0 0.361 0.258 0.285 0.000 0.053 0.000 3/24192 1000.0 0.357 0.255 0.282 0.000 0.052 0.000 3/24192 Thermal conductivity related properties were written into "kappa-m988.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:28:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|