----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 04:24:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 3 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.868287562549500 0.000000000000000 0.000000000000000 b 0.000000000000000 4.044614000000001 0.000000000000000 c -2.728849877927904 0.000000000000000 8.202861275925651 Atomic positions (fractional): *1 Sr 0.20223868344995 0.25000000000000 0.96566177155352 87.620 *2 Sr 0.81390850197487 0.75000000000000 0.62166722203737 87.620 3 Sr 0.18609149802513 0.25000000000000 0.37833277796263 87.620 4 Sr 0.79776131655005 0.75000000000000 0.03433822844648 87.620 *5 Ga 0.53585679148300 0.25000000000000 0.75209507376936 69.723 6 Ga 0.46414320851700 0.75000000000000 0.24790492623065 69.723 *7 Ge 0.32403132525129 0.75000000000000 0.69995952074402 72.640 8 Ge 0.67596867474871 0.25000000000000 0.30004047925598 72.640 *9 N 0.82465995968851 0.25000000000000 0.82941912392782 14.007 10 N 0.17534004031149 0.75000000000000 0.17058087607218 14.007 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.868287562549500 0.000000000000000 0.000000000000000 b 0.000000000000000 4.044614000000001 0.000000000000000 c -2.728849877927904 0.000000000000000 8.202861275925651 Atomic positions (fractional): *1 Sr 0.20223868344995 0.25000000000000 0.96566177155352 87.620 > 1 *2 Sr 0.81390850197487 0.75000000000000 0.62166722203737 87.620 > 2 3 Sr 0.18609149802513 0.25000000000000 0.37833277796263 87.620 > 3 4 Sr 0.79776131655005 0.75000000000000 0.03433822844648 87.620 > 4 *5 Ga 0.53585679148300 0.25000000000000 0.75209507376936 69.723 > 5 6 Ga 0.46414320851700 0.75000000000000 0.24790492623065 69.723 > 6 *7 Ge 0.32403132525129 0.75000000000000 0.69995952074402 72.640 > 7 8 Ge 0.67596867474871 0.25000000000000 0.30004047925598 72.640 > 8 *9 N 0.82465995968851 0.25000000000000 0.82941912392782 14.007 > 9 10 N 0.17534004031149 0.75000000000000 0.17058087607218 14.007 > 10 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.736575125099000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.133842000000003 0.000000000000000 c -5.457699755855808 0.000000000000000 16.405722551851301 Atomic positions (fractional): *1 Sr 0.10111934172498 0.08333333333333 0.48283088577676 87.620 > 1 2 Sr 0.60111934172498 0.08333333333333 0.48283088577676 87.620 > 1 3 Sr 0.10111934172498 0.41666666666667 0.48283088577676 87.620 > 1 4 Sr 0.60111934172498 0.41666666666667 0.48283088577676 87.620 > 1 5 Sr 0.10111934172498 0.75000000000000 0.48283088577676 87.620 > 1 6 Sr 0.60111934172498 0.75000000000000 0.48283088577676 87.620 > 1 7 Sr 0.10111934172498 0.08333333333333 0.98283088577676 87.620 > 1 8 Sr 0.60111934172498 0.08333333333333 0.98283088577676 87.620 > 1 9 Sr 0.10111934172498 0.41666666666667 0.98283088577676 87.620 > 1 10 Sr 0.60111934172498 0.41666666666667 0.98283088577676 87.620 > 1 11 Sr 0.10111934172498 0.75000000000000 0.98283088577676 87.620 > 1 12 Sr 0.60111934172498 0.75000000000000 0.98283088577676 87.620 > 1 *13 Sr 0.40695425098744 0.25000000000000 0.31083361101869 87.620 > 2 14 Sr 0.90695425098744 0.25000000000000 0.31083361101869 87.620 > 2 15 Sr 0.40695425098744 0.58333333333333 0.31083361101869 87.620 > 2 16 Sr 0.90695425098744 0.58333333333333 0.31083361101869 87.620 > 2 17 Sr 0.40695425098744 0.91666666666667 0.31083361101869 87.620 > 2 18 Sr 0.90695425098744 0.91666666666667 0.31083361101869 87.620 > 2 19 Sr 0.40695425098744 0.25000000000000 0.81083361101869 87.620 > 2 20 Sr 0.90695425098744 0.25000000000000 0.81083361101869 87.620 > 2 21 Sr 0.40695425098744 0.58333333333333 0.81083361101869 87.620 > 2 22 Sr 0.90695425098744 0.58333333333333 0.81083361101869 87.620 > 2 23 Sr 0.40695425098744 0.91666666666667 0.81083361101869 87.620 > 2 24 Sr 0.90695425098744 0.91666666666667 0.81083361101869 87.620 > 2 25 Sr 0.09304574901256 0.08333333333333 0.18916638898131 87.620 > 3 26 Sr 0.59304574901256 0.08333333333333 0.18916638898131 87.620 > 3 27 Sr 0.09304574901256 0.41666666666667 0.18916638898131 87.620 > 3 28 Sr 0.59304574901256 0.41666666666667 0.18916638898131 87.620 > 3 29 Sr 0.09304574901256 0.75000000000000 0.18916638898131 87.620 > 3 30 Sr 0.59304574901256 0.75000000000000 0.18916638898131 87.620 > 3 31 Sr 0.09304574901256 0.08333333333333 0.68916638898131 87.620 > 3 32 Sr 0.59304574901256 0.08333333333333 0.68916638898131 87.620 > 3 33 Sr 0.09304574901256 0.41666666666667 0.68916638898131 87.620 > 3 34 Sr 0.59304574901256 0.41666666666667 0.68916638898131 87.620 > 3 35 Sr 0.09304574901256 0.75000000000000 0.68916638898131 87.620 > 3 36 Sr 0.59304574901256 0.75000000000000 0.68916638898131 87.620 > 3 37 Sr 0.39888065827502 0.25000000000000 0.01716911422324 87.620 > 4 38 Sr 0.89888065827502 0.25000000000000 0.01716911422324 87.620 > 4 39 Sr 0.39888065827502 0.58333333333333 0.01716911422324 87.620 > 4 40 Sr 0.89888065827502 0.58333333333333 0.01716911422324 87.620 > 4 41 Sr 0.39888065827502 0.91666666666667 0.01716911422324 87.620 > 4 42 Sr 0.89888065827502 0.91666666666667 0.01716911422324 87.620 > 4 43 Sr 0.39888065827502 0.25000000000000 0.51716911422324 87.620 > 4 44 Sr 0.89888065827502 0.25000000000000 0.51716911422324 87.620 > 4 45 Sr 0.39888065827502 0.58333333333333 0.51716911422324 87.620 > 4 46 Sr 0.89888065827502 0.58333333333333 0.51716911422324 87.620 > 4 47 Sr 0.39888065827502 0.91666666666667 0.51716911422324 87.620 > 4 48 Sr 0.89888065827502 0.91666666666667 0.51716911422324 87.620 > 4 *49 Ga 0.26792839574150 0.08333333333333 0.37604753688468 69.723 > 5 50 Ga 0.76792839574150 0.08333333333333 0.37604753688468 69.723 > 5 51 Ga 0.26792839574150 0.41666666666667 0.37604753688468 69.723 > 5 52 Ga 0.76792839574150 0.41666666666667 0.37604753688468 69.723 > 5 53 Ga 0.26792839574150 0.75000000000000 0.37604753688468 69.723 > 5 54 Ga 0.76792839574150 0.75000000000000 0.37604753688468 69.723 > 5 55 Ga 0.26792839574150 0.08333333333333 0.87604753688468 69.723 > 5 56 Ga 0.76792839574150 0.08333333333333 0.87604753688468 69.723 > 5 57 Ga 0.26792839574150 0.41666666666667 0.87604753688468 69.723 > 5 58 Ga 0.76792839574150 0.41666666666667 0.87604753688468 69.723 > 5 59 Ga 0.26792839574150 0.75000000000000 0.87604753688468 69.723 > 5 60 Ga 0.76792839574150 0.75000000000000 0.87604753688468 69.723 > 5 61 Ga 0.23207160425850 0.25000000000000 0.12395246311532 69.723 > 6 62 Ga 0.73207160425850 0.25000000000000 0.12395246311532 69.723 > 6 63 Ga 0.23207160425850 0.58333333333333 0.12395246311532 69.723 > 6 64 Ga 0.73207160425850 0.58333333333333 0.12395246311532 69.723 > 6 65 Ga 0.23207160425850 0.91666666666667 0.12395246311532 69.723 > 6 66 Ga 0.73207160425850 0.91666666666667 0.12395246311532 69.723 > 6 67 Ga 0.23207160425850 0.25000000000000 0.62395246311532 69.723 > 6 68 Ga 0.73207160425850 0.25000000000000 0.62395246311532 69.723 > 6 69 Ga 0.23207160425850 0.58333333333333 0.62395246311532 69.723 > 6 70 Ga 0.73207160425850 0.58333333333333 0.62395246311532 69.723 > 6 71 Ga 0.23207160425850 0.91666666666667 0.62395246311532 69.723 > 6 72 Ga 0.73207160425850 0.91666666666667 0.62395246311532 69.723 > 6 *73 Ge 0.16201566262565 0.25000000000000 0.34997976037201 72.640 > 7 74 Ge 0.66201566262565 0.25000000000000 0.34997976037201 72.640 > 7 75 Ge 0.16201566262565 0.58333333333333 0.34997976037201 72.640 > 7 76 Ge 0.66201566262565 0.58333333333333 0.34997976037201 72.640 > 7 77 Ge 0.16201566262565 0.91666666666667 0.34997976037201 72.640 > 7 78 Ge 0.66201566262565 0.91666666666667 0.34997976037201 72.640 > 7 79 Ge 0.16201566262565 0.25000000000000 0.84997976037201 72.640 > 7 80 Ge 0.66201566262565 0.25000000000000 0.84997976037201 72.640 > 7 81 Ge 0.16201566262565 0.58333333333333 0.84997976037201 72.640 > 7 82 Ge 0.66201566262565 0.58333333333333 0.84997976037201 72.640 > 7 83 Ge 0.16201566262565 0.91666666666667 0.84997976037201 72.640 > 7 84 Ge 0.66201566262565 0.91666666666667 0.84997976037201 72.640 > 7 85 Ge 0.33798433737435 0.08333333333333 0.15002023962799 72.640 > 8 86 Ge 0.83798433737435 0.08333333333333 0.15002023962799 72.640 > 8 87 Ge 0.33798433737435 0.41666666666667 0.15002023962799 72.640 > 8 88 Ge 0.83798433737435 0.41666666666667 0.15002023962799 72.640 > 8 89 Ge 0.33798433737435 0.75000000000000 0.15002023962799 72.640 > 8 90 Ge 0.83798433737435 0.75000000000000 0.15002023962799 72.640 > 8 91 Ge 0.33798433737435 0.08333333333333 0.65002023962799 72.640 > 8 92 Ge 0.83798433737435 0.08333333333333 0.65002023962799 72.640 > 8 93 Ge 0.33798433737435 0.41666666666667 0.65002023962799 72.640 > 8 94 Ge 0.83798433737435 0.41666666666667 0.65002023962799 72.640 > 8 95 Ge 0.33798433737435 0.75000000000000 0.65002023962799 72.640 > 8 96 Ge 0.83798433737435 0.75000000000000 0.65002023962799 72.640 > 8 *97 N 0.41232997984426 0.08333333333333 0.41470956196391 14.007 > 9 98 N 0.91232997984426 0.08333333333333 0.41470956196391 14.007 > 9 99 N 0.41232997984426 0.41666666666667 0.41470956196391 14.007 > 9 100 N 0.91232997984426 0.41666666666667 0.41470956196391 14.007 > 9 101 N 0.41232997984426 0.75000000000000 0.41470956196391 14.007 > 9 102 N 0.91232997984426 0.75000000000000 0.41470956196391 14.007 > 9 103 N 0.41232997984426 0.08333333333333 0.91470956196391 14.007 > 9 104 N 0.91232997984426 0.08333333333333 0.91470956196391 14.007 > 9 105 N 0.41232997984426 0.41666666666667 0.91470956196391 14.007 > 9 106 N 0.91232997984426 0.41666666666667 0.91470956196391 14.007 > 9 107 N 0.41232997984426 0.75000000000000 0.91470956196391 14.007 > 9 108 N 0.91232997984426 0.75000000000000 0.91470956196391 14.007 > 9 109 N 0.08767002015574 0.25000000000000 0.08529043803609 14.007 > 10 110 N 0.58767002015574 0.25000000000000 0.08529043803609 14.007 > 10 111 N 0.08767002015574 0.58333333333333 0.08529043803609 14.007 > 10 112 N 0.58767002015574 0.58333333333333 0.08529043803609 14.007 > 10 113 N 0.08767002015574 0.91666666666667 0.08529043803609 14.007 > 10 114 N 0.58767002015574 0.91666666666667 0.08529043803609 14.007 > 10 115 N 0.08767002015574 0.25000000000000 0.58529043803609 14.007 > 10 116 N 0.58767002015574 0.25000000000000 0.58529043803609 14.007 > 10 117 N 0.08767002015574 0.58333333333333 0.58529043803609 14.007 > 10 118 N 0.58767002015574 0.58333333333333 0.58529043803609 14.007 > 10 119 N 0.08767002015574 0.91666666666667 0.58529043803609 14.007 > 10 120 N 0.58767002015574 0.91666666666667 0.58529043803609 14.007 > 10 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 10.3383622 0.0000000 -0.0136851 0.0000000 38.1321669 0.0000000 -0.0131710 0.0000000 11.6931456 -------------------------- Born effective charges -------------------------- 1 Sr 2.7275135 0.0000000 0.1991263 0.0000000 3.0704368 0.0000000 0.2202118 0.0000000 2.9711953 2 Sr 2.4323872 0.0000000 -0.0514017 0.0000000 2.9298443 0.0000000 -0.1479278 0.0000000 2.4183607 3 Sr 2.4323872 0.0000000 -0.0514017 0.0000000 2.9298443 0.0000000 -0.1479278 0.0000000 2.4183607 4 Sr 2.7275135 0.0000000 0.1991263 0.0000000 3.0704368 0.0000000 0.2202118 0.0000000 2.9711953 5 Ga 1.2891980 0.0000000 0.2896672 0.0000000 3.6616320 0.0000000 0.2864803 0.0000000 0.7768186 6 Ga 1.2891980 0.0000000 0.2896672 0.0000000 3.6616320 0.0000000 0.2864803 0.0000000 0.7768186 7 Ge -1.9614558 0.0000000 0.1801854 0.0000000 -6.7028384 0.0000000 0.2622246 0.0000000 -2.6335186 8 Ge -1.9614558 0.0000000 0.1801854 0.0000000 -6.7028384 0.0000000 0.2622246 0.0000000 -2.6335186 9 N -4.4876429 0.0000000 -0.6175773 0.0000000 -2.9590746 0.0000000 -0.6209891 0.0000000 -3.5328559 10 N -4.4876429 0.0000000 -0.6175773 0.0000000 -2.9590746 0.0000000 -0.6209891 0.0000000 -3.5328559 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 360/360 Permutation basis: 5880/5880 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1520 Number of blocks in projector: 1520 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 240 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 240 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 240 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 200 Use standard eigh solver. Tree of FC basis block matrices: - (1520, 1496), data: False |-- (200, 200), data: True |-- (200, 200), data: True |-- (240, 235), data: True |-- (240, 235), data: True |-- (240, 235), data: True |-- (400, 391), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 320 - Time: 2.148 Solver_block: 200 / 320 - Time: 2.164 Solver_block: 300 / 320 - Time: 2.162 Solver_block: 320 / 320 - Time: 0.520 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 7.028 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 360/360 Permutation basis: 5880/5880 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1520 Number of blocks in projector: 1520 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 240 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 240 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 240 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 200 Use standard eigh solver. Tree of FC basis block matrices: - (1520, 1496), data: False |-- (200, 200), data: True |-- (200, 200), data: True |-- (240, 235), data: True |-- (240, 235), data: True |-- (240, 235), data: True |-- (400, 391), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-09 04:25:11]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 04:25:11]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 3 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.868287562549500 0.000000000000000 0.000000000000000 b 0.000000000000000 4.044614000000001 0.000000000000000 c -2.728849877927904 0.000000000000000 8.202861275925651 Atomic positions (fractional): 1 Sr 0.20223868344995 0.25000000000000 0.96566177155352 87.620 2 Sr 0.81390850197487 0.75000000000000 0.62166722203737 87.620 3 Sr 0.18609149802513 0.25000000000000 0.37833277796263 87.620 4 Sr 0.79776131655005 0.75000000000000 0.03433822844648 87.620 5 Ga 0.53585679148300 0.25000000000000 0.75209507376936 69.723 6 Ga 0.46414320851700 0.75000000000000 0.24790492623065 69.723 7 Ge 0.32403132525129 0.75000000000000 0.69995952074402 72.640 8 Ge 0.67596867474871 0.25000000000000 0.30004047925598 72.640 9 N 0.82465995968851 0.25000000000000 0.82941912392782 14.007 10 N 0.17534004031149 0.75000000000000 0.17058087607218 14.007 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.736575125099000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.133842000000003 0.000000000000000 c -5.457699755855808 0.000000000000000 16.405722551851301 Atomic positions (fractional): 1 Sr 0.10111934172498 0.08333333333333 0.48283088577676 87.620 > 1 2 Sr 0.60111934172498 0.08333333333333 0.48283088577676 87.620 > 1 3 Sr 0.10111934172498 0.41666666666667 0.48283088577676 87.620 > 1 4 Sr 0.60111934172498 0.41666666666667 0.48283088577676 87.620 > 1 5 Sr 0.10111934172498 0.75000000000000 0.48283088577676 87.620 > 1 6 Sr 0.60111934172498 0.75000000000000 0.48283088577676 87.620 > 1 7 Sr 0.10111934172498 0.08333333333333 0.98283088577676 87.620 > 1 8 Sr 0.60111934172498 0.08333333333333 0.98283088577676 87.620 > 1 9 Sr 0.10111934172498 0.41666666666667 0.98283088577676 87.620 > 1 10 Sr 0.60111934172498 0.41666666666667 0.98283088577676 87.620 > 1 11 Sr 0.10111934172498 0.75000000000000 0.98283088577676 87.620 > 1 12 Sr 0.60111934172498 0.75000000000000 0.98283088577676 87.620 > 1 13 Sr 0.40695425098744 0.25000000000000 0.31083361101869 87.620 > 13 14 Sr 0.90695425098744 0.25000000000000 0.31083361101869 87.620 > 13 15 Sr 0.40695425098744 0.58333333333333 0.31083361101869 87.620 > 13 16 Sr 0.90695425098744 0.58333333333333 0.31083361101869 87.620 > 13 17 Sr 0.40695425098744 0.91666666666667 0.31083361101869 87.620 > 13 18 Sr 0.90695425098744 0.91666666666667 0.31083361101869 87.620 > 13 19 Sr 0.40695425098744 0.25000000000000 0.81083361101869 87.620 > 13 20 Sr 0.90695425098744 0.25000000000000 0.81083361101869 87.620 > 13 21 Sr 0.40695425098744 0.58333333333333 0.81083361101869 87.620 > 13 22 Sr 0.90695425098744 0.58333333333333 0.81083361101869 87.620 > 13 23 Sr 0.40695425098744 0.91666666666667 0.81083361101869 87.620 > 13 24 Sr 0.90695425098744 0.91666666666667 0.81083361101869 87.620 > 13 25 Sr 0.09304574901256 0.08333333333333 0.18916638898131 87.620 > 25 26 Sr 0.59304574901256 0.08333333333333 0.18916638898131 87.620 > 25 27 Sr 0.09304574901256 0.41666666666667 0.18916638898131 87.620 > 25 28 Sr 0.59304574901256 0.41666666666667 0.18916638898131 87.620 > 25 29 Sr 0.09304574901256 0.75000000000000 0.18916638898131 87.620 > 25 30 Sr 0.59304574901256 0.75000000000000 0.18916638898131 87.620 > 25 31 Sr 0.09304574901256 0.08333333333333 0.68916638898131 87.620 > 25 32 Sr 0.59304574901256 0.08333333333333 0.68916638898131 87.620 > 25 33 Sr 0.09304574901256 0.41666666666667 0.68916638898131 87.620 > 25 34 Sr 0.59304574901256 0.41666666666667 0.68916638898131 87.620 > 25 35 Sr 0.09304574901256 0.75000000000000 0.68916638898131 87.620 > 25 36 Sr 0.59304574901256 0.75000000000000 0.68916638898131 87.620 > 25 37 Sr 0.39888065827502 0.25000000000000 0.01716911422324 87.620 > 37 38 Sr 0.89888065827502 0.25000000000000 0.01716911422324 87.620 > 37 39 Sr 0.39888065827502 0.58333333333333 0.01716911422324 87.620 > 37 40 Sr 0.89888065827502 0.58333333333333 0.01716911422324 87.620 > 37 41 Sr 0.39888065827502 0.91666666666667 0.01716911422324 87.620 > 37 42 Sr 0.89888065827502 0.91666666666667 0.01716911422324 87.620 > 37 43 Sr 0.39888065827502 0.25000000000000 0.51716911422324 87.620 > 37 44 Sr 0.89888065827502 0.25000000000000 0.51716911422324 87.620 > 37 45 Sr 0.39888065827502 0.58333333333333 0.51716911422324 87.620 > 37 46 Sr 0.89888065827502 0.58333333333333 0.51716911422324 87.620 > 37 47 Sr 0.39888065827502 0.91666666666667 0.51716911422324 87.620 > 37 48 Sr 0.89888065827502 0.91666666666667 0.51716911422324 87.620 > 37 49 Ga 0.26792839574150 0.08333333333333 0.37604753688468 69.723 > 49 50 Ga 0.76792839574150 0.08333333333333 0.37604753688468 69.723 > 49 51 Ga 0.26792839574150 0.41666666666667 0.37604753688468 69.723 > 49 52 Ga 0.76792839574150 0.41666666666667 0.37604753688468 69.723 > 49 53 Ga 0.26792839574150 0.75000000000000 0.37604753688468 69.723 > 49 54 Ga 0.76792839574150 0.75000000000000 0.37604753688468 69.723 > 49 55 Ga 0.26792839574150 0.08333333333333 0.87604753688468 69.723 > 49 56 Ga 0.76792839574150 0.08333333333333 0.87604753688468 69.723 > 49 57 Ga 0.26792839574150 0.41666666666667 0.87604753688468 69.723 > 49 58 Ga 0.76792839574150 0.41666666666667 0.87604753688468 69.723 > 49 59 Ga 0.26792839574150 0.75000000000000 0.87604753688468 69.723 > 49 60 Ga 0.76792839574150 0.75000000000000 0.87604753688468 69.723 > 49 61 Ga 0.23207160425850 0.25000000000000 0.12395246311532 69.723 > 61 62 Ga 0.73207160425850 0.25000000000000 0.12395246311532 69.723 > 61 63 Ga 0.23207160425850 0.58333333333333 0.12395246311532 69.723 > 61 64 Ga 0.73207160425850 0.58333333333333 0.12395246311532 69.723 > 61 65 Ga 0.23207160425850 0.91666666666667 0.12395246311532 69.723 > 61 66 Ga 0.73207160425850 0.91666666666667 0.12395246311532 69.723 > 61 67 Ga 0.23207160425850 0.25000000000000 0.62395246311532 69.723 > 61 68 Ga 0.73207160425850 0.25000000000000 0.62395246311532 69.723 > 61 69 Ga 0.23207160425850 0.58333333333333 0.62395246311532 69.723 > 61 70 Ga 0.73207160425850 0.58333333333333 0.62395246311532 69.723 > 61 71 Ga 0.23207160425850 0.91666666666667 0.62395246311532 69.723 > 61 72 Ga 0.73207160425850 0.91666666666667 0.62395246311532 69.723 > 61 73 Ge 0.16201566262565 0.25000000000000 0.34997976037201 72.640 > 73 74 Ge 0.66201566262565 0.25000000000000 0.34997976037201 72.640 > 73 75 Ge 0.16201566262565 0.58333333333333 0.34997976037201 72.640 > 73 76 Ge 0.66201566262565 0.58333333333333 0.34997976037201 72.640 > 73 77 Ge 0.16201566262565 0.91666666666667 0.34997976037201 72.640 > 73 78 Ge 0.66201566262565 0.91666666666667 0.34997976037201 72.640 > 73 79 Ge 0.16201566262565 0.25000000000000 0.84997976037201 72.640 > 73 80 Ge 0.66201566262565 0.25000000000000 0.84997976037201 72.640 > 73 81 Ge 0.16201566262565 0.58333333333333 0.84997976037201 72.640 > 73 82 Ge 0.66201566262565 0.58333333333333 0.84997976037201 72.640 > 73 83 Ge 0.16201566262565 0.91666666666667 0.84997976037201 72.640 > 73 84 Ge 0.66201566262565 0.91666666666667 0.84997976037201 72.640 > 73 85 Ge 0.33798433737435 0.08333333333333 0.15002023962799 72.640 > 85 86 Ge 0.83798433737435 0.08333333333333 0.15002023962799 72.640 > 85 87 Ge 0.33798433737435 0.41666666666667 0.15002023962799 72.640 > 85 88 Ge 0.83798433737435 0.41666666666667 0.15002023962799 72.640 > 85 89 Ge 0.33798433737435 0.75000000000000 0.15002023962799 72.640 > 85 90 Ge 0.83798433737435 0.75000000000000 0.15002023962799 72.640 > 85 91 Ge 0.33798433737435 0.08333333333333 0.65002023962799 72.640 > 85 92 Ge 0.83798433737435 0.08333333333333 0.65002023962799 72.640 > 85 93 Ge 0.33798433737435 0.41666666666667 0.65002023962799 72.640 > 85 94 Ge 0.83798433737435 0.41666666666667 0.65002023962799 72.640 > 85 95 Ge 0.33798433737435 0.75000000000000 0.65002023962799 72.640 > 85 96 Ge 0.83798433737435 0.75000000000000 0.65002023962799 72.640 > 85 97 N 0.41232997984426 0.08333333333333 0.41470956196391 14.007 > 97 98 N 0.91232997984426 0.08333333333333 0.41470956196391 14.007 > 97 99 N 0.41232997984426 0.41666666666667 0.41470956196391 14.007 > 97 100 N 0.91232997984426 0.41666666666667 0.41470956196391 14.007 > 97 101 N 0.41232997984426 0.75000000000000 0.41470956196391 14.007 > 97 102 N 0.91232997984426 0.75000000000000 0.41470956196391 14.007 > 97 103 N 0.41232997984426 0.08333333333333 0.91470956196391 14.007 > 97 104 N 0.91232997984426 0.08333333333333 0.91470956196391 14.007 > 97 105 N 0.41232997984426 0.41666666666667 0.91470956196391 14.007 > 97 106 N 0.91232997984426 0.41666666666667 0.91470956196391 14.007 > 97 107 N 0.41232997984426 0.75000000000000 0.91470956196391 14.007 > 97 108 N 0.91232997984426 0.75000000000000 0.91470956196391 14.007 > 97 109 N 0.08767002015574 0.25000000000000 0.08529043803609 14.007 > 109 110 N 0.58767002015574 0.25000000000000 0.08529043803609 14.007 > 109 111 N 0.08767002015574 0.58333333333333 0.08529043803609 14.007 > 109 112 N 0.58767002015574 0.58333333333333 0.08529043803609 14.007 > 109 113 N 0.08767002015574 0.91666666666667 0.08529043803609 14.007 > 109 114 N 0.58767002015574 0.91666666666667 0.08529043803609 14.007 > 109 115 N 0.08767002015574 0.25000000000000 0.58529043803609 14.007 > 109 116 N 0.58767002015574 0.25000000000000 0.58529043803609 14.007 > 109 117 N 0.08767002015574 0.58333333333333 0.58529043803609 14.007 > 109 118 N 0.58767002015574 0.58333333333333 0.58529043803609 14.007 > 109 119 N 0.08767002015574 0.91666666666667 0.58529043803609 14.007 > 109 120 N 0.58767002015574 0.91666666666667 0.58529043803609 14.007 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 10.3383622 0.0000000 -0.0136851 0.0000000 38.1321669 0.0000000 -0.0131710 0.0000000 11.6931456 -------------------------- Born effective charges -------------------------- 1 Sr 2.7275135 0.0000000 0.1991263 0.0000000 3.0704368 0.0000000 0.2202118 0.0000000 2.9711953 2 Sr 2.4323872 0.0000000 -0.0514017 0.0000000 2.9298443 0.0000000 -0.1479278 0.0000000 2.4183607 3 Sr 2.4323872 0.0000000 -0.0514017 0.0000000 2.9298443 0.0000000 -0.1479278 0.0000000 2.4183607 4 Sr 2.7275135 0.0000000 0.1991263 0.0000000 3.0704368 0.0000000 0.2202118 0.0000000 2.9711953 5 Ga 1.2891980 0.0000000 0.2896672 0.0000000 3.6616320 0.0000000 0.2864803 0.0000000 0.7768186 6 Ga 1.2891980 0.0000000 0.2896672 0.0000000 3.6616320 0.0000000 0.2864803 0.0000000 0.7768186 7 Ge -1.9614558 0.0000000 0.1801854 0.0000000 -6.7028384 0.0000000 0.2622246 0.0000000 -2.6335186 8 Ge -1.9614558 0.0000000 0.1801854 0.0000000 -6.7028384 0.0000000 0.2622246 0.0000000 -2.6335186 9 N -4.4876429 0.0000000 -0.6175773 0.0000000 -2.9590746 0.0000000 -0.6209891 0.0000000 -3.5328559 10 N -4.4876429 0.0000000 -0.6175773 0.0000000 -2.9590746 0.0000000 -0.6209891 0.0000000 -3.5328559 ---------------------------------------------------------------------------- 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] [-0.0032 0.0000 0.0095] [ 0.0032 0.0000 -0.0095] Computing fc3[ 13, 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] [-0.0032 0.0000 0.0095] [ 0.0032 0.0000 -0.0095] 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] [-0.0032 0.0000 0.0095] [ 0.0032 0.0000 -0.0095] Computing fc3[ 73, 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] [-0.0032 0.0000 0.0095] [ 0.0032 0.0000 -0.0095] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0032 0.0000 0.0095] [ 0.0032 0.0000 -0.0095] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000001 (xxx) 0.00000001 (xxx) 0.00000001 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zx) 0.00000000 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 04:25:29]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 04:25:29]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 3 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.868287562549500 0.000000000000000 0.000000000000000 b 0.000000000000000 4.044614000000001 0.000000000000000 c -2.728849877927904 0.000000000000000 8.202861275925651 Atomic positions (fractional): 1 Sr 0.20223868344995 0.25000000000000 0.96566177155352 87.620 2 Sr 0.81390850197487 0.75000000000000 0.62166722203737 87.620 3 Sr 0.18609149802513 0.25000000000000 0.37833277796263 87.620 4 Sr 0.79776131655005 0.75000000000000 0.03433822844648 87.620 5 Ga 0.53585679148300 0.25000000000000 0.75209507376936 69.723 6 Ga 0.46414320851700 0.75000000000000 0.24790492623065 69.723 7 Ge 0.32403132525129 0.75000000000000 0.69995952074402 72.640 8 Ge 0.67596867474871 0.25000000000000 0.30004047925598 72.640 9 N 0.82465995968851 0.25000000000000 0.82941912392782 14.007 10 N 0.17534004031149 0.75000000000000 0.17058087607218 14.007 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.736575125099000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.133842000000003 0.000000000000000 c -5.457699755855808 0.000000000000000 16.405722551851301 Atomic positions (fractional): 1 Sr 0.10111934172498 0.08333333333333 0.48283088577676 87.620 > 1 2 Sr 0.60111934172498 0.08333333333333 0.48283088577676 87.620 > 1 3 Sr 0.10111934172498 0.41666666666667 0.48283088577676 87.620 > 1 4 Sr 0.60111934172498 0.41666666666667 0.48283088577676 87.620 > 1 5 Sr 0.10111934172498 0.75000000000000 0.48283088577676 87.620 > 1 6 Sr 0.60111934172498 0.75000000000000 0.48283088577676 87.620 > 1 7 Sr 0.10111934172498 0.08333333333333 0.98283088577676 87.620 > 1 8 Sr 0.60111934172498 0.08333333333333 0.98283088577676 87.620 > 1 9 Sr 0.10111934172498 0.41666666666667 0.98283088577676 87.620 > 1 10 Sr 0.60111934172498 0.41666666666667 0.98283088577676 87.620 > 1 11 Sr 0.10111934172498 0.75000000000000 0.98283088577676 87.620 > 1 12 Sr 0.60111934172498 0.75000000000000 0.98283088577676 87.620 > 1 13 Sr 0.40695425098744 0.25000000000000 0.31083361101869 87.620 > 13 14 Sr 0.90695425098744 0.25000000000000 0.31083361101869 87.620 > 13 15 Sr 0.40695425098744 0.58333333333333 0.31083361101869 87.620 > 13 16 Sr 0.90695425098744 0.58333333333333 0.31083361101869 87.620 > 13 17 Sr 0.40695425098744 0.91666666666667 0.31083361101869 87.620 > 13 18 Sr 0.90695425098744 0.91666666666667 0.31083361101869 87.620 > 13 19 Sr 0.40695425098744 0.25000000000000 0.81083361101869 87.620 > 13 20 Sr 0.90695425098744 0.25000000000000 0.81083361101869 87.620 > 13 21 Sr 0.40695425098744 0.58333333333333 0.81083361101869 87.620 > 13 22 Sr 0.90695425098744 0.58333333333333 0.81083361101869 87.620 > 13 23 Sr 0.40695425098744 0.91666666666667 0.81083361101869 87.620 > 13 24 Sr 0.90695425098744 0.91666666666667 0.81083361101869 87.620 > 13 25 Sr 0.09304574901256 0.08333333333333 0.18916638898131 87.620 > 25 26 Sr 0.59304574901256 0.08333333333333 0.18916638898131 87.620 > 25 27 Sr 0.09304574901256 0.41666666666667 0.18916638898131 87.620 > 25 28 Sr 0.59304574901256 0.41666666666667 0.18916638898131 87.620 > 25 29 Sr 0.09304574901256 0.75000000000000 0.18916638898131 87.620 > 25 30 Sr 0.59304574901256 0.75000000000000 0.18916638898131 87.620 > 25 31 Sr 0.09304574901256 0.08333333333333 0.68916638898131 87.620 > 25 32 Sr 0.59304574901256 0.08333333333333 0.68916638898131 87.620 > 25 33 Sr 0.09304574901256 0.41666666666667 0.68916638898131 87.620 > 25 34 Sr 0.59304574901256 0.41666666666667 0.68916638898131 87.620 > 25 35 Sr 0.09304574901256 0.75000000000000 0.68916638898131 87.620 > 25 36 Sr 0.59304574901256 0.75000000000000 0.68916638898131 87.620 > 25 37 Sr 0.39888065827502 0.25000000000000 0.01716911422324 87.620 > 37 38 Sr 0.89888065827502 0.25000000000000 0.01716911422324 87.620 > 37 39 Sr 0.39888065827502 0.58333333333333 0.01716911422324 87.620 > 37 40 Sr 0.89888065827502 0.58333333333333 0.01716911422324 87.620 > 37 41 Sr 0.39888065827502 0.91666666666667 0.01716911422324 87.620 > 37 42 Sr 0.89888065827502 0.91666666666667 0.01716911422324 87.620 > 37 43 Sr 0.39888065827502 0.25000000000000 0.51716911422324 87.620 > 37 44 Sr 0.89888065827502 0.25000000000000 0.51716911422324 87.620 > 37 45 Sr 0.39888065827502 0.58333333333333 0.51716911422324 87.620 > 37 46 Sr 0.89888065827502 0.58333333333333 0.51716911422324 87.620 > 37 47 Sr 0.39888065827502 0.91666666666667 0.51716911422324 87.620 > 37 48 Sr 0.89888065827502 0.91666666666667 0.51716911422324 87.620 > 37 49 Ga 0.26792839574150 0.08333333333333 0.37604753688468 69.723 > 49 50 Ga 0.76792839574150 0.08333333333333 0.37604753688468 69.723 > 49 51 Ga 0.26792839574150 0.41666666666667 0.37604753688468 69.723 > 49 52 Ga 0.76792839574150 0.41666666666667 0.37604753688468 69.723 > 49 53 Ga 0.26792839574150 0.75000000000000 0.37604753688468 69.723 > 49 54 Ga 0.76792839574150 0.75000000000000 0.37604753688468 69.723 > 49 55 Ga 0.26792839574150 0.08333333333333 0.87604753688468 69.723 > 49 56 Ga 0.76792839574150 0.08333333333333 0.87604753688468 69.723 > 49 57 Ga 0.26792839574150 0.41666666666667 0.87604753688468 69.723 > 49 58 Ga 0.76792839574150 0.41666666666667 0.87604753688468 69.723 > 49 59 Ga 0.26792839574150 0.75000000000000 0.87604753688468 69.723 > 49 60 Ga 0.76792839574150 0.75000000000000 0.87604753688468 69.723 > 49 61 Ga 0.23207160425850 0.25000000000000 0.12395246311532 69.723 > 61 62 Ga 0.73207160425850 0.25000000000000 0.12395246311532 69.723 > 61 63 Ga 0.23207160425850 0.58333333333333 0.12395246311532 69.723 > 61 64 Ga 0.73207160425850 0.58333333333333 0.12395246311532 69.723 > 61 65 Ga 0.23207160425850 0.91666666666667 0.12395246311532 69.723 > 61 66 Ga 0.73207160425850 0.91666666666667 0.12395246311532 69.723 > 61 67 Ga 0.23207160425850 0.25000000000000 0.62395246311532 69.723 > 61 68 Ga 0.73207160425850 0.25000000000000 0.62395246311532 69.723 > 61 69 Ga 0.23207160425850 0.58333333333333 0.62395246311532 69.723 > 61 70 Ga 0.73207160425850 0.58333333333333 0.62395246311532 69.723 > 61 71 Ga 0.23207160425850 0.91666666666667 0.62395246311532 69.723 > 61 72 Ga 0.73207160425850 0.91666666666667 0.62395246311532 69.723 > 61 73 Ge 0.16201566262565 0.25000000000000 0.34997976037201 72.640 > 73 74 Ge 0.66201566262565 0.25000000000000 0.34997976037201 72.640 > 73 75 Ge 0.16201566262565 0.58333333333333 0.34997976037201 72.640 > 73 76 Ge 0.66201566262565 0.58333333333333 0.34997976037201 72.640 > 73 77 Ge 0.16201566262565 0.91666666666667 0.34997976037201 72.640 > 73 78 Ge 0.66201566262565 0.91666666666667 0.34997976037201 72.640 > 73 79 Ge 0.16201566262565 0.25000000000000 0.84997976037201 72.640 > 73 80 Ge 0.66201566262565 0.25000000000000 0.84997976037201 72.640 > 73 81 Ge 0.16201566262565 0.58333333333333 0.84997976037201 72.640 > 73 82 Ge 0.66201566262565 0.58333333333333 0.84997976037201 72.640 > 73 83 Ge 0.16201566262565 0.91666666666667 0.84997976037201 72.640 > 73 84 Ge 0.66201566262565 0.91666666666667 0.84997976037201 72.640 > 73 85 Ge 0.33798433737435 0.08333333333333 0.15002023962799 72.640 > 85 86 Ge 0.83798433737435 0.08333333333333 0.15002023962799 72.640 > 85 87 Ge 0.33798433737435 0.41666666666667 0.15002023962799 72.640 > 85 88 Ge 0.83798433737435 0.41666666666667 0.15002023962799 72.640 > 85 89 Ge 0.33798433737435 0.75000000000000 0.15002023962799 72.640 > 85 90 Ge 0.83798433737435 0.75000000000000 0.15002023962799 72.640 > 85 91 Ge 0.33798433737435 0.08333333333333 0.65002023962799 72.640 > 85 92 Ge 0.83798433737435 0.08333333333333 0.65002023962799 72.640 > 85 93 Ge 0.33798433737435 0.41666666666667 0.65002023962799 72.640 > 85 94 Ge 0.83798433737435 0.41666666666667 0.65002023962799 72.640 > 85 95 Ge 0.33798433737435 0.75000000000000 0.65002023962799 72.640 > 85 96 Ge 0.83798433737435 0.75000000000000 0.65002023962799 72.640 > 85 97 N 0.41232997984426 0.08333333333333 0.41470956196391 14.007 > 97 98 N 0.91232997984426 0.08333333333333 0.41470956196391 14.007 > 97 99 N 0.41232997984426 0.41666666666667 0.41470956196391 14.007 > 97 100 N 0.91232997984426 0.41666666666667 0.41470956196391 14.007 > 97 101 N 0.41232997984426 0.75000000000000 0.41470956196391 14.007 > 97 102 N 0.91232997984426 0.75000000000000 0.41470956196391 14.007 > 97 103 N 0.41232997984426 0.08333333333333 0.91470956196391 14.007 > 97 104 N 0.91232997984426 0.08333333333333 0.91470956196391 14.007 > 97 105 N 0.41232997984426 0.41666666666667 0.91470956196391 14.007 > 97 106 N 0.91232997984426 0.41666666666667 0.91470956196391 14.007 > 97 107 N 0.41232997984426 0.75000000000000 0.91470956196391 14.007 > 97 108 N 0.91232997984426 0.75000000000000 0.91470956196391 14.007 > 97 109 N 0.08767002015574 0.25000000000000 0.08529043803609 14.007 > 109 110 N 0.58767002015574 0.25000000000000 0.08529043803609 14.007 > 109 111 N 0.08767002015574 0.58333333333333 0.08529043803609 14.007 > 109 112 N 0.58767002015574 0.58333333333333 0.08529043803609 14.007 > 109 113 N 0.08767002015574 0.91666666666667 0.08529043803609 14.007 > 109 114 N 0.58767002015574 0.91666666666667 0.08529043803609 14.007 > 109 115 N 0.08767002015574 0.25000000000000 0.58529043803609 14.007 > 109 116 N 0.58767002015574 0.25000000000000 0.58529043803609 14.007 > 109 117 N 0.08767002015574 0.58333333333333 0.58529043803609 14.007 > 109 118 N 0.58767002015574 0.58333333333333 0.58529043803609 14.007 > 109 119 N 0.08767002015574 0.91666666666667 0.58529043803609 14.007 > 109 120 N 0.58767002015574 0.91666666666667 0.58529043803609 14.007 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 10.3383622 0.0000000 -0.0136851 0.0000000 38.1321669 0.0000000 -0.0131710 0.0000000 11.6931456 -------------------------- Born effective charges -------------------------- 1 Sr 2.7275135 0.0000000 0.1991263 0.0000000 3.0704368 0.0000000 0.2202118 0.0000000 2.9711953 2 Sr 2.4323872 0.0000000 -0.0514017 0.0000000 2.9298443 0.0000000 -0.1479278 0.0000000 2.4183607 3 Sr 2.4323872 0.0000000 -0.0514017 0.0000000 2.9298443 0.0000000 -0.1479278 0.0000000 2.4183607 4 Sr 2.7275135 0.0000000 0.1991263 0.0000000 3.0704368 0.0000000 0.2202118 0.0000000 2.9711953 5 Ga 1.2891980 0.0000000 0.2896672 0.0000000 3.6616320 0.0000000 0.2864803 0.0000000 0.7768186 6 Ga 1.2891980 0.0000000 0.2896672 0.0000000 3.6616320 0.0000000 0.2864803 0.0000000 0.7768186 7 Ge -1.9614558 0.0000000 0.1801854 0.0000000 -6.7028384 0.0000000 0.2622246 0.0000000 -2.6335186 8 Ge -1.9614558 0.0000000 0.1801854 0.0000000 -6.7028384 0.0000000 0.2622246 0.0000000 -2.6335186 9 N -4.4876429 0.0000000 -0.6175773 0.0000000 -2.9590746 0.0000000 -0.6209891 0.0000000 -3.5328559 10 N -4.4876429 0.0000000 -0.6175773 0.0000000 -2.9590746 0.0000000 -0.6209891 0.0000000 -3.5328559 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (xxx) 0.00000001 (xxx) 0.00000001 (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 ... [ 8 12 6 ] 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: 0.68, Number of G-points: 307, Lambda: 0.32 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/182) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.896 ( 0.000 0.000 0.000) 0.000 2.280 ( 0.000 0.000 0.000) 0.000 2.623 ( 0.000 0.000 0.000) 0.000 2.673 ( 0.000 0.000 0.000) 0.000 2.822 ( 0.000 0.000 0.000) 0.000 2.828 ( 0.000 0.000 0.000) 0.000 3.155 ( 0.000 0.000 0.000) 0.000 3.247 ( 0.000 0.000 0.000) 0.000 3.426 ( 0.000 0.000 0.000) 0.000 3.446 ( 0.000 0.000 0.000) 0.000 3.607 ( 0.000 0.000 0.000) 0.000 3.864 ( 0.000 0.000 0.000) 0.000 4.110 ( 0.000 0.000 0.000) 0.000 4.216 ( 0.000 0.000 0.000) 0.000 4.307 ( 0.000 0.000 0.000) 0.000 4.666 ( 0.000 0.000 0.000) 0.000 5.227 ( 0.000 0.000 0.000) 0.000 6.925 ( 0.000 0.000 0.000) 0.000 7.011 ( 0.000 0.000 0.000) 0.000 7.052 ( 0.000 0.000 0.000) 0.000 7.139 ( 0.000 0.000 0.000) 0.000 7.420 ( 0.000 0.000 0.000) 0.000 7.740 ( 0.000 0.000 0.000) 0.000 8.142 ( 0.000 0.000 0.000) 0.000 8.395 ( 0.000 0.000 0.000) 0.000 16.353 ( 0.000 0.000 0.000) 0.000 18.577 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/182) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.534 ( 24.299 0.000 12.166) 27.175 0.540 ( 25.329 0.000 11.590) 27.855 0.890 ( 41.194 0.000 19.046) 45.384 1.973 ( 6.855 0.000 2.990) 7.479 2.241 ( -2.549 0.000 -5.268) 5.852 2.547 ( -5.689 0.000 -4.956) 7.546 2.688 ( -0.198 0.000 -10.313) 10.315 2.813 ( -0.645 0.000 1.103) 1.278 2.843 ( 0.017 0.000 2.880) 2.880 3.138 ( 0.846 0.000 -5.949) 6.009 3.262 ( -3.154 0.000 9.585) 10.091 3.290 ( -6.230 0.000 -4.050) 7.430 3.580 ( -1.585 0.000 -3.435) 3.783 3.583 ( 6.610 0.000 2.875) 7.209 3.873 ( 1.840 0.000 -2.295) 2.941 4.148 ( 3.407 0.000 -1.389) 3.679 4.301 ( -1.048 0.000 2.432) 2.649 4.688 ( 2.945 0.000 0.641) 3.014 4.876 ( -7.988 0.000 -7.109) 10.693 5.219 ( -1.323 0.000 0.676) 1.486 6.931 ( 0.544 0.000 0.337) 0.640 7.005 ( -2.267 0.000 -2.374) 3.283 7.015 ( 0.250 0.000 0.502) 0.561 7.262 ( 5.561 0.000 -5.910) 8.115 7.447 ( 2.385 0.000 1.265) 2.700 7.739 ( 0.074 0.000 -0.512) 0.517 8.123 ( -6.299 0.000 10.426) 12.181 8.435 ( 3.012 0.000 3.358) 4.511 18.099 ( -2.736 0.000 4.556) 5.314 18.632 ( 5.214 0.000 0.838) 5.281 ======================= Grid point 2 (3/182) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.016 ( 20.718 0.000 10.701) 23.319 1.053 ( 23.724 0.000 9.551) 25.574 1.695 ( 33.186 0.000 17.859) 37.686 2.127 ( -5.336 0.000 -8.284) 9.854 2.142 ( 6.995 0.000 6.558) 9.588 2.388 ( -8.016 0.000 -3.358) 8.691 2.581 ( -2.443 0.000 -11.975) 12.221 2.817 ( -0.369 0.000 3.243) 3.264 2.861 ( -0.000 0.000 2.997) 2.997 3.142 ( 3.610 0.000 -5.873) 6.894 3.165 ( -4.591 0.000 -4.473) 6.409 3.278 ( -0.478 0.000 7.283) 7.298 3.520 ( -1.761 0.000 -5.364) 5.646 3.705 ( 4.905 0.000 2.002) 5.298 3.908 ( 3.262 0.000 -1.691) 3.674 4.172 ( 0.211 0.000 -2.632) 2.641 4.308 ( 0.415 0.000 1.207) 1.276 4.567 ( -16.803 0.000 -6.662) 18.075 4.799 ( 4.176 0.000 1.410) 4.408 5.181 ( -3.478 0.000 0.726) 3.553 6.947 ( 0.866 0.000 0.474) 0.987 6.979 ( 0.731 0.000 -0.770) 1.061 7.025 ( 0.348 0.000 0.763) 0.839 7.303 ( 1.382 0.000 -2.707) 3.040 7.513 ( 3.487 0.000 1.955) 3.997 7.735 ( -0.117 0.000 -0.952) 0.959 8.055 ( -5.843 0.000 4.533) 7.395 8.530 ( 4.302 0.000 4.236) 6.038 18.082 ( -0.563 0.000 0.257) 0.619 18.751 ( 6.577 0.000 0.919) 6.641 ======================= Grid point 3 (4/182) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.411 ( 15.953 0.000 9.189) 18.410 1.509 ( 20.696 0.000 6.727) 21.762 1.952 ( -8.063 0.000 -8.771) 11.914 2.074 ( -2.546 0.000 7.562) 7.979 2.185 ( -11.405 0.000 -0.577) 11.419 2.419 ( 17.135 0.000 1.734) 17.222 2.579 ( 9.617 0.000 -1.469) 9.728 2.834 ( -0.067 0.000 3.040) 3.041 2.879 ( 0.124 0.000 2.316) 2.319 3.073 ( -2.562 0.000 -3.884) 4.653 3.190 ( 4.263 0.000 -2.320) 4.853 3.319 ( 1.565 0.000 -2.408) 2.872 3.488 ( 2.273 0.000 1.793) 2.895 3.782 ( 2.551 0.000 1.010) 2.743 3.961 ( 2.622 0.000 -0.482) 2.666 4.118 ( -9.613 0.000 -4.828) 10.757 4.183 ( -13.046 0.000 -5.504) 14.160 4.317 ( 0.079 0.000 -0.193) 0.208 4.897 ( 5.026 0.000 1.849) 5.355 5.103 ( -5.313 0.000 0.401) 5.329 6.964 ( 0.673 0.000 0.326) 0.748 7.019 ( 3.040 0.000 1.068) 3.222 7.035 ( 0.238 0.000 0.581) 0.627 7.279 ( -1.959 0.000 -2.312) 3.031 7.585 ( 2.861 0.000 1.785) 3.373 7.722 ( -0.545 0.000 -1.117) 1.243 7.981 ( -3.889 0.000 1.923) 4.339 8.622 ( 3.043 0.000 2.673) 4.050 18.081 ( 0.379 0.000 -0.417) 0.563 18.860 ( 4.353 0.000 0.580) 4.392 ======================= Grid point 4 (5/182) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.681 ( -0.000 0.000 -0.000) 0.000 1.756 ( 0.000 0.000 0.000) 0.000 1.837 ( -0.000 0.000 -0.000) 0.000 1.950 ( 0.001 0.000 0.000) 0.001 2.048 ( 0.001 0.000 0.000) 0.001 2.550 ( 0.000 0.000 -0.000) 0.000 2.752 ( 0.001 0.000 -0.000) 0.001 2.844 ( 0.000 0.000 0.000) 0.000 2.889 ( 0.000 0.000 -0.000) 0.000 3.035 ( 0.000 0.000 0.000) 0.000 3.258 ( -0.000 0.000 -0.000) 0.000 3.278 ( 0.001 0.000 0.001) 0.001 3.700 ( -0.003 0.000 -0.002) 0.003 3.723 ( 0.004 0.000 0.002) 0.004 3.809 ( 0.000 0.000 0.000) 0.000 4.007 ( 0.000 0.000 -0.000) 0.000 4.122 ( 0.000 0.000 0.000) 0.000 4.316 ( 0.000 0.000 0.000) 0.000 4.994 ( -0.001 0.000 -0.000) 0.001 5.008 ( 0.001 0.000 0.000) 0.001 6.972 ( 0.000 0.000 0.000) 0.000 7.039 ( 0.000 0.000 0.000) 0.000 7.065 ( 0.000 0.000 -0.000) 0.000 7.240 ( 0.000 0.000 0.000) 0.000 7.622 ( 0.000 0.000 0.000) 0.000 7.710 ( -0.000 0.000 -0.000) 0.000 7.950 ( 0.000 0.000 0.000) 0.000 8.659 ( 0.000 0.000 -0.000) 0.000 18.084 ( 0.001 0.000 0.000) 0.001 18.903 ( 0.001 0.000 0.000) 0.001 ======================= Grid point 9 (6/182) ======================= q-point: ( 0.00 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.449 ( 0.000 24.398 0.000) 24.398 0.519 ( 0.000 25.312 0.000) 25.312 1.036 ( 0.000 48.851 0.000) 48.851 1.900 ( 0.000 0.696 0.000) 0.696 2.395 ( 0.000 9.335 0.000) 9.335 2.602 ( 0.000 -1.569 0.000) 1.569 2.646 ( 0.000 -0.378 0.000) 0.378 2.888 ( 0.000 5.163 0.000) 5.163 2.959 ( 0.000 9.661 0.000) 9.661 3.148 ( 0.000 -0.081 0.000) 0.081 3.240 ( 0.000 -0.134 0.000) 0.134 3.485 ( 0.000 3.603 0.000) 3.603 3.588 ( 0.000 -1.704 0.000) 1.704 3.740 ( 0.000 -2.280 0.000) 2.280 3.872 ( 0.000 0.816 0.000) 0.816 4.098 ( 0.000 -0.969 0.000) 0.969 4.251 ( 0.000 3.471 0.000) 3.471 4.308 ( 0.000 0.535 0.000) 0.535 4.627 ( 0.000 -2.983 0.000) 2.983 5.180 ( 0.000 -4.224 0.000) 4.224 6.983 ( 0.000 2.901 0.000) 2.901 6.988 ( 0.000 -5.375 0.000) 5.375 7.081 ( 0.000 -2.055 0.000) 2.055 7.128 ( 0.000 5.886 0.000) 5.886 7.673 ( 0.000 -6.857 0.000) 6.857 8.264 ( 0.000 11.053 0.000) 11.053 8.271 ( 0.000 -10.782 0.000) 10.782 8.466 ( 0.000 16.054 0.000) 16.054 16.458 ( 0.000 10.274 0.000) 10.274 18.475 ( 0.000 -8.785 0.000) 8.785 ======================= Grid point 10 (7/182) ======================= q-point: ( 0.12 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.740 ( 18.394 16.813 7.013) 25.888 0.766 ( 21.608 13.763 10.484) 27.680 1.306 ( 22.739 36.851 11.141) 44.712 1.973 ( 6.754 0.307 2.158) 7.098 2.390 ( -0.334 9.247 -4.092) 10.117 2.525 ( -4.251 -0.307 -5.576) 7.018 2.647 ( -2.249 -1.130 -0.420) 2.552 2.881 ( -0.444 4.883 -0.208) 4.907 2.970 ( -0.481 10.658 3.666) 11.281 3.113 ( 0.549 -1.171 -8.720) 8.816 3.248 ( -1.750 -0.359 7.876) 8.076 3.396 ( -7.246 3.899 -4.109) 9.197 3.563 ( -1.995 -1.402 -1.692) 2.968 3.695 ( -0.923 4.235 -0.740) 4.397 3.878 ( 1.772 0.519 -2.899) 3.437 4.121 ( 2.387 -1.652 -1.945) 3.495 4.286 ( -2.658 -1.167 1.729) 3.379 4.351 ( 5.366 -7.414 0.978) 9.204 4.655 ( 2.587 -2.675 1.318) 3.948 5.163 ( -2.091 -4.650 0.510) 5.124 6.931 ( -4.010 -5.270 -1.937) 6.899 6.986 ( -0.106 -0.989 -0.286) 1.035 7.076 ( 0.052 4.136 1.822) 4.519 7.182 ( 3.038 2.967 2.072) 4.725 7.686 ( 2.646 -6.315 -4.484) 8.185 8.203 ( -2.916 14.282 -11.931) 18.837 8.302 ( 0.429 -5.314 0.491) 5.354 8.357 ( -9.157 19.487 12.477) 24.885 16.835 ( 28.801 -18.010 11.685) 35.922 18.496 ( 2.518 -9.473 -0.517) 9.816 ======================= Grid point 11 (8/182) ======================= q-point: ( 0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.156 ( 20.641 9.911 8.938) 24.580 1.220 ( 20.704 12.483 8.681) 25.687 1.846 ( 23.364 17.085 14.151) 32.219 2.133 ( 7.122 0.191 4.345) 8.344 2.315 ( -3.557 9.958 -5.856) 12.088 2.406 ( -4.952 4.171 -4.687) 7.993 2.550 ( -3.827 -1.598 -8.157) 9.151 2.877 ( -0.165 4.703 1.121) 4.837 2.974 ( -1.266 9.444 3.062) 10.009 3.100 ( 2.732 -1.403 -6.095) 6.825 3.239 ( -4.265 2.558 -2.011) 5.364 3.292 ( -0.038 2.347 5.148) 5.658 3.505 ( -2.216 -1.277 -3.698) 4.496 3.712 ( 1.826 1.144 0.753) 2.283 3.906 ( 2.925 -0.128 -1.911) 3.496 4.121 ( -1.195 -5.668 -4.145) 7.123 4.234 ( -4.314 -4.379 1.836) 6.415 4.361 ( -3.009 -4.553 -3.658) 6.569 4.739 ( 4.927 -2.653 2.806) 6.260 5.110 ( -4.060 -5.519 0.721) 6.890 6.860 ( -2.241 -6.198 -0.454) 6.607 6.974 ( -0.664 -5.849 -0.434) 5.903 7.110 ( 1.935 8.931 1.699) 9.295 7.232 ( 1.191 2.447 1.241) 2.991 7.708 ( 3.030 -5.393 -5.555) 8.314 8.044 ( -5.320 20.346 -9.536) 23.091 8.217 ( -7.627 19.495 7.418) 22.209 8.429 ( 4.435 -6.528 6.609) 10.294 17.373 ( 20.582 -32.450 8.049) 39.261 18.561 ( 4.615 -12.346 -0.132) 13.181 ======================= Grid point 12 (9/182) ======================= q-point: ( 0.38 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.568 ( 18.709 6.375 7.395) 21.104 1.609 ( 16.588 13.585 7.196) 22.616 2.044 ( -3.689 1.062 2.233) 4.441 2.170 ( -7.801 11.736 -7.317) 15.878 2.214 ( -10.726 3.651 2.079) 11.520 2.427 ( 11.490 2.612 -1.270) 11.852 2.578 ( 12.053 1.686 1.264) 12.236 2.886 ( 0.023 4.410 1.873) 4.792 2.968 ( -0.719 6.936 1.460) 7.125 3.107 ( 0.232 1.912 -3.001) 3.566 3.192 ( 1.339 0.882 -1.350) 2.096 3.335 ( 1.316 1.540 -3.022) 3.638 3.471 ( 1.348 -0.988 2.210) 2.770 3.736 ( -0.709 -4.513 0.003) 4.569 3.955 ( 2.722 -0.464 -0.203) 2.769 4.001 ( -8.733 -7.271 -2.952) 11.741 4.166 ( -2.956 -0.679 -0.210) 3.040 4.267 ( -2.964 0.471 -4.291) 5.236 4.845 ( 4.774 -3.519 1.685) 6.165 5.029 ( -5.054 -5.645 0.738) 7.613 6.851 ( 0.690 -8.911 1.015) 8.995 6.959 ( -0.686 -7.925 -0.687) 7.985 7.151 ( 1.465 11.570 0.825) 11.692 7.243 ( -0.221 3.113 0.314) 3.137 7.727 ( 2.160 -4.504 -3.837) 6.299 7.922 ( -3.728 15.007 -3.190) 15.788 8.136 ( -4.526 20.007 3.415) 20.795 8.540 ( 3.555 -5.721 3.792) 7.729 17.666 ( 8.649 -26.986 3.059) 28.503 18.644 ( 3.858 -15.959 0.309) 16.422 ======================= Grid point 13 (10/182) ======================= q-point: (-0.50 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.865 ( -0.000 14.294 0.000) 14.294 1.874 ( -0.000 3.807 -0.001) 3.807 1.973 ( 0.000 15.735 0.000) 15.735 1.977 ( 0.000 1.673 -0.000) 1.673 2.037 ( 0.001 0.363 0.000) 0.363 2.524 ( 0.000 -1.203 -0.000) 1.203 2.748 ( 0.001 1.130 0.000) 1.130 2.894 ( 0.000 4.520 -0.000) 4.520 2.969 ( 0.000 6.189 -0.000) 6.189 3.092 ( 0.000 4.552 0.000) 4.552 3.237 ( -0.000 -1.497 -0.000) 1.497 3.294 ( 0.000 1.124 0.000) 1.124 3.609 ( -0.003 -2.109 -0.001) 2.109 3.621 ( 0.003 -8.973 0.001) 8.973 3.892 ( 0.000 1.853 -0.000) 1.853 3.990 ( 0.000 -0.900 -0.000) 0.900 4.135 ( 0.000 1.959 0.000) 1.959 4.225 ( 0.000 -2.606 0.000) 2.606 4.918 ( -0.000 -6.129 -0.000) 6.129 4.958 ( 0.000 -3.344 0.000) 3.344 6.870 ( 0.000 -11.110 0.000) 11.110 6.946 ( 0.000 -8.040 -0.000) 8.040 7.167 ( 0.000 12.680 -0.000) 12.680 7.240 ( 0.000 3.966 -0.000) 3.966 7.737 ( 0.000 -3.929 0.000) 3.929 7.877 ( 0.000 11.411 -0.000) 11.411 8.104 ( 0.000 20.392 0.000) 20.392 8.586 ( 0.000 -5.189 -0.000) 5.189 17.751 ( 0.001 -23.622 0.000) 23.622 18.683 ( 0.001 -17.344 0.000) 17.344 ======================= Grid point 18 (11/182) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.999 ( 0.000 27.608 0.000) 27.608 1.051 ( 0.000 27.118 0.000) 27.118 1.941 ( 0.000 4.166 0.000) 4.166 1.984 ( 0.000 41.705 0.000) 41.705 2.564 ( 0.000 4.321 0.000) 4.321 2.580 ( 0.000 -0.086 0.000) 0.086 2.689 ( 0.000 5.217 0.000) 5.217 3.018 ( 0.000 6.912 0.000) 6.912 3.108 ( 0.000 4.155 0.000) 4.155 3.183 ( 0.000 4.083 0.000) 4.083 3.278 ( 0.000 3.740 0.000) 3.740 3.542 ( 0.000 -2.733 0.000) 2.733 3.584 ( 0.000 5.491 0.000) 5.491 3.640 ( 0.000 -6.967 0.000) 6.967 3.900 ( 0.000 1.901 0.000) 1.901 4.082 ( 0.000 -0.284 0.000) 0.284 4.330 ( 0.000 1.086 0.000) 1.086 4.360 ( 0.000 6.414 0.000) 6.414 4.593 ( 0.000 1.171 0.000) 1.171 5.069 ( 0.000 -6.284 0.000) 6.284 6.870 ( 0.000 -5.249 0.000) 5.249 6.927 ( 0.000 -4.175 0.000) 4.175 7.179 ( 0.000 6.833 0.000) 6.833 7.231 ( 0.000 3.164 0.000) 3.164 7.493 ( 0.000 -9.186 0.000) 9.186 8.025 ( 0.000 -11.402 0.000) 11.402 8.546 ( 0.000 15.509 0.000) 15.509 8.915 ( 0.000 25.919 0.000) 25.919 16.776 ( 0.000 20.242 0.000) 20.242 18.282 ( 0.000 -8.384 0.000) 8.384 ======================= Grid point 19 (12/182) ======================= q-point: ( 0.12 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.129 ( 12.671 22.061 2.325) 25.547 1.163 ( 9.448 22.715 7.108) 25.608 1.991 ( 4.393 4.017 0.536) 5.977 2.117 ( 12.239 35.524 4.540) 37.847 2.498 ( -3.481 2.092 -4.426) 6.006 2.604 ( 0.510 4.473 -0.631) 4.545 2.667 ( -2.562 5.227 -0.887) 5.888 2.991 ( -0.816 5.109 -2.315) 5.668 3.103 ( -0.711 0.708 -8.390) 8.450 3.182 ( 0.693 8.727 4.961) 10.063 3.273 ( -1.753 3.117 4.654) 5.870 3.440 ( -7.389 -0.438 -3.462) 8.172 3.531 ( -2.299 -1.583 -0.246) 2.802 3.720 ( 2.700 0.072 3.137) 4.140 3.900 ( 0.871 1.813 -2.238) 3.009 4.126 ( 2.701 1.628 -0.734) 3.238 4.275 ( -4.009 0.810 -0.397) 4.109 4.370 ( 0.356 4.809 -0.143) 4.824 4.617 ( 2.480 0.046 0.421) 2.516 5.049 ( -2.246 -5.959 0.135) 6.370 6.820 ( -3.505 -4.520 -1.718) 5.972 6.904 ( -2.522 -4.358 -0.571) 5.067 7.207 ( 2.377 6.313 1.441) 6.898 7.262 ( 1.370 2.796 4.036) 5.098 7.514 ( 3.929 -8.615 -5.965) 11.191 8.058 ( 2.693 -12.052 1.350) 12.422 8.505 ( -3.585 15.828 -0.942) 16.257 8.874 ( -4.837 26.430 1.818) 26.931 16.884 ( 9.699 14.566 3.981) 17.946 18.289 ( 1.008 -8.941 -0.519) 9.012 ======================= Grid point 20 (13/182) ======================= q-point: ( 0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 292 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.426 ( 15.905 15.569 4.783) 22.765 1.461 ( 17.209 13.337 8.761) 23.468 2.073 ( 2.339 1.236 1.007) 2.831 2.383 ( 7.280 18.259 2.433) 19.807 2.421 ( 1.238 5.778 -1.860) 6.195 2.541 ( -6.574 2.454 -2.629) 7.493 2.621 ( 2.087 13.877 -4.158) 14.636 2.975 ( 0.178 3.978 -1.347) 4.203 3.059 ( 1.122 0.479 -3.765) 3.958 3.183 ( -1.867 7.082 -0.201) 7.327 3.279 ( -2.787 2.212 -1.250) 3.771 3.338 ( -0.609 1.690 4.760) 5.088 3.479 ( -3.058 -0.748 -0.235) 3.157 3.764 ( 0.926 2.741 1.211) 3.137 3.912 ( 1.448 1.311 0.142) 1.958 4.082 ( -5.525 4.068 -4.211) 8.050 4.219 ( -1.954 1.116 -0.486) 2.302 4.381 ( 0.805 4.391 -1.126) 4.604 4.687 ( 4.322 -2.215 1.537) 5.094 4.991 ( -4.127 -5.288 0.152) 6.709 6.753 ( -2.686 -3.933 -0.865) 4.841 6.846 ( -2.803 -5.092 -0.864) 5.877 7.272 ( 3.365 5.870 1.982) 7.050 7.304 ( 0.565 2.459 2.887) 3.834 7.553 ( 4.249 -7.163 -5.980) 10.253 8.095 ( 0.125 -11.305 -2.772) 11.641 8.450 ( -1.311 14.879 2.623) 15.165 8.777 ( -6.837 25.746 2.432) 26.750 17.124 ( 12.138 3.861 4.956) 13.668 18.310 ( 1.556 -10.526 -0.654) 10.661 ======================= Grid point 21 (14/182) ======================= q-point: ( 0.38 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.745 ( 15.186 10.762 5.295) 19.352 1.834 ( 17.170 8.234 7.259) 20.379 2.051 ( -3.378 1.618 -0.519) 3.782 2.309 ( -10.735 5.964 0.881) 12.312 2.400 ( -6.311 8.078 -6.035) 11.895 2.478 ( 4.843 1.003 -5.524) 7.414 2.746 ( 6.507 11.226 2.517) 13.218 2.983 ( 1.463 4.171 -0.414) 4.439 3.086 ( 0.622 5.003 3.621) 6.207 3.161 ( 1.424 4.431 -2.069) 5.093 3.223 ( -0.909 1.050 -0.955) 1.685 3.357 ( -0.310 1.140 -3.935) 4.109 3.439 ( -1.541 -0.363 3.585) 3.919 3.776 ( -0.246 8.289 0.043) 8.293 3.932 ( -5.834 1.575 0.337) 6.052 3.960 ( 1.457 1.129 -0.778) 2.001 4.194 ( -0.187 3.073 -0.162) 3.083 4.362 ( -1.501 7.658 -3.081) 8.390 4.773 ( 3.808 -3.503 0.643) 5.214 4.911 ( -4.354 -4.970 0.675) 6.642 6.718 ( -0.935 -4.080 0.034) 4.186 6.801 ( -1.515 -6.120 -0.641) 6.337 7.318 ( 0.233 2.422 0.160) 2.439 7.341 ( 2.347 5.887 2.039) 6.658 7.593 ( 2.817 -5.570 -2.730) 6.813 8.025 ( -3.772 -5.966 -4.090) 8.158 8.498 ( 3.289 11.627 3.426) 12.559 8.670 ( -5.962 21.443 1.542) 22.310 17.338 ( 7.668 -3.496 3.108) 8.982 18.333 ( 1.204 -12.527 -0.398) 12.591 ======================= Grid point 22 (15/182) ======================= q-point: (-0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.987 ( 0.001 1.256 0.000) 1.256 1.990 ( -0.001 7.345 -0.000) 7.345 2.103 ( -0.000 6.105 -0.000) 6.105 2.158 ( 0.000 11.792 -0.000) 11.792 2.218 ( 0.001 7.579 0.001) 7.579 2.524 ( 0.000 -0.345 0.000) 0.345 2.801 ( 0.001 2.712 0.000) 2.712 3.003 ( 0.000 4.100 -0.000) 4.100 3.095 ( 0.000 5.671 -0.000) 5.671 3.183 ( 0.000 2.604 0.000) 2.604 3.249 ( -0.000 3.656 -0.000) 3.656 3.304 ( 0.000 1.107 0.000) 1.107 3.446 ( 0.000 -2.077 -0.000) 2.077 3.757 ( 0.000 15.443 0.000) 15.443 3.872 ( 0.000 -2.263 0.000) 2.263 3.986 ( 0.000 0.417 -0.000) 0.417 4.204 ( 0.000 4.266 0.000) 4.266 4.322 ( 0.000 9.820 0.000) 9.820 4.815 ( -0.000 -3.330 0.000) 3.330 4.866 ( 0.000 -5.362 -0.000) 5.362 6.711 ( 0.000 -4.443 0.000) 4.443 6.785 ( 0.000 -6.482 -0.000) 6.482 7.320 ( 0.000 2.508 0.000) 2.508 7.370 ( 0.000 5.942 -0.000) 5.942 7.613 ( 0.000 -4.793 0.000) 4.793 7.969 ( 0.000 -4.443 -0.000) 4.443 8.573 ( 0.000 22.767 0.000) 22.767 8.589 ( -0.000 7.504 -0.000) 7.504 17.419 ( 0.001 -5.746 0.000) 5.746 18.344 ( 0.001 -13.504 0.000) 13.504 ======================= Grid point 27 (16/182) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( 0.000 23.905 0.000) 23.905 1.665 ( 0.000 31.089 0.000) 31.089 2.048 ( 0.000 6.484 0.000) 6.484 2.565 ( 0.000 -2.669 0.000) 2.669 2.609 ( 0.000 3.168 0.000) 3.168 2.731 ( 0.000 28.388 0.000) 28.388 2.824 ( 0.000 6.422 0.000) 6.422 3.151 ( 0.000 5.896 0.000) 5.896 3.189 ( 0.000 4.413 0.000) 4.413 3.332 ( 0.000 8.705 0.000) 8.705 3.346 ( 0.000 2.515 0.000) 2.515 3.464 ( 0.000 -5.968 0.000) 5.968 3.510 ( 0.000 -1.508 0.000) 1.508 3.675 ( 0.000 2.496 0.000) 2.496 3.954 ( 0.000 3.831 0.000) 3.831 4.100 ( 0.000 2.231 0.000) 2.231 4.325 ( 0.000 -1.986 0.000) 1.986 4.445 ( 0.000 1.377 0.000) 1.377 4.723 ( 0.000 10.135 0.000) 10.135 4.930 ( 0.000 -6.998 0.000) 6.998 6.793 ( 0.000 -2.144 0.000) 2.144 6.864 ( 0.000 -2.001 0.000) 2.001 7.254 ( 0.000 -0.517 0.000) 0.517 7.281 ( 0.000 2.209 0.000) 2.209 7.343 ( 0.000 -4.197 0.000) 4.197 7.837 ( 0.000 -6.820 0.000) 6.820 8.894 ( 0.000 18.253 0.000) 18.253 9.456 ( 0.000 24.720 0.000) 24.720 17.258 ( 0.000 25.356 0.000) 25.356 18.174 ( 0.000 -1.694 0.000) 1.694 ======================= Grid point 28 (17/182) ======================= q-point: ( 0.12 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.595 ( 6.586 22.078 2.338) 23.158 1.688 ( 2.676 27.551 1.666) 27.730 2.072 ( 2.516 4.813 -1.942) 5.767 2.529 ( -0.700 1.628 -2.263) 2.874 2.616 ( -1.766 3.920 1.416) 4.527 2.710 ( -0.247 10.985 -3.367) 11.492 2.886 ( 1.683 14.277 4.013) 14.926 3.077 ( -2.092 3.356 -6.884) 7.939 3.176 ( -1.071 7.777 -3.436) 8.570 3.315 ( -2.355 0.690 1.160) 2.714 3.368 ( 2.599 6.712 3.152) 7.857 3.406 ( -4.809 -1.040 -0.627) 4.960 3.516 ( -0.451 3.735 3.966) 5.466 3.740 ( 3.684 1.320 1.165) 4.083 3.955 ( -0.041 3.490 0.754) 3.571 4.146 ( 4.309 0.527 0.461) 4.365 4.289 ( -2.935 -0.339 0.215) 2.963 4.465 ( 1.256 2.765 -0.586) 3.093 4.691 ( -1.747 6.239 -2.192) 6.840 4.937 ( 0.123 -4.028 0.381) 4.048 6.763 ( -2.532 -1.180 -0.699) 2.880 6.839 ( -2.267 -1.692 -1.141) 3.050 7.256 ( 0.333 -1.736 2.957) 3.446 7.311 ( 1.100 2.377 2.853) 3.873 7.380 ( 5.372 -3.991 -5.226) 8.491 7.852 ( 1.462 -7.703 -0.137) 7.841 8.854 ( -3.749 18.053 -0.317) 18.441 9.408 ( -5.458 23.979 0.918) 24.610 17.293 ( 3.118 23.086 1.512) 23.345 18.172 ( -0.062 -2.120 -0.494) 2.178 ======================= Grid point 29 (18/182) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.774 ( 10.652 17.778 3.239) 20.977 1.804 ( 8.175 19.149 3.898) 21.183 2.098 ( 2.046 1.829 -3.031) 4.089 2.514 ( -1.051 3.973 -0.739) 4.176 2.568 ( -4.011 4.030 0.561) 5.713 2.647 ( -4.625 6.193 -3.543) 8.502 2.880 ( -0.068 5.196 -3.989) 6.551 3.021 ( -0.805 0.336 -4.257) 4.345 3.209 ( 2.486 12.741 4.575) 13.764 3.262 ( -2.530 1.117 -1.290) 3.051 3.319 ( -3.484 2.527 -0.945) 4.406 3.421 ( 0.997 3.299 -0.879) 3.557 3.542 ( 0.124 11.297 6.098) 12.838 3.789 ( 1.472 0.692 0.446) 1.686 3.971 ( 1.056 3.921 1.903) 4.484 4.200 ( -0.381 2.700 -0.510) 2.774 4.251 ( -0.287 2.547 -0.452) 2.602 4.482 ( 1.708 4.692 0.429) 5.012 4.669 ( 1.027 0.582 -1.979) 2.304 4.923 ( -1.886 -0.423 -0.315) 1.958 6.710 ( -2.505 -0.497 -0.760) 2.664 6.781 ( -2.981 -0.856 -0.915) 3.234 7.297 ( 2.809 -1.931 -0.180) 3.413 7.350 ( 0.723 1.239 4.380) 4.609 7.453 ( 5.091 -3.044 -3.410) 6.842 7.869 ( 0.498 -9.303 -2.021) 9.533 8.785 ( -3.004 17.065 0.854) 17.348 9.278 ( -9.026 21.969 0.969) 23.770 17.376 ( 4.344 17.806 2.121) 18.450 18.166 ( -0.088 -3.154 -0.724) 3.238 ======================= Grid point 30 (19/182) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.986 ( 8.160 10.552 3.812) 13.873 2.007 ( 11.261 10.434 1.257) 15.403 2.129 ( 3.399 5.507 1.494) 6.642 2.455 ( -7.743 8.075 0.269) 11.191 2.477 ( -1.519 -0.593 -2.196) 2.735 2.541 ( -4.806 6.485 -4.386) 9.186 2.859 ( -0.449 2.776 -2.635) 3.853 2.991 ( -0.361 -2.985 -1.962) 3.590 3.219 ( -0.514 1.377 -1.707) 2.253 3.229 ( -2.362 5.480 2.475) 6.460 3.316 ( 1.463 7.515 3.045) 8.239 3.405 ( -1.099 2.625 -2.119) 3.547 3.575 ( 0.300 12.768 2.174) 12.955 3.805 ( 0.074 -1.319 -0.342) 1.365 4.002 ( 0.809 3.240 1.442) 3.638 4.157 ( -2.455 10.473 -0.320) 10.762 4.279 ( 3.208 6.649 1.066) 7.459 4.517 ( 0.864 5.977 -0.439) 6.055 4.702 ( 3.484 -2.634 -0.936) 4.467 4.864 ( -4.108 1.181 -0.505) 4.304 6.670 ( -1.342 -0.973 -0.431) 1.713 6.731 ( -1.810 -0.147 -0.409) 1.861 7.340 ( 2.364 0.371 -2.168) 3.229 7.389 ( 0.691 -0.702 3.772) 3.898 7.519 ( 3.231 -2.528 -0.331) 4.116 7.837 ( -1.881 -9.460 -3.149) 10.146 8.779 ( 1.516 14.795 1.722) 14.972 9.112 ( -8.863 19.661 0.256) 21.568 17.458 ( 3.040 12.780 1.498) 13.222 18.161 ( -0.074 -4.190 -0.538) 4.225 ======================= Grid point 31 (20/182) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.052 ( 0.000 4.914 0.000) 4.914 2.160 ( -0.000 8.506 -0.000) 8.506 2.217 ( -0.000 4.862 -0.000) 4.862 2.375 ( 0.000 8.334 -0.000) 8.334 2.412 ( 0.001 12.868 0.001) 12.868 2.468 ( -0.000 -2.959 -0.000) 2.959 2.842 ( 0.001 2.098 0.000) 2.098 2.982 ( 0.000 -4.634 -0.000) 4.634 3.210 ( -0.000 1.381 0.001) 1.381 3.214 ( 0.001 5.937 -0.002) 5.937 3.356 ( -0.000 4.987 -0.000) 4.987 3.371 ( 0.000 4.178 0.000) 4.178 3.583 ( 0.000 11.194 0.000) 11.194 3.797 ( 0.000 -2.626 -0.000) 2.626 4.018 ( 0.000 2.975 -0.000) 2.975 4.129 ( 0.000 12.562 0.000) 12.562 4.334 ( 0.000 10.355 0.000) 10.355 4.511 ( 0.000 6.449 0.000) 6.449 4.762 ( -0.000 -3.032 0.000) 3.032 4.793 ( 0.000 1.413 -0.000) 1.413 6.657 ( 0.000 -1.451 0.000) 1.451 6.713 ( 0.000 0.163 -0.000) 0.163 7.355 ( 0.000 1.859 0.000) 1.859 7.409 ( 0.000 -1.839 0.000) 1.839 7.552 ( 0.000 -2.127 -0.000) 2.127 7.800 ( 0.000 -9.241 0.000) 9.241 8.820 ( 0.000 13.001 -0.000) 13.001 9.010 ( 0.000 19.098 -0.000) 19.098 17.492 ( 0.001 10.765 0.000) 10.765 18.158 ( 0.001 -4.616 0.000) 4.616 ======================= Grid point 36 (21/182) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.992 ( 0.000 21.308 0.000) 21.308 2.186 ( 0.000 6.259 0.000) 6.259 2.277 ( 0.000 26.711 0.000) 26.711 2.495 ( 0.000 -3.323 0.000) 3.323 2.708 ( 0.000 6.222 0.000) 6.222 2.948 ( 0.000 6.303 0.000) 6.303 3.082 ( 0.000 6.044 0.000) 6.044 3.230 ( 0.000 -1.300 0.000) 1.300 3.275 ( 0.000 3.309 0.000) 3.309 3.306 ( 0.000 -7.182 0.000) 7.182 3.391 ( 0.000 1.908 0.000) 1.908 3.428 ( 0.000 7.431 0.000) 7.431 3.691 ( 0.000 0.311 0.000) 0.311 3.753 ( 0.000 17.717 0.000) 17.717 4.055 ( 0.000 5.153 0.000) 5.153 4.168 ( 0.000 3.767 0.000) 3.767 4.243 ( 0.000 -5.583 0.000) 5.583 4.442 ( 0.000 -1.281 0.000) 1.281 4.796 ( 0.000 -5.320 0.000) 5.320 4.912 ( 0.000 6.684 0.000) 6.684 6.774 ( 0.000 0.046 0.000) 0.046 6.837 ( 0.000 -0.837 0.000) 0.837 7.233 ( 0.000 -1.015 0.000) 1.015 7.262 ( 0.000 -1.380 0.000) 1.380 7.346 ( 0.000 2.154 0.000) 2.154 7.729 ( 0.000 -4.157 0.000) 4.157 9.290 ( 0.000 19.806 0.000) 19.806 9.875 ( 0.000 15.045 0.000) 15.045 17.763 ( 0.000 22.350 0.000) 22.350 18.202 ( 0.000 3.756 0.000) 3.756 ======================= Grid point 37 (22/182) ======================= q-point: ( 0.12 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.029 ( 3.639 19.802 0.916) 20.154 2.164 ( -1.171 7.206 -0.433) 7.313 2.251 ( -2.044 21.683 -3.106) 22.000 2.519 ( 1.743 -1.312 2.278) 3.155 2.698 ( -3.315 4.127 1.990) 5.655 2.876 ( -1.855 7.418 -5.770) 9.579 3.048 ( -4.929 3.033 1.206) 5.912 3.140 ( -4.216 2.703 -7.706) 9.191 3.272 ( -1.602 -4.675 0.649) 4.984 3.297 ( -1.311 -1.004 2.863) 3.305 3.441 ( 0.677 8.761 1.140) 8.861 3.481 ( 4.589 5.951 1.984) 7.773 3.720 ( 4.178 -1.289 -0.122) 4.374 3.803 ( 2.309 15.022 4.100) 15.742 4.030 ( -2.124 3.102 1.938) 4.230 4.180 ( 1.693 3.032 -1.870) 3.944 4.257 ( 0.887 -2.236 0.956) 2.589 4.475 ( 3.117 -1.382 0.236) 3.418 4.739 ( -3.312 -1.388 -2.452) 4.349 4.954 ( 2.784 4.589 0.393) 5.382 6.751 ( -2.138 -0.196 -0.442) 2.192 6.839 ( 0.077 1.249 -0.163) 1.262 7.207 ( -0.997 -2.236 1.661) 2.959 7.321 ( 4.210 -1.600 -1.594) 4.777 7.354 ( 1.196 1.809 0.226) 2.180 7.730 ( 0.210 -4.616 -0.699) 4.674 9.243 ( -4.649 19.277 -0.392) 19.834 9.813 ( -6.854 14.447 0.440) 15.996 17.764 ( 0.056 21.213 0.225) 21.214 18.192 ( -0.887 3.396 -0.536) 3.551 ======================= Grid point 38 (23/182) ======================= q-point: ( 0.25 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 292 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.126 ( 5.749 15.632 1.379) 16.713 2.153 ( 0.706 3.680 -4.099) 5.554 2.203 ( -0.438 17.650 1.216) 17.697 2.548 ( -2.404 -0.411 3.198) 4.022 2.634 ( -2.013 1.742 2.175) 3.438 2.793 ( -5.911 8.648 -4.343) 11.340 2.981 ( -0.437 4.935 -4.009) 6.373 3.041 ( -2.351 4.515 -5.078) 7.190 3.244 ( -1.115 -3.007 -0.892) 3.329 3.275 ( -2.297 -2.633 2.596) 4.353 3.450 ( -1.054 7.017 2.509) 7.526 3.517 ( -0.975 6.650 1.733) 6.941 3.806 ( 2.241 0.946 -0.500) 2.484 3.839 ( 0.038 10.931 0.648) 10.951 4.043 ( 1.198 1.863 5.076) 5.539 4.198 ( 1.839 0.001 -0.926) 2.059 4.293 ( 2.650 1.549 0.216) 3.077 4.540 ( 3.161 -0.995 0.171) 3.319 4.695 ( 0.815 3.515 -1.702) 3.990 4.990 ( 0.823 5.647 -0.381) 5.720 6.703 ( -2.583 -0.028 -0.489) 2.629 6.831 ( -0.789 4.923 -0.517) 5.013 7.229 ( 2.400 -4.623 0.476) 5.231 7.362 ( 0.496 0.215 3.343) 3.387 7.408 ( 4.427 -0.990 -2.364) 5.116 7.719 ( -0.682 -5.538 -2.211) 6.002 9.145 ( -5.105 17.517 0.077) 18.246 9.646 ( -11.090 13.092 0.364) 17.162 17.768 ( 0.108 18.479 0.347) 18.482 18.167 ( -1.245 2.531 -0.781) 2.927 ======================= Grid point 39 (24/182) ======================= q-point: ( 0.38 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.149 ( 2.319 6.246 -2.842) 7.244 2.234 ( 4.287 6.287 0.900) 7.662 2.250 ( 2.311 7.682 3.213) 8.642 2.481 ( -4.546 2.574 0.836) 5.290 2.653 ( 0.812 5.928 2.558) 6.507 2.672 ( -3.217 10.817 -2.008) 11.463 2.919 ( -2.420 -1.522 -6.019) 6.663 2.983 ( -3.070 8.217 -1.506) 8.900 3.226 ( -0.180 -0.773 -2.029) 2.179 3.272 ( 0.533 -1.562 2.571) 3.055 3.438 ( -1.241 4.689 1.657) 5.126 3.502 ( -1.325 6.545 1.651) 6.879 3.787 ( -3.188 5.317 1.155) 6.306 3.811 ( -1.293 2.027 -3.487) 4.236 4.092 ( 1.095 4.922 2.809) 5.772 4.243 ( 1.863 1.234 -0.044) 2.235 4.359 ( 4.156 -1.571 1.790) 4.790 4.564 ( 0.040 -3.171 -1.762) 3.628 4.764 ( 6.183 9.533 0.896) 11.398 4.972 ( -2.462 8.617 -0.881) 9.005 6.661 ( -1.537 0.459 -0.279) 1.628 6.809 ( -0.969 7.016 -0.555) 7.104 7.284 ( 3.126 -6.260 -0.630) 7.025 7.391 ( 0.295 1.362 3.520) 3.786 7.468 ( 2.977 -2.177 -0.391) 3.708 7.676 ( -1.964 -5.979 -3.183) 7.052 9.086 ( -1.184 14.652 0.644) 14.714 9.444 ( -10.074 12.064 -0.044) 15.717 17.772 ( 0.099 15.755 0.270) 15.757 18.143 ( -0.877 1.676 -0.572) 1.976 ======================= Grid point 40 (25/182) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.179 ( -0.000 7.192 0.000) 7.192 2.269 ( 0.000 -0.726 0.000) 0.726 2.283 ( 0.000 1.132 -0.000) 1.132 2.437 ( 0.000 7.098 -0.000) 7.098 2.652 ( 0.000 14.141 -0.000) 14.141 2.671 ( 0.000 11.572 0.000) 11.572 2.868 ( -0.000 -5.972 0.000) 5.972 2.935 ( 0.001 7.434 -0.000) 7.434 3.216 ( 0.000 -1.069 0.000) 1.069 3.293 ( 0.000 -0.056 -0.000) 0.056 3.432 ( 0.000 3.198 -0.000) 3.198 3.495 ( 0.000 7.778 0.000) 7.778 3.752 ( 0.000 3.727 0.000) 3.727 3.785 ( 0.000 1.802 -0.000) 1.802 4.113 ( 0.000 5.802 0.000) 5.802 4.255 ( 0.000 3.290 0.000) 3.290 4.419 ( 0.000 -5.443 -0.000) 5.443 4.548 ( 0.000 -2.709 0.000) 2.709 4.876 ( -0.000 6.406 -0.000) 6.406 4.900 ( 0.000 14.875 0.000) 14.875 6.646 ( 0.000 0.735 -0.000) 0.735 6.797 ( 0.000 7.472 -0.000) 7.472 7.314 ( 0.000 -6.946 -0.000) 6.946 7.406 ( 0.000 2.611 0.000) 2.611 7.500 ( 0.000 -2.930 -0.000) 2.930 7.638 ( 0.000 -6.013 0.000) 6.013 9.090 ( 0.000 12.751 -0.000) 12.751 9.336 ( 0.000 12.067 0.000) 12.067 17.774 ( 0.001 14.628 0.000) 14.628 18.132 ( 0.001 1.326 0.000) 1.326 ======================= Grid point 45 (26/182) ======================= q-point: ( 0.00 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.292 ( 0.000 4.083 0.000) 4.083 2.393 ( 0.000 14.340 0.000) 14.340 2.425 ( 0.000 0.753 0.000) 0.753 2.716 ( 0.000 13.861 0.000) 13.861 2.827 ( 0.000 2.846 0.000) 2.846 3.066 ( 0.000 -5.426 0.000) 5.426 3.109 ( 0.000 8.474 0.000) 8.474 3.146 ( 0.000 -5.267 0.000) 5.267 3.213 ( 0.000 0.454 0.000) 0.454 3.306 ( 0.000 -1.735 0.000) 1.735 3.426 ( 0.000 4.203 0.000) 4.203 3.632 ( 0.000 7.995 0.000) 7.995 3.747 ( 0.000 5.371 0.000) 5.371 3.986 ( 0.000 0.251 0.000) 0.251 4.104 ( 0.000 -3.454 0.000) 3.454 4.130 ( 0.000 1.337 0.000) 1.337 4.271 ( 0.000 4.709 0.000) 4.709 4.400 ( 0.000 -2.513 0.000) 2.513 4.758 ( 0.000 2.746 0.000) 2.746 4.969 ( 0.000 -1.198 0.000) 1.198 6.784 ( 0.000 0.798 0.000) 0.798 6.821 ( 0.000 -0.778 0.000) 0.778 7.220 ( 0.000 -0.247 0.000) 0.247 7.239 ( 0.000 -1.003 0.000) 1.003 7.422 ( 0.000 5.172 0.000) 5.172 7.645 ( 0.000 -4.406 0.000) 4.406 9.682 ( 0.000 17.360 0.000) 17.360 10.053 ( 0.000 2.084 0.000) 2.084 18.136 ( 0.000 13.235 0.000) 13.235 18.288 ( 0.000 3.460 0.000) 3.460 ======================= Grid point 46 (27/182) ======================= q-point: ( 0.12 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.273 ( -1.192 4.791 -1.503) 5.161 2.391 ( -0.309 12.154 -0.719) 12.179 2.451 ( 1.896 1.365 2.105) 3.145 2.652 ( -5.843 11.351 0.757) 12.789 2.739 ( -9.801 -0.839 1.307) 9.923 3.023 ( 2.340 1.110 -5.818) 6.368 3.110 ( -1.662 2.393 -2.365) 3.753 3.148 ( -0.670 0.862 3.866) 4.017 3.185 ( -0.487 1.409 -1.193) 1.909 3.351 ( -3.502 7.372 -1.403) 8.281 3.484 ( 8.248 -4.625 1.950) 9.655 3.645 ( -1.529 3.647 1.740) 4.320 3.719 ( 0.431 5.973 1.727) 6.233 3.976 ( -2.034 -1.223 0.373) 2.402 4.060 ( -2.628 1.315 1.329) 3.226 4.214 ( 5.892 -1.619 -1.242) 6.236 4.274 ( 0.765 4.661 -0.716) 4.778 4.417 ( 1.664 -3.733 -0.561) 4.126 4.770 ( 1.944 5.706 0.170) 6.031 5.006 ( 3.277 -0.678 0.722) 3.423 6.762 ( -1.604 1.423 -0.549) 2.213 6.851 ( 2.306 -0.845 0.898) 2.615 7.185 ( -1.999 0.519 0.068) 2.066 7.279 ( 2.735 -2.448 -0.699) 3.737 7.427 ( 0.603 4.965 0.114) 5.003 7.641 ( -0.314 -4.416 -0.488) 4.454 9.623 ( -5.965 16.796 -0.456) 17.829 9.983 ( -7.485 1.942 0.016) 7.733 18.121 ( -1.386 12.767 -0.490) 12.851 18.271 ( -1.532 3.211 -0.614) 3.611 ======================= Grid point 47 (28/182) ======================= q-point: ( 0.25 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.244 ( -0.773 5.224 -1.368) 5.455 2.368 ( -1.409 6.173 -0.889) 6.394 2.477 ( -9.925 6.197 1.106) 11.752 2.523 ( 2.770 0.446 3.585) 4.552 2.659 ( -1.491 3.225 2.483) 4.335 2.995 ( -1.027 4.882 -6.667) 8.327 3.050 ( -2.821 3.481 -5.074) 6.769 3.136 ( -2.729 0.424 2.717) 3.874 3.196 ( 0.292 0.508 1.325) 1.449 3.293 ( -0.243 9.346 -2.196) 9.604 3.561 ( -3.020 -3.848 -0.707) 4.942 3.588 ( -0.118 5.954 2.406) 6.423 3.844 ( 6.776 0.839 4.609) 8.238 3.901 ( -5.412 -2.726 -0.013) 6.060 4.036 ( -1.267 1.397 2.803) 3.378 4.260 ( 1.884 3.219 -4.294) 5.688 4.322 ( 3.472 0.997 -0.411) 3.636 4.433 ( 0.491 -7.332 -1.282) 7.459 4.851 ( 6.056 9.869 1.720) 11.706 5.077 ( 3.618 1.495 0.713) 3.979 6.730 ( -1.428 3.034 -0.267) 3.364 6.906 ( 2.967 -0.082 0.827) 3.081 7.157 ( -1.062 -0.077 -0.104) 1.070 7.321 ( 2.156 -3.620 0.212) 4.219 7.447 ( 1.472 3.799 -0.110) 4.076 7.623 ( -1.130 -4.222 -1.511) 4.625 9.486 ( -7.870 14.942 -0.353) 16.891 9.801 ( -11.614 1.888 -0.099) 11.767 18.086 ( -1.928 11.632 -0.662) 11.809 18.231 ( -2.161 2.613 -0.874) 3.501 ======================= Grid point 48 (29/182) ======================= q-point: ( 0.38 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.230 ( -0.126 2.219 -0.602) 2.302 2.317 ( -5.770 -0.940 2.400) 6.319 2.356 ( -1.098 7.007 -0.855) 7.144 2.630 ( 5.063 6.176 3.098) 8.566 2.652 ( -0.654 0.109 1.515) 1.653 2.951 ( -1.164 9.873 -3.006) 10.386 2.961 ( -1.651 6.522 -5.833) 8.905 3.087 ( -3.378 -0.620 1.051) 3.592 3.188 ( -1.364 -3.929 -0.365) 4.175 3.296 ( 0.410 8.684 -0.080) 8.694 3.479 ( -3.578 -2.361 -0.735) 4.349 3.629 ( 1.270 5.243 2.317) 5.871 3.795 ( -3.826 -2.105 0.722) 4.426 3.923 ( -0.796 8.676 -1.766) 8.890 4.090 ( 3.924 -6.339 7.742) 10.748 4.264 ( 1.108 0.925 -5.095) 5.295 4.343 ( -0.036 0.798 -2.091) 2.239 4.436 ( 0.602 -7.364 -0.103) 7.389 4.976 ( 5.528 9.798 1.457) 11.344 5.132 ( 1.820 4.780 0.519) 5.141 6.712 ( -0.538 4.831 0.090) 4.862 6.955 ( 1.678 3.493 0.185) 3.880 7.149 ( 0.145 -3.493 0.164) 3.500 7.361 ( 1.650 -4.501 1.113) 4.921 7.474 ( 1.374 2.325 -0.166) 2.705 7.583 ( -1.749 -3.340 -2.085) 4.308 9.366 ( -4.482 11.952 0.026) 12.764 9.596 ( -9.665 2.574 -0.210) 10.004 18.051 ( -1.341 10.489 -0.446) 10.584 18.191 ( -1.524 2.019 -0.624) 2.605 ======================= Grid point 49 (30/182) ======================= q-point: (-0.50 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.230 ( -0.000 -1.235 0.000) 1.235 2.265 ( 0.000 -1.539 -0.000) 1.539 2.349 ( 0.000 8.456 0.000) 8.456 2.635 ( 0.000 7.598 -0.000) 7.598 2.725 ( 0.000 -3.693 0.000) 3.693 2.878 ( 0.000 8.666 -0.000) 8.666 2.972 ( 0.001 14.365 0.000) 14.365 3.048 ( -0.000 -1.549 0.000) 1.549 3.165 ( 0.000 -3.678 0.000) 3.678 3.300 ( 0.000 5.473 0.000) 5.473 3.442 ( 0.000 -3.177 -0.000) 3.177 3.638 ( 0.000 1.654 0.000) 1.654 3.784 ( 0.000 4.242 -0.000) 4.242 3.887 ( 0.000 8.190 0.000) 8.190 4.197 ( 0.000 0.330 0.001) 0.330 4.218 ( -0.000 -10.192 -0.001) 10.192 4.334 ( 0.000 2.064 0.000) 2.064 4.443 ( 0.000 -5.599 0.000) 5.599 5.036 ( 0.000 8.327 -0.000) 8.327 5.149 ( 0.000 7.002 0.000) 7.002 6.708 ( 0.000 5.699 -0.000) 5.699 6.969 ( 0.000 6.060 0.000) 6.060 7.154 ( 0.000 -5.943 -0.000) 5.943 7.383 ( 0.000 -5.430 -0.000) 5.430 7.487 ( 0.000 1.841 -0.000) 1.841 7.555 ( 0.000 -2.383 0.000) 2.383 9.329 ( 0.000 9.993 -0.000) 9.993 9.496 ( 0.000 3.422 0.000) 3.422 18.037 ( 0.001 10.013 0.001) 10.013 18.174 ( 0.001 1.774 -0.000) 1.774 ======================= Grid point 54 (31/182) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.361 ( 0.000 -2.843 0.000) 2.843 2.361 ( 0.000 2.843 0.000) 2.843 2.720 ( 0.000 -12.243 0.000) 12.243 2.720 ( 0.000 12.243 0.000) 12.243 2.913 ( 0.000 -7.530 0.000) 7.530 2.913 ( 0.000 7.530 0.000) 7.530 3.197 ( 0.000 -6.678 0.000) 6.678 3.197 ( 0.000 6.678 0.000) 6.678 3.209 ( 0.000 -1.440 0.000) 1.440 3.209 ( 0.000 1.440 0.000) 1.440 3.619 ( 0.000 -9.777 0.000) 9.777 3.619 ( 0.000 9.777 0.000) 9.777 3.874 ( 0.000 -6.081 0.000) 6.081 3.874 ( 0.000 6.081 0.000) 6.081 4.110 ( 0.000 -1.994 0.000) 1.994 4.110 ( 0.000 1.994 0.000) 1.994 4.348 ( 0.000 -2.754 0.000) 2.754 4.348 ( 0.000 2.754 0.000) 2.754 4.878 ( 0.000 -6.740 0.000) 6.740 4.878 ( 0.000 6.740 0.000) 6.740 6.803 ( 0.000 -0.949 0.000) 0.949 6.803 ( 0.000 0.949 0.000) 0.949 7.223 ( 0.000 -0.486 0.000) 0.486 7.223 ( 0.000 0.486 0.000) 0.486 7.540 ( 0.000 -5.724 0.000) 5.724 7.540 ( 0.000 5.725 0.000) 5.725 9.970 ( 0.000 -9.721 0.000) 9.721 9.970 ( 0.000 9.721 0.000) 9.721 18.301 ( 0.000 -3.062 0.000) 3.062 18.301 ( 0.000 3.062 0.000) 3.062 ======================= Grid point 56 (32/182) ======================= q-point: ( 0.12 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.365 ( 0.142 -4.074 0.570) 4.116 2.365 ( 0.142 4.074 0.570) 4.116 2.655 ( -7.171 -7.620 -0.290) 10.467 2.655 ( -7.171 7.620 -0.290) 10.468 2.855 ( -2.747 -10.175 0.551) 10.553 2.855 ( -2.747 10.175 0.551) 10.554 3.175 ( -0.713 -1.981 -2.506) 3.273 3.175 ( -0.713 1.981 -2.506) 3.273 3.316 ( 6.316 -9.781 0.949) 11.682 3.316 ( 6.316 9.781 0.949) 11.682 3.573 ( -3.161 -10.232 0.605) 10.726 3.573 ( -3.161 10.232 0.605) 10.726 3.868 ( -2.134 -7.059 1.541) 7.534 3.868 ( -2.134 7.059 1.541) 7.534 4.134 ( 2.747 -5.421 -0.324) 6.086 4.134 ( 2.747 5.421 -0.324) 6.086 4.351 ( 0.677 -2.858 -1.835) 3.463 4.351 ( 0.677 2.858 -1.835) 3.463 4.922 ( 4.103 -6.961 1.388) 8.198 4.922 ( 4.103 6.961 1.388) 8.198 6.808 ( 0.484 -2.693 0.157) 2.740 6.808 ( 0.484 2.693 0.157) 2.740 7.224 ( 0.220 -2.667 -0.258) 2.689 7.224 ( 0.220 2.667 -0.258) 2.689 7.539 ( -0.032 -5.448 -0.170) 5.451 7.539 ( -0.032 5.448 -0.170) 5.451 9.901 ( -7.097 -9.414 -0.316) 11.793 9.901 ( -7.097 9.414 -0.316) 11.793 18.282 ( -1.798 -3.054 -0.687) 3.610 18.282 ( -1.798 3.055 -0.687) 3.610 ======================= Grid point 58 (33/182) ======================= q-point: ( 0.25 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.355 ( -2.959 -4.891 1.253) 5.852 2.355 ( -2.959 4.891 1.253) 5.852 2.522 ( -4.775 -2.283 0.488) 5.315 2.522 ( -4.776 2.283 0.488) 5.316 2.844 ( 0.631 -11.268 0.421) 11.293 2.844 ( 0.631 11.268 0.421) 11.293 3.138 ( -1.655 -3.785 -2.683) 4.926 3.138 ( -1.655 3.786 -2.683) 4.926 3.341 ( -2.606 -10.355 -2.018) 10.867 3.341 ( -2.606 10.355 -2.018) 10.867 3.582 ( 2.058 -8.672 0.429) 8.923 3.582 ( 2.058 8.672 0.429) 8.923 3.829 ( -2.467 -3.559 5.180) 6.752 3.829 ( -2.467 3.559 5.180) 6.752 4.180 ( 1.976 -9.390 -2.226) 9.850 4.180 ( 1.976 9.390 -2.226) 9.850 4.349 ( 0.691 -1.603 -1.935) 2.606 4.349 ( 0.691 1.603 -1.935) 2.606 5.028 ( 5.900 -6.130 1.809) 8.698 5.028 ( 5.900 6.130 1.809) 8.698 6.825 ( 1.193 -5.601 0.554) 5.754 6.825 ( 1.193 5.601 0.554) 5.754 7.229 ( 0.480 -5.036 -0.235) 5.064 7.229 ( 0.480 5.036 -0.235) 5.064 7.535 ( -0.227 -4.410 -0.630) 4.461 7.535 ( -0.227 4.411 -0.630) 4.461 9.732 ( -10.362 -8.243 -0.390) 13.246 9.732 ( -10.362 8.243 -0.390) 13.246 18.235 ( -2.527 -3.020 -0.955) 4.052 18.235 ( -2.527 3.021 -0.955) 4.052 ======================= Grid point 60 (34/182) ======================= q-point: ( 0.38 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.275 ( -4.875 -2.363 1.211) 5.551 2.275 ( -4.874 2.363 1.211) 5.551 2.510 ( 1.242 -7.496 0.845) 7.645 2.510 ( 1.242 7.496 0.845) 7.645 2.869 ( 1.580 -10.468 0.023) 10.586 2.869 ( 1.580 10.468 0.023) 10.587 3.083 ( -2.389 -5.630 -2.265) 6.522 3.083 ( -2.389 5.630 -2.265) 6.522 3.278 ( -2.150 -10.796 -1.319) 11.087 3.278 ( -2.150 10.796 -1.319) 11.087 3.561 ( -3.177 -9.480 -0.805) 10.031 3.561 ( -3.177 9.481 -0.805) 10.031 3.890 ( 4.032 -9.220 6.638) 12.055 3.890 ( 4.032 9.220 6.638) 12.055 4.153 ( -2.312 -10.201 -4.677) 11.458 4.153 ( -2.312 10.201 -4.677) 11.458 4.363 ( 1.379 -0.996 -0.455) 1.761 4.363 ( 1.379 0.996 -0.454) 1.761 5.133 ( 4.000 -4.509 1.143) 6.135 5.133 ( 4.000 4.509 1.143) 6.135 6.855 ( 1.441 -8.329 0.806) 8.491 6.855 ( 1.441 8.329 0.805) 8.491 7.235 ( 0.287 -7.215 -0.267) 7.226 7.235 ( 0.287 7.215 -0.267) 7.226 7.526 ( -0.236 -2.545 -0.685) 2.646 7.526 ( -0.237 2.545 -0.686) 2.647 9.557 ( -7.612 -6.044 -0.230) 9.723 9.557 ( -7.612 6.044 -0.230) 9.723 18.189 ( -1.776 -2.964 -0.664) 3.518 18.189 ( -1.775 2.965 -0.664) 3.519 ======================= Grid point 62 (35/182) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.231 ( 0.000 -1.188 -0.000) 1.188 2.231 ( 0.000 1.188 -0.000) 1.188 2.530 ( 0.000 -8.668 0.000) 8.668 2.530 ( 0.000 8.668 0.000) 8.668 2.887 ( -0.000 -9.815 -0.000) 9.815 2.887 ( 0.000 9.815 0.000) 9.815 3.048 ( 0.000 -6.094 -0.000) 6.094 3.048 ( 0.000 6.094 0.000) 6.094 3.255 ( 0.000 -10.840 0.000) 10.840 3.255 ( 0.000 10.840 -0.000) 10.840 3.521 ( 0.000 -9.405 0.000) 9.405 3.521 ( 0.000 9.406 0.000) 9.406 3.979 ( 0.000 -11.224 -0.000) 11.224 3.979 ( 0.000 11.224 0.000) 11.224 4.088 ( 0.000 -8.954 0.000) 8.954 4.088 ( 0.000 8.954 -0.000) 8.954 4.377 ( 0.000 -1.731 0.000) 1.731 4.377 ( 0.000 1.731 -0.000) 1.731 5.174 ( 0.000 -3.841 -0.000) 3.841 5.174 ( 0.000 3.841 -0.000) 3.841 6.874 ( 0.000 -9.463 -0.000) 9.463 6.874 ( 0.000 9.463 0.000) 9.463 7.236 ( 0.000 -8.271 -0.000) 8.271 7.236 ( 0.000 8.271 -0.000) 8.271 7.521 ( 0.000 -1.361 -0.000) 1.361 7.521 ( 0.001 1.362 0.000) 1.362 9.482 ( 0.000 -4.453 -0.000) 4.453 9.482 ( 0.000 4.453 0.000) 4.453 18.170 ( 0.001 -2.934 0.001) 2.934 18.170 ( 0.001 2.935 0.000) 2.935 ======================= Grid point 117 (36/182) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.498 ( -1.238 0.000 24.106) 24.138 0.525 ( 5.601 0.000 25.202) 25.817 0.833 ( 14.039 0.000 40.652) 43.007 1.851 ( 3.279 0.000 -4.240) 5.360 2.163 ( -1.826 0.000 -10.472) 10.630 2.608 ( -5.720 0.000 0.281) 5.727 2.826 ( 1.149 0.000 1.386) 1.801 2.890 ( -8.695 0.000 3.819) 9.497 2.894 ( 0.399 0.000 4.345) 4.363 3.124 ( -1.240 0.000 -2.411) 2.711 3.366 ( -6.463 0.000 -3.082) 7.160 3.449 ( 1.110 0.000 -11.742) 11.795 3.513 ( 5.190 0.000 3.634) 6.336 3.632 ( -8.892 0.000 5.102) 10.252 3.905 ( -7.983 0.000 -5.709) 9.815 4.107 ( -7.227 0.000 -0.164) 7.229 4.326 ( 6.708 0.000 1.042) 6.788 4.383 ( 15.531 0.000 4.065) 16.054 4.699 ( 0.698 0.000 -1.630) 1.773 5.225 ( 0.886 0.000 -0.189) 0.906 6.953 ( -0.545 0.000 2.553) 2.610 7.015 ( -2.744 0.000 -2.595) 3.776 7.025 ( 0.132 0.000 1.182) 1.189 7.180 ( 0.910 0.000 2.159) 2.343 7.453 ( 0.415 0.000 3.042) 3.071 7.730 ( -0.287 0.000 -1.008) 1.048 8.460 ( 0.385 0.000 6.024) 6.037 9.464 ( -43.992 0.000 -8.610) 44.826 16.877 ( 53.659 0.000 22.124) 58.041 18.598 ( -1.540 0.000 1.306) 2.019 ======================= Grid point 118 (37/182) ======================= q-point: ( 0.12 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.828 ( 18.063 0.000 16.311) 24.337 0.889 ( 15.915 0.000 19.898) 25.480 1.477 ( 27.494 0.000 33.519) 43.352 1.985 ( 13.456 0.000 -2.635) 13.712 2.050 ( -2.791 0.000 -12.599) 12.905 2.464 ( -9.360 0.000 -1.149) 9.431 2.711 ( -13.008 0.000 1.870) 13.142 2.848 ( 0.060 0.000 1.715) 1.716 2.919 ( -0.349 0.000 3.936) 3.951 3.072 ( -1.377 0.000 -0.453) 1.449 3.231 ( -6.345 0.000 -1.472) 6.514 3.332 ( -3.391 0.000 -9.508) 10.095 3.541 ( -4.005 0.000 5.340) 6.675 3.632 ( 5.553 0.000 1.737) 5.818 3.854 ( 2.188 0.000 0.298) 2.208 4.085 ( 1.719 0.000 -2.595) 3.113 4.345 ( -1.561 0.000 1.777) 2.365 4.566 ( 0.995 0.000 -15.053) 15.086 4.737 ( 4.653 0.000 3.451) 5.793 5.224 ( -0.989 0.000 -0.162) 1.002 6.962 ( -0.161 0.000 2.454) 2.460 6.967 ( -0.847 0.000 -1.190) 1.461 7.036 ( 0.244 0.000 1.392) 1.414 7.225 ( 2.571 0.000 0.596) 2.639 7.500 ( 2.330 0.000 3.739) 4.406 7.718 ( -0.137 0.000 -1.593) 1.599 8.478 ( -7.627 0.000 9.609) 12.268 8.704 ( -25.470 0.000 14.506) 29.311 17.787 ( 29.349 0.000 -7.947) 30.405 18.631 ( 5.178 0.000 0.188) 5.181 ======================= Grid point 119 (38/182) ======================= q-point: ( 0.25 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.257 ( 19.341 0.000 10.405) 21.962 1.287 ( 15.628 0.000 14.735) 21.479 1.915 ( -3.789 0.000 -11.974) 12.560 2.127 ( 22.586 0.000 19.725) 29.987 2.257 ( -9.849 0.000 -6.552) 11.829 2.291 ( 17.773 0.000 3.363) 18.088 2.466 ( -12.412 0.000 1.945) 12.563 2.841 ( -1.077 0.000 -1.279) 1.673 2.931 ( -0.979 0.000 3.189) 3.336 3.094 ( 3.760 0.000 1.179) 3.941 3.132 ( -4.160 0.000 1.755) 4.515 3.232 ( -1.289 0.000 -10.081) 10.163 3.538 ( -0.501 0.000 6.768) 6.787 3.727 ( 4.130 0.000 0.101) 4.131 3.920 ( 3.360 0.000 2.050) 3.936 4.097 ( 1.213 0.000 -3.416) 3.625 4.305 ( -4.326 0.000 -1.568) 4.601 4.353 ( -11.001 0.000 -11.510) 15.922 4.843 ( 4.291 0.000 1.974) 4.724 5.184 ( -3.351 0.000 -0.346) 3.369 6.975 ( -0.009 0.000 2.000) 2.000 6.980 ( 2.337 0.000 0.843) 2.484 7.048 ( 0.066 0.000 1.325) 1.326 7.254 ( 0.607 0.000 -1.828) 1.926 7.572 ( 2.793 0.000 3.613) 4.567 7.705 ( -0.108 0.000 -1.979) 1.982 8.267 ( -15.569 0.000 12.200) 19.780 8.630 ( 0.222 0.000 4.317) 4.323 18.039 ( 6.681 0.000 -0.413) 6.694 18.762 ( 7.575 0.000 0.443) 7.588 ======================= Grid point 120 (39/182) ======================= q-point: ( 0.38 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.626 ( 13.002 0.000 11.181) 17.148 1.638 ( 16.690 0.000 5.342) 17.524 1.763 ( -6.131 0.000 -9.379) 11.205 2.048 ( -6.710 0.000 -10.143) 12.161 2.164 ( -14.620 0.000 -0.359) 14.624 2.509 ( 11.757 0.000 9.772) 15.288 2.687 ( 9.480 0.000 5.449) 10.935 2.799 ( -1.122 0.000 -4.725) 4.856 2.911 ( -2.220 0.000 0.255) 2.234 3.110 ( -1.187 0.000 6.323) 6.433 3.176 ( 1.845 0.000 -7.594) 7.815 3.260 ( 11.452 0.000 10.331) 15.423 3.608 ( 4.543 0.000 6.444) 7.884 3.780 ( 2.046 0.000 -1.227) 2.386 3.896 ( -12.792 0.000 -8.361) 15.282 4.049 ( -5.394 0.000 0.125) 5.396 4.100 ( 0.690 0.000 -1.048) 1.255 4.284 ( 0.284 0.000 -2.887) 2.901 4.919 ( 3.700 0.000 -0.046) 3.701 5.098 ( -5.511 0.000 -0.751) 5.562 6.983 ( -0.202 0.000 1.387) 1.401 7.043 ( 2.768 0.000 1.011) 2.947 7.052 ( -0.400 0.000 1.003) 1.080 7.233 ( -0.742 0.000 -1.866) 2.008 7.631 ( 0.970 0.000 2.353) 2.545 7.694 ( 0.497 0.000 -1.458) 1.540 8.106 ( -9.384 0.000 9.040) 13.030 8.651 ( 0.155 0.000 -0.041) 0.160 18.118 ( 1.445 0.000 4.307) 4.543 18.877 ( 4.118 0.000 0.923) 4.220 ======================= Grid point 121 (40/182) ======================= q-point: (-0.50 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.562 ( -11.093 0.000 -6.196) 12.706 1.769 ( -16.519 0.000 -7.957) 18.335 1.874 ( 5.988 0.000 -8.925) 10.748 1.898 ( 10.387 0.000 8.442) 13.385 2.085 ( 5.474 0.000 9.274) 10.769 2.678 ( -9.540 0.000 -0.920) 9.584 2.697 ( 2.485 0.000 8.645) 8.995 2.756 ( 0.115 0.000 -5.825) 5.826 2.866 ( -1.877 0.000 -1.922) 2.687 3.147 ( 0.094 0.000 7.975) 7.976 3.211 ( 4.066 0.000 -1.529) 4.344 3.431 ( -9.188 0.000 0.003) 9.188 3.574 ( -5.880 0.000 2.705) 6.473 3.786 ( -0.320 0.000 -2.207) 2.230 3.858 ( 19.285 0.000 4.647) 19.837 4.017 ( -1.214 0.000 1.859) 2.220 4.127 ( 1.443 0.000 0.300) 1.474 4.297 ( 2.145 0.000 -0.997) 2.366 4.967 ( -2.691 0.000 -2.623) 3.758 5.003 ( 1.147 0.000 -0.577) 1.284 6.983 ( -0.641 0.000 1.010) 1.196 7.045 ( -0.835 0.000 0.585) 1.020 7.047 ( -1.868 0.000 -1.454) 2.367 7.251 ( 2.910 0.000 0.796) 3.017 7.620 ( -2.245 0.000 -0.223) 2.256 7.716 ( 1.462 0.000 0.573) 1.570 8.037 ( -3.744 0.000 8.071) 8.897 8.628 ( -1.721 0.000 -2.882) 3.357 18.147 ( -1.870 0.000 5.569) 5.875 18.912 ( -0.909 0.000 0.642) 1.113 ======================= Grid point 122 (41/182) ======================= q-point: (-0.38 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.274 ( -17.230 0.000 -3.829) 17.651 1.355 ( -22.067 0.000 -8.534) 23.660 1.867 ( -2.703 0.000 -8.223) 8.655 2.105 ( 7.390 0.000 5.756) 9.367 2.296 ( 7.097 0.000 6.938) 9.925 2.356 ( -21.010 0.000 1.955) 21.100 2.738 ( 1.441 0.000 -4.738) 4.952 2.756 ( -0.815 0.000 9.809) 9.843 2.829 ( -0.517 0.000 -2.405) 2.460 3.181 ( -5.635 0.000 -10.750) 12.137 3.205 ( 1.090 0.000 7.602) 7.679 3.282 ( 0.932 0.000 5.880) 5.953 3.584 ( -1.423 0.000 5.494) 5.675 3.742 ( -2.799 0.000 -2.836) 3.985 4.004 ( -1.601 0.000 3.865) 4.183 4.142 ( 3.785 0.000 -4.480) 5.865 4.242 ( 10.702 0.000 1.798) 10.852 4.355 ( 7.193 0.000 3.566) 8.029 4.853 ( -5.230 0.000 -2.466) 5.782 5.079 ( 5.257 0.000 -1.934) 5.602 6.973 ( -1.086 0.000 1.189) 1.611 7.004 ( -1.391 0.000 -0.338) 1.431 7.032 ( -0.864 0.000 0.290) 0.911 7.303 ( 1.792 0.000 -0.452) 1.848 7.564 ( -3.500 0.000 -0.300) 3.512 7.739 ( 0.628 0.000 0.533) 0.824 8.077 ( 2.196 0.000 11.388) 11.598 8.562 ( -3.144 0.000 -2.682) 4.132 18.101 ( -6.104 0.000 0.876) 6.167 18.855 ( -5.394 0.000 0.240) 5.399 ======================= Grid point 123 (42/182) ======================= q-point: (-0.25 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.890 ( -23.748 0.000 -3.965) 24.077 0.900 ( -21.928 0.000 0.179) 21.929 1.512 ( -33.024 0.000 0.102) 33.024 2.036 ( -8.777 0.000 -3.440) 9.427 2.224 ( 3.300 0.000 0.593) 3.353 2.503 ( 6.946 0.000 7.784) 10.433 2.753 ( 2.617 0.000 -2.480) 3.605 2.823 ( 0.759 0.000 -0.105) 0.767 2.837 ( 3.726 0.000 9.937) 10.613 3.074 ( -0.332 0.000 -9.514) 9.520 3.280 ( 2.698 0.000 6.142) 6.708 3.340 ( -0.458 0.000 11.207) 11.217 3.591 ( 0.830 0.000 1.063) 1.348 3.651 ( -5.119 0.000 -3.033) 5.950 3.983 ( -3.135 0.000 4.398) 5.401 4.198 ( 3.284 0.000 0.651) 3.348 4.234 ( -3.660 0.000 -5.674) 6.752 4.572 ( 8.655 0.000 -4.914) 9.952 4.777 ( -1.648 0.000 -1.404) 2.165 5.152 ( 3.913 0.000 -1.923) 4.360 6.960 ( -1.246 0.000 1.769) 2.164 7.005 ( 1.110 0.000 1.643) 1.983 7.021 ( -0.506 0.000 0.345) 0.612 7.293 ( -1.714 0.000 -4.015) 4.366 7.498 ( -3.506 0.000 0.494) 3.540 7.745 ( -0.065 0.000 0.122) 0.138 8.286 ( 9.971 0.000 21.340) 23.554 8.520 ( 0.512 0.000 6.429) 6.449 17.871 ( -17.137 0.000 -17.404) 24.425 18.740 ( -6.907 0.000 1.287) 7.025 ======================= Grid point 124 (43/182) ======================= q-point: (-0.12 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.536 ( -14.898 0.000 17.500) 22.982 0.537 ( -18.922 0.000 12.359) 22.600 0.875 ( -35.931 0.000 14.238) 38.649 1.897 ( -4.295 0.000 -4.565) 6.268 2.234 ( -0.127 0.000 -5.851) 5.852 2.629 ( 2.163 0.000 4.189) 4.715 2.792 ( 2.306 0.000 -0.562) 2.374 2.853 ( 1.207 0.000 3.482) 3.685 2.968 ( 0.192 0.000 3.495) 3.500 3.064 ( 7.021 0.000 -3.564) 7.874 3.378 ( 4.463 0.000 3.741) 5.823 3.403 ( 2.848 0.000 3.954) 4.873 3.526 ( -6.516 0.000 -2.187) 6.873 3.650 ( 2.486 0.000 6.871) 7.307 3.970 ( -0.453 0.000 5.174) 5.194 4.106 ( -2.368 0.000 -4.219) 4.838 4.283 ( 3.505 0.000 2.284) 4.184 4.509 ( -11.068 0.000 -17.500) 20.706 4.725 ( -2.940 0.000 -1.916) 3.510 5.199 ( 2.302 0.000 -0.967) 2.497 6.952 ( -0.988 0.000 2.300) 2.503 7.018 ( -0.124 0.000 0.754) 0.764 7.048 ( 1.286 0.000 1.108) 1.697 7.204 ( -3.635 0.000 -4.445) 5.742 7.453 ( -1.988 0.000 1.761) 2.656 7.740 ( -0.344 0.000 -0.403) 0.529 8.426 ( 0.124 0.000 3.853) 3.855 9.114 ( 46.605 0.000 42.842) 63.305 17.090 ( -52.475 0.000 -30.381) 60.635 18.644 ( -4.676 0.000 2.674) 5.387 ======================= Grid point 125 (44/182) ======================= q-point: ( 0.00 0.08 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.660 ( 0.028 15.495 16.405) 22.566 0.801 ( 5.095 16.205 21.579) 27.463 1.265 ( 7.094 37.433 20.937) 43.473 1.860 ( 2.589 1.462 -3.777) 4.807 2.294 ( -0.820 10.174 -9.191) 13.735 2.563 ( -5.136 -2.963 -0.938) 6.003 2.759 ( -1.504 -3.265 6.698) 7.601 2.894 ( -0.287 2.464 0.308) 2.500 2.982 ( 2.158 1.247 -1.375) 2.847 3.051 ( -1.876 8.122 0.197) 8.338 3.335 ( -0.596 -2.200 -1.942) 2.994 3.468 ( -4.470 2.265 -1.585) 5.256 3.608 ( -2.767 0.180 4.770) 5.518 3.690 ( 0.464 3.189 -3.466) 4.732 3.843 ( -1.953 0.191 -2.176) 2.930 4.073 ( 0.075 -1.188 -1.449) 1.875 4.284 ( 1.865 0.794 1.104) 2.308 4.326 ( 0.251 -1.413 2.067) 2.516 4.638 ( 1.213 -3.577 0.796) 3.860 5.173 ( 0.729 -4.399 -0.584) 4.497 6.936 ( -1.278 -4.788 -3.113) 5.852 7.016 ( -1.149 1.755 2.112) 2.977 7.074 ( 0.508 -0.297 -1.594) 1.699 7.134 ( 3.983 2.906 1.230) 5.082 7.640 ( -2.412 -2.841 -1.514) 4.023 8.044 ( 0.030 22.829 -8.713) 24.436 8.354 ( 1.079 -7.653 7.367) 10.677 8.785 ( -8.275 -11.532 13.859) 19.838 16.746 ( 6.564 3.324 25.264) 26.314 18.495 ( -1.410 -8.918 1.206) 9.109 ======================= Grid point 126 (45/182) ======================= q-point: ( 0.12 0.08 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.932 ( 16.319 10.124 12.800) 23.079 1.111 ( 13.784 14.352 18.716) 27.318 1.684 ( 20.135 21.617 23.123) 37.515 1.975 ( 12.107 0.311 -2.121) 12.295 2.224 ( -0.364 11.562 -10.994) 15.959 2.430 ( -7.952 -1.642 -2.459) 8.484 2.690 ( -10.133 -0.549 1.928) 10.330 2.890 ( 0.185 3.437 0.988) 3.581 2.983 ( 1.505 -2.256 -2.779) 3.883 3.053 ( -0.512 8.779 3.596) 9.501 3.289 ( -1.380 -1.804 -8.059) 8.373 3.333 ( -6.913 4.880 -1.894) 8.671 3.551 ( -3.756 1.237 4.601) 6.067 3.704 ( 1.182 4.377 0.593) 4.573 3.853 ( 2.492 0.659 1.297) 2.885 4.065 ( 0.242 -0.929 -2.344) 2.533 4.303 ( -2.305 -6.624 -2.015) 7.297 4.335 ( 0.462 -3.413 -1.454) 3.738 4.699 ( 4.045 -3.030 2.565) 5.668 5.163 ( -1.534 -5.089 -0.432) 5.333 6.886 ( -1.852 -5.458 -1.890) 6.065 7.000 ( -1.819 -4.013 0.986) 4.514 7.086 ( 1.465 5.778 -0.498) 5.981 7.206 ( 2.891 3.735 0.491) 4.749 7.622 ( 1.072 -5.482 -0.353) 5.597 7.979 ( -1.453 20.972 -6.963) 22.145 8.420 ( -0.099 -3.838 8.208) 9.061 8.629 ( -12.924 2.135 9.592) 16.235 17.193 ( 20.255 -20.484 21.347) 35.855 18.505 ( 2.182 -9.696 0.658) 9.960 ======================= Grid point 127 (46/182) ======================= q-point: ( 0.25 0.08 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.322 ( 18.231 6.450 8.737) 21.221 1.481 ( 15.102 13.937 14.336) 25.056 2.044 ( 3.842 7.811 -5.445) 10.268 2.201 ( 5.970 3.319 -4.297) 8.069 2.233 ( -1.317 -0.400 2.892) 3.203 2.331 ( 15.406 9.254 6.894) 19.249 2.469 ( -12.429 1.512 0.056) 12.521 2.908 ( 0.413 4.066 1.617) 4.395 3.003 ( -0.751 5.005 0.841) 5.131 3.058 ( 1.836 0.947 0.707) 2.184 3.197 ( -2.494 0.528 -4.991) 5.604 3.254 ( -1.045 4.736 -3.141) 5.778 3.542 ( -1.184 1.371 6.437) 6.687 3.737 ( 1.576 0.091 1.131) 1.942 3.918 ( 2.561 0.003 2.513) 3.588 4.044 ( -1.248 -4.569 -2.977) 5.594 4.204 ( -5.358 -5.186 -6.165) 9.675 4.281 ( -3.933 -0.977 -1.813) 4.440 4.793 ( 4.090 -3.314 1.862) 5.584 5.113 ( -3.620 -5.761 -0.378) 6.815 6.862 ( -0.087 -7.081 0.637) 7.110 6.970 ( -1.601 -7.669 -0.028) 7.834 7.112 ( 1.746 8.341 -1.049) 8.586 7.239 ( 0.747 3.952 -0.509) 4.054 7.664 ( 2.899 -4.420 1.154) 5.411 7.922 ( -1.242 17.112 -3.142) 17.442 8.362 ( -10.790 10.984 7.090) 16.951 8.559 ( 0.007 -3.522 4.681) 5.858 17.600 ( 11.986 -25.630 13.371) 31.294 18.580 ( 4.888 -13.025 1.356) 13.978 ======================= Grid point 128 (47/182) ======================= q-point: ( 0.38 0.08 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.676 ( 15.610 4.114 4.156) 16.669 1.814 ( 12.299 14.337 10.335) 21.532 1.947 ( -3.892 10.372 -9.766) 14.768 2.065 ( -6.189 4.182 -4.335) 8.636 2.175 ( -12.959 2.064 -3.623) 13.614 2.464 ( 8.606 -2.875 4.851) 10.289 2.671 ( 8.726 1.939 3.799) 9.713 2.914 ( -0.810 5.320 0.919) 5.459 2.970 ( -1.524 6.781 -0.518) 6.969 3.124 ( 0.749 1.672 1.887) 2.631 3.168 ( 3.243 -0.916 -3.515) 4.870 3.295 ( 6.653 2.861 8.156) 10.907 3.575 ( 1.017 -0.776 4.802) 4.970 3.739 ( -4.956 -5.622 0.215) 7.498 3.889 ( -4.736 -0.480 -5.526) 7.294 4.005 ( -0.292 -1.966 0.277) 2.007 4.115 ( -0.344 2.228 -1.256) 2.581 4.220 ( -0.806 -1.857 -1.108) 2.308 4.861 ( 3.073 -4.354 -0.326) 5.339 5.031 ( -4.977 -5.216 -0.561) 7.231 6.882 ( 0.563 -10.246 1.927) 10.441 6.942 ( -0.841 -8.408 -0.964) 8.505 7.132 ( 1.364 9.253 -1.939) 9.552 7.236 ( -0.228 4.175 -1.019) 4.304 7.735 ( 3.520 -0.645 3.311) 4.875 7.897 ( -0.787 12.496 0.781) 12.545 8.208 ( -8.819 14.809 3.784) 17.646 8.584 ( 0.025 -4.454 0.266) 4.462 17.800 ( 2.977 -22.484 9.248) 24.493 18.671 ( 3.327 -16.065 1.873) 16.512 ======================= Grid point 129 (48/182) ======================= q-point: (-0.50 0.08 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.723 ( -11.713 8.278 -8.699) 16.775 1.857 ( -12.843 10.819 -2.733) 17.014 1.891 ( 3.433 3.645 -9.909) 11.102 2.077 ( 7.087 7.003 8.047) 12.807 2.115 ( 9.579 8.749 9.554) 16.111 2.571 ( -0.330 -4.421 0.378) 4.449 2.698 ( -3.621 1.383 -0.719) 3.942 2.889 ( -1.946 6.315 0.502) 6.627 2.943 ( -0.943 6.603 -1.255) 6.787 3.164 ( 2.003 0.322 3.711) 4.230 3.208 ( 1.821 1.133 1.532) 2.636 3.426 ( -7.350 0.265 -0.043) 7.355 3.547 ( -5.721 -2.403 3.314) 7.035 3.683 ( 8.086 -6.317 2.787) 10.633 3.869 ( 4.194 -0.613 -1.772) 4.594 4.002 ( 0.006 -1.202 1.654) 2.045 4.121 ( 0.693 0.400 -0.857) 1.172 4.257 ( 3.769 0.336 2.526) 4.549 4.912 ( 0.879 -6.199 -0.622) 6.292 4.932 ( -2.436 -3.222 -2.580) 4.792 6.868 ( -2.053 -10.117 -0.066) 10.323 6.950 ( 1.240 -8.941 0.268) 9.031 7.135 ( 0.203 9.746 -2.255) 10.006 7.228 ( 0.209 2.997 -1.059) 3.186 7.838 ( 3.141 0.882 8.331) 8.947 7.898 ( 0.672 12.523 2.064) 12.710 8.103 ( -3.795 16.901 0.210) 17.323 8.550 ( -2.759 -5.572 -3.349) 7.062 17.831 ( -5.158 -22.679 7.167) 24.337 18.706 ( -0.949 -16.493 1.888) 16.628 ======================= Grid point 130 (49/182) ======================= q-point: (-0.38 0.08 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.384 ( -18.548 6.707 -8.620) 21.524 1.538 ( -18.524 15.908 -1.462) 24.461 1.892 ( -0.365 4.552 -8.093) 9.293 2.264 ( 4.367 8.297 3.440) 9.988 2.309 ( 1.547 1.152 7.740) 7.976 2.408 ( -8.566 9.500 0.888) 12.822 2.672 ( -0.481 -3.541 4.632) 5.850 2.862 ( -0.710 6.075 -0.313) 6.124 2.924 ( -0.392 8.998 -1.043) 9.067 3.177 ( -4.140 1.140 -6.187) 7.531 3.236 ( 0.180 -1.530 4.180) 4.455 3.280 ( 0.409 2.608 3.537) 4.414 3.531 ( -1.258 -4.109 2.248) 4.850 3.744 ( -1.277 -0.197 0.498) 1.385 3.970 ( 2.098 -5.238 1.537) 5.848 4.078 ( 6.451 -5.016 1.330) 8.279 4.144 ( 2.957 -1.234 1.371) 3.485 4.346 ( 3.456 0.661 2.454) 4.290 4.803 ( -6.026 -3.087 -2.337) 7.163 4.999 ( 5.584 -5.719 -2.071) 8.257 6.844 ( -0.108 -8.007 0.325) 8.015 6.969 ( 0.727 -7.957 0.159) 7.992 7.112 ( -1.260 8.985 -1.862) 9.262 7.222 ( -0.360 1.077 -1.761) 2.095 7.858 ( -3.567 1.186 6.172) 7.227 8.035 ( 7.808 24.142 5.620) 25.988 8.076 ( 2.007 10.921 0.795) 11.132 8.453 ( -4.734 -8.584 -4.026) 10.598 17.684 ( -15.471 -26.091 4.570) 30.675 18.667 ( -4.294 -14.449 2.303) 15.249 ======================= Grid point 131 (50/182) ======================= q-point: (-0.25 0.08 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.989 ( -19.313 10.627 -3.572) 22.331 1.171 ( -21.630 15.664 2.429) 26.816 1.665 ( -21.193 18.117 -3.116) 28.055 2.061 ( -10.172 3.710 -2.076) 11.025 2.394 ( 1.680 10.118 0.620) 10.275 2.498 ( 5.328 1.211 5.168) 7.521 2.714 ( 0.756 -5.355 5.804) 7.933 2.873 ( 1.777 5.733 0.992) 6.084 2.911 ( 0.089 9.887 -2.920) 10.310 3.088 ( 0.305 1.949 -7.733) 7.981 3.282 ( -0.213 -4.053 9.461) 10.295 3.361 ( 4.483 3.848 6.135) 8.517 3.528 ( 0.912 -2.573 -1.386) 3.062 3.711 ( -1.477 1.871 -0.448) 2.426 3.974 ( -2.747 -1.231 3.803) 4.850 4.159 ( 4.217 -4.228 -4.918) 7.736 4.199 ( -0.569 -0.479 2.471) 2.581 4.396 ( 0.429 -5.887 0.590) 5.932 4.698 ( -3.853 -3.335 -1.375) 5.278 5.084 ( 4.664 -4.988 -1.671) 7.030 6.876 ( 3.000 -6.301 0.911) 7.038 6.987 ( 1.339 -6.035 0.656) 6.216 7.072 ( -2.063 7.549 -0.763) 7.863 7.185 ( -2.010 0.464 -3.291) 3.884 7.810 ( -4.680 2.546 2.196) 5.762 8.070 ( 2.471 24.666 -5.687) 25.434 8.288 ( 5.309 5.144 8.150) 11.004 8.391 ( 3.316 -7.493 8.119) 11.535 17.311 ( -27.524 -23.403 3.032) 36.255 18.595 ( -4.908 -11.473 2.927) 12.818 ======================= Grid point 132 (51/182) ======================= q-point: (-0.12 0.08 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.716 ( -11.067 16.264 11.551) 22.813 0.814 ( -19.704 14.505 9.943) 26.410 1.275 ( -17.250 36.943 7.429) 41.444 1.910 ( -4.865 1.999 -3.616) 6.383 2.368 ( -1.744 10.254 -5.948) 11.982 2.596 ( 1.713 -2.586 2.618) 4.059 2.740 ( -1.385 -5.626 5.552) 8.025 2.894 ( 0.239 3.910 -1.174) 4.090 2.930 ( 2.852 6.034 0.949) 6.741 3.074 ( 0.950 5.483 -3.807) 6.742 3.331 ( -0.290 -3.892 6.284) 7.398 3.487 ( 2.932 3.677 4.293) 6.368 3.552 ( 3.277 0.458 -0.286) 3.321 3.702 ( 0.920 -0.054 -1.393) 1.671 3.924 ( -4.566 -0.216 0.874) 4.654 4.102 ( -2.799 -0.183 -3.925) 4.824 4.258 ( 3.827 -1.510 -0.130) 4.116 4.347 ( -5.432 -2.031 1.423) 5.971 4.644 ( -1.704 -3.669 -0.263) 4.054 5.145 ( 2.884 -4.347 -1.045) 5.320 6.938 ( 2.717 -5.062 -1.022) 5.835 7.024 ( -0.346 -1.128 2.801) 3.039 7.047 ( 1.743 2.107 -0.105) 2.737 7.120 ( -2.118 1.752 -3.564) 4.501 7.720 ( -4.948 1.026 -1.265) 5.209 8.074 ( 2.062 24.176 -7.573) 25.419 8.309 ( -0.262 -9.445 4.133) 10.313 8.672 ( 8.575 -7.605 19.502) 22.621 16.821 ( -25.466 -1.389 11.729) 28.071 18.532 ( -3.722 -9.652 2.482) 10.639 ======================= Grid point 133 (52/182) ======================= q-point: ( 0.00 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.080 ( 0.096 23.354 7.363) 24.487 1.193 ( 2.989 22.374 12.968) 26.032 1.920 ( 1.072 5.879 -2.563) 6.502 2.078 ( 2.358 36.180 8.647) 37.273 2.465 ( -2.252 3.479 -7.395) 8.477 2.560 ( -0.959 4.660 -2.691) 5.466 2.735 ( 0.164 1.078 3.651) 3.810 2.940 ( 1.047 2.470 -5.602) 6.211 3.046 ( -2.431 4.627 -2.514) 5.800 3.235 ( -0.441 7.713 2.679) 8.177 3.333 ( -0.476 2.098 0.935) 2.345 3.522 ( -5.700 1.789 -2.775) 6.587 3.585 ( -0.509 -1.304 2.640) 2.988 3.702 ( 5.020 -0.935 4.968) 7.124 3.887 ( -2.421 2.604 -1.108) 3.725 4.080 ( 1.369 1.458 -0.082) 2.002 4.313 ( 0.385 0.178 -1.192) 1.266 4.348 ( -1.158 4.509 -1.693) 4.954 4.594 ( 0.461 0.627 0.189) 0.801 5.062 ( 0.373 -6.094 -0.648) 6.139 6.836 ( -1.612 -4.092 -2.651) 5.135 6.914 ( 0.013 -5.532 -1.702) 5.788 7.191 ( 0.457 6.249 0.749) 6.311 7.206 ( 5.680 1.939 -0.971) 6.079 7.509 ( -5.833 -6.788 1.044) 9.011 8.052 ( 0.422 -11.859 1.262) 11.934 8.543 ( -0.527 18.413 1.360) 18.471 8.954 ( 0.170 20.654 2.542) 20.810 16.954 ( -0.964 15.458 16.183) 22.400 18.297 ( -1.077 -8.636 1.073) 8.769 ======================= Grid point 134 (53/182) ======================= q-point: ( 0.12 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.237 ( 11.016 18.897 7.656) 23.174 1.403 ( 10.209 15.426 15.228) 23.960 1.974 ( 6.217 2.642 -2.491) 7.200 2.258 ( 9.653 22.722 5.662) 25.328 2.374 ( -3.100 5.121 -6.382) 8.750 2.520 ( 0.056 11.009 -3.853) 11.664 2.716 ( -6.048 3.496 3.556) 7.838 2.955 ( 2.103 2.476 -1.237) 3.477 2.971 ( -0.557 1.991 -3.131) 3.752 3.243 ( -1.473 8.496 1.802) 8.809 3.295 ( -1.937 1.935 -3.924) 4.785 3.395 ( -5.534 1.209 -1.920) 5.981 3.586 ( -2.053 1.886 5.676) 6.323 3.765 ( 0.535 1.505 1.197) 1.996 3.889 ( 1.791 2.632 1.845) 3.679 4.100 ( -0.541 4.467 -1.253) 4.671 4.242 ( -3.453 0.137 -2.837) 4.471 4.350 ( 0.317 3.467 -2.020) 4.025 4.635 ( 3.516 -2.270 1.297) 4.381 5.043 ( -1.966 -5.976 -0.623) 6.322 6.779 ( -2.304 -3.989 -1.913) 4.988 6.883 ( -2.314 -5.188 -1.536) 5.885 7.210 ( 1.617 4.235 -1.799) 4.877 7.307 ( 4.064 3.859 0.678) 5.645 7.461 ( 0.725 -6.772 1.447) 6.963 8.059 ( 0.008 -10.177 -1.669) 10.313 8.536 ( -1.725 15.547 4.628) 16.313 8.919 ( -5.046 21.952 1.511) 22.575 17.112 ( 6.184 7.926 16.740) 19.526 18.296 ( 0.393 -9.092 0.695) 9.127 ======================= Grid point 135 (54/182) ======================= q-point: ( 0.25 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( 14.924 13.141 5.969) 20.761 1.720 ( 13.820 9.693 14.430) 22.208 2.070 ( 3.065 -2.101 -1.585) 4.040 2.280 ( 2.023 5.958 -10.195) 11.980 2.348 ( -2.402 7.499 -5.914) 9.848 2.536 ( -5.429 6.442 1.450) 8.548 2.648 ( 4.531 14.444 4.770) 15.872 2.965 ( 1.025 1.362 0.795) 1.881 3.055 ( 6.877 6.159 3.838) 9.998 3.185 ( -4.544 5.741 -0.228) 7.325 3.237 ( -1.402 4.569 -4.070) 6.277 3.319 ( -2.013 1.328 -1.427) 2.802 3.575 ( -3.690 1.027 6.575) 7.610 3.773 ( 0.582 3.310 -0.058) 3.362 3.935 ( 0.829 2.520 0.984) 2.829 4.031 ( -4.487 4.456 -0.475) 6.341 4.188 ( -0.956 1.535 -2.220) 2.864 4.328 ( -0.744 5.715 -3.608) 6.799 4.717 ( 3.894 -4.002 1.086) 5.689 4.987 ( -3.577 -5.581 -0.376) 6.639 6.739 ( -1.290 -4.431 -0.347) 4.628 6.827 ( -2.564 -5.124 -0.837) 5.791 7.221 ( 2.030 1.311 -5.307) 5.831 7.350 ( 1.059 5.142 0.481) 5.272 7.546 ( 5.073 -4.318 4.584) 8.086 8.026 ( -1.884 -6.868 -2.884) 7.683 8.546 ( -0.888 11.169 5.822) 12.627 8.806 ( -7.340 22.127 -0.136) 23.313 17.331 ( 6.483 -0.914 13.841) 15.311 18.319 ( 1.398 -10.874 1.124) 11.021 ======================= Grid point 136 (55/182) ======================= q-point: ( 0.38 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.815 ( 13.000 9.275 2.255) 16.128 1.999 ( 2.476 1.220 3.068) 4.127 2.091 ( 8.073 10.611 5.788) 14.535 2.191 ( -8.100 4.880 -5.322) 10.851 2.308 ( -1.207 7.061 -5.993) 9.340 2.444 ( 0.002 1.679 1.565) 2.295 2.761 ( 3.434 4.344 -0.532) 5.563 2.992 ( 1.236 2.358 0.589) 2.727 3.103 ( -3.175 4.344 -2.413) 5.897 3.206 ( 0.817 6.964 -3.320) 7.759 3.214 ( 3.069 5.228 5.177) 7.972 3.321 ( 3.311 1.189 6.027) 6.978 3.523 ( -5.251 -2.729 3.969) 7.126 3.787 ( -0.182 9.605 0.973) 9.656 3.876 ( -3.830 1.666 -2.924) 5.098 4.000 ( -0.808 1.133 0.654) 1.538 4.187 ( 1.106 4.251 0.051) 4.393 4.297 ( 0.542 8.395 -2.544) 8.789 4.772 ( 2.157 -4.075 -0.853) 4.689 4.919 ( -3.625 -4.951 0.139) 6.138 6.725 ( -0.613 -5.043 0.663) 5.123 6.788 ( -1.154 -5.636 -0.646) 5.789 7.228 ( 2.616 0.763 -5.832) 6.437 7.361 ( 0.303 5.848 -1.026) 5.946 7.664 ( 3.279 -3.519 7.533) 8.938 7.980 ( -1.259 -5.077 -0.061) 5.231 8.561 ( -0.451 12.125 2.533) 12.395 8.670 ( -6.571 18.330 -1.675) 19.544 17.482 ( 1.600 -5.956 9.931) 11.690 18.353 ( 1.061 -12.946 1.985) 13.140 ======================= Grid point 137 (56/182) ======================= q-point: (-0.50 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.877 ( -10.170 8.675 -8.659) 15.927 1.973 ( 3.456 6.124 -4.658) 8.434 2.104 ( -12.029 7.535 0.659) 14.210 2.160 ( 4.165 5.885 6.898) 9.978 2.356 ( 9.593 9.106 7.986) 15.451 2.521 ( 4.532 -1.948 -1.051) 5.044 2.767 ( -1.331 4.498 -2.439) 5.288 3.005 ( 0.323 3.487 -1.260) 3.721 3.049 ( -1.250 4.497 -1.211) 4.822 3.209 ( 0.661 5.499 0.213) 5.542 3.245 ( -0.180 0.521 3.813) 3.852 3.415 ( -2.901 0.391 0.409) 2.956 3.461 ( -1.920 -2.308 6.056) 6.759 3.773 ( 0.583 14.593 0.974) 14.637 3.840 ( 0.786 -1.844 -2.768) 3.417 3.990 ( 0.092 0.466 1.262) 1.348 4.187 ( -0.329 5.465 -1.059) 5.577 4.346 ( 3.849 7.076 1.690) 8.230 4.810 ( 3.124 -3.259 -0.680) 4.565 4.850 ( -3.820 -4.226 -1.259) 5.833 6.717 ( -0.575 -4.560 0.516) 4.625 6.782 ( 0.854 -6.384 -0.322) 6.449 7.242 ( 2.152 1.626 -4.823) 5.526 7.345 ( -0.909 5.560 -2.579) 6.196 7.736 ( -1.381 -5.430 9.408) 10.950 8.009 ( 3.631 -4.613 3.540) 6.856 8.544 ( -5.252 16.913 -2.636) 17.905 8.572 ( 1.177 14.604 -1.531) 14.731 17.499 ( -5.516 -6.858 7.108) 11.313 18.374 ( -0.392 -13.599 2.645) 13.859 ======================= Grid point 138 (57/182) ======================= q-point: (-0.38 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.586 ( -14.304 13.069 -7.728) 20.860 1.793 ( -19.428 9.460 1.526) 21.662 2.027 ( 3.273 6.668 -3.768) 8.329 2.326 ( 6.811 3.146 4.949) 8.988 2.497 ( -0.237 9.432 2.508) 9.762 2.567 ( 0.786 0.076 2.075) 2.221 2.709 ( -2.547 11.674 0.072) 11.949 2.995 ( -0.460 5.386 -0.701) 5.451 3.060 ( 2.638 3.091 1.980) 4.520 3.221 ( -0.503 4.352 1.035) 4.502 3.270 ( -3.995 5.786 -2.430) 7.439 3.289 ( -1.098 -2.104 1.255) 2.684 3.476 ( 0.002 -0.917 3.173) 3.303 3.770 ( -1.850 2.981 -1.169) 3.698 3.880 ( 4.188 0.388 -1.707) 4.539 4.058 ( 4.443 1.640 5.772) 7.466 4.189 ( 1.339 4.603 -0.288) 4.803 4.400 ( 0.549 4.222 0.589) 4.298 4.749 ( -5.184 -2.114 -1.793) 5.878 4.894 ( 5.397 -3.583 -0.770) 6.524 6.723 ( 1.191 -3.792 0.508) 4.007 6.809 ( 2.085 -6.202 -0.060) 6.543 7.238 ( 0.173 2.873 -3.949) 4.887 7.300 ( -1.994 4.237 -3.309) 5.734 7.741 ( -3.699 -7.049 9.427) 12.338 8.118 ( 3.442 -9.530 3.995) 10.891 8.435 ( -3.375 14.584 -2.221) 15.134 8.622 ( 5.546 23.959 -2.575) 24.727 17.374 ( -12.238 -3.314 6.305) 14.160 18.370 ( -1.800 -12.529 2.887) 12.983 ======================= Grid point 139 (58/182) ======================= q-point: (-0.25 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.304 ( -12.251 19.283 -2.317) 22.963 1.443 ( -19.594 13.370 3.130) 23.926 2.018 ( -1.532 8.991 -4.106) 10.002 2.343 ( -12.930 22.979 0.409) 26.370 2.467 ( 4.535 1.721 3.580) 6.028 2.591 ( 0.312 2.166 0.570) 2.262 2.699 ( -0.635 5.743 1.486) 5.966 3.003 ( 1.180 6.725 1.839) 7.071 3.105 ( -3.799 6.873 -11.261) 13.729 3.161 ( 5.590 2.504 3.946) 7.286 3.237 ( -1.217 3.334 5.146) 6.251 3.379 ( 5.609 -1.931 4.710) 7.574 3.506 ( 1.647 -0.522 1.417) 2.235 3.717 ( -2.345 0.384 -3.382) 4.133 3.941 ( 1.715 -0.708 2.635) 3.223 4.148 ( 2.646 2.386 -0.037) 3.563 4.222 ( 0.321 2.300 0.658) 2.414 4.383 ( -0.915 2.744 0.159) 2.897 4.658 ( -3.347 -0.056 -1.522) 3.677 4.981 ( 4.277 -4.389 -0.685) 6.166 6.769 ( 3.288 -3.940 0.546) 5.161 6.856 ( 3.066 -5.195 0.073) 6.033 7.202 ( -1.296 3.453 -3.823) 5.312 7.237 ( -2.430 3.503 -2.997) 5.211 7.716 ( -5.361 -7.568 7.892) 12.178 8.108 ( -4.032 -11.945 -0.936) 12.642 8.451 ( 3.841 16.736 1.795) 17.265 8.740 ( 8.013 24.963 -0.417) 26.221 17.159 ( -15.019 5.039 8.069) 17.778 18.348 ( -2.422 -10.822 2.646) 11.401 ======================= Grid point 140 (59/182) ======================= q-point: (-0.12 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.150 ( -5.917 22.444 5.691) 23.899 1.163 ( -12.130 21.947 5.988) 25.781 1.954 ( -2.268 9.827 -3.035) 10.532 2.117 ( -10.612 33.392 4.252) 35.294 2.550 ( -2.649 3.696 -5.215) 6.919 2.553 ( 2.440 0.646 1.496) 2.934 2.708 ( 0.566 2.167 1.839) 2.899 2.988 ( -1.320 4.840 -8.800) 10.129 3.050 ( 1.517 6.400 0.685) 6.613 3.237 ( -0.571 7.012 2.064) 7.332 3.287 ( 3.071 1.049 5.839) 6.680 3.534 ( 6.041 -2.375 5.151) 8.286 3.551 ( 3.262 0.489 2.466) 4.118 3.642 ( -3.262 -1.196 -4.419) 5.621 3.951 ( -2.724 0.925 2.073) 3.546 4.107 ( -3.979 0.724 -2.440) 4.724 4.256 ( 4.589 1.110 -1.666) 5.007 4.386 ( -0.878 4.077 0.941) 4.275 4.608 ( -1.628 1.329 -0.545) 2.171 5.039 ( 2.540 -5.589 -0.744) 6.184 6.832 ( 2.988 -4.617 -0.694) 5.544 6.907 ( 1.911 -4.775 -0.416) 5.160 7.160 ( 0.658 1.660 -4.594) 4.929 7.194 ( -1.218 5.941 0.168) 6.067 7.628 ( -7.863 -7.030 3.755) 11.196 8.050 ( -1.555 -11.448 0.925) 11.590 8.522 ( 2.395 17.957 0.710) 18.130 8.881 ( 5.913 21.695 2.221) 22.596 16.974 ( -10.597 14.055 12.207) 21.421 18.319 ( -2.144 -9.365 1.925) 9.798 ======================= Grid point 141 (60/182) ======================= q-point: ( 0.00 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( 1.921 21.667 2.252) 21.868 1.727 ( -0.617 28.311 5.849) 28.915 2.056 ( -2.040 7.529 0.496) 7.816 2.494 ( -1.873 2.577 -6.052) 6.839 2.611 ( 0.610 5.300 -2.132) 5.746 2.677 ( 0.223 9.644 -1.017) 9.700 2.888 ( 2.403 13.764 0.353) 13.977 3.025 ( 0.198 6.342 -2.587) 6.852 3.163 ( -3.619 8.362 -3.838) 9.887 3.370 ( 1.007 4.760 2.188) 5.335 3.386 ( -1.993 2.176 2.546) 3.897 3.488 ( -3.059 -4.584 0.193) 5.514 3.588 ( 1.077 2.533 6.285) 6.861 3.693 ( 4.153 0.905 3.074) 5.246 3.959 ( 0.072 4.405 0.048) 4.406 4.111 ( 0.308 1.751 1.260) 2.179 4.310 ( 1.083 -1.295 -1.510) 2.265 4.420 ( -0.188 1.876 -2.365) 3.024 4.700 ( -2.127 8.645 -1.840) 9.091 4.933 ( 0.652 -6.072 0.149) 6.109 6.780 ( -0.517 -1.434 -1.152) 1.911 6.835 ( -0.529 -2.101 -2.432) 3.257 7.203 ( 5.588 -0.688 -2.555) 6.182 7.282 ( -1.096 1.679 0.079) 2.007 7.409 ( -4.111 -2.949 3.890) 6.382 7.843 ( -0.090 -7.738 0.368) 7.747 8.924 ( -1.457 18.854 3.037) 19.152 9.436 ( 1.646 23.219 -2.026) 23.366 17.341 ( -0.885 21.021 7.545) 22.351 18.181 ( -0.746 -2.282 0.535) 2.460 ======================= Grid point 142 (61/182) ======================= q-point: ( 0.12 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.659 ( 7.663 20.040 3.663) 21.766 1.778 ( 2.872 21.458 6.851) 22.707 2.039 ( 0.250 4.085 -1.282) 4.288 2.464 ( 1.908 7.494 -4.752) 9.077 2.573 ( -2.128 8.078 -4.193) 9.347 2.692 ( 0.330 3.375 -0.004) 3.391 2.856 ( -2.919 5.615 -4.287) 7.644 2.993 ( -3.861 0.527 -2.927) 4.874 3.183 ( 6.470 19.842 5.703) 21.635 3.325 ( -4.357 0.581 -0.057) 4.396 3.396 ( -3.075 3.689 0.716) 4.855 3.411 ( -1.335 2.093 0.180) 2.489 3.635 ( 0.345 4.073 4.534) 6.104 3.777 ( 1.103 0.803 3.395) 3.659 3.970 ( 1.403 5.245 0.457) 5.449 4.159 ( 3.129 -0.168 0.849) 3.246 4.278 ( -2.464 1.805 -1.268) 3.307 4.433 ( 2.299 3.398 -2.644) 4.881 4.648 ( -1.562 3.633 -1.483) 4.224 4.938 ( -0.310 -3.409 -0.224) 3.430 6.741 ( -2.358 0.016 -1.285) 2.686 6.805 ( -1.487 -2.120 -1.849) 3.182 7.228 ( -0.374 -1.240 -4.341) 4.530 7.332 ( 6.184 -1.033 1.031) 6.353 7.407 ( 0.496 0.074 4.397) 4.425 7.845 ( 0.073 -8.786 -0.591) 8.806 8.888 ( -4.155 18.000 3.642) 18.829 9.398 ( -4.369 22.401 -1.994) 22.910 17.397 ( 1.505 17.690 7.890) 19.428 18.171 ( -0.554 -2.662 0.330) 2.739 ======================= Grid point 143 (62/182) ======================= q-point: ( 0.25 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.844 ( 9.845 16.735 3.184) 19.676 1.924 ( 7.237 10.132 7.211) 14.388 2.069 ( 4.340 3.337 0.786) 5.531 2.449 ( -1.157 9.430 -5.655) 11.056 2.497 ( -3.021 7.650 -5.555) 9.925 2.645 ( -6.146 4.513 1.197) 7.718 2.798 ( 0.646 2.536 -3.238) 4.163 2.957 ( 1.022 -1.958 -1.055) 2.447 3.230 ( -4.157 0.678 -1.258) 4.395 3.317 ( -3.728 3.336 0.823) 5.070 3.349 ( 4.058 14.129 6.841) 16.214 3.404 ( -0.383 6.724 0.079) 6.736 3.635 ( -2.876 6.205 2.256) 7.202 3.797 ( 0.604 0.226 0.626) 0.898 4.005 ( 1.068 4.259 0.735) 4.452 4.186 ( -0.703 4.158 -0.391) 4.235 4.250 ( 0.890 6.107 0.584) 6.199 4.458 ( 2.304 5.456 -3.323) 6.791 4.645 ( 1.690 -1.908 0.099) 2.551 4.914 ( -2.091 -0.742 -0.401) 2.255 6.693 ( -2.051 -0.276 -0.731) 2.195 6.762 ( -2.131 -1.072 -0.759) 2.504 7.212 ( 2.125 -0.784 -5.676) 6.111 7.416 ( 1.947 1.134 0.687) 2.356 7.488 ( 4.770 -2.333 5.560) 7.688 7.830 ( -1.017 -9.345 -1.320) 9.493 8.838 ( -3.337 15.872 4.099) 16.728 9.263 ( -8.460 20.716 -2.479) 22.514 17.476 ( 1.852 12.724 6.895) 14.590 18.167 ( -0.253 -3.700 0.662) 3.767 ======================= Grid point 144 (63/182) ======================= q-point: ( 0.38 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.018 ( 6.163 7.030 0.745) 9.379 2.075 ( 6.439 9.165 4.398) 12.034 2.223 ( 6.921 3.176 5.257) 9.253 2.382 ( -3.118 12.406 -6.673) 14.428 2.396 ( -0.944 4.138 -2.267) 4.812 2.525 ( -7.187 5.306 0.701) 8.961 2.807 ( 1.495 1.477 -1.902) 2.834 2.989 ( 1.698 -2.435 1.097) 3.165 3.154 ( -2.267 1.027 -2.903) 3.824 3.268 ( -2.016 2.751 0.677) 3.477 3.370 ( -1.173 6.839 0.592) 6.964 3.450 ( -0.449 5.698 6.910) 8.968 3.587 ( -1.644 9.452 -0.906) 9.636 3.803 ( -0.235 -1.101 0.190) 1.142 4.008 ( -0.059 3.613 -1.227) 3.816 4.159 ( -1.791 9.687 1.047) 9.907 4.310 ( 3.197 9.751 1.536) 10.376 4.468 ( 1.551 6.094 -3.998) 7.452 4.697 ( 3.548 -2.240 0.218) 4.202 4.861 ( -3.533 0.222 0.357) 3.558 6.662 ( -0.916 -1.298 -0.259) 1.610 6.726 ( -1.356 -0.100 -0.048) 1.361 7.232 ( 3.628 0.287 -5.648) 6.720 7.432 ( -0.051 1.194 -1.069) 1.603 7.597 ( 2.314 -3.502 6.765) 7.961 7.808 ( -0.366 -9.021 0.558) 9.046 8.825 ( -0.498 13.872 2.516) 14.107 9.086 ( -8.311 19.055 -2.734) 20.967 17.533 ( 0.053 9.040 5.164) 10.411 18.170 ( -0.036 -4.771 1.369) 4.964 ======================= Grid point 145 (64/182) ======================= q-point: (-0.50 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.074 ( -3.346 8.741 -0.577) 9.378 2.125 ( -0.906 9.155 -2.167) 9.452 2.207 ( -6.849 3.221 -0.112) 7.569 2.347 ( 1.250 12.376 1.040) 12.482 2.455 ( 1.728 -3.502 -1.034) 4.040 2.504 ( 7.327 6.452 5.900) 11.408 2.836 ( 2.713 2.663 -0.195) 3.807 3.018 ( 0.517 -2.363 2.066) 3.182 3.120 ( 0.838 3.237 -4.370) 5.502 3.251 ( -0.171 2.089 0.439) 2.142 3.353 ( -1.713 5.866 1.947) 6.413 3.447 ( -1.987 0.948 3.675) 4.284 3.567 ( -0.970 10.412 -0.939) 10.499 3.811 ( 0.740 0.600 1.051) 1.418 3.991 ( -0.530 2.854 -2.242) 3.668 4.143 ( -0.720 12.272 1.026) 12.335 4.314 ( -2.180 7.502 -1.401) 7.937 4.495 ( 2.457 6.118 -1.493) 6.760 4.765 ( 1.622 -0.754 0.116) 1.792 4.807 ( -0.699 1.247 1.318) 1.944 6.657 ( 0.400 -1.702 0.044) 1.749 6.716 ( 0.243 0.397 0.198) 0.506 7.265 ( 3.107 0.979 -4.654) 5.681 7.398 ( -2.083 -0.102 -3.393) 3.983 7.638 ( -2.279 -4.376 7.335) 8.840 7.844 ( 2.639 -8.591 3.433) 9.621 8.816 ( -2.726 13.794 -0.280) 14.064 8.988 ( 1.219 18.790 -2.041) 18.940 17.535 ( -2.824 8.564 3.770) 9.774 18.180 ( -0.054 -5.224 1.964) 5.582 ======================= Grid point 146 (65/182) ======================= q-point: (-0.38 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.904 ( -9.212 16.900 -3.688) 19.598 1.989 ( -13.231 9.873 0.162) 16.509 2.159 ( 0.523 5.896 2.027) 6.256 2.422 ( 4.896 5.642 -0.203) 7.473 2.514 ( 2.979 -1.535 1.140) 3.540 2.640 ( 4.226 3.750 4.307) 7.105 2.897 ( 2.682 4.985 0.601) 5.692 3.039 ( 1.146 0.137 1.109) 1.601 3.127 ( 2.458 3.646 -3.531) 5.639 3.269 ( 1.163 1.015 1.670) 2.274 3.333 ( -1.484 3.921 2.970) 5.138 3.451 ( 0.792 1.053 0.981) 1.642 3.516 ( -4.105 14.382 -1.766) 15.061 3.808 ( -1.705 3.496 -0.270) 3.899 3.967 ( -1.050 3.157 -1.489) 3.645 4.157 ( 2.542 6.288 -0.485) 6.800 4.279 ( -1.002 3.841 1.056) 4.107 4.495 ( -1.270 4.752 -2.010) 5.313 4.726 ( -2.764 0.205 0.979) 2.939 4.876 ( 3.905 2.159 0.652) 4.509 6.677 ( 1.708 -1.201 0.209) 2.099 6.739 ( 2.121 0.046 0.222) 2.133 7.279 ( 0.787 1.774 -3.673) 4.154 7.326 ( -2.690 -1.801 -4.245) 5.338 7.622 ( -4.100 -4.598 7.618) 9.798 7.906 ( 0.897 -9.305 2.865) 9.777 8.765 ( -0.929 16.263 0.551) 16.299 9.079 ( 8.589 19.726 -2.762) 21.692 17.481 ( -5.186 11.556 3.502) 13.141 18.190 ( -0.291 -4.812 2.072) 5.247 ======================= Grid point 147 (66/182) ======================= q-point: (-0.25 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.725 ( -9.604 18.772 -1.081) 21.114 1.782 ( -7.970 20.859 1.621) 22.388 2.158 ( -2.097 5.796 1.922) 6.456 2.505 ( 4.293 2.921 -0.391) 5.207 2.553 ( 0.955 0.245 0.068) 0.988 2.730 ( 3.318 6.015 3.429) 7.678 2.879 ( -3.474 9.601 -5.049) 11.390 3.108 ( 4.065 2.495 3.978) 6.211 3.154 ( 2.044 2.256 -2.615) 4.013 3.289 ( 0.088 1.773 1.031) 2.053 3.360 ( 2.182 2.649 2.922) 4.507 3.413 ( -4.079 16.623 -0.884) 17.139 3.480 ( 0.949 -0.630 1.897) 2.213 3.768 ( -1.794 4.584 -1.642) 5.189 3.948 ( -0.144 0.282 -0.163) 0.356 4.190 ( 0.142 0.598 -1.440) 1.566 4.267 ( -1.546 2.097 0.948) 2.772 4.465 ( 0.093 4.145 -1.109) 4.292 4.702 ( -0.371 3.512 0.984) 3.666 4.924 ( 1.141 -0.356 -0.166) 1.207 6.719 ( 2.658 -1.074 0.127) 2.870 6.791 ( 3.298 -0.874 0.006) 3.412 7.221 ( -2.787 -0.605 -5.463) 6.163 7.292 ( -0.014 1.175 -1.336) 1.780 7.581 ( -5.631 -5.194 7.072) 10.426 7.896 ( -2.501 -8.434 0.418) 8.806 8.807 ( 3.690 17.719 2.940) 18.337 9.232 ( 9.588 21.758 -3.289) 24.003 17.402 ( -5.680 16.490 4.446) 17.998 18.194 ( -0.567 -3.796 1.713) 4.203 ======================= Grid point 148 (67/182) ======================= q-point: (-0.12 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.573 ( -5.550 20.830 0.422) 21.560 1.717 ( -2.191 27.895 4.499) 28.340 2.109 ( -3.928 7.957 1.360) 8.977 2.553 ( -0.072 0.761 -3.332) 3.418 2.573 ( 2.809 0.516 1.226) 3.108 2.748 ( -5.272 17.307 -6.177) 19.117 2.808 ( 3.273 9.570 3.398) 10.669 3.096 ( -1.932 5.021 -8.875) 10.378 3.200 ( 0.760 7.550 1.748) 7.787 3.338 ( 2.646 0.644 2.192) 3.496 3.372 ( -0.326 9.086 4.692) 10.231 3.449 ( 4.061 -3.298 3.367) 6.221 3.514 ( 1.554 -0.386 3.797) 4.121 3.708 ( -3.590 3.772 -2.094) 5.612 3.954 ( 0.253 0.200 0.730) 0.798 4.139 ( -3.336 2.640 -0.112) 4.256 4.273 ( 2.391 -0.131 -1.159) 2.660 4.455 ( -1.145 1.829 -1.620) 2.698 4.718 ( 0.751 8.076 0.269) 8.115 4.927 ( -0.061 -4.723 -0.415) 4.742 6.766 ( 2.225 -1.696 -0.407) 2.827 6.841 ( 1.753 -1.915 -1.047) 2.799 7.162 ( 0.635 -0.372 -4.695) 4.752 7.289 ( -0.037 2.719 0.196) 2.726 7.497 ( -7.297 -5.246 5.029) 10.299 7.854 ( -1.601 -7.289 0.159) 7.464 8.893 ( 2.621 18.481 3.342) 18.963 9.369 ( 6.962 23.030 -2.748) 24.215 17.344 ( -3.909 20.513 6.100) 21.755 18.190 ( -0.741 -2.758 1.102) 3.062 ======================= Grid point 149 (68/182) ======================= q-point: ( 0.00 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.974 ( 1.549 19.557 -1.321) 19.663 2.179 ( -2.066 8.074 -0.743) 8.367 2.327 ( -3.774 24.289 4.419) 24.975 2.519 ( 1.628 -0.346 2.160) 2.726 2.693 ( 3.255 5.696 -1.345) 6.697 2.834 ( -2.639 6.457 -6.267) 9.377 3.070 ( -2.086 5.336 -9.090) 10.744 3.138 ( -2.278 3.268 -1.876) 4.403 3.310 ( 2.881 -4.052 4.048) 6.411 3.370 ( -0.769 -3.756 2.732) 4.708 3.418 ( 0.998 1.945 2.256) 3.142 3.476 ( -1.132 9.571 4.436) 10.610 3.682 ( 0.404 1.601 -0.624) 1.765 3.810 ( 3.826 12.693 4.469) 13.990 4.053 ( 1.421 4.411 -0.103) 4.635 4.166 ( -2.935 2.876 -0.362) 4.125 4.247 ( 2.037 -4.058 0.476) 4.566 4.432 ( 0.333 -0.719 -1.046) 1.312 4.792 ( -4.224 -2.827 -0.344) 5.095 4.901 ( 2.410 5.171 -1.005) 5.793 6.766 ( -0.389 -0.162 -0.736) 0.848 6.818 ( 0.627 -0.052 -1.651) 1.767 7.206 ( 4.239 0.833 -1.330) 4.520 7.267 ( -3.901 -2.172 -0.474) 4.490 7.389 ( -0.811 1.009 3.660) 3.882 7.727 ( -0.481 -4.085 -0.327) 4.126 9.320 ( -1.524 19.233 2.865) 19.505 9.838 ( 1.747 14.744 -3.579) 15.273 17.769 ( 0.069 19.286 0.501) 19.292 18.194 ( -0.308 2.847 -0.746) 2.959 ======================= Grid point 150 (69/182) ======================= q-point: ( 0.12 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.032 ( 5.029 16.095 -0.510) 16.870 2.119 ( -2.300 7.690 -2.633) 8.447 2.279 ( -3.433 21.091 4.562) 21.850 2.591 ( 2.943 3.110 4.275) 6.050 2.712 ( -3.176 5.238 -0.925) 6.195 2.774 ( 1.319 5.895 -3.455) 6.959 2.975 ( -1.702 7.171 -7.486) 10.506 2.995 ( -7.560 1.233 -5.117) 9.211 3.301 ( -4.654 -2.475 1.166) 5.398 3.346 ( -2.370 -5.106 2.180) 6.037 3.504 ( 0.645 5.511 3.254) 6.433 3.543 ( 4.336 11.535 4.808) 13.228 3.709 ( 4.027 0.056 -0.986) 4.147 3.883 ( 0.107 9.351 3.070) 9.843 4.077 ( 1.336 3.892 1.732) 4.465 4.144 ( 1.275 0.177 -0.982) 1.619 4.273 ( 0.596 -1.499 0.639) 1.735 4.465 ( 3.504 -0.657 -1.370) 3.820 4.706 ( -3.451 1.631 -0.493) 3.848 4.948 ( 2.611 3.830 -0.905) 4.723 6.737 ( -2.044 -0.479 -0.798) 2.246 6.818 ( 0.383 2.690 -1.661) 3.185 7.202 ( -1.466 -1.566 -2.029) 2.952 7.297 ( 5.449 -1.518 0.318) 5.665 7.412 ( 0.534 0.751 3.994) 4.099 7.712 ( -0.870 -4.528 -1.059) 4.731 9.268 ( -5.590 18.476 2.798) 19.505 9.782 ( -5.424 13.915 -3.356) 15.307 17.773 ( 0.047 17.506 0.568) 17.515 18.177 ( -0.971 2.484 -0.847) 2.799 ======================= Grid point 151 (70/182) ======================= q-point: ( 0.25 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.077 ( 1.642 6.743 -2.357) 7.330 2.158 ( 6.074 11.918 2.405) 13.591 2.277 ( -0.075 14.440 4.353) 15.082 2.595 ( -5.593 4.141 0.299) 6.966 2.662 ( 0.223 6.497 0.537) 6.523 2.734 ( -4.760 4.988 -0.891) 6.952 2.869 ( -2.174 0.803 -5.198) 5.691 2.960 ( 2.655 8.803 -2.948) 9.655 3.214 ( -3.967 -1.962 -1.729) 4.751 3.317 ( -1.747 -3.093 1.424) 3.828 3.504 ( -2.291 5.214 1.865) 5.993 3.577 ( -1.729 5.898 4.074) 7.374 3.785 ( 2.064 4.226 -0.845) 4.779 3.855 ( -2.893 5.911 0.393) 6.593 4.099 ( 0.228 4.359 -0.965) 4.471 4.201 ( 3.884 -0.989 2.115) 4.532 4.310 ( 3.332 -0.912 1.677) 3.840 4.505 ( 1.892 -2.058 -3.407) 4.408 4.698 ( 2.584 7.552 1.797) 8.182 4.974 ( 0.726 5.781 -0.997) 5.912 6.691 ( -2.331 0.078 -0.570) 2.401 6.809 ( -0.299 5.111 -1.367) 5.299 7.191 ( 1.847 -1.964 -3.136) 4.136 7.395 ( 4.221 -2.835 0.514) 5.111 7.456 ( 1.535 -0.092 4.929) 5.163 7.680 ( -1.688 -5.162 -1.182) 5.558 9.175 ( -5.735 16.349 2.811) 17.552 9.615 ( -10.005 12.707 -3.314) 16.509 17.776 ( -0.038 14.883 0.429) 14.889 18.153 ( -1.027 1.658 -0.485) 2.010 ======================= Grid point 152 (71/182) ======================= q-point: ( 0.38 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.137 ( 4.971 5.802 1.374) 7.763 2.256 ( 0.679 1.840 0.867) 2.144 2.298 ( 0.728 8.526 1.243) 8.647 2.507 ( -3.825 5.094 2.763) 6.944 2.637 ( -1.572 11.398 -4.884) 12.499 2.672 ( -1.098 10.320 1.375) 10.469 2.841 ( 0.964 -1.691 -0.742) 2.083 2.976 ( -0.628 5.886 1.149) 6.030 3.159 ( 0.150 -0.787 -3.965) 4.046 3.303 ( -0.628 -0.901 0.339) 1.150 3.463 ( -2.401 2.972 0.477) 3.850 3.554 ( -3.301 5.405 2.887) 6.960 3.753 ( -2.418 4.790 -1.651) 5.614 3.832 ( -0.777 3.089 2.835) 4.264 4.092 ( 0.208 4.384 -2.881) 5.250 4.258 ( 1.065 2.800 1.695) 3.442 4.399 ( 3.180 -4.175 1.725) 5.524 4.507 ( 1.642 -2.112 -3.392) 4.320 4.798 ( 6.008 10.486 1.961) 12.243 4.954 ( -2.551 8.698 -0.765) 9.096 6.655 ( -1.219 0.658 -0.293) 1.416 6.796 ( -0.248 6.468 -0.626) 6.502 7.219 ( 3.238 -2.584 -4.002) 5.760 7.430 ( -0.127 -1.271 -1.535) 1.997 7.525 ( 1.586 -2.651 5.609) 6.403 7.655 ( -0.358 -5.535 1.451) 5.733 9.113 ( -2.412 13.711 1.914) 14.053 9.412 ( -8.964 12.022 -3.008) 15.295 17.776 ( -0.166 12.952 0.140) 12.954 18.138 ( -0.454 0.839 0.144) 0.965 ======================= Grid point 153 (72/182) ======================= q-point: (-0.50 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.209 ( -2.270 2.514 -1.373) 3.655 2.243 ( 3.243 3.503 2.916) 5.594 2.293 ( -2.701 3.075 0.290) 4.103 2.459 ( -3.025 6.891 0.482) 7.542 2.609 ( 0.925 6.744 -3.607) 7.704 2.675 ( 0.323 14.503 2.486) 14.718 2.899 ( 4.948 1.562 2.103) 5.598 2.986 ( 0.614 2.852 3.823) 4.809 3.165 ( 2.787 0.348 -3.898) 4.804 3.283 ( -1.390 -0.463 -1.102) 1.833 3.432 ( -1.234 2.434 -0.036) 2.729 3.503 ( -2.572 5.155 0.620) 5.794 3.729 ( 0.798 4.827 -0.984) 4.990 3.861 ( 0.961 2.694 5.926) 6.581 4.061 ( -1.113 3.321 -4.814) 5.953 4.273 ( -0.619 3.370 1.250) 3.647 4.393 ( -2.412 -1.036 -1.882) 3.230 4.548 ( 2.806 -2.766 -0.434) 3.964 4.870 ( -5.173 7.799 0.073) 9.359 4.916 ( 4.634 11.370 0.915) 12.312 6.645 ( 0.311 0.732 -0.038) 0.796 6.797 ( 0.608 7.011 -0.070) 7.038 7.247 ( 2.186 -4.067 -4.042) 6.136 7.383 ( -2.619 -0.302 -3.558) 4.428 7.559 ( -1.564 -2.887 5.800) 6.665 7.694 ( 2.069 -5.911 3.952) 7.406 9.094 ( -1.333 12.824 0.486) 12.902 9.311 ( 1.200 12.107 -2.334) 12.388 17.773 ( -0.246 12.830 -0.088) 12.833 18.140 ( 0.373 0.503 0.637) 0.893 ======================= Grid point 154 (73/182) ======================= q-point: (-0.38 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.180 ( -1.085 7.517 -2.242) 7.919 2.223 ( -4.248 10.044 -0.315) 10.910 2.250 ( -2.758 4.981 5.115) 7.654 2.457 ( 2.728 1.217 -0.752) 3.081 2.593 ( -0.344 3.987 -2.537) 4.738 2.744 ( 4.849 10.073 4.055) 11.892 3.007 ( 3.284 6.718 0.347) 7.485 3.033 ( 2.870 0.259 4.358) 5.224 3.187 ( 1.582 0.683 -4.030) 4.383 3.263 ( 0.073 -1.978 0.697) 2.098 3.415 ( -0.071 4.732 -0.384) 4.748 3.490 ( 0.614 4.038 0.302) 4.095 3.753 ( 2.060 6.688 -1.874) 7.244 3.918 ( -0.125 3.072 6.426) 7.124 3.998 ( -2.067 0.660 -5.615) 6.020 4.231 ( -3.117 3.142 -2.113) 4.904 4.347 ( -1.963 2.536 1.146) 3.405 4.564 ( -0.769 -0.904 -1.693) 2.068 4.775 ( -4.554 5.988 1.826) 7.741 4.984 ( 1.956 7.328 0.168) 7.587 6.665 ( 1.817 0.395 0.138) 1.864 6.813 ( 1.010 6.260 -0.335) 6.350 7.237 ( -1.111 -5.946 -3.466) 6.971 7.323 ( -0.930 1.848 -3.155) 3.773 7.547 ( -3.577 -2.661 5.920) 7.411 7.747 ( 0.816 -6.324 3.012) 7.052 9.091 ( 1.631 15.078 1.187) 15.213 9.414 ( 10.225 12.325 -2.920) 16.278 17.768 ( -0.207 14.585 -0.103) 14.586 18.157 ( 0.981 0.864 0.691) 1.479 ======================= Grid point 155 (74/182) ======================= q-point: (-0.25 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.085 ( -5.495 16.559 -2.263) 17.593 2.178 ( -1.314 11.373 1.400) 11.534 2.296 ( 2.302 10.914 6.181) 12.752 2.506 ( 1.754 -2.057 -0.367) 2.728 2.583 ( 2.121 1.296 -2.619) 3.610 2.862 ( 4.970 9.256 1.239) 10.579 3.009 ( -0.818 5.116 -0.987) 5.274 3.133 ( 4.347 0.861 2.365) 5.023 3.208 ( 3.517 0.165 -2.213) 4.158 3.268 ( -0.381 -2.398 0.881) 2.583 3.435 ( 1.603 6.056 1.067) 6.355 3.507 ( 0.139 4.077 0.995) 4.199 3.765 ( 0.469 9.974 -2.995) 10.425 3.855 ( -7.883 -0.305 0.413) 7.899 3.964 ( 0.775 5.460 -1.443) 5.701 4.195 ( 0.449 1.262 -1.155) 1.769 4.311 ( -3.440 2.326 1.938) 4.582 4.514 ( -2.631 -0.154 -1.981) 3.297 4.748 ( -0.068 1.691 2.898) 3.356 4.986 ( -1.453 4.965 -0.791) 5.234 6.709 ( 2.689 0.084 0.125) 2.693 6.824 ( 0.619 3.344 -1.173) 3.597 7.183 ( -1.647 -2.845 -3.024) 4.466 7.312 ( 0.712 1.236 -1.294) 1.926 7.499 ( -5.451 -2.713 5.368) 8.117 7.755 ( -0.960 -5.558 1.012) 5.731 9.173 ( 5.313 17.393 2.820) 18.403 9.602 ( 11.717 13.503 -3.835) 18.285 17.765 ( -0.086 17.206 0.063) 17.206 18.180 ( 1.056 1.712 0.314) 2.036 ======================= Grid point 156 (75/182) ======================= q-point: (-0.12 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.994 ( -2.574 19.576 -2.047) 19.851 2.185 ( 0.356 11.670 2.098) 11.862 2.346 ( -1.203 18.972 5.021) 19.662 2.507 ( -0.618 -3.024 0.999) 3.244 2.642 ( 4.481 4.038 -3.325) 6.888 2.901 ( 0.169 6.974 -5.582) 8.934 3.034 ( 4.792 5.224 2.373) 7.476 3.168 ( -0.455 1.781 -5.190) 5.506 3.266 ( 2.344 -0.387 -0.042) 2.376 3.305 ( 3.921 -3.872 3.061) 6.304 3.454 ( -1.633 3.244 0.598) 3.681 3.492 ( -3.033 6.315 4.988) 8.600 3.713 ( -3.895 -0.126 -0.934) 4.007 3.758 ( -0.920 14.141 0.547) 14.181 4.004 ( 3.850 4.726 -0.863) 6.156 4.204 ( 0.312 1.748 0.359) 1.811 4.248 ( -3.700 -0.668 0.415) 3.783 4.459 ( -2.131 -1.269 -1.287) 2.794 4.792 ( 2.257 -1.760 2.462) 3.776 4.929 ( -3.305 4.904 -1.973) 6.234 6.754 ( 1.923 0.221 -0.097) 1.938 6.821 ( 0.200 -0.207 -1.837) 1.859 7.163 ( 1.357 0.437 -2.118) 2.553 7.316 ( -0.422 0.050 -0.387) 0.575 7.421 ( -5.526 -1.513 4.265) 7.142 7.739 ( -0.862 -4.392 0.096) 4.477 9.281 ( 3.572 18.760 3.246) 19.371 9.766 ( 8.303 14.599 -3.963) 17.256 17.765 ( 0.025 19.161 0.300) 19.164 18.195 ( 0.538 2.533 -0.270) 2.604 ======================= Grid point 157 (76/182) ======================= q-point: ( 0.00 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.282 ( -1.415 6.679 -0.866) 6.882 2.374 ( -0.313 14.883 -1.754) 14.989 2.474 ( 0.850 -2.384 4.288) 4.979 2.722 ( 2.355 8.618 0.122) 8.935 2.838 ( -0.980 7.697 1.414) 7.887 2.968 ( -3.712 5.515 -4.975) 8.304 3.104 ( -2.617 -2.121 -4.986) 6.017 3.162 ( 1.205 0.907 -0.862) 1.737 3.194 ( 2.377 -4.134 3.449) 5.885 3.382 ( 1.748 0.006 4.379) 4.715 3.418 ( -1.925 4.280 -0.048) 4.694 3.667 ( 1.651 6.467 2.484) 7.122 3.724 ( 0.416 3.729 -1.889) 4.200 3.972 ( 1.200 -1.829 -0.975) 2.395 4.102 ( -0.854 -1.547 -0.010) 1.767 4.152 ( 1.521 2.165 1.705) 3.148 4.273 ( -1.454 3.898 0.233) 4.167 4.391 ( -0.235 -2.880 -0.821) 3.004 4.781 ( -1.255 3.102 2.036) 3.917 4.959 ( 1.384 -0.464 -1.000) 1.769 6.772 ( -0.913 0.766 -1.029) 1.575 6.814 ( 1.806 -0.561 -0.651) 2.000 7.217 ( 1.810 -0.008 -0.264) 1.829 7.230 ( -2.145 -1.078 -0.835) 2.541 7.450 ( -0.686 4.622 2.492) 5.296 7.650 ( -0.585 -3.882 0.267) 3.935 9.692 ( -0.914 16.167 1.057) 16.228 10.019 ( 1.149 2.683 -3.188) 4.323 18.097 ( 0.637 12.046 -3.451) 12.547 18.260 ( 0.227 2.459 -2.559) 3.556 ======================= Grid point 158 (77/182) ======================= q-point: ( 0.12 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.247 ( -1.346 7.681 -0.892) 7.849 2.369 ( 0.552 13.445 -1.267) 13.516 2.516 ( 0.753 -0.803 3.829) 3.984 2.684 ( -6.024 6.429 2.225) 9.087 2.775 ( -7.063 1.622 2.076) 7.539 2.901 ( 0.900 3.870 -5.370) 6.680 3.020 ( -2.586 4.357 -5.121) 7.204 3.180 ( 1.809 5.809 0.014) 6.084 3.227 ( -0.878 -4.463 3.068) 5.487 3.310 ( -6.185 8.082 -1.906) 10.354 3.541 ( 7.330 -4.378 3.344) 9.169 3.656 ( -4.557 0.829 -0.717) 4.686 3.766 ( 5.898 6.968 1.791) 9.303 3.966 ( -1.726 -3.021 -0.536) 3.521 4.110 ( -0.043 0.539 2.474) 2.532 4.172 ( 0.662 0.976 -1.781) 2.135 4.273 ( 1.340 1.977 0.201) 2.397 4.397 ( 1.218 -4.880 -1.102) 5.149 4.798 ( 2.449 7.429 2.303) 8.154 5.007 ( 3.913 0.482 -0.632) 3.993 6.747 ( -1.172 1.626 -0.849) 2.177 6.851 ( 2.662 -0.529 -0.798) 2.829 7.178 ( -1.999 0.293 -0.701) 2.139 7.268 ( 3.014 -1.908 -0.275) 3.578 7.459 ( 0.009 3.830 2.740) 4.709 7.634 ( -1.223 -3.610 -0.357) 3.829 9.626 ( -6.523 15.640 0.898) 16.969 9.950 ( -6.398 2.258 -3.037) 7.433 18.076 ( -0.513 11.302 -3.515) 11.847 18.235 ( -1.040 2.158 -2.634) 3.561 ======================= Grid point 159 (78/182) ======================= q-point: ( 0.25 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.233 ( 0.003 8.469 0.387) 8.478 2.361 ( -1.393 7.200 0.293) 7.339 2.499 ( -6.586 5.119 0.357) 8.349 2.615 ( 0.117 -2.420 5.470) 5.983 2.698 ( -2.618 1.155 0.786) 2.968 2.882 ( 0.548 5.209 -4.323) 6.791 2.944 ( -2.518 7.638 -3.983) 8.974 3.167 ( -4.309 0.659 -0.261) 4.367 3.203 ( -1.721 -0.291 -1.632) 2.389 3.267 ( 2.184 9.850 1.078) 10.147 3.551 ( -5.096 -3.356 -0.054) 6.101 3.649 ( 1.720 2.402 3.087) 4.273 3.873 ( 1.541 4.147 -1.357) 4.627 3.900 ( -2.494 -0.247 0.317) 2.526 4.140 ( 1.438 -4.313 6.007) 7.533 4.168 ( 1.089 1.345 -4.515) 4.835 4.308 ( 1.881 1.332 -0.180) 2.312 4.410 ( 1.001 -5.490 -1.127) 5.693 4.893 ( 5.724 9.788 2.047) 11.522 5.078 ( 3.946 2.674 -0.607) 4.805 6.723 ( -0.911 3.397 -0.391) 3.539 6.897 ( 3.005 0.945 -1.543) 3.507 7.148 ( -0.865 -0.046 -0.650) 1.083 7.322 ( 2.918 -4.266 -0.236) 5.174 7.483 ( 0.619 2.464 3.233) 4.112 7.602 ( -1.819 -2.954 -0.299) 3.482 9.491 ( -8.107 13.715 0.932) 15.960 9.770 ( -10.610 2.234 -2.804) 11.199 18.042 ( -0.793 10.220 -3.201) 10.739 18.197 ( -1.340 1.584 -2.211) 3.032 ======================= Grid point 160 (79/182) ======================= q-point: ( 0.38 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.230 ( -1.497 3.171 0.216) 3.514 2.343 ( -0.718 4.734 1.434) 4.998 2.369 ( -5.777 1.233 0.628) 5.940 2.647 ( -0.892 7.126 0.045) 7.182 2.716 ( 2.882 -4.810 2.798) 6.267 2.842 ( -0.528 8.119 -4.393) 9.247 2.940 ( 2.684 9.536 1.497) 10.019 3.096 ( -2.466 -0.042 -0.632) 2.546 3.156 ( -2.227 0.580 -1.888) 2.977 3.302 ( 0.638 6.615 0.510) 6.665 3.473 ( -3.189 -2.741 0.346) 4.219 3.657 ( -1.788 1.508 0.071) 2.340 3.812 ( -3.092 3.227 0.121) 4.471 3.910 ( 0.356 5.700 1.354) 5.870 4.135 ( -0.908 -2.266 -6.987) 7.401 4.243 ( 4.090 -6.351 6.990) 10.292 4.335 ( 0.958 1.894 1.100) 2.391 4.423 ( 1.059 -4.253 -1.324) 4.578 4.999 ( 4.237 8.822 0.661) 9.809 5.128 ( 1.763 5.461 -0.924) 5.812 6.710 ( -0.410 5.033 -0.259) 5.057 6.934 ( 2.073 3.715 -2.014) 4.707 7.138 ( 0.192 -2.380 -0.972) 2.578 7.360 ( 1.389 -5.416 -1.277) 5.736 7.515 ( 0.380 1.097 3.661) 3.841 7.578 ( -0.791 -2.269 1.691) 2.938 9.372 ( -4.839 10.938 0.640) 11.978 9.568 ( -8.617 3.047 -2.368) 9.442 18.015 ( -0.076 9.432 -2.721) 9.817 18.167 ( -0.503 1.055 -1.534) 1.929 ======================= Grid point 161 (80/182) ======================= q-point: (-0.50 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.202 ( 0.544 -0.125 -2.229) 2.298 2.277 ( -3.070 -2.543 0.557) 4.026 2.381 ( 0.858 7.463 3.225) 8.175 2.632 ( -0.730 -0.229 -1.644) 1.813 2.679 ( -4.277 8.560 -2.005) 9.777 2.919 ( 6.071 2.850 3.112) 7.393 2.996 ( 2.303 12.421 1.661) 12.742 3.072 ( -1.963 0.807 2.387) 3.194 3.136 ( 2.938 -2.563 -2.311) 4.532 3.299 ( -0.618 6.180 -0.091) 6.212 3.447 ( 0.250 -1.752 0.310) 1.797 3.625 ( -0.930 3.262 -1.001) 3.536 3.757 ( -1.529 0.254 -1.914) 2.463 3.949 ( 1.043 6.277 3.894) 7.460 4.051 ( -3.121 -3.982 -6.606) 8.321 4.336 ( 0.640 0.841 4.319) 4.447 4.363 ( 1.687 -1.270 2.884) 3.574 4.429 ( 0.605 -5.620 -1.043) 5.748 5.031 ( -1.383 7.856 -0.486) 7.992 5.132 ( -0.076 6.516 -1.525) 6.693 6.703 ( -0.048 5.181 -0.408) 5.197 6.947 ( 0.614 3.938 -2.068) 4.490 7.135 ( 0.235 -3.037 -1.283) 3.305 7.354 ( -0.543 -3.683 -2.243) 4.346 7.534 ( -1.072 0.353 3.997) 4.153 7.600 ( 1.068 -3.224 3.451) 4.842 9.329 ( -0.295 9.619 0.129) 9.625 9.476 ( 0.985 3.829 -1.863) 4.371 18.010 ( 1.238 9.407 -2.328) 9.769 18.163 ( 0.967 0.879 -1.009) 1.651 ======================= Grid point 162 (81/182) ======================= q-point: (-0.38 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.251 ( 3.662 0.151 0.327) 3.679 2.262 ( 3.529 0.486 -1.603) 3.906 2.407 ( 0.050 5.441 3.878) 6.681 2.557 ( -4.362 1.617 -2.861) 5.462 2.631 ( -1.144 6.790 -1.266) 7.001 3.017 ( 3.398 0.985 -0.320) 3.552 3.060 ( 0.872 10.136 4.929) 11.304 3.085 ( 3.782 1.262 2.614) 4.767 3.173 ( 0.784 -0.440 -1.253) 1.543 3.303 ( 0.980 7.859 0.168) 7.922 3.487 ( 3.891 1.131 -0.033) 4.052 3.591 ( -1.828 4.881 -1.081) 5.323 3.776 ( 4.378 -4.782 -1.180) 6.590 3.892 ( -5.626 -5.786 -6.886) 10.609 4.026 ( 0.495 6.313 3.865) 7.418 4.333 ( -1.687 4.957 1.067) 5.344 4.389 ( -1.504 1.300 1.947) 2.783 4.447 ( 0.968 -8.853 1.393) 9.015 4.949 ( -6.124 9.126 -0.872) 11.025 5.110 ( -1.638 3.476 -1.518) 4.132 6.708 ( 0.912 4.000 -0.176) 4.107 6.924 ( -1.602 0.942 -2.593) 3.190 7.137 ( 0.703 -0.495 -0.715) 1.118 7.328 ( -0.653 -2.127 -1.695) 2.797 7.523 ( -2.692 0.652 4.002) 4.867 7.638 ( 0.703 -4.308 2.747) 5.157 9.371 ( 4.952 11.641 0.590) 12.665 9.575 ( 10.068 3.224 -2.184) 10.795 18.031 ( 2.410 10.156 -2.227) 10.673 18.188 ( 2.215 1.179 -0.944) 2.681 ======================= Grid point 163 (82/182) ======================= q-point: (-0.25 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.281 ( 0.915 3.629 2.006) 4.247 2.374 ( 3.595 6.477 -0.556) 7.429 2.470 ( 0.570 1.430 -1.139) 1.915 2.499 ( 6.382 4.544 3.285) 8.496 2.610 ( 0.543 4.014 -2.042) 4.536 3.046 ( 2.057 -7.701 -3.449) 8.685 3.109 ( 0.524 8.472 0.328) 8.494 3.164 ( 0.040 7.303 6.314) 9.654 3.173 ( 1.577 3.604 -0.675) 3.991 3.316 ( 1.388 6.328 -0.242) 6.483 3.560 ( 1.437 5.579 -0.504) 5.783 3.577 ( 1.346 -0.972 1.144) 2.017 3.736 ( -5.678 -4.900 -4.692) 8.847 3.865 ( 5.643 -2.616 -2.543) 6.720 4.054 ( 0.020 4.257 3.550) 5.543 4.292 ( -2.809 4.718 -2.230) 5.926 4.351 ( -3.786 1.024 3.191) 5.056 4.451 ( -1.227 -4.530 0.164) 4.696 4.840 ( -4.844 7.240 0.888) 8.756 5.052 ( -3.485 0.442 -1.565) 3.846 6.733 ( 1.793 2.461 0.089) 3.046 6.869 ( -2.368 -0.566 -2.516) 3.501 7.152 ( 1.327 1.276 -0.478) 1.902 7.311 ( -0.672 -2.329 -0.758) 2.540 7.489 ( -3.304 2.182 3.465) 5.262 7.654 ( -0.179 -4.447 1.402) 4.666 9.503 ( 8.029 14.067 1.371) 16.255 9.772 ( 12.169 2.915 -2.870) 12.838 18.065 ( 2.739 11.238 -2.504) 11.835 18.226 ( 2.525 1.780 -1.370) 3.379 ======================= Grid point 164 (83/182) ======================= q-point: (-0.12 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.298 ( -0.173 6.003 0.594) 6.035 2.393 ( -0.348 13.610 -0.520) 13.625 2.449 ( -0.680 -1.390 2.161) 2.658 2.644 ( 4.333 5.560 -0.627) 7.077 2.735 ( 12.024 4.621 1.467) 12.965 3.035 ( -1.054 0.291 -4.002) 4.149 3.117 ( 0.994 0.572 -1.231) 1.682 3.138 ( -1.689 3.630 1.502) 4.276 3.202 ( -0.174 0.437 -0.769) 0.901 3.373 ( 2.379 7.319 2.012) 7.955 3.468 ( -7.394 -3.298 0.210) 8.099 3.629 ( 2.394 3.115 0.474) 3.957 3.703 ( 1.530 4.007 0.302) 4.300 3.937 ( 3.701 0.185 -2.504) 4.472 4.080 ( 1.381 0.479 2.679) 3.051 4.199 ( -5.203 1.552 -2.212) 5.863 4.307 ( -2.643 3.932 1.694) 5.032 4.416 ( -1.923 -2.319 -0.499) 3.054 4.795 ( -1.787 3.220 2.362) 4.375 4.981 ( -2.686 -0.785 -1.584) 3.216 6.768 ( 1.698 1.108 0.141) 2.033 6.818 ( -1.427 -0.461 -2.111) 2.590 7.179 ( 1.964 1.363 -0.402) 2.424 7.282 ( -2.252 -2.792 -0.508) 3.623 7.457 ( -2.008 4.273 2.730) 5.453 7.655 ( -0.384 -4.144 0.736) 4.227 9.642 ( 5.335 15.567 1.440) 16.519 9.948 ( 8.431 2.929 -3.217) 9.487 18.093 ( 1.998 12.020 -3.021) 12.554 18.256 ( 1.707 2.310 -2.036) 3.521 ======================= Grid point 165 (84/182) ======================= q-point: ( 0.00 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.388 ( -0.376 -4.468 2.381) 5.077 2.388 ( -0.376 4.468 2.381) 5.077 2.675 ( 0.685 -11.000 -3.836) 11.670 2.675 ( 0.685 11.000 -3.836) 11.670 2.945 ( -0.907 -3.986 2.872) 4.996 2.945 ( -0.907 3.987 2.872) 4.996 3.143 ( -0.985 -1.643 -2.791) 3.385 3.143 ( -0.985 1.643 -2.791) 3.385 3.255 ( 1.598 -7.937 2.300) 8.417 3.255 ( 1.598 7.937 2.300) 8.417 3.638 ( -0.766 -9.865 1.575) 10.020 3.638 ( -0.766 9.865 1.575) 10.020 3.835 ( 1.813 -6.515 -3.463) 7.598 3.835 ( 1.813 6.515 -3.463) 7.598 4.137 ( -0.338 -3.110 2.272) 3.866 4.137 ( -0.338 3.110 2.272) 3.866 4.338 ( -1.547 -2.353 -0.841) 2.938 4.338 ( -1.546 2.353 -0.841) 2.938 4.888 ( 1.077 -5.632 0.902) 5.805 4.888 ( 1.077 5.632 0.902) 5.805 6.794 ( 0.338 -1.210 -0.781) 1.480 6.794 ( 0.338 1.210 -0.781) 1.480 7.217 ( -0.045 -0.309 -0.468) 0.563 7.217 ( -0.045 0.309 -0.468) 0.563 7.556 ( -0.663 -5.164 1.378) 5.386 7.556 ( -0.664 5.165 1.378) 5.386 9.954 ( 0.122 -8.551 -1.351) 8.658 9.954 ( 0.122 8.551 -1.351) 8.658 18.256 ( 0.634 -3.501 -4.027) 5.374 18.256 ( 0.634 3.502 -4.027) 5.374 ======================= Grid point 167 (85/182) ======================= q-point: ( 0.12 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.400 ( 0.007 -6.667 2.517) 7.127 2.400 ( 0.007 6.668 2.517) 7.127 2.629 ( -4.067 -8.734 -2.275) 9.899 2.629 ( -4.067 8.734 -2.275) 9.899 2.865 ( -4.784 -5.166 0.750) 7.081 2.865 ( -4.784 5.166 0.750) 7.081 3.129 ( -0.934 -5.128 -1.740) 5.495 3.129 ( -0.934 5.128 -1.740) 5.496 3.342 ( 3.407 -10.077 1.659) 10.766 3.342 ( 3.407 10.077 1.659) 10.766 3.584 ( -2.946 -9.960 0.165) 10.388 3.584 ( -2.947 9.960 0.165) 10.388 3.874 ( 2.758 -4.037 -1.169) 5.027 3.874 ( 2.758 4.037 -1.169) 5.027 4.143 ( -0.474 -2.934 1.177) 3.196 4.143 ( -0.474 2.934 1.177) 3.196 4.321 ( 0.275 -2.449 -0.785) 2.586 4.321 ( 0.275 2.449 -0.785) 2.586 4.950 ( 4.657 -5.814 1.139) 7.536 4.950 ( 4.657 5.814 1.139) 7.536 6.802 ( 1.043 -3.307 -0.662) 3.530 6.802 ( 1.043 3.307 -0.662) 3.530 7.217 ( 0.262 -2.746 -0.386) 2.785 7.217 ( 0.262 2.746 -0.386) 2.786 7.550 ( -0.814 -4.494 1.090) 4.695 7.550 ( -0.814 4.495 1.089) 4.696 9.882 ( -6.810 -8.465 -1.374) 10.951 9.882 ( -6.810 8.465 -1.374) 10.951 18.228 ( -0.853 -3.496 -4.114) 5.466 18.228 ( -0.853 3.497 -4.114) 5.466 ======================= Grid point 169 (86/182) ======================= q-point: ( 0.25 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.398 ( -3.596 -5.599 2.594) 7.142 2.398 ( -3.596 5.599 2.594) 7.142 2.531 ( -3.437 -2.680 0.200) 4.363 2.531 ( -3.438 2.680 0.200) 4.364 2.829 ( 0.665 -7.840 -1.515) 8.013 2.829 ( 0.665 7.841 -1.515) 8.013 3.085 ( -2.228 -6.245 -2.433) 7.063 3.085 ( -2.228 6.245 -2.433) 7.063 3.336 ( -3.325 -9.707 1.483) 10.367 3.336 ( -3.325 9.707 1.483) 10.367 3.578 ( 0.236 -9.237 -0.511) 9.254 3.578 ( 0.236 9.237 -0.511) 9.254 3.913 ( 2.055 -2.865 1.844) 3.978 3.913 ( 2.055 2.865 1.844) 3.978 4.126 ( -1.297 -3.815 -1.866) 4.441 4.126 ( -1.297 3.815 -1.866) 4.441 4.339 ( 1.544 -1.607 0.669) 2.327 4.339 ( 1.544 1.607 0.669) 2.327 5.054 ( 5.633 -4.979 0.565) 7.539 5.054 ( 5.633 4.979 0.565) 7.539 6.825 ( 1.824 -5.807 -0.490) 6.106 6.825 ( 1.824 5.807 -0.489) 6.107 7.220 ( 0.388 -5.319 -0.659) 5.374 7.220 ( 0.388 5.319 -0.659) 5.374 7.543 ( -0.741 -2.977 1.384) 3.366 7.543 ( -0.742 2.977 1.384) 3.366 9.714 ( -9.908 -7.306 -1.188) 12.368 9.714 ( -9.908 7.306 -1.188) 12.368 18.184 ( -1.215 -3.463 -3.658) 5.182 18.184 ( -1.215 3.464 -3.658) 5.182 ======================= Grid point 171 (87/182) ======================= q-point: ( 0.38 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.297 ( -6.314 -3.523 0.675) 7.262 2.297 ( -6.314 3.523 0.675) 7.262 2.530 ( 0.796 -8.893 1.027) 8.987 2.530 ( 0.796 8.893 1.027) 8.987 2.857 ( 2.781 -7.837 -0.837) 8.358 2.857 ( 2.781 7.837 -0.837) 8.358 3.033 ( -1.254 -5.644 -2.262) 6.208 3.033 ( -1.254 5.644 -2.263) 6.208 3.294 ( -2.199 -9.909 2.537) 10.462 3.294 ( -2.199 9.909 2.537) 10.462 3.546 ( -2.410 -9.538 -0.578) 9.854 3.547 ( -2.410 9.538 -0.578) 9.855 3.955 ( 0.545 -7.194 -2.912) 7.780 3.955 ( 0.545 7.194 -2.912) 7.781 4.100 ( 0.286 -6.277 2.417) 6.732 4.100 ( 0.286 6.277 2.417) 6.732 4.373 ( 1.302 -1.424 1.092) 2.217 4.373 ( 1.302 1.424 1.092) 2.217 5.140 ( 3.302 -3.954 -0.485) 5.174 5.140 ( 3.302 3.954 -0.485) 5.174 6.852 ( 1.293 -7.885 -1.029) 8.056 6.852 ( 1.293 7.885 -1.029) 8.056 7.223 ( 0.552 -7.316 -0.783) 7.378 7.223 ( 0.552 7.316 -0.783) 7.378 7.543 ( -0.356 -1.422 2.266) 2.699 7.543 ( -0.357 1.422 2.266) 2.699 9.543 ( -7.121 -5.181 -0.981) 8.861 9.543 ( -7.121 5.181 -0.981) 8.861 18.148 ( -0.257 -3.433 -2.944) 4.530 18.148 ( -0.257 3.434 -2.943) 4.530 ======================= Grid point 173 (88/182) ======================= q-point: (-0.50 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.224 ( -1.129 -2.135 -0.749) 2.529 2.224 ( -1.129 2.136 -0.750) 2.529 2.531 ( -1.179 -6.786 0.279) 6.893 2.531 ( -1.179 6.786 0.279) 6.893 2.883 ( -0.441 -8.610 -0.757) 8.654 2.883 ( -0.440 8.610 -0.756) 8.654 3.045 ( 3.631 -4.116 0.641) 5.525 3.045 ( 3.631 4.116 0.640) 5.526 3.290 ( 0.056 -9.943 2.824) 10.337 3.290 ( 0.056 9.944 2.824) 10.337 3.524 ( 0.728 -9.406 0.262) 9.438 3.524 ( 0.728 9.407 0.262) 9.438 3.877 ( -4.388 -8.345 -6.922) 11.696 3.877 ( -4.388 8.345 -6.922) 11.697 4.169 ( 2.955 -10.769 4.834) 12.169 4.169 ( 2.956 10.769 4.835) 12.169 4.393 ( 0.031 -1.053 1.559) 1.882 4.393 ( 0.031 1.053 1.559) 1.882 5.158 ( -0.709 -3.420 -1.453) 3.783 5.158 ( -0.709 3.421 -1.453) 3.783 6.851 ( -0.371 -8.408 -1.905) 8.629 6.851 ( -0.372 8.408 -1.905) 8.629 7.231 ( 0.569 -7.563 -0.468) 7.598 7.231 ( 0.568 7.563 -0.468) 7.598 7.555 ( -0.258 -1.452 2.923) 3.274 7.555 ( -0.258 1.453 2.923) 3.274 9.473 ( 0.491 -3.905 -0.854) 4.028 9.473 ( 0.491 3.906 -0.854) 4.028 18.143 ( 1.470 -3.441 -2.373) 4.431 18.143 ( 1.470 3.442 -2.373) 4.432 ======================= Grid point 175 (89/182) ======================= q-point: (-0.38 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.256 ( 4.868 -0.520 -0.644) 4.938 2.256 ( 4.868 0.521 -0.644) 4.938 2.503 ( -1.535 -4.028 0.369) 4.327 2.503 ( -1.535 4.028 0.369) 4.327 2.847 ( -1.818 -10.805 -1.955) 11.130 2.847 ( -1.818 10.805 -1.955) 11.130 3.132 ( 3.460 -2.870 2.582) 5.185 3.132 ( 3.460 2.870 2.582) 5.185 3.333 ( 2.522 -9.461 3.380) 10.358 3.333 ( 2.522 9.461 3.380) 10.358 3.575 ( 3.553 -9.562 0.321) 10.206 3.575 ( 3.553 9.563 0.321) 10.206 3.746 ( -4.285 -6.456 -6.819) 10.322 3.746 ( -4.285 6.456 -6.819) 10.322 4.226 ( 0.435 -11.222 2.386) 11.481 4.226 ( 0.435 11.222 2.386) 11.481 4.398 ( -0.688 -1.182 2.631) 2.965 4.398 ( -0.688 1.182 2.631) 2.965 5.099 ( -4.430 -4.481 -1.925) 6.589 5.099 ( -4.431 4.481 -1.925) 6.589 6.826 ( -0.836 -6.922 -1.713) 7.180 6.826 ( -0.836 6.922 -1.712) 7.180 7.234 ( -0.012 -6.367 -0.382) 6.379 7.234 ( -0.012 6.367 -0.382) 6.379 7.564 ( -0.646 -2.930 2.736) 4.060 7.564 ( -0.646 2.931 2.736) 4.061 9.551 ( 8.101 -5.335 -0.778) 9.732 9.551 ( 8.101 5.335 -0.778) 9.732 18.171 ( 2.970 -3.467 -2.268) 5.098 18.171 ( 2.970 3.468 -2.269) 5.099 ======================= Grid point 177 (90/182) ======================= q-point: (-0.25 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.353 ( 3.599 -3.380 0.931) 5.025 2.353 ( 3.599 3.381 0.931) 5.025 2.521 ( 4.762 -0.909 0.540) 4.878 2.521 ( 4.762 0.909 0.540) 4.878 2.813 ( -0.101 -12.479 -2.292) 12.688 2.813 ( -0.101 12.479 -2.292) 12.688 3.184 ( 1.144 -1.059 1.264) 2.006 3.184 ( 1.144 1.059 1.264) 2.007 3.399 ( 0.466 -9.156 2.850) 9.601 3.399 ( 0.466 9.156 2.850) 9.601 3.552 ( -3.425 -7.624 -1.914) 8.575 3.552 ( -3.425 7.625 -1.914) 8.575 3.742 ( 6.137 -6.142 -2.760) 9.111 3.742 ( 6.137 6.142 -2.760) 9.111 4.209 ( -3.064 -8.861 1.022) 9.431 4.209 ( -3.064 8.861 1.022) 9.432 4.399 ( -1.094 -1.971 2.096) 3.078 4.399 ( -1.094 1.971 2.096) 3.078 4.992 ( -5.560 -6.005 -1.405) 8.304 4.992 ( -5.560 6.005 -1.405) 8.304 6.806 ( -0.425 -4.188 -1.079) 4.346 6.806 ( -0.425 4.188 -1.079) 4.346 7.229 ( -0.220 -4.852 -0.336) 4.868 7.229 ( -0.220 4.852 -0.336) 4.868 7.564 ( -0.915 -4.331 2.057) 4.882 7.564 ( -0.915 4.332 2.057) 4.882 9.727 ( 10.702 -7.011 -0.844) 12.821 9.727 ( 10.702 7.011 -0.844) 12.821 18.216 ( 3.357 -3.483 -2.703) 5.541 18.216 ( 3.357 3.483 -2.703) 5.541 ======================= Grid point 179 (91/182) ======================= q-point: (-0.12 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.382 ( -0.264 -3.222 2.077) 3.842 2.382 ( -0.264 3.222 2.077) 3.842 2.644 ( 5.580 -5.921 -1.407) 8.257 2.644 ( 5.579 5.921 -1.407) 8.257 2.845 ( 5.621 -9.474 0.113) 11.017 2.845 ( 5.621 9.474 0.113) 11.017 3.196 ( -0.022 -1.674 -1.725) 2.404 3.196 ( -0.022 1.674 -1.725) 2.404 3.309 ( -8.177 -9.609 1.052) 12.662 3.309 ( -8.178 9.610 1.052) 12.662 3.581 ( 4.198 -8.486 1.610) 9.603 3.581 ( 4.198 8.486 1.610) 9.603 3.824 ( 3.319 -7.226 -2.533) 8.346 3.824 ( 3.319 7.227 -2.533) 8.346 4.153 ( -3.036 -5.232 1.393) 6.208 4.153 ( -3.036 5.232 1.393) 6.208 4.377 ( -2.067 -2.190 0.321) 3.029 4.377 ( -2.067 2.190 0.321) 3.029 4.904 ( -3.053 -5.848 -0.091) 6.597 4.904 ( -3.053 5.848 -0.091) 6.597 6.797 ( -0.052 -1.453 -0.799) 1.659 6.797 ( -0.052 1.453 -0.799) 1.659 7.222 ( -0.189 -2.725 -0.440) 2.766 7.222 ( -0.189 2.725 -0.440) 2.767 7.560 ( -0.760 -5.090 1.662) 5.408 7.560 ( -0.760 5.090 1.662) 5.408 9.892 ( 7.241 -8.008 -1.102) 10.852 9.892 ( 7.241 8.008 -1.102) 10.852 18.251 ( 2.385 -3.490 -3.437) 5.448 18.251 ( 2.385 3.491 -3.437) 5.449 ======================= Grid point 221 (92/182) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.955 ( -2.260 0.000 19.855) 19.983 1.009 ( 4.767 0.000 21.936) 22.448 1.628 ( 13.907 0.000 33.858) 36.603 1.739 ( 3.445 0.000 -3.519) 4.925 1.896 ( -2.883 0.000 -15.040) 15.314 2.629 ( -7.774 0.000 -0.711) 7.807 2.861 ( 1.581 0.000 1.664) 2.295 2.916 ( -9.446 0.000 -1.799) 9.616 2.974 ( -0.038 0.000 3.067) 3.067 3.067 ( 2.606 0.000 -4.922) 5.570 3.130 ( 1.464 0.000 -14.137) 14.213 3.312 ( -4.135 0.000 -2.058) 4.619 3.577 ( 2.744 0.000 2.433) 3.667 3.745 ( -5.963 0.000 3.450) 6.889 3.850 ( -1.831 0.000 1.976) 2.694 4.099 ( -1.070 0.000 -1.872) 2.156 4.311 ( 4.927 0.000 -2.471) 5.512 4.392 ( -0.288 0.000 -1.350) 1.380 4.717 ( 1.861 0.000 2.635) 3.226 5.221 ( 0.753 0.000 -0.193) 0.778 6.971 ( -1.715 0.000 -1.492) 2.273 7.012 ( -0.817 0.000 2.812) 2.928 7.049 ( 0.366 0.000 0.942) 1.011 7.222 ( 0.905 0.000 1.803) 2.017 7.532 ( 0.737 0.000 4.342) 4.404 7.696 ( -0.572 0.000 -2.346) 2.415 8.625 ( 1.901 0.000 10.037) 10.215 9.223 ( -16.305 0.000 -14.159) 21.595 17.418 ( 15.480 0.000 27.027) 31.146 18.585 ( -1.874 0.000 -3.398) 3.881 ======================= Grid point 222 (93/182) ======================= q-point: ( 0.12 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.157 ( 10.674 0.000 14.643) 18.120 1.275 ( 10.220 0.000 16.157) 19.118 1.766 ( -1.258 0.000 -13.604) 13.662 1.850 ( 13.488 0.000 -9.814) 16.680 2.151 ( 17.836 0.000 29.861) 34.783 2.422 ( -9.879 0.000 -7.043) 12.133 2.695 ( -11.651 0.000 -0.797) 11.678 2.861 ( -2.137 0.000 -0.570) 2.211 2.986 ( -0.504 0.000 2.263) 2.319 3.070 ( 0.934 0.000 -0.927) 1.316 3.097 ( 1.047 0.000 -8.219) 8.285 3.235 ( -3.654 0.000 1.902) 4.119 3.648 ( 3.892 0.000 -0.290) 3.903 3.688 ( -3.901 0.000 7.126) 8.124 3.873 ( 3.089 0.000 1.795) 3.573 4.080 ( -0.355 0.000 0.893) 0.961 4.300 ( -3.006 0.000 -9.981) 10.424 4.364 ( -2.346 0.000 -0.130) 2.349 4.789 ( 3.994 0.000 1.063) 4.133 5.215 ( -1.141 0.000 -0.658) 1.317 6.960 ( 0.972 0.000 0.510) 1.098 7.014 ( -0.661 0.000 2.297) 2.391 7.061 ( 0.342 0.000 0.779) 0.851 7.237 ( -0.001 0.000 0.216) 0.216 7.584 ( 2.016 0.000 3.976) 4.458 7.674 ( -0.207 0.000 -2.661) 2.669 8.694 ( -2.975 0.000 12.069) 12.430 8.803 ( -19.565 0.000 -1.925) 19.660 17.842 ( 15.482 0.000 6.620) 16.837 18.610 ( 6.881 0.000 -2.179) 7.218 ======================= Grid point 223 (94/182) ======================= q-point: ( 0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.458 ( 13.254 0.000 8.774) 15.895 1.520 ( 8.900 0.000 -0.289) 8.904 1.717 ( 2.113 0.000 0.796) 2.258 1.912 ( -1.072 0.000 -20.380) 20.408 2.348 ( 10.252 0.000 0.923) 10.294 2.463 ( -8.902 0.000 5.149) 10.284 2.640 ( 10.155 0.000 13.791) 17.126 2.791 ( -3.808 0.000 -2.863) 4.765 2.964 ( -2.920 0.000 -0.080) 2.921 3.045 ( -0.346 0.000 -5.645) 5.656 3.176 ( 10.086 0.000 6.142) 11.809 3.218 ( -0.852 0.000 5.797) 5.859 3.691 ( -1.102 0.000 7.610) 7.689 3.706 ( 3.169 0.000 -2.142) 3.825 3.921 ( -0.968 0.000 -2.750) 2.915 4.099 ( 1.613 0.000 2.107) 2.653 4.144 ( -6.597 0.000 -4.543) 8.010 4.284 ( -5.008 0.000 -1.356) 5.189 4.854 ( 2.961 0.000 -1.062) 3.146 5.167 ( -3.558 0.000 -1.237) 3.767 7.008 ( 2.955 0.000 1.682) 3.400 7.015 ( -0.630 0.000 1.658) 1.774 7.069 ( 0.052 0.000 0.517) 0.519 7.222 ( -0.961 0.000 -1.426) 1.719 7.645 ( 2.365 0.000 1.733) 2.931 7.657 ( -0.141 0.000 -1.192) 1.201 8.490 ( -15.653 0.000 8.403) 17.766 8.690 ( -3.919 0.000 2.986) 4.927 18.071 ( 9.329 0.000 0.622) 9.350 18.763 ( 8.738 0.000 -0.100) 8.739 ======================= Grid point 224 (95/182) ======================= q-point: ( 0.38 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.555 ( 0.871 0.000 -9.706) 9.745 1.657 ( 3.369 0.000 -8.218) 8.882 1.775 ( 1.513 0.000 -8.731) 8.861 1.869 ( 7.184 0.000 11.175) 13.285 2.274 ( -8.714 0.000 9.738) 13.067 2.682 ( 14.927 0.000 5.193) 15.804 2.706 ( -2.804 0.000 -3.828) 4.745 2.769 ( -0.489 0.000 2.566) 2.612 2.891 ( -3.800 0.000 -2.025) 4.306 3.041 ( 4.545 0.000 -5.172) 6.885 3.257 ( 0.266 0.000 7.190) 7.194 3.510 ( 16.955 0.000 10.330) 19.854 3.647 ( -11.469 0.000 -6.746) 13.306 3.734 ( 1.600 0.000 -3.148) 3.531 3.786 ( -4.028 0.000 3.733) 5.491 4.079 ( -1.974 0.000 4.312) 4.742 4.149 ( -0.809 0.000 3.743) 3.830 4.226 ( 2.273 0.000 -1.984) 3.018 4.886 ( 2.234 0.000 -3.143) 3.856 5.074 ( -5.485 0.000 -1.565) 5.704 7.011 ( -0.664 0.000 1.145) 1.324 7.048 ( -0.032 0.000 -0.580) 0.581 7.068 ( -0.449 0.000 0.392) 0.596 7.215 ( 1.595 0.000 0.224) 1.611 7.640 ( -0.493 0.000 -1.715) 1.785 7.697 ( 1.704 0.000 1.879) 2.537 8.306 ( -10.656 0.000 9.645) 14.373 8.622 ( -3.181 0.000 -2.682) 4.161 18.218 ( 5.002 0.000 3.683) 6.212 18.886 ( 4.439 0.000 -0.005) 4.439 ======================= Grid point 225 (96/182) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.463 ( -6.918 0.000 -3.447) 7.729 1.531 ( -9.249 0.000 -11.158) 14.493 1.761 ( 0.788 0.000 -3.498) 3.586 2.052 ( 6.577 0.000 6.084) 8.959 2.321 ( 4.406 0.000 12.594) 13.342 2.657 ( 0.069 0.000 -3.484) 3.484 2.698 ( -7.492 0.000 2.807) 8.001 2.819 ( -2.204 0.000 -2.337) 3.213 2.883 ( 1.287 0.000 6.958) 7.076 3.155 ( 5.112 0.000 -5.025) 7.168 3.286 ( -12.119 0.000 -6.268) 13.644 3.304 ( 0.176 0.000 6.832) 6.835 3.725 ( -0.411 0.000 -3.380) 3.405 3.738 ( -3.776 0.000 6.257) 7.309 3.868 ( 12.224 0.000 -2.194) 12.419 4.093 ( -0.982 0.000 2.908) 3.070 4.172 ( 4.547 0.000 6.015) 7.540 4.296 ( 3.826 0.000 0.582) 3.870 4.886 ( -1.465 0.000 -5.009) 5.219 4.987 ( -0.596 0.000 -0.823) 1.016 7.006 ( -0.589 0.000 1.060) 1.213 7.019 ( -1.391 0.000 -1.059) 1.749 7.058 ( -0.906 0.000 0.572) 1.071 7.262 ( 2.145 0.000 0.274) 2.162 7.613 ( -1.809 0.000 -0.368) 1.846 7.730 ( 1.050 0.000 0.669) 1.245 8.237 ( -2.745 0.000 10.229) 10.591 8.553 ( -1.808 0.000 -4.254) 4.622 18.270 ( -3.195 0.000 5.443) 6.312 18.920 ( -0.649 0.000 0.129) 0.662 ======================= Grid point 226 (97/182) ======================= q-point: (-0.38 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.238 ( -16.493 0.000 -0.406) 16.498 1.264 ( -14.113 0.000 2.745) 14.378 1.763 ( -1.131 0.000 -2.792) 3.013 2.160 ( 2.959 0.000 -0.863) 3.083 2.410 ( -15.894 0.000 7.453) 17.555 2.545 ( -2.327 0.000 10.793) 11.041 2.666 ( 2.699 0.000 -2.102) 3.421 2.802 ( 1.381 0.000 0.289) 1.411 2.833 ( -2.886 0.000 -5.377) 6.103 3.010 ( -1.776 0.000 -2.548) 3.106 3.344 ( 0.207 0.000 5.215) 5.219 3.408 ( 9.293 0.000 5.821) 10.966 3.643 ( -7.596 0.000 0.559) 7.616 3.679 ( -2.580 0.000 -2.718) 3.747 4.007 ( 4.848 0.000 -6.687) 8.259 4.094 ( 1.825 0.000 4.012) 4.408 4.266 ( -1.423 0.000 -0.428) 1.486 4.394 ( 7.194 0.000 -0.610) 7.219 4.799 ( -3.177 0.000 -2.267) 3.903 5.040 ( 5.017 0.000 -1.210) 5.161 7.005 ( -0.427 0.000 1.543) 1.601 7.008 ( 0.460 0.000 0.671) 0.813 7.045 ( -1.037 0.000 0.899) 1.372 7.271 ( -0.887 0.000 -2.092) 2.273 7.571 ( -2.850 0.000 0.978) 3.013 7.743 ( 0.271 0.000 -0.145) 0.307 8.355 ( 7.785 0.000 12.873) 15.044 8.520 ( 1.651 0.000 -1.711) 2.377 18.131 ( -15.927 0.000 2.987) 16.204 18.874 ( -4.494 0.000 1.278) 4.672 ======================= Grid point 227 (98/182) ======================= q-point: (-0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.019 ( -10.754 0.000 16.503) 19.698 1.021 ( -15.510 0.000 10.763) 18.879 1.590 ( -19.206 0.000 3.984) 19.615 2.036 ( -19.326 0.000 4.578) 19.861 2.144 ( -1.347 0.000 -7.918) 8.032 2.658 ( 3.906 0.000 5.391) 6.658 2.725 ( 4.161 0.000 -0.231) 4.168 2.843 ( 6.792 0.000 -6.343) 9.293 2.862 ( 3.305 0.000 3.398) 4.740 2.999 ( 0.164 0.000 0.898) 0.913 3.376 ( 0.806 0.000 1.890) 2.055 3.461 ( -8.231 0.000 -2.359) 8.563 3.604 ( -4.238 0.000 -0.513) 4.269 3.644 ( 9.101 0.000 6.498) 11.182 4.008 ( 1.383 0.000 -3.016) 3.318 4.108 ( -7.657 0.000 -4.414) 8.839 4.241 ( 4.711 0.000 1.854) 5.062 4.442 ( 0.074 0.000 -7.151) 7.152 4.757 ( -1.990 0.000 0.244) 2.005 5.124 ( 4.450 0.000 -0.320) 4.461 7.008 ( -0.586 0.000 2.465) 2.534 7.035 ( -0.542 0.000 0.948) 1.092 7.038 ( 1.563 0.000 1.183) 1.961 7.213 ( -2.945 0.000 -2.640) 3.955 7.529 ( -2.685 0.000 2.392) 3.596 7.739 ( -0.400 0.000 -0.850) 0.940 8.476 ( 0.934 0.000 3.878) 3.989 8.814 ( 25.914 0.000 9.727) 27.680 17.715 ( -31.123 0.000 5.354) 31.580 18.785 ( -6.100 0.000 1.709) 6.335 ======================= Grid point 228 (99/182) ======================= q-point: (-0.12 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.894 ( -7.200 0.000 20.007) 21.263 1.007 ( -11.057 0.000 22.814) 25.352 1.320 ( -8.052 0.000 26.088) 27.302 1.806 ( -7.450 0.000 -2.883) 7.988 2.037 ( -3.077 0.000 -12.601) 12.971 2.708 ( -1.723 0.000 2.951) 3.417 2.801 ( 3.611 0.000 1.265) 3.826 2.938 ( 1.921 0.000 4.028) 4.463 2.950 ( 6.326 0.000 -3.907) 7.435 3.024 ( 2.652 0.000 -1.200) 2.911 3.276 ( -6.733 0.000 -11.822) 13.605 3.381 ( -0.650 0.000 -3.204) 3.270 3.545 ( -2.152 0.000 3.667) 4.251 3.813 ( 1.756 0.000 7.883) 8.076 3.907 ( -7.770 0.000 -6.158) 9.914 4.066 ( 6.624 0.000 -3.241) 7.374 4.303 ( -2.221 0.000 -1.436) 2.645 4.378 ( 0.435 0.000 -0.477) 0.646 4.712 ( -2.598 0.000 1.500) 3.000 5.190 ( 2.684 0.000 0.127) 2.687 7.011 ( -0.944 0.000 3.011) 3.156 7.029 ( -2.473 0.000 -2.284) 3.366 7.038 ( 0.190 0.000 0.906) 0.926 7.188 ( 0.927 0.000 1.653) 1.895 7.511 ( -1.196 0.000 3.687) 3.876 7.721 ( -0.704 0.000 -1.621) 1.767 8.534 ( 2.164 0.000 6.449) 6.802 9.307 ( 19.326 0.000 -9.912) 21.720 17.255 ( -21.485 0.000 27.539) 34.928 18.677 ( -5.879 0.000 -0.592) 5.909 ======================= Grid point 229 (100/182) ======================= q-point: ( 0.00 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.016 ( -1.653 7.262 16.823) 18.398 1.235 ( 3.762 15.077 19.965) 25.299 1.689 ( 7.697 5.174 2.672) 9.651 1.832 ( 5.029 12.738 13.155) 18.989 2.074 ( -0.522 13.778 -7.996) 15.939 2.563 ( -6.880 -4.835 -0.237) 8.413 2.859 ( -2.664 -5.152 1.108) 5.905 2.878 ( 2.931 -1.730 -0.986) 3.543 2.944 ( -2.906 1.021 -1.229) 3.316 3.069 ( -0.684 4.995 -6.248) 8.028 3.170 ( 0.265 6.217 -4.137) 7.472 3.427 ( -5.896 4.134 -2.934) 7.776 3.635 ( 1.709 2.400 -1.124) 3.153 3.761 ( -5.210 0.682 6.578) 8.419 3.820 ( 2.445 1.577 1.089) 3.106 4.053 ( 1.895 -1.454 -1.046) 2.607 4.266 ( -1.846 -1.602 -2.634) 3.593 4.350 ( 0.207 -2.849 0.179) 2.862 4.667 ( 1.961 -4.024 1.930) 4.875 5.161 ( 0.656 -4.869 -0.481) 4.937 6.882 ( -1.056 -5.360 -1.942) 5.798 7.021 ( -0.007 -7.332 -1.210) 7.432 7.089 ( -0.711 6.173 2.749) 6.795 7.157 ( 3.047 1.329 0.680) 3.393 7.640 ( -1.320 -2.112 1.067) 2.709 7.924 ( -1.146 18.756 -3.851) 19.182 8.534 ( 1.863 -5.521 9.546) 11.184 8.901 ( -6.509 -12.347 -1.433) 14.031 17.321 ( 4.111 -3.835 27.185) 27.761 18.484 ( -1.469 -8.546 -2.960) 9.163 ======================= Grid point 230 (101/182) ======================= q-point: ( 0.12 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.207 ( 10.796 5.677 12.848) 17.716 1.472 ( 9.579 14.803 15.424) 23.426 1.812 ( 9.642 1.290 -7.846) 12.498 1.922 ( 3.306 8.334 -13.729) 16.397 2.273 ( 13.561 10.306 23.533) 29.050 2.397 ( -8.894 0.017 -3.651) 9.614 2.668 ( -11.411 -0.307 -3.369) 11.902 2.916 ( 1.172 3.172 1.156) 3.574 2.983 ( 4.171 -3.520 1.584) 5.682 3.029 ( 0.299 1.629 -7.748) 7.923 3.136 ( -3.303 5.928 -1.181) 6.888 3.331 ( -3.390 5.514 2.228) 6.845 3.646 ( -0.314 0.334 1.482) 1.551 3.732 ( -0.571 2.902 4.086) 5.044 3.889 ( 3.222 2.196 0.746) 3.970 4.070 ( -0.168 -0.117 2.666) 2.673 4.177 ( -4.645 -6.323 -7.022) 10.529 4.334 ( -2.524 -2.308 -0.249) 3.429 4.737 ( 4.115 -3.981 0.705) 5.769 5.150 ( -1.524 -5.394 -0.775) 5.659 6.864 ( 0.017 -6.170 -0.225) 6.174 7.006 ( -1.313 -8.275 -0.238) 8.382 7.089 ( -0.309 5.207 0.784) 5.274 7.203 ( 1.871 3.608 -0.932) 4.170 7.651 ( 1.348 -4.063 2.021) 4.734 7.895 ( 0.011 17.686 -1.636) 17.762 8.604 ( -0.801 -5.288 8.849) 10.340 8.711 ( -11.930 -1.001 -0.295) 11.975 17.610 ( 10.207 -13.718 16.352) 23.660 18.491 ( 4.221 -9.310 -1.971) 10.410 ======================= Grid point 231 (102/182) ======================= q-point: ( 0.25 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.499 ( 12.813 4.396 8.021) 15.743 1.726 ( 10.221 15.654 2.549) 18.868 1.824 ( -0.490 6.750 -9.916) 12.005 1.965 ( 5.703 4.915 -9.996) 12.514 2.297 ( 1.405 -2.336 1.824) 3.280 2.471 ( -7.651 1.943 0.545) 7.912 2.620 ( 8.942 1.393 12.187) 15.180 2.925 ( 0.297 7.358 -1.951) 7.618 2.993 ( -0.524 1.498 -3.196) 3.568 3.048 ( -3.428 3.051 -2.322) 5.143 3.120 ( 8.092 -0.982 5.940) 10.086 3.333 ( 0.851 5.911 6.874) 9.106 3.650 ( -0.692 0.202 2.333) 2.442 3.774 ( 1.804 2.169 3.890) 4.805 3.901 ( -3.059 -1.274 -6.175) 7.008 4.029 ( -4.722 -6.743 0.079) 8.233 4.115 ( 2.156 2.222 2.110) 3.746 4.254 ( -5.021 -2.071 -1.413) 5.612 4.801 ( 2.767 -3.913 -1.122) 4.922 5.097 ( -3.574 -5.636 -1.127) 6.768 6.882 ( 1.590 -8.314 1.156) 8.544 6.971 ( -2.525 -9.053 0.158) 9.400 7.091 ( 0.610 4.344 -0.884) 4.475 7.213 ( 0.436 4.215 -1.940) 4.660 7.707 ( 3.408 0.610 2.150) 4.076 7.907 ( 1.257 15.080 1.508) 15.208 8.488 ( -12.864 5.002 3.784) 14.312 8.611 ( -2.419 -4.940 1.857) 5.806 17.844 ( 7.461 -16.454 7.715) 19.644 18.596 ( 6.697 -12.816 0.509) 14.469 ======================= Grid point 232 (103/182) ======================= q-point: ( 0.38 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.676 ( 0.539 3.262 -12.006) 12.453 1.725 ( 2.834 6.646 -3.394) 7.983 1.855 ( 4.306 15.168 -7.406) 17.420 2.081 ( 7.187 14.582 9.719) 18.940 2.255 ( -6.689 -1.104 9.049) 11.307 2.507 ( 5.735 -6.231 -0.450) 8.481 2.733 ( 0.150 -0.829 1.924) 2.100 2.926 ( -1.480 4.362 -0.944) 4.702 2.970 ( 0.599 10.639 1.086) 10.712 3.017 ( 4.917 -1.524 -5.279) 7.374 3.268 ( 2.216 0.741 6.589) 6.991 3.503 ( 10.384 -1.103 8.365) 13.379 3.610 ( -6.492 1.267 -3.239) 7.365 3.709 ( -7.845 -3.568 -4.140) 9.561 3.821 ( 0.649 1.431 2.382) 2.854 4.020 ( 0.411 -3.766 4.140) 5.611 4.146 ( -2.770 -0.017 1.051) 2.963 4.212 ( 3.637 1.128 1.554) 4.113 4.827 ( 1.973 -4.643 -2.955) 5.847 5.008 ( -5.227 -4.788 -1.499) 7.245 6.918 ( -2.891 -8.962 -0.520) 9.431 6.923 ( 1.664 -10.551 0.974) 10.725 7.101 ( 0.937 5.113 -0.766) 5.255 7.205 ( 0.195 3.347 -1.898) 3.852 7.805 ( 5.751 8.409 3.066) 10.639 7.948 ( 1.249 13.525 3.454) 14.015 8.290 ( -11.311 4.662 4.011) 12.875 8.552 ( -3.371 -4.480 -3.164) 6.438 17.978 ( 2.485 -18.223 6.261) 19.428 18.704 ( 3.897 -14.846 1.226) 15.398 ======================= Grid point 233 (104/182) ======================= q-point: (-0.50 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.530 ( -8.626 3.675 -9.008) 13.002 1.718 ( -1.936 14.440 -5.083) 15.430 1.817 ( -3.697 9.467 -1.963) 10.351 2.244 ( 4.981 12.702 7.248) 15.449 2.332 ( 6.023 2.838 10.985) 12.845 2.542 ( -1.234 -5.221 -1.583) 5.594 2.704 ( -2.160 -1.879 -0.401) 2.891 2.872 ( -2.158 4.911 -1.563) 5.588 2.989 ( -0.421 5.756 3.841) 6.933 3.171 ( 10.580 0.074 -0.481) 10.591 3.262 ( -15.285 2.080 -5.040) 16.228 3.348 ( -1.587 2.909 3.188) 4.598 3.616 ( -3.939 -5.637 -0.171) 6.879 3.751 ( 5.234 -2.538 2.327) 6.265 3.837 ( 3.432 -2.253 -1.137) 4.260 4.086 ( 1.841 -1.406 5.271) 5.758 4.120 ( 1.248 -1.681 1.998) 2.894 4.303 ( 3.970 1.822 1.588) 4.648 4.848 ( 0.541 -3.543 -4.778) 5.973 4.905 ( -2.537 -5.081 -0.387) 5.692 6.870 ( -1.901 -8.569 0.204) 8.780 6.948 ( 1.006 -10.270 -0.469) 10.330 7.108 ( 0.041 6.969 -0.179) 6.972 7.201 ( 0.189 0.485 -1.510) 1.598 7.936 ( 4.190 19.651 2.065) 20.198 7.995 ( 2.295 15.928 3.921) 16.563 8.148 ( -5.377 -2.794 5.432) 8.138 8.462 ( -3.393 -6.836 -4.938) 9.090 17.992 ( -6.028 -20.580 7.294) 22.651 18.743 ( -0.365 -14.680 1.475) 14.759 ======================= Grid point 234 (105/182) ======================= q-point: (-0.38 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.280 ( -13.951 5.848 -0.055) 15.127 1.547 ( -13.905 20.900 2.598) 25.237 1.786 ( -1.127 3.464 -2.678) 4.521 2.321 ( -3.466 8.866 2.380) 9.812 2.421 ( -9.688 5.181 0.016) 10.987 2.497 ( 5.049 -0.776 7.393) 8.986 2.702 ( 2.418 -3.013 -0.549) 3.902 2.860 ( 1.166 5.948 1.464) 6.235 2.919 ( -9.434 9.701 -4.512) 14.264 3.027 ( -0.476 2.143 -1.563) 2.694 3.348 ( 7.392 -3.911 4.947) 9.717 3.386 ( 0.549 1.712 4.473) 4.821 3.541 ( -3.622 -4.136 0.408) 5.513 3.730 ( -3.181 0.511 -2.064) 3.826 3.962 ( 8.383 -5.090 -3.295) 10.346 4.071 ( -2.490 0.142 1.703) 3.020 4.228 ( 2.632 -2.820 2.466) 4.578 4.360 ( 2.615 -0.422 -1.078) 2.860 4.749 ( -4.701 -3.431 -2.411) 6.300 4.966 ( 5.582 -4.873 -0.595) 7.433 6.861 ( 0.539 -7.979 1.288) 8.100 6.962 ( 1.155 -8.720 -0.674) 8.822 7.102 ( -0.690 7.318 0.694) 7.383 7.178 ( -1.713 -1.335 -2.173) 3.073 7.909 ( -5.356 15.022 -1.029) 15.982 8.017 ( -0.122 21.592 -0.450) 21.597 8.286 ( 10.771 -0.899 11.101) 15.494 8.393 ( -0.492 -10.639 -1.986) 10.834 17.831 ( -17.125 -19.992 9.064) 27.841 18.716 ( -3.493 -13.281 1.859) 13.858 ======================= Grid point 235 (106/182) ======================= q-point: (-0.25 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.095 ( -9.302 8.329 13.600) 18.463 1.302 ( -16.260 17.987 10.035) 26.241 1.663 ( -11.549 9.809 0.545) 15.163 2.078 ( -17.186 6.243 4.356) 18.796 2.310 ( -3.425 12.677 -8.012) 15.383 2.610 ( 3.372 -3.292 3.527) 5.886 2.758 ( 3.591 -5.735 -1.195) 6.872 2.808 ( -0.101 4.873 -3.767) 6.160 2.928 ( 3.012 4.995 3.449) 6.776 3.036 ( 1.182 6.370 0.618) 6.508 3.381 ( -2.687 -2.101 -2.672) 4.333 3.491 ( 3.652 1.952 6.220) 7.472 3.538 ( 2.404 -2.189 4.461) 5.520 3.668 ( -0.843 -0.074 -3.055) 3.170 4.015 ( -0.835 1.749 -2.051) 2.822 4.059 ( -1.718 -3.821 -2.517) 4.887 4.215 ( 0.414 -1.261 -0.252) 1.351 4.387 ( 0.669 -2.374 -3.286) 4.109 4.686 ( -2.352 -4.410 1.250) 5.152 5.061 ( 4.779 -4.609 -0.256) 6.644 6.893 ( 1.615 -7.590 0.663) 7.788 6.993 ( 2.680 -7.011 -0.033) 7.506 7.096 ( -0.827 6.423 2.018) 6.783 7.115 ( -3.160 -1.302 -2.373) 4.161 7.791 ( -5.740 10.212 -2.508) 11.981 8.005 ( -0.632 20.472 -1.876) 20.568 8.373 ( 0.596 -8.262 4.407) 9.382 8.628 ( 15.736 -7.128 8.091) 19.076 17.510 ( -24.277 -11.267 15.216) 30.787 18.647 ( -4.967 -11.723 1.220) 12.790 ======================= Grid point 236 (107/182) ======================= q-point: (-0.12 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.084 ( -13.351 8.584 18.204) 24.152 1.110 ( -4.993 11.768 19.652) 23.444 1.522 ( -2.545 20.954 12.603) 24.584 1.858 ( -8.554 6.766 0.952) 10.948 2.183 ( -3.522 11.748 -11.060) 16.515 2.642 ( -1.883 -4.869 1.239) 5.366 2.816 ( 3.560 -8.004 -0.611) 8.781 2.826 ( 2.771 0.836 -0.515) 2.940 2.978 ( 0.240 3.083 1.974) 3.668 3.077 ( 1.833 8.982 1.956) 9.373 3.269 ( -4.730 0.426 -10.058) 11.123 3.537 ( -3.752 2.695 -1.804) 4.960 3.583 ( 4.257 6.552 0.532) 7.832 3.717 ( 3.035 -6.619 6.415) 9.705 3.905 ( -8.252 1.367 -2.057) 8.614 4.022 ( 2.109 -0.722 -3.060) 3.786 4.272 ( 2.360 -1.823 0.915) 3.119 4.355 ( -0.859 -1.465 -2.688) 3.179 4.656 ( -1.968 -3.837 2.381) 4.926 5.131 ( 2.942 -4.673 -0.213) 5.526 6.908 ( 0.069 -6.281 -1.688) 6.504 7.031 ( 0.316 -7.892 -2.022) 8.153 7.075 ( 0.446 3.910 1.733) 4.300 7.103 ( 0.625 2.837 2.730) 3.986 7.688 ( -3.989 4.162 -1.022) 5.855 7.971 ( -1.189 19.233 -3.699) 19.622 8.439 ( 2.282 -6.225 7.772) 10.215 8.895 ( 7.787 -16.563 2.155) 18.429 17.246 ( -15.110 0.312 25.970) 30.048 18.557 ( -4.659 -10.104 -0.943) 11.166 ======================= Grid point 237 (108/182) ======================= q-point: ( 0.00 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 292 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.264 ( -0.371 15.901 9.572) 18.564 1.517 ( 3.552 14.246 17.599) 22.919 1.836 ( 1.657 9.421 -5.357) 10.964 2.165 ( -0.425 11.847 -8.360) 14.506 2.383 ( 0.800 14.634 5.989) 15.832 2.519 ( -2.622 3.376 -1.140) 4.424 2.800 ( 2.801 2.548 2.625) 4.607 2.885 ( 1.985 2.094 1.217) 3.132 3.004 ( -4.203 3.119 -1.841) 5.548 3.197 ( -1.689 8.577 -7.857) 11.754 3.334 ( -1.501 7.066 1.188) 7.321 3.460 ( -3.960 0.311 -2.590) 4.742 3.643 ( 1.099 0.855 1.898) 2.354 3.810 ( -1.508 3.125 3.235) 4.744 3.889 ( 2.693 1.502 3.051) 4.338 4.083 ( 1.378 4.264 0.808) 4.553 4.266 ( -4.313 0.625 -4.948) 6.594 4.306 ( 2.138 -0.218 -0.778) 2.285 4.603 ( 0.780 -0.784 0.625) 1.270 5.047 ( 0.329 -5.809 -0.628) 5.852 6.786 ( -1.333 -3.429 -1.822) 4.105 6.864 ( 0.336 -5.816 -2.626) 6.390 7.189 ( 2.584 0.658 0.155) 2.671 7.227 ( 2.023 4.768 1.470) 5.384 7.524 ( -4.478 -5.168 0.437) 6.852 8.043 ( -0.516 -7.973 -1.665) 8.161 8.629 ( 0.175 16.093 6.028) 17.186 8.977 ( -0.016 15.609 -0.631) 15.622 17.337 ( -1.147 5.219 18.423) 19.182 18.298 ( -0.933 -8.059 -1.387) 8.231 ======================= Grid point 238 (109/182) ======================= q-point: ( 0.12 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.407 ( 9.196 13.486 7.995) 18.176 1.734 ( 8.731 10.151 16.358) 21.139 1.881 ( 6.992 5.727 -6.174) 10.945 2.091 ( 0.006 7.918 -14.751) 16.742 2.391 ( -4.155 3.838 2.014) 6.004 2.540 ( 3.587 8.744 3.312) 10.014 2.768 ( -6.731 6.562 1.017) 9.455 2.961 ( 1.436 2.795 1.725) 3.585 2.993 ( 6.750 7.357 5.616) 11.455 3.127 ( -0.069 7.760 -10.136) 12.766 3.285 ( -4.528 7.353 1.460) 8.758 3.391 ( -2.988 0.625 1.798) 3.543 3.669 ( 0.737 1.181 1.334) 1.928 3.795 ( -1.293 3.390 2.513) 4.414 3.948 ( 0.514 1.116 1.499) 1.938 4.092 ( -2.977 4.726 0.839) 5.648 4.165 ( -1.083 3.214 -3.335) 4.756 4.304 ( -1.277 0.319 -2.264) 2.619 4.656 ( 3.990 -3.149 0.428) 5.101 5.029 ( -1.861 -5.750 -0.652) 6.079 6.754 ( -1.179 -3.833 -0.375) 4.028 6.849 ( -0.783 -5.495 -1.416) 5.729 7.159 ( -2.133 0.616 -2.532) 3.368 7.306 ( 3.150 4.317 -0.819) 5.406 7.529 ( 3.622 -4.469 4.214) 7.131 8.020 ( -0.859 -6.191 -1.236) 6.371 8.656 ( -1.096 12.452 5.591) 13.693 8.915 ( -5.661 17.899 -1.640) 18.844 17.463 ( 3.080 -0.323 14.668) 14.991 18.296 ( 1.515 -8.352 -0.716) 8.518 ======================= Grid point 239 (110/182) ======================= q-point: ( 0.25 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 292 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.649 ( 11.461 10.061 5.340) 16.159 1.929 ( 1.611 4.503 -9.431) 10.574 2.024 ( 7.492 11.914 3.545) 14.514 2.049 ( 11.252 3.715 -2.512) 12.113 2.314 ( -5.390 3.952 2.991) 7.323 2.560 ( -3.568 5.647 0.506) 6.699 2.714 ( 0.883 4.086 1.468) 4.431 2.988 ( 0.551 0.754 1.354) 1.645 3.054 ( 0.260 7.017 -9.160) 11.542 3.183 ( 2.816 8.491 4.462) 9.997 3.230 ( 0.996 10.053 4.369) 11.007 3.378 ( -0.358 -0.607 5.437) 5.483 3.674 ( -2.325 -1.331 1.946) 3.311 3.781 ( -1.237 1.252 1.328) 2.206 3.907 ( -2.990 3.162 -3.978) 5.896 4.039 ( -2.216 6.359 1.270) 6.853 4.186 ( 1.572 4.046 2.920) 5.231 4.251 ( -1.370 2.961 -3.721) 4.949 4.720 ( 2.510 -3.813 -0.943) 4.662 4.979 ( -3.021 -5.103 -0.423) 5.945 6.740 ( -0.421 -4.955 0.437) 4.992 6.818 ( -2.141 -5.054 0.026) 5.489 7.121 ( 0.651 -0.716 -3.835) 3.955 7.329 ( 0.805 5.161 -2.132) 5.642 7.666 ( 6.795 -2.711 6.127) 9.542 8.004 ( -0.543 -5.743 0.872) 5.834 8.651 ( -2.667 10.105 3.387) 10.986 8.768 ( -8.399 19.347 -2.845) 21.283 17.597 ( 2.968 -5.584 9.676) 11.559 18.340 ( 2.866 -10.602 0.987) 11.027 ======================= Grid point 240 (111/182) ======================= q-point: ( 0.38 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.809 ( 2.110 9.526 -9.246) 13.442 1.862 ( 1.765 8.768 -2.768) 9.362 2.156 ( 8.218 6.740 -6.396) 12.405 2.260 ( -1.293 4.773 8.825) 10.116 2.326 ( 9.518 7.017 10.868) 16.061 2.470 ( -5.529 2.154 1.129) 6.040 2.742 ( 0.764 1.673 -1.697) 2.503 2.975 ( -0.608 1.302 -3.251) 3.554 3.039 ( 1.333 4.705 -1.496) 5.113 3.183 ( 0.372 8.873 0.570) 8.899 3.307 ( 0.604 2.604 4.151) 4.937 3.451 ( 1.918 -1.287 3.694) 4.357 3.605 ( -4.226 -4.192 3.235) 6.774 3.774 ( -0.499 10.994 -4.362) 11.838 3.824 ( -3.247 -0.129 -0.696) 3.323 4.024 ( -1.012 4.399 4.354) 6.271 4.187 ( -0.881 4.851 -1.123) 5.057 4.286 ( 4.477 5.014 1.815) 6.963 4.739 ( 1.541 -3.446 -2.311) 4.426 4.916 ( -3.744 -3.665 -0.409) 5.255 6.741 ( -0.181 -6.234 0.686) 6.274 6.777 ( -1.792 -4.683 -0.269) 5.021 7.137 ( 2.898 0.002 -2.608) 3.899 7.317 ( -0.383 5.061 -2.905) 5.848 7.827 ( 5.782 -3.304 7.557) 10.073 8.016 ( 0.654 -6.095 3.160) 6.896 8.596 ( -5.335 14.558 0.781) 15.524 8.603 ( -5.722 16.087 -4.527) 17.664 17.673 ( -0.411 -8.753 6.989) 11.209 18.398 ( 2.014 -12.906 2.133) 13.235 ======================= Grid point 241 (112/182) ======================= q-point: (-0.50 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 292 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.687 ( -7.088 11.653 -8.024) 15.824 1.899 ( 3.055 9.040 -2.513) 9.868 2.128 ( -10.815 10.545 1.394) 15.170 2.346 ( 3.311 3.064 9.774) 10.765 2.452 ( 5.720 1.307 -1.611) 6.085 2.537 ( 5.186 3.537 5.955) 8.652 2.714 ( -1.216 5.201 -3.415) 6.340 2.967 ( 1.032 2.157 -0.554) 2.454 3.057 ( 1.095 3.751 0.322) 3.920 3.198 ( 0.383 4.187 -2.364) 4.824 3.328 ( -1.179 1.383 3.093) 3.587 3.389 ( -5.578 -0.192 -0.560) 5.609 3.586 ( -4.679 1.261 5.097) 7.033 3.750 ( 4.538 6.846 -2.709) 8.649 3.794 ( -1.564 -0.220 -2.088) 2.618 4.063 ( 2.628 0.592 5.077) 5.748 4.174 ( -0.109 5.780 -0.127) 5.783 4.372 ( 3.110 4.122 0.715) 5.213 4.771 ( 2.315 -2.838 -2.864) 4.649 4.838 ( -3.106 -1.525 0.119) 3.462 6.731 ( -0.939 -4.959 0.781) 5.107 6.770 ( 1.166 -5.892 -0.897) 6.073 7.177 ( 2.201 1.162 -1.326) 2.820 7.281 ( -1.382 4.199 -3.226) 5.473 7.928 ( -1.190 -7.512 8.589) 11.473 8.084 ( 4.929 -6.888 2.891) 8.950 8.480 ( -4.621 16.904 -3.127) 17.801 8.533 ( -0.480 18.858 -2.033) 18.974 17.660 ( -5.876 -9.156 7.302) 13.102 18.430 ( -0.008 -13.635 2.348) 13.835 ======================= Grid point 242 (113/182) ======================= q-point: (-0.38 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.497 ( -9.719 15.003 -0.203) 17.877 1.863 ( -17.703 8.881 4.741) 20.366 1.944 ( 1.949 10.248 -3.218) 10.917 2.462 ( 3.689 0.238 6.364) 7.360 2.509 ( -2.166 11.913 -1.060) 12.155 2.587 ( 0.587 -1.495 0.644) 1.731 2.690 ( 0.071 7.108 -3.261) 7.820 2.996 ( 1.286 6.078 0.461) 6.229 3.050 ( -4.633 3.656 -6.817) 9.017 3.140 ( 0.978 6.734 1.964) 7.082 3.325 ( 0.569 2.568 4.571) 5.274 3.370 ( 0.837 -2.309 3.001) 3.878 3.541 ( -2.015 2.631 3.862) 5.089 3.721 ( -3.665 0.754 -3.166) 4.902 3.867 ( 7.721 -1.213 -0.351) 7.823 4.127 ( -0.219 2.955 0.914) 3.101 4.208 ( 3.784 2.304 1.245) 4.602 4.390 ( -0.573 2.483 -1.455) 2.934 4.700 ( -4.440 -0.785 -2.403) 5.110 4.891 ( 4.857 -1.985 0.451) 5.267 6.735 ( 1.056 -4.306 0.610) 4.476 6.798 ( 2.525 -5.835 -0.845) 6.414 7.179 ( -1.315 1.065 -2.662) 3.154 7.240 ( -1.018 4.180 -1.273) 4.487 7.909 ( -5.007 -7.375 5.832) 10.653 8.145 ( -0.964 -11.878 -1.494) 12.011 8.432 ( 1.225 18.797 1.907) 18.933 8.587 ( 7.145 21.837 -0.463) 22.981 17.554 ( -11.076 -5.609 9.938) 15.903 18.426 ( -1.843 -12.908 1.897) 13.176 ======================= Grid point 243 (114/182) ======================= q-point: (-0.25 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 292 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( -6.190 17.750 8.727) 20.725 1.562 ( -18.289 10.731 8.034) 22.676 1.931 ( -1.111 11.619 -4.102) 12.372 2.385 ( -10.065 21.012 2.445) 23.426 2.528 ( -3.961 5.654 -6.237) 9.303 2.553 ( 1.652 -1.827 2.846) 3.764 2.693 ( 1.826 1.201 -0.612) 2.269 2.893 ( -3.115 4.731 -7.055) 9.047 3.043 ( 1.389 6.492 0.940) 6.705 3.222 ( 3.987 8.176 1.822) 9.278 3.340 ( -1.036 0.159 2.542) 2.750 3.482 ( 7.523 -2.491 5.880) 9.867 3.556 ( 0.846 1.418 3.622) 3.981 3.640 ( -2.900 0.519 -3.154) 4.316 3.991 ( 3.851 -2.305 0.741) 4.549 4.103 ( -1.222 5.115 -1.766) 5.548 4.209 ( -2.425 1.264 -2.432) 3.660 4.381 ( 0.805 1.398 -2.230) 2.752 4.638 ( -1.851 0.437 0.589) 1.991 4.970 ( 3.707 -3.719 -0.220) 5.256 6.770 ( 2.351 -4.334 -0.468) 4.952 6.849 ( 3.247 -5.356 -0.735) 6.306 7.115 ( -2.293 0.023 -3.789) 4.429 7.227 ( -0.813 5.260 1.496) 5.529 7.812 ( -8.022 -4.989 0.933) 9.493 8.088 ( -2.305 -10.586 -1.138) 10.894 8.503 ( 3.211 19.206 3.890) 19.857 8.758 ( 9.918 16.872 1.290) 19.613 17.404 ( -12.424 1.099 14.130) 18.847 18.390 ( -2.843 -11.363 0.837) 11.743 ======================= Grid point 244 (115/182) ======================= q-point: (-0.12 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.317 ( -10.875 12.489 9.757) 19.221 1.397 ( -2.186 19.186 15.666) 24.866 1.873 ( -1.683 11.282 -4.721) 12.345 2.232 ( -6.844 24.404 2.823) 25.503 2.408 ( -3.449 8.187 -5.388) 10.390 2.570 ( -1.321 -0.462 -0.493) 1.484 2.734 ( 2.849 0.865 0.370) 3.000 2.853 ( 1.037 2.433 -1.549) 3.065 3.056 ( -0.293 4.226 -1.023) 4.357 3.263 ( -1.004 7.414 -0.778) 7.522 3.335 ( 0.424 5.681 -0.635) 5.732 3.545 ( -2.196 -2.317 -4.779) 5.748 3.605 ( 0.973 2.079 3.315) 4.032 3.693 ( 7.499 -0.833 8.840) 11.622 3.944 ( -5.757 1.506 -3.023) 6.674 4.072 ( -0.667 4.742 -0.285) 4.797 4.236 ( 4.744 -1.015 0.072) 4.852 4.353 ( -1.632 1.411 -4.709) 5.180 4.614 ( -1.872 0.856 1.434) 2.509 5.025 ( 2.435 -5.276 -0.511) 5.833 6.801 ( 1.450 -4.003 -2.003) 4.705 6.877 ( 0.317 -5.451 -2.308) 5.927 7.102 ( 3.356 -0.433 -0.725) 3.460 7.224 ( -0.870 5.861 2.357) 6.377 7.653 ( -8.517 -4.535 -0.867) 9.688 8.059 ( -0.602 -9.743 -0.901) 9.804 8.577 ( 1.797 18.863 5.128) 19.630 8.919 ( 6.277 14.408 0.558) 15.726 17.308 ( -8.076 6.264 17.956) 20.661 18.339 ( -2.612 -9.480 -0.551) 9.849 ======================= Grid point 245 (116/182) ======================= q-point: ( 0.00 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.610 ( 2.342 16.823 3.468) 17.336 1.879 ( -1.240 19.535 7.951) 21.128 2.057 ( -2.761 11.898 -0.112) 12.214 2.337 ( 0.547 9.211 -8.756) 12.720 2.562 ( -1.650 6.791 -1.349) 7.117 2.653 ( 1.407 5.139 -3.166) 6.198 2.830 ( 0.753 0.046 -0.952) 1.215 3.034 ( -2.849 0.913 -2.921) 4.182 3.168 ( 4.485 19.771 6.597) 21.320 3.383 ( -3.015 7.049 -0.797) 7.708 3.435 ( -0.171 3.087 1.686) 3.522 3.481 ( -3.961 1.987 -0.632) 4.476 3.642 ( 0.892 -0.958 0.643) 1.458 3.834 ( 4.147 -0.540 7.913) 8.950 3.946 ( -0.384 5.690 -1.104) 5.809 4.150 ( -0.059 0.431 2.227) 2.270 4.268 ( 1.070 0.713 -2.475) 2.789 4.356 ( 0.123 3.295 -3.458) 4.778 4.664 ( -1.973 6.185 -1.412) 6.643 4.933 ( 0.449 -4.969 -0.080) 4.990 6.752 ( -0.696 -0.055 -1.305) 1.480 6.786 ( -0.128 -2.056 -1.959) 2.843 7.172 ( 4.009 -0.536 -0.644) 4.095 7.283 ( -1.256 0.202 -0.023) 1.272 7.470 ( -2.463 -0.978 2.019) 3.331 7.843 ( -0.350 -8.710 -0.343) 8.723 9.013 ( -1.805 19.389 5.220) 20.160 9.374 ( 2.113 20.305 -3.776) 20.761 17.518 ( -0.912 11.623 8.292) 14.307 18.185 ( -0.711 -2.675 -0.237) 2.778 ======================= Grid point 246 (117/182) ======================= q-point: ( 0.12 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.720 ( 7.261 15.201 1.381) 16.902 1.937 ( 3.195 8.959 7.172) 11.912 2.038 ( 0.766 12.085 2.683) 12.403 2.325 ( 2.322 15.018 -8.589) 17.455 2.510 ( -3.109 7.694 -0.900) 8.347 2.663 ( 1.748 4.178 -2.537) 5.191 2.808 ( -3.421 -0.238 -0.841) 3.530 2.963 ( -1.548 -1.596 0.630) 2.311 3.284 ( -3.009 6.669 -1.915) 7.563 3.345 ( 5.363 17.824 5.891) 19.523 3.398 ( -3.972 0.760 0.360) 4.060 3.440 ( -1.342 7.462 2.254) 7.910 3.666 ( 0.983 -0.514 -0.319) 1.154 3.856 ( -3.915 1.660 2.686) 5.029 3.971 ( 2.446 3.413 -0.644) 4.249 4.181 ( 1.524 0.200 1.494) 2.144 4.249 ( -0.390 4.828 -1.064) 4.960 4.358 ( 1.749 4.189 -4.270) 6.233 4.642 ( -0.008 2.313 0.806) 2.449 4.931 ( -0.552 -3.244 -0.390) 3.314 6.721 ( -1.823 0.426 -0.466) 1.930 6.774 ( -0.469 -2.094 -0.974) 2.357 7.147 ( -2.350 -0.262 -3.286) 4.049 7.347 ( 5.073 -0.378 0.115) 5.089 7.490 ( 2.763 -0.408 3.700) 4.636 7.834 ( -0.477 -8.952 -0.228) 8.968 8.988 ( -4.251 17.708 5.502) 19.024 9.328 ( -4.219 20.132 -4.552) 21.067 17.562 ( 0.506 8.876 6.876) 11.239 18.178 ( -0.058 -2.940 0.299) 2.956 ======================= Grid point 247 (118/182) ======================= q-point: ( 0.25 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.874 ( 9.251 9.843 -0.720) 13.527 2.041 ( 4.020 8.530 2.793) 9.835 2.151 ( 6.967 6.762 5.991) 11.408 2.295 ( 0.966 14.534 -6.861) 16.101 2.445 ( -3.801 8.438 1.806) 9.429 2.654 ( -3.796 3.433 -0.349) 5.131 2.752 ( 0.429 1.415 -1.590) 2.171 2.975 ( 0.839 -1.998 2.075) 3.000 3.193 ( -4.039 3.220 -2.331) 5.667 3.322 ( -3.411 1.881 0.162) 3.898 3.418 ( -2.129 8.179 1.908) 8.664 3.497 ( 4.926 12.251 5.485) 14.298 3.638 ( -4.161 1.050 -1.345) 4.497 3.810 ( -0.890 0.889 0.069) 1.260 3.984 ( -0.196 3.332 -2.509) 4.175 4.201 ( 0.033 5.845 1.987) 6.173 4.282 ( 2.960 6.189 2.449) 7.285 4.357 ( 1.788 5.579 -5.973) 8.366 4.664 ( 1.266 -0.528 1.265) 1.866 4.911 ( -1.505 -0.992 0.048) 1.803 6.686 ( -1.781 -0.594 0.122) 1.881 6.754 ( -1.432 -1.241 0.021) 1.895 7.115 ( 1.363 0.705 -3.494) 3.816 7.394 ( 1.115 1.174 -2.312) 2.822 7.611 ( 6.177 -2.911 5.747) 8.925 7.826 ( -0.385 -8.901 0.843) 8.949 8.934 ( -4.892 15.505 4.775) 16.945 9.182 ( -7.962 19.286 -5.203) 21.504 17.609 ( 0.467 5.692 4.883) 7.514 18.187 ( 0.472 -4.201 1.246) 4.408 ======================= Grid point 248 (119/182) ======================= q-point: ( 0.38 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.028 ( 6.940 10.008 -1.414) 12.261 2.089 ( -0.288 12.330 -2.930) 12.676 2.207 ( 2.683 2.258 -4.772) 5.922 2.373 ( 2.870 5.374 6.628) 9.003 2.462 ( 4.313 6.979 6.685) 10.583 2.537 ( -7.595 4.647 1.163) 8.979 2.780 ( 2.703 2.308 -1.197) 3.750 2.996 ( 0.808 0.234 -0.896) 1.229 3.122 ( -2.814 1.092 0.137) 3.022 3.273 ( -2.047 1.007 0.210) 2.291 3.397 ( -1.053 6.278 1.405) 6.518 3.536 ( -4.479 3.993 -2.574) 6.529 3.589 ( 1.237 5.320 4.603) 7.143 3.805 ( 0.288 1.916 -0.161) 1.945 3.954 ( -0.182 3.824 -3.338) 5.079 4.204 ( -2.030 9.204 2.529) 9.759 4.315 ( -0.336 6.867 -1.583) 7.055 4.397 ( 5.165 5.522 -1.571) 7.723 4.703 ( 2.892 1.103 0.395) 3.120 4.876 ( -2.671 0.171 0.912) 2.828 6.662 ( -0.878 -1.712 0.247) 1.940 6.728 ( -1.228 0.034 0.190) 1.243 7.148 ( 3.727 1.080 -2.366) 4.545 7.374 ( -1.183 0.646 -3.786) 4.019 7.743 ( 3.258 -4.654 6.732) 8.809 7.841 ( 1.438 -8.462 2.008) 8.815 8.876 ( -3.731 14.491 2.427) 15.159 9.008 ( -6.743 18.379 -4.643) 20.120 17.632 ( -0.898 3.773 3.646) 5.324 18.206 ( 0.489 -5.623 1.896) 5.954 ======================= Grid point 249 (120/182) ======================= q-point: (-0.50 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.986 ( -5.369 16.264 -4.908) 17.817 2.104 ( 1.899 8.929 -0.995) 9.183 2.230 ( -4.919 2.760 1.574) 5.856 2.402 ( -0.647 1.809 0.294) 1.944 2.468 ( 3.509 2.202 5.459) 6.853 2.614 ( 4.396 4.806 4.053) 7.672 2.832 ( 3.292 4.503 -0.962) 5.660 3.005 ( 1.657 2.600 -1.013) 3.246 3.091 ( -1.015 -0.562 -0.098) 1.164 3.257 ( 0.449 0.029 0.047) 0.453 3.395 ( -0.477 3.774 1.523) 4.097 3.454 ( -2.707 5.859 -2.187) 6.815 3.595 ( -2.476 2.545 3.100) 4.713 3.815 ( 0.505 5.543 -1.143) 5.682 3.962 ( 1.443 5.002 0.267) 5.213 4.145 ( -3.309 7.308 -1.209) 8.113 4.305 ( -0.248 5.752 0.764) 5.807 4.458 ( 2.044 4.439 -1.871) 5.233 4.763 ( 1.545 2.938 -0.228) 3.327 4.838 ( -0.500 1.454 1.425) 2.096 6.658 ( 0.392 -1.990 0.072) 2.030 6.719 ( 0.217 0.757 0.043) 0.788 7.205 ( 3.264 1.455 -1.099) 3.739 7.312 ( -2.685 -0.857 -4.352) 5.185 7.789 ( -2.222 -6.105 6.728) 9.353 7.902 ( 3.091 -8.297 1.606) 8.999 8.817 ( -3.470 15.719 0.600) 16.109 8.934 ( 1.912 17.914 -2.990) 18.262 17.619 ( -2.908 4.071 3.806) 6.286 18.224 ( 0.041 -6.305 1.897) 6.584 ======================= Grid point 250 (121/182) ======================= q-point: (-0.38 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.864 ( -6.072 19.304 0.235) 20.238 2.021 ( -12.768 7.044 2.942) 14.876 2.152 ( 1.603 10.353 -2.190) 10.703 2.473 ( 3.400 0.602 3.646) 5.021 2.537 ( 1.364 -1.314 1.343) 2.322 2.695 ( 3.811 4.937 0.890) 6.300 2.833 ( -1.503 6.610 -6.243) 9.215 3.066 ( 0.341 1.454 -2.243) 2.695 3.085 ( 4.899 1.053 2.145) 5.450 3.284 ( 1.855 0.995 -0.476) 2.158 3.382 ( -0.804 1.784 1.573) 2.511 3.431 ( 0.260 10.666 0.357) 10.676 3.564 ( -2.596 2.077 4.095) 5.275 3.797 ( -2.457 6.913 -0.458) 7.351 3.946 ( -1.275 5.106 -1.096) 5.375 4.150 ( 2.616 0.444 0.517) 2.703 4.307 ( -0.490 5.086 1.185) 5.245 4.449 ( -0.974 3.511 -2.447) 4.389 4.731 ( -2.427 3.530 -0.516) 4.315 4.889 ( 2.898 1.878 0.466) 3.485 6.677 ( 1.701 -1.580 -0.189) 2.329 6.738 ( 1.972 0.209 -0.229) 1.996 7.206 ( -2.989 1.297 -4.070) 5.214 7.269 ( 1.184 -0.789 -0.224) 1.441 7.765 ( -4.325 -6.138 5.622) 9.380 7.931 ( -0.807 -8.713 -0.605) 8.771 8.806 ( 1.547 17.319 3.361) 17.710 9.011 ( 7.893 18.592 -3.595) 20.516 17.577 ( -4.485 6.567 5.119) 9.458 18.229 ( -0.546 -5.949 1.384) 6.132 ======================= Grid point 251 (122/182) ======================= q-point: (-0.25 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.741 ( -9.381 15.777 2.669) 18.549 1.864 ( -5.395 19.610 6.222) 21.269 2.156 ( -0.462 10.858 -1.725) 11.004 2.516 ( -1.037 -0.185 -0.622) 1.223 2.562 ( 1.811 -0.279 1.050) 2.111 2.723 ( -3.958 5.934 -6.972) 9.974 2.774 ( 3.769 8.373 -1.635) 9.327 3.024 ( -1.275 5.623 -4.701) 7.439 3.190 ( 2.375 4.548 0.458) 5.151 3.312 ( 2.596 1.304 1.285) 3.176 3.424 ( 2.905 0.902 2.142) 3.721 3.447 ( 0.485 10.180 4.277) 11.053 3.569 ( 0.272 -0.037 5.568) 5.574 3.732 ( -3.298 7.434 -1.349) 8.243 3.953 ( 1.557 -2.414 0.138) 2.876 4.172 ( -0.613 2.181 0.691) 2.369 4.278 ( -3.007 4.105 -0.107) 5.090 4.426 ( 0.214 2.625 -3.025) 4.011 4.706 ( 0.117 5.233 -0.533) 5.261 4.920 ( 0.556 -0.774 -0.242) 0.983 6.714 ( 2.401 -1.208 -0.624) 2.759 6.781 ( 2.698 -1.318 -0.887) 3.131 7.120 ( -2.640 0.651 -3.866) 4.726 7.294 ( 0.721 1.390 1.411) 2.108 7.693 ( -6.971 -5.712 3.235) 9.575 7.886 ( -2.289 -8.081 -1.228) 8.488 8.894 ( 4.091 18.445 5.299) 19.622 9.156 ( 9.962 19.357 -3.922) 22.120 17.528 ( -4.592 9.968 6.902) 12.965 18.221 ( -0.976 -4.817 0.625) 4.955 ======================= Grid point 252 (123/182) ======================= q-point: (-0.12 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.614 ( -5.196 16.113 3.409) 17.270 1.857 ( -1.759 23.647 8.597) 25.223 2.115 ( -2.872 12.670 -0.814) 13.017 2.432 ( -3.880 2.274 -9.063) 10.117 2.585 ( -0.356 3.386 0.142) 3.408 2.649 ( 0.382 6.985 -3.207) 7.696 2.819 ( 2.276 5.145 -3.468) 6.609 3.009 ( 1.538 9.637 2.183) 10.000 3.171 ( -2.273 8.752 -2.616) 9.413 3.376 ( 2.323 1.500 1.441) 3.118 3.451 ( -1.148 7.098 2.059) 7.479 3.505 ( 1.462 -1.720 1.811) 2.894 3.660 ( -0.066 3.150 -1.501) 3.490 3.673 ( 3.090 0.631 9.116) 9.646 3.968 ( -0.598 0.573 -0.063) 0.830 4.155 ( -1.705 3.605 2.141) 4.527 4.247 ( 0.957 1.157 -1.390) 2.046 4.396 ( -1.143 2.239 -4.055) 4.771 4.704 ( -0.617 7.065 -1.436) 7.236 4.923 ( 0.378 -4.339 -0.014) 4.356 6.749 ( 1.745 -1.047 -1.191) 2.357 6.804 ( 0.382 -2.124 -2.140) 3.040 7.097 ( 2.529 0.754 -1.426) 2.999 7.307 ( -0.513 1.988 1.363) 2.465 7.561 ( -7.822 -4.171 1.163) 8.941 7.854 ( -0.833 -8.282 -0.346) 8.331 8.983 ( 1.673 19.526 5.199) 20.275 9.302 ( 7.850 19.887 -3.601) 21.681 17.503 ( -3.068 12.137 8.243) 14.989 18.203 ( -1.060 -3.486 -0.049) 3.644 ======================= Grid point 253 (124/182) ======================= q-point: ( 0.00 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 292 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.954 ( 1.956 16.475 -0.461) 16.597 2.149 ( -4.208 8.226 -2.092) 9.474 2.436 ( -4.465 22.407 5.852) 23.586 2.565 ( 4.712 9.778 1.510) 10.958 2.671 ( 3.401 2.519 -0.212) 4.238 2.745 ( -1.215 5.376 -2.576) 6.084 2.903 ( -1.618 8.631 -6.557) 10.960 3.029 ( -4.064 -0.561 -6.385) 7.590 3.401 ( 5.147 -4.101 2.037) 6.889 3.426 ( -2.782 -1.073 3.749) 4.790 3.469 ( -1.034 1.018 2.772) 3.128 3.551 ( 1.803 7.751 1.569) 8.111 3.677 ( -1.600 3.424 0.749) 3.853 3.898 ( 3.777 6.663 3.571) 8.451 4.055 ( 2.367 4.031 0.229) 4.681 4.150 ( -3.743 0.819 -1.161) 4.004 4.265 ( 1.829 -1.109 1.232) 2.469 4.403 ( 0.455 0.642 -1.642) 1.821 4.785 ( -4.929 3.071 -0.334) 5.817 4.878 ( 3.022 1.292 -1.025) 3.442 6.750 ( -0.670 -0.474 -0.648) 1.046 6.783 ( 0.869 1.323 -1.487) 2.172 7.190 ( 3.226 1.785 -0.286) 3.698 7.250 ( -2.833 -2.618 -0.883) 3.957 7.466 ( -0.707 0.730 3.325) 3.476 7.712 ( -0.645 -4.219 -1.033) 4.391 9.401 ( -2.265 17.837 4.767) 18.601 9.742 ( 2.520 14.301 -5.366) 15.481 17.780 ( 0.085 12.992 0.547) 13.004 18.177 ( -0.323 1.198 -0.789) 1.471 ======================= Grid point 254 (125/182) ======================= q-point: ( 0.12 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.000 ( 2.785 12.236 -2.250) 12.749 2.118 ( 2.301 10.077 2.584) 10.655 2.385 ( -4.001 17.910 5.154) 19.062 2.644 ( 0.334 13.228 -1.749) 13.348 2.674 ( -1.682 6.403 -0.651) 6.652 2.739 ( 1.831 2.744 -0.863) 3.410 2.861 ( 0.596 9.545 -3.370) 10.140 2.908 ( -4.649 -3.087 -1.354) 5.742 3.306 ( -7.059 -2.517 -0.523) 7.512 3.391 ( -4.084 -3.016 2.177) 5.524 3.542 ( 1.021 3.727 0.478) 3.894 3.645 ( 2.799 8.836 3.559) 9.929 3.692 ( 4.698 1.293 -0.124) 4.875 3.912 ( -3.179 4.664 -0.333) 5.654 4.063 ( -0.033 3.697 -2.258) 4.332 4.166 ( 4.029 0.487 2.370) 4.700 4.288 ( 1.150 -0.904 0.707) 1.625 4.420 ( 1.967 0.614 -2.664) 3.368 4.725 ( -1.794 4.935 2.202) 5.694 4.923 ( 2.715 2.557 -1.420) 3.991 6.726 ( -1.884 -0.480 -0.179) 1.952 6.783 ( 0.457 2.830 -1.518) 3.244 7.159 ( -2.118 0.682 -1.790) 2.856 7.309 ( 5.454 -2.541 0.457) 6.034 7.492 ( 1.228 0.645 3.307) 3.586 7.693 ( -0.876 -4.648 -0.484) 4.755 9.350 ( -6.210 16.894 4.984) 18.677 9.687 ( -4.734 13.732 -5.598) 15.566 17.783 ( -0.067 11.562 0.335) 11.567 18.164 ( -0.683 0.896 -0.304) 1.167 ======================= Grid point 255 (126/182) ======================= q-point: ( 0.25 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 292 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.052 ( 4.933 8.910 -0.551) 10.199 2.233 ( 5.781 8.131 4.685) 11.022 2.345 ( -3.700 10.385 1.946) 11.195 2.562 ( -2.937 8.772 -4.702) 10.377 2.645 ( -3.277 10.324 0.608) 10.849 2.733 ( -2.120 5.899 0.477) 6.287 2.833 ( -0.082 3.908 0.201) 3.914 2.933 ( 3.698 2.223 1.179) 4.473 3.183 ( -5.570 -2.562 -1.090) 6.227 3.336 ( -2.735 -1.737 0.551) 3.286 3.515 ( -2.855 3.116 -0.473) 4.252 3.660 ( -2.443 4.077 3.138) 5.695 3.765 ( 0.140 7.045 -1.197) 7.147 3.858 ( 0.246 3.126 0.060) 3.136 4.031 ( -0.670 1.671 -4.763) 5.092 4.259 ( 2.988 2.228 3.351) 5.012 4.352 ( 5.245 -1.368 1.141) 5.539 4.422 ( 0.422 0.022 -3.768) 3.792 4.748 ( 2.462 8.029 2.681) 8.816 4.954 ( 1.214 4.959 -0.847) 5.176 6.685 ( -2.267 0.315 0.127) 2.292 6.783 ( 0.373 3.845 -1.035) 4.000 7.135 ( 0.762 0.506 -2.030) 2.226 7.382 ( 2.117 -2.313 -1.777) 3.604 7.558 ( 3.522 -1.544 4.608) 6.002 7.681 ( -0.415 -4.962 1.136) 5.107 9.253 ( -7.179 14.879 4.610) 17.152 9.521 ( -8.947 12.944 -5.618) 16.708 17.782 ( -0.228 9.925 0.042) 9.927 18.151 ( -0.599 0.051 0.333) 0.688 ======================= Grid point 256 (127/182) ======================= q-point: ( 0.38 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.166 ( 5.833 3.585 0.221) 6.850 2.263 ( -3.211 5.181 0.975) 6.173 2.322 ( 0.239 6.836 0.273) 6.845 2.526 ( 0.617 7.979 -3.559) 8.759 2.572 ( -4.418 4.646 1.972) 6.707 2.724 ( -0.340 13.272 4.424) 13.994 2.859 ( 2.359 4.111 1.404) 4.943 2.996 ( 2.769 1.745 -0.347) 3.291 3.105 ( -2.162 -1.460 -0.017) 2.609 3.295 ( -1.911 -0.269 -0.795) 2.088 3.459 ( -2.398 2.021 -0.624) 3.197 3.594 ( -5.301 2.254 0.696) 5.803 3.729 ( -1.399 5.791 -0.816) 6.013 3.914 ( 2.728 5.461 5.058) 7.928 3.990 ( -0.260 0.773 -6.323) 6.376 4.301 ( -0.108 2.683 1.209) 2.944 4.398 ( -0.735 0.946 -1.673) 2.058 4.459 ( 5.257 -1.535 -0.594) 5.509 4.833 ( 4.983 9.223 1.297) 10.563 4.946 ( -2.015 7.122 0.105) 7.403 6.654 ( -1.187 0.823 0.257) 1.467 6.785 ( 0.379 5.128 -0.436) 5.160 7.154 ( 2.442 -1.164 -2.060) 3.400 7.367 ( -1.432 -0.894 -3.630) 4.003 7.648 ( 1.759 -3.911 5.776) 7.194 7.702 ( 1.865 -5.081 2.218) 5.849 9.163 ( -4.799 12.986 3.014) 14.168 9.330 ( -7.280 12.447 -4.755) 15.183 17.776 ( -0.296 9.002 -0.125) 9.008 18.148 ( -0.160 -0.833 0.712) 1.108 ======================= Grid point 257 (128/182) ======================= q-point: (-0.50 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 292 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.159 ( -1.086 -0.587 -2.003) 2.353 2.278 ( -2.805 7.380 -1.329) 8.006 2.350 ( 4.362 6.939 4.950) 9.575 2.442 ( -4.886 5.432 -1.195) 7.404 2.568 ( 0.499 4.188 -0.491) 4.246 2.756 ( 0.624 10.919 4.792) 11.941 2.931 ( 4.228 5.919 -0.006) 7.274 3.038 ( 1.886 0.525 1.011) 2.204 3.105 ( 1.763 1.961 -0.993) 2.817 3.257 ( -0.910 -0.335 -1.172) 1.521 3.428 ( -0.936 1.206 -0.274) 1.551 3.514 ( -2.828 2.542 0.329) 3.817 3.719 ( 0.260 5.120 0.163) 5.129 3.939 ( -0.714 1.800 -5.546) 5.874 4.004 ( 2.245 2.693 6.902) 7.742 4.256 ( -3.720 4.138 -3.585) 6.619 4.391 ( -0.404 2.686 2.164) 3.472 4.519 ( 2.147 -0.385 -2.358) 3.213 4.886 ( -4.375 6.247 1.305) 7.737 4.926 ( 4.162 8.821 0.024) 9.754 6.647 ( 0.316 0.843 0.209) 0.925 6.792 ( 0.566 5.848 -0.436) 5.892 7.186 ( 1.812 -3.979 -1.754) 4.711 7.307 ( -2.146 1.214 -3.275) 4.100 7.680 ( -1.614 -4.257 5.344) 7.021 7.759 ( 2.061 -5.791 1.948) 6.448 9.115 ( -2.029 12.925 1.675) 13.190 9.248 ( 1.880 12.222 -3.575) 12.872 17.771 ( -0.231 9.312 -0.067) 9.315 18.154 ( 0.359 -1.212 0.618) 1.407 ======================= Grid point 258 (129/182) ======================= q-point: (-0.38 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.147 ( -1.691 5.403 -0.771) 5.714 2.227 ( -1.994 12.009 1.107) 12.224 2.318 ( -1.858 5.825 0.596) 6.143 2.490 ( 3.488 2.211 3.907) 5.685 2.559 ( -0.886 1.822 -0.928) 2.228 2.805 ( 2.298 9.108 1.965) 9.597 2.967 ( 0.932 6.750 -4.523) 8.179 3.076 ( 1.580 -0.457 -1.085) 1.970 3.136 ( 2.996 3.763 -0.010) 4.810 3.270 ( 1.654 -2.066 0.026) 2.647 3.422 ( 0.836 3.250 0.886) 3.470 3.514 ( 1.575 2.072 2.277) 3.458 3.724 ( 0.194 7.102 -0.548) 7.125 3.896 ( -0.856 -2.677 -3.743) 4.681 4.048 ( -3.930 7.110 4.792) 9.432 4.173 ( -0.809 3.151 -1.961) 3.799 4.389 ( -1.660 3.008 2.372) 4.175 4.510 ( -0.934 0.848 -3.235) 3.472 4.819 ( -3.508 5.072 1.991) 6.480 4.977 ( 1.340 6.077 -0.775) 6.271 6.667 ( 1.771 0.644 -0.000) 1.885 6.797 ( 0.375 4.731 -1.024) 4.855 7.174 ( -1.680 -4.022 -2.566) 5.058 7.283 ( 0.956 2.127 -0.464) 2.378 7.660 ( -3.825 -3.996 4.565) 7.173 7.781 ( -0.530 -6.069 0.097) 6.093 9.137 ( 3.252 14.581 3.346) 15.309 9.335 ( 9.322 12.506 -4.486) 16.230 17.768 ( -0.081 10.709 0.145) 10.711 18.166 ( 0.691 -0.875 0.141) 1.123 ======================= Grid point 259 (130/182) ======================= q-point: (-0.25 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 292 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.050 ( -6.019 14.656 -0.958) 15.873 2.230 ( -0.219 11.739 3.627) 12.289 2.375 ( 5.085 10.070 1.233) 11.348 2.527 ( -0.935 0.637 -2.995) 3.201 2.556 ( 1.091 1.086 4.937) 5.171 2.828 ( -0.218 7.845 -3.489) 8.589 2.961 ( 2.545 8.481 -4.034) 9.730 3.083 ( 1.493 0.262 -4.529) 4.776 3.202 ( 3.314 0.943 -0.824) 3.543 3.300 ( 1.976 -3.635 2.358) 4.762 3.466 ( 1.841 4.529 1.571) 5.135 3.575 ( 1.847 1.543 5.269) 5.793 3.722 ( 0.287 10.203 -0.853) 10.243 3.852 ( -4.099 -5.407 0.282) 6.791 3.960 ( -2.403 12.113 -0.601) 12.364 4.194 ( 0.918 -0.472 2.079) 2.321 4.348 ( -4.213 2.822 1.165) 5.203 4.466 ( -1.597 0.528 -2.644) 3.133 4.795 ( -0.058 3.198 1.336) 3.466 4.962 ( -2.286 4.247 -1.315) 4.999 6.708 ( 2.669 0.485 -0.235) 2.723 6.791 ( -0.121 1.862 -1.681) 2.511 7.131 ( -0.839 0.081 -1.850) 2.032 7.308 ( 1.107 0.460 0.792) 1.437 7.593 ( -6.222 -3.692 3.288) 7.947 7.755 ( -1.349 -4.928 -1.043) 5.215 9.254 ( 5.726 16.138 4.953) 17.825 9.502 ( 11.640 13.545 -5.523) 18.694 17.770 ( 0.071 12.398 0.391) 12.404 18.178 ( 0.659 -0.043 -0.449) 0.799 ======================= Grid point 260 (131/182) ======================= q-point: (-0.12 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.962 ( -2.554 17.160 -0.866) 17.371 2.229 ( -2.733 9.793 1.149) 10.232 2.436 ( 0.198 17.028 4.078) 17.511 2.521 ( 1.349 8.228 -1.864) 8.543 2.604 ( 2.541 -0.558 2.036) 3.304 2.784 ( -0.938 7.202 -4.504) 8.547 2.966 ( 0.371 9.015 -7.500) 11.733 3.091 ( 1.370 0.357 -4.273) 4.502 3.257 ( 4.744 -3.011 0.695) 5.662 3.382 ( 4.093 -1.561 3.877) 5.849 3.483 ( -0.965 1.940 2.059) 2.989 3.588 ( -3.757 4.060 2.849) 6.222 3.734 ( -4.518 2.013 2.872) 5.720 3.788 ( 3.537 9.618 2.062) 10.453 3.993 ( 3.898 4.253 0.045) 5.770 4.221 ( 1.249 -1.206 1.772) 2.481 4.254 ( -5.976 2.624 -0.356) 6.536 4.425 ( -1.291 0.202 -1.960) 2.355 4.827 ( 2.615 1.443 0.229) 2.996 4.885 ( -4.852 3.267 -1.537) 6.048 6.752 ( 1.696 0.969 -0.112) 1.957 6.776 ( 0.111 -0.654 -2.190) 2.288 7.134 ( 2.084 2.228 -0.674) 3.124 7.312 ( -1.636 -1.291 -0.029) 2.085 7.496 ( -5.144 -1.406 2.811) 6.029 7.730 ( -0.713 -4.167 -1.027) 4.350 9.367 ( 2.725 17.400 4.917) 18.286 9.665 ( 9.083 14.283 -5.483) 17.792 17.775 ( 0.141 13.353 0.557) 13.365 18.183 ( 0.248 0.806 -0.836) 1.188 ======================= Grid point 261 (132/182) ======================= q-point: ( 0.00 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.262 ( -1.195 11.683 -0.925) 11.780 2.334 ( -0.596 11.502 -1.768) 11.652 2.570 ( 0.572 -4.683 4.433) 6.474 2.706 ( 3.533 0.589 -1.548) 3.902 2.881 ( -0.639 9.334 1.116) 9.422 2.914 ( -5.015 14.864 1.300) 15.741 3.001 ( -1.869 1.950 -4.475) 5.227 3.125 ( 1.571 5.346 -2.836) 6.252 3.259 ( 4.275 -7.641 2.895) 9.222 3.424 ( -4.938 6.528 0.624) 8.209 3.458 ( 1.450 -3.504 2.503) 4.544 3.667 ( 2.661 3.486 -2.106) 4.865 3.714 ( -0.390 0.275 0.488) 0.682 3.963 ( 1.303 -4.974 0.129) 5.143 4.108 ( -0.112 2.047 0.572) 2.128 4.180 ( 0.539 3.408 0.861) 3.556 4.280 ( -1.029 2.247 0.403) 2.504 4.373 ( -0.411 -3.027 -0.745) 3.145 4.832 ( -1.839 3.374 2.754) 4.728 4.930 ( 2.069 1.285 -1.802) 3.030 6.752 ( -0.798 0.740 -0.814) 1.359 6.799 ( 1.609 -0.152 -0.646) 1.741 7.206 ( -0.665 -0.863 -0.853) 1.384 7.217 ( 0.597 0.150 -0.123) 0.627 7.508 ( -0.729 3.294 2.861) 4.423 7.646 ( -0.759 -2.753 -0.662) 2.932 9.727 ( -1.446 13.235 2.304) 13.512 9.938 ( 1.697 4.442 -4.343) 6.440 18.021 ( 0.625 9.731 -3.405) 10.328 18.202 ( 0.249 0.389 -2.607) 2.648 ======================= Grid point 262 (133/182) ======================= q-point: ( 0.12 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.241 ( -0.368 11.363 0.352) 11.374 2.349 ( 2.332 11.549 -0.420) 11.789 2.577 ( -2.666 -1.180 1.515) 3.286 2.713 ( -1.054 -3.670 -1.246) 4.017 2.805 ( -6.723 4.952 1.830) 8.548 2.857 ( -2.968 6.420 1.360) 7.202 2.942 ( -1.666 8.605 -1.472) 8.887 3.154 ( 2.470 12.301 -2.970) 12.893 3.232 ( -4.942 -4.347 -1.612) 6.776 3.332 ( -4.368 2.993 3.363) 6.273 3.599 ( 7.567 -1.294 0.877) 7.727 3.645 ( -2.787 -3.161 1.130) 4.363 3.758 ( 4.382 3.345 -2.393) 6.010 3.957 ( -2.035 -3.079 -0.809) 3.778 4.118 ( 0.099 2.065 -0.825) 2.226 4.184 ( 0.495 0.601 1.928) 2.079 4.283 ( 1.082 1.605 0.844) 2.111 4.379 ( 0.878 -3.515 -0.554) 3.665 4.848 ( 2.142 6.629 2.306) 7.338 4.982 ( 4.403 1.643 -1.735) 5.010 6.734 ( -0.830 1.592 -0.212) 1.808 6.825 ( 2.036 0.155 -1.543) 2.560 7.166 ( -1.833 0.779 -0.299) 2.014 7.262 ( 2.905 -2.262 -0.423) 3.706 7.523 ( 0.340 2.371 3.027) 3.860 7.627 ( -1.014 -2.376 -0.170) 2.589 9.662 ( -6.955 12.779 2.548) 14.771 9.872 ( -5.772 4.052 -4.233) 8.225 18.004 ( -0.283 9.160 -2.984) 9.638 18.182 ( -0.699 0.125 -2.081) 2.199 ======================= Grid point 263 (134/182) ======================= q-point: ( 0.25 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.257 ( 0.801 10.729 1.688) 10.891 2.379 ( -0.366 5.891 1.525) 6.096 2.483 ( -6.456 2.826 -1.673) 7.243 2.663 ( -3.090 1.452 -4.038) 5.288 2.743 ( -0.928 -4.885 6.629) 8.287 2.810 ( -1.725 5.410 -2.463) 6.189 2.937 ( 0.851 7.615 2.737) 8.137 3.103 ( -3.246 1.706 -4.294) 5.647 3.191 ( -1.138 8.117 -0.079) 8.197 3.308 ( -0.553 3.886 2.178) 4.489 3.561 ( -4.571 -0.188 0.888) 4.661 3.688 ( -0.694 -2.215 0.296) 2.340 3.843 ( 6.360 0.718 -2.314) 6.806 3.880 ( -4.856 0.942 -1.865) 5.287 4.089 ( -1.568 2.959 -1.791) 3.797 4.253 ( 4.337 -5.598 3.814) 8.044 4.323 ( 2.046 2.100 1.186) 3.163 4.388 ( 0.579 -2.028 -0.356) 2.138 4.923 ( 4.464 7.970 0.701) 9.162 5.055 ( 4.234 3.098 -1.532) 5.465 6.719 ( -0.809 3.278 0.125) 3.379 6.855 ( 2.497 1.321 -2.306) 3.647 7.138 ( -1.133 0.925 -0.256) 1.485 7.307 ( 2.271 -4.610 -1.077) 5.251 7.556 ( 1.131 0.991 3.296) 3.623 7.614 ( -0.561 -1.955 1.375) 2.455 9.526 ( -8.928 11.130 2.494) 14.484 9.698 ( -9.749 4.100 -3.964) 11.294 17.979 ( -0.491 8.481 -2.477) 8.849 18.156 ( -0.863 -0.368 -1.422) 1.704 ======================= Grid point 264 (135/182) ======================= q-point: ( 0.38 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.223 ( -4.780 2.877 -0.855) 5.644 2.359 ( -5.716 -1.436 -1.266) 6.028 2.401 ( 2.323 7.020 3.888) 8.354 2.610 ( -0.510 0.843 -3.605) 3.737 2.726 ( -3.162 7.997 -1.361) 8.706 2.856 ( 5.618 -1.766 4.964) 7.702 2.997 ( 2.288 8.290 3.782) 9.395 3.041 ( 0.014 -0.675 -3.496) 3.560 3.157 ( -2.435 6.883 1.502) 7.454 3.310 ( -0.492 5.898 0.169) 5.921 3.488 ( -3.700 -0.515 0.835) 3.828 3.645 ( -2.489 0.759 -0.862) 2.741 3.780 ( -4.085 0.382 -2.519) 4.814 3.910 ( 2.274 -2.946 -5.204) 6.398 4.068 ( -0.530 4.966 3.568) 6.138 4.343 ( 2.511 -3.464 -1.592) 4.565 4.370 ( 2.537 -1.190 4.605) 5.390 4.404 ( 1.106 0.086 1.010) 1.500 5.000 ( 3.519 7.252 -0.555) 8.080 5.099 ( 1.417 5.010 -1.695) 5.476 6.706 ( -0.688 4.397 -0.022) 4.450 6.885 ( 2.195 2.029 -2.433) 3.854 7.121 ( -0.406 0.225 -0.522) 0.698 7.323 ( 0.500 -3.912 -1.828) 4.347 7.599 ( 0.779 -0.867 3.987) 4.154 7.627 ( 0.779 -2.263 2.415) 3.400 9.395 ( -6.125 9.115 1.696) 11.112 9.508 ( -7.517 4.657 -3.311) 9.442 17.960 ( 0.123 8.088 -2.171) 8.376 18.139 ( -0.160 -0.815 -1.021) 1.316 ======================= Grid point 265 (136/182) ======================= q-point: (-0.50 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.157 ( -0.082 0.978 -1.836) 2.082 2.280 ( -2.078 -3.357 -0.219) 3.954 2.469 ( 1.216 4.662 4.781) 6.788 2.575 ( -1.509 0.287 -2.447) 2.889 2.658 ( -3.139 9.431 -1.313) 10.026 2.976 ( 1.875 -1.021 1.150) 2.425 3.022 ( 3.739 6.370 1.463) 7.530 3.097 ( 3.235 4.525 -0.829) 5.624 3.146 ( 0.441 4.451 4.363) 6.248 3.292 ( -0.811 6.866 -0.903) 6.973 3.451 ( -0.229 0.143 0.086) 0.283 3.605 ( -1.510 4.709 -0.951) 5.035 3.724 ( -0.184 -4.063 -0.994) 4.187 3.863 ( -2.347 -6.078 -7.046) 9.597 4.105 ( 0.183 5.777 6.774) 8.904 4.339 ( -0.482 2.242 -3.289) 4.010 4.426 ( 0.766 0.080 2.370) 2.492 4.448 ( 1.729 -3.822 2.493) 4.880 5.020 ( -1.704 6.602 -0.427) 6.832 5.096 ( 0.126 5.399 -1.759) 5.680 6.698 ( -0.027 4.180 -0.041) 4.180 6.896 ( 0.412 1.059 -2.458) 2.708 7.117 ( 0.285 0.492 -0.488) 0.749 7.312 ( -0.302 -1.834 -1.628) 2.471 7.620 ( -1.103 -1.470 3.925) 4.334 7.662 ( 0.991 -3.471 2.179) 4.216 9.339 ( -0.685 8.514 0.928) 8.592 9.427 ( 1.368 4.988 -2.730) 5.848 17.959 ( 1.228 8.214 -2.225) 8.598 18.140 ( 0.987 -0.939 -1.111) 1.758 ======================= Grid point 266 (137/182) ======================= q-point: (-0.38 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.216 ( 7.073 1.918 -1.297) 7.442 2.286 ( 2.109 -1.228 1.662) 2.953 2.480 ( -2.277 5.114 1.804) 5.882 2.540 ( -1.319 0.220 1.175) 1.781 2.609 ( -1.371 6.916 0.151) 7.052 2.979 ( 0.209 -3.747 -1.894) 4.203 3.085 ( 1.567 7.431 -1.811) 7.808 3.123 ( 1.163 6.216 -1.580) 6.518 3.220 ( 3.143 5.722 5.782) 8.721 3.279 ( 0.215 6.253 -2.780) 6.847 3.490 ( 4.105 2.198 0.410) 4.674 3.588 ( 0.252 4.001 0.916) 4.112 3.757 ( 3.382 -4.375 -0.555) 5.558 3.765 ( -4.080 -7.738 -4.006) 9.621 4.139 ( -0.921 4.177 6.260) 7.581 4.293 ( -2.083 4.772 -4.099) 6.627 4.436 ( -1.346 1.399 1.818) 2.660 4.465 ( -0.568 -3.937 -0.099) 3.979 4.950 ( -5.042 7.047 0.947) 8.717 5.080 ( -1.451 2.709 -1.201) 3.299 6.707 ( 1.087 3.325 0.114) 3.500 6.869 ( -1.592 0.006 -2.221) 2.733 7.124 ( 0.822 1.438 -0.486) 1.727 7.301 ( 0.014 -1.283 -0.850) 1.539 7.605 ( -2.994 -1.058 3.440) 4.681 7.678 ( -0.264 -3.888 0.904) 4.001 9.393 ( 5.740 9.882 1.653) 11.547 9.515 ( 9.463 4.763 -3.453) 11.143 17.976 ( 2.173 8.786 -2.622) 9.423 18.159 ( 1.918 -0.655 -1.637) 2.605 ======================= Grid point 267 (138/182) ======================= q-point: (-0.25 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.305 ( 1.063 7.559 -0.177) 7.635 2.377 ( 4.070 4.907 1.506) 6.550 2.471 ( 2.404 2.462 0.793) 3.531 2.537 ( 1.815 0.702 -0.945) 2.163 2.634 ( 3.297 3.776 5.333) 7.319 2.974 ( 1.079 -4.952 -3.012) 5.896 3.065 ( -0.508 6.137 -4.508) 7.631 3.136 ( 1.130 7.316 -2.322) 7.758 3.230 ( -2.458 2.109 -1.959) 3.785 3.329 ( 4.484 9.137 2.458) 10.471 3.555 ( 0.422 3.410 0.567) 3.483 3.620 ( 0.884 0.286 2.644) 2.803 3.696 ( -0.313 -6.555 0.937) 6.629 3.827 ( 4.413 -1.135 -0.831) 4.632 4.145 ( -2.047 2.630 4.914) 5.937 4.219 ( -2.878 5.365 -4.517) 7.581 4.392 ( -3.825 1.093 0.431) 4.001 4.441 ( -1.549 -2.186 -1.022) 2.868 4.878 ( -3.515 5.190 2.368) 6.701 5.024 ( -3.745 0.764 -0.856) 3.917 6.736 ( 1.829 2.182 0.053) 2.848 6.821 ( -2.143 0.134 -1.693) 2.734 7.142 ( 1.460 1.902 -0.411) 2.433 7.295 ( -0.539 -2.463 -0.662) 2.607 7.559 ( -3.804 0.741 2.870) 4.822 7.671 ( -0.573 -3.434 0.051) 3.482 9.542 ( 8.165 11.327 2.416) 14.170 9.695 ( 11.976 4.916 -4.340) 13.654 18.002 ( 2.381 9.470 -3.144) 10.258 18.185 ( 2.099 -0.144 -2.291) 3.111 ======================= Grid point 268 (139/182) ======================= q-point: (-0.12 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.289 ( -1.168 12.613 -1.280) 12.732 2.380 ( -2.378 7.897 -0.789) 8.285 2.522 ( 1.346 -2.124 4.460) 5.120 2.620 ( 6.029 2.157 -1.223) 6.519 2.797 ( 8.552 7.847 3.602) 12.153 2.972 ( -0.701 6.202 -1.388) 6.394 3.036 ( 0.956 -0.553 -5.870) 5.973 3.131 ( 0.179 4.681 -2.388) 5.258 3.181 ( -0.563 -1.999 -0.194) 2.085 3.419 ( 3.737 8.100 0.759) 8.953 3.502 ( -5.395 -1.644 3.558) 6.668 3.646 ( 0.408 0.867 1.267) 1.589 3.721 ( 0.149 -0.502 0.432) 0.678 3.906 ( 4.373 -0.428 -0.080) 4.395 4.144 ( -2.879 -1.722 0.407) 3.379 4.147 ( 0.463 6.328 0.395) 6.357 4.322 ( -3.415 2.489 -0.253) 4.233 4.402 ( -1.831 -2.045 -0.863) 2.877 4.851 ( -1.669 2.564 2.781) 4.135 4.949 ( -3.061 0.887 -1.339) 3.457 6.769 ( 1.745 0.633 -0.947) 2.084 6.779 ( -1.365 0.654 -0.465) 1.583 7.172 ( 2.051 1.563 -0.256) 2.592 7.264 ( -2.315 -2.916 -0.996) 3.854 7.518 ( -2.318 3.059 2.782) 4.740 7.661 ( -0.510 -3.027 -0.389) 3.094 9.681 ( 4.762 12.546 2.358) 13.625 9.865 ( 8.817 4.876 -4.484) 11.028 18.020 ( 1.729 9.860 -3.476) 10.597 18.203 ( 1.414 0.283 -2.693) 3.055 ======================= Grid point 269 (140/182) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.444 ( -0.728 -7.260 2.826) 7.825 2.444 ( -0.728 7.260 2.826) 7.825 2.587 ( 0.893 -10.575 -4.354) 11.471 2.587 ( 0.893 10.576 -4.355) 11.472 3.010 ( -3.527 -3.994 2.794) 6.016 3.010 ( -3.527 3.994 2.794) 6.017 3.105 ( 3.209 -6.502 -0.637) 7.279 3.105 ( 3.209 6.502 -0.637) 7.279 3.294 ( 0.712 -11.162 1.435) 11.277 3.294 ( 0.712 11.162 1.435) 11.277 3.667 ( -3.594 -8.345 0.925) 9.134 3.667 ( -3.594 8.345 0.925) 9.133 3.753 ( 3.727 -8.609 -3.899) 10.159 3.753 ( 3.727 8.610 -3.899) 10.160 4.187 ( -0.005 -3.421 2.230) 4.083 4.187 ( -0.005 3.421 2.230) 4.083 4.320 ( -1.387 -1.753 -0.855) 2.393 4.320 ( -1.387 1.753 -0.855) 2.393 4.908 ( 0.957 -3.082 0.875) 3.344 4.908 ( 0.957 3.082 0.875) 3.344 6.778 ( 0.273 -1.552 -0.671) 1.713 6.778 ( 0.273 1.552 -0.671) 1.713 7.208 ( 0.151 -0.724 -0.365) 0.825 7.208 ( 0.151 0.724 -0.365) 0.825 7.583 ( -0.813 -3.516 1.021) 3.751 7.583 ( -0.813 3.517 1.021) 3.751 9.925 ( 0.130 -5.488 -1.299) 5.641 9.925 ( 0.130 5.488 -1.299) 5.641 18.166 ( 0.643 -4.254 -4.030) 5.895 18.166 ( 0.643 4.254 -4.030) 5.895 ======================= Grid point 271 (141/182) ======================= q-point: ( 0.12 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.456 ( 0.165 -8.708 2.867) 9.169 2.456 ( 0.165 8.708 2.867) 9.169 2.569 ( -0.723 -8.920 -3.321) 9.545 2.569 ( -0.723 8.920 -3.321) 9.546 2.893 ( -8.197 -3.537 1.907) 9.129 2.893 ( -8.197 3.537 1.907) 9.129 3.098 ( -2.116 -7.367 -1.614) 7.833 3.098 ( -2.116 7.367 -1.615) 7.833 3.375 ( 3.081 -10.041 1.155) 10.566 3.375 ( 3.081 10.041 1.155) 10.566 3.589 ( -2.736 -7.117 0.918) 7.680 3.589 ( -2.737 7.118 0.918) 7.680 3.827 ( 4.995 -5.205 -3.075) 7.843 3.827 ( 4.995 5.205 -3.075) 7.843 4.172 ( -2.618 -2.467 1.416) 3.866 4.172 ( -2.618 2.467 1.416) 3.866 4.320 ( 1.406 -1.893 0.549) 2.421 4.320 ( 1.406 1.893 0.549) 2.421 4.962 ( 4.329 -3.623 -0.022) 5.645 4.962 ( 4.329 3.623 -0.022) 5.645 6.787 ( 1.181 -3.023 -0.651) 3.310 6.787 ( 1.181 3.023 -0.651) 3.310 7.208 ( 0.043 -2.815 -0.479) 2.856 7.208 ( 0.043 2.815 -0.479) 2.856 7.577 ( -0.540 -2.599 1.416) 3.008 7.577 ( -0.540 2.599 1.416) 3.009 9.855 ( -6.679 -5.492 -1.049) 8.710 9.855 ( -6.679 5.492 -1.049) 8.710 18.144 ( -0.501 -4.251 -3.443) 5.493 18.144 ( -0.500 4.252 -3.444) 5.494 ======================= Grid point 273 (142/182) ======================= q-point: ( 0.25 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.438 ( -5.952 -3.191 0.736) 6.794 2.438 ( -5.952 3.191 0.736) 6.794 2.535 ( -0.097 -6.932 0.531) 6.953 2.535 ( -0.097 6.932 0.531) 6.953 2.801 ( -0.877 -5.099 -1.131) 5.296 2.801 ( -0.877 5.099 -1.131) 5.296 3.047 ( -2.225 -5.321 -0.826) 5.827 3.047 ( -2.225 5.322 -0.826) 5.827 3.380 ( -2.183 -7.664 2.185) 8.263 3.380 ( -2.183 7.664 2.185) 8.263 3.574 ( -1.094 -7.067 0.335) 7.159 3.574 ( -1.093 7.067 0.335) 7.159 3.874 ( 2.128 -1.680 -4.687) 5.415 3.874 ( 2.128 1.681 -4.687) 5.415 4.147 ( -0.639 -3.754 3.185) 4.965 4.147 ( -0.639 3.754 3.185) 4.965 4.358 ( 1.947 -1.220 1.041) 2.523 4.358 ( 1.947 1.221 1.041) 2.523 5.049 ( 5.055 -3.651 -1.049) 6.323 5.049 ( 5.055 3.651 -1.049) 6.323 6.809 ( 1.563 -4.633 -0.937) 4.978 6.809 ( 1.563 4.633 -0.937) 4.978 7.205 ( 0.151 -4.906 -0.647) 4.951 7.205 ( 0.151 4.906 -0.647) 4.951 7.583 ( -0.074 -1.380 2.188) 2.588 7.583 ( -0.074 1.381 2.188) 2.588 9.691 ( -9.804 -4.527 -0.827) 10.830 9.691 ( -9.804 4.527 -0.827) 10.830 18.112 ( -0.734 -4.245 -2.724) 5.097 18.112 ( -0.734 4.246 -2.724) 5.098 ======================= Grid point 275 (143/182) ======================= q-point: ( 0.38 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.294 ( -7.462 -3.803 -0.976) 8.432 2.294 ( -7.462 3.803 -0.976) 8.432 2.549 ( 0.183 -6.186 0.695) 6.228 2.549 ( 0.183 6.187 0.695) 6.228 2.835 ( 3.728 -1.852 -1.545) 4.440 2.835 ( 3.728 1.852 -1.546) 4.440 3.024 ( -0.035 -1.868 1.974) 2.718 3.024 ( -0.035 1.868 1.974) 2.718 3.352 ( -2.167 -8.487 2.547) 9.122 3.352 ( -2.166 8.487 2.547) 9.122 3.542 ( -1.892 -8.741 0.159) 8.945 3.542 ( -1.892 8.742 0.159) 8.946 3.836 ( -1.996 -4.105 -6.858) 8.238 3.836 ( -1.997 4.105 -6.858) 8.238 4.192 ( 2.092 -7.370 4.636) 8.954 4.192 ( 2.092 7.370 4.636) 8.954 4.399 ( 1.644 -0.899 1.462) 2.377 4.399 ( 1.644 0.900 1.462) 2.377 5.115 ( 2.828 -3.118 -1.770) 4.567 5.115 ( 2.828 3.118 -1.770) 4.567 6.822 ( 0.549 -6.050 -1.636) 6.291 6.822 ( 0.549 6.050 -1.636) 6.291 7.210 ( 0.730 -6.407 -0.422) 6.462 7.210 ( 0.730 6.407 -0.422) 6.462 7.600 ( 0.207 -0.678 2.718) 2.809 7.600 ( 0.206 0.679 2.717) 2.808 9.523 ( -7.121 -3.008 -0.793) 7.771 9.523 ( -7.121 3.008 -0.793) 7.771 18.090 ( 0.079 -4.257 -2.286) 4.832 18.090 ( 0.079 4.258 -2.286) 4.834 ======================= Grid point 277 (144/182) ======================= q-point: (-0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.204 ( -1.055 -3.369 -1.017) 3.673 2.204 ( -1.054 3.369 -1.017) 3.674 2.544 ( -1.128 -2.657 0.814) 2.999 2.544 ( -1.128 2.657 0.814) 2.999 2.852 ( -0.887 -8.576 -1.851) 8.818 2.852 ( -0.887 8.576 -1.851) 8.818 3.088 ( 4.466 -2.012 2.954) 5.721 3.088 ( 4.467 2.012 2.954) 5.721 3.346 ( 0.288 -8.009 2.402) 8.367 3.346 ( 0.288 8.010 2.402) 8.367 3.528 ( 0.663 -10.166 0.018) 10.187 3.528 ( 0.663 10.166 0.018) 10.187 3.741 ( -3.743 -5.211 -5.805) 8.653 3.741 ( -3.744 5.211 -5.806) 8.653 4.247 ( 1.100 -7.721 2.694) 8.251 4.247 ( 1.100 7.721 2.694) 8.251 4.433 ( 0.690 -1.104 1.988) 2.376 4.433 ( 0.690 1.104 1.988) 2.376 5.123 ( -0.842 -2.497 -1.702) 3.137 5.123 ( -0.842 2.497 -1.702) 3.137 6.812 ( -0.340 -6.346 -1.598) 6.553 6.812 ( -0.340 6.346 -1.598) 6.553 7.220 ( 0.557 -6.432 -0.476) 6.473 7.220 ( 0.557 6.431 -0.476) 6.473 7.617 ( -0.275 -1.018 2.669) 2.870 7.617 ( -0.274 1.020 2.668) 2.870 9.453 ( 0.490 -2.336 -0.892) 2.548 9.453 ( 0.490 2.336 -0.892) 2.548 18.090 ( 1.478 -4.275 -2.376) 5.109 18.090 ( 1.479 4.276 -2.376) 5.110 ======================= Grid point 279 (145/182) ======================= q-point: (-0.38 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.251 ( 6.126 -1.769 0.263) 6.382 2.251 ( 6.126 1.770 0.263) 6.382 2.526 ( -1.264 -0.998 1.601) 2.271 2.526 ( -1.264 0.998 1.601) 2.271 2.808 ( -2.298 -10.200 -1.411) 10.551 2.808 ( -2.298 10.200 -1.411) 10.551 3.162 ( 1.980 -0.852 -0.526) 2.219 3.162 ( 1.980 0.853 -0.526) 2.219 3.391 ( 2.679 -6.351 1.668) 7.092 3.391 ( 2.679 6.351 1.668) 7.092 3.561 ( 2.003 -10.869 -1.460) 11.148 3.561 ( 2.003 10.869 -1.460) 11.148 3.659 ( -1.268 -3.253 -0.696) 3.560 3.659 ( -1.268 3.253 -0.696) 3.560 4.259 ( -0.980 -6.397 0.937) 6.540 4.259 ( -0.980 6.398 0.937) 6.540 4.441 ( -0.941 -0.788 0.947) 1.550 4.441 ( -0.941 0.788 0.948) 1.551 5.069 ( -4.022 -3.646 -0.658) 5.469 5.069 ( -4.022 3.647 -0.658) 5.469 6.798 ( -0.309 -5.025 -0.843) 5.105 6.798 ( -0.309 5.025 -0.843) 5.105 7.221 ( 0.010 -5.753 -0.719) 5.798 7.221 ( 0.010 5.753 -0.719) 5.797 7.618 ( -1.177 -1.984 2.076) 3.104 7.618 ( -1.177 1.985 2.076) 3.104 9.530 ( 8.098 -3.163 -1.024) 8.754 9.530 ( 8.098 3.163 -1.024) 8.754 18.112 ( 2.641 -4.272 -2.949) 5.824 18.112 ( 2.642 4.273 -2.949) 5.825 ======================= Grid point 281 (146/182) ======================= q-point: (-0.25 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.385 ( 5.429 -2.123 1.952) 6.148 2.385 ( 5.429 2.123 1.952) 6.147 2.543 ( 3.070 -1.265 1.234) 3.543 2.543 ( 3.070 1.265 1.234) 3.542 2.773 ( 0.402 -10.628 -1.132) 10.696 2.773 ( 0.401 10.628 -1.132) 10.696 3.160 ( -0.221 -2.019 -3.703) 4.224 3.160 ( -0.221 2.019 -3.704) 4.224 3.419 ( -1.477 -9.831 -0.439) 9.951 3.419 ( -1.477 9.831 -0.439) 9.951 3.561 ( 0.669 -4.436 2.445) 5.109 3.561 ( 0.669 4.436 2.445) 5.109 3.718 ( 4.980 -5.762 0.369) 7.624 3.718 ( 4.980 5.762 0.369) 7.625 4.226 ( -2.866 -4.408 0.402) 5.273 4.226 ( -2.866 4.408 0.402) 5.273 4.411 ( -2.108 -1.323 -0.903) 2.647 4.411 ( -2.108 1.324 -0.903) 2.648 4.985 ( -4.806 -4.247 0.812) 6.464 4.985 ( -4.806 4.247 0.812) 6.464 6.790 ( -0.276 -2.653 -0.390) 2.695 6.790 ( -0.276 2.653 -0.390) 2.696 7.215 ( -0.117 -4.529 -0.878) 4.615 7.215 ( -0.117 4.529 -0.878) 4.615 7.605 ( -1.289 -3.039 1.563) 3.653 7.605 ( -1.289 3.040 1.563) 3.653 9.703 ( 10.589 -3.978 -1.219) 11.377 9.703 ( 10.589 3.978 -1.219) 11.377 18.144 ( 2.874 -4.254 -3.679) 6.316 18.144 ( 2.874 4.254 -3.679) 6.316 ======================= Grid point 283 (147/182) ======================= q-point: (-0.12 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.437 ( -0.119 -4.456 3.035) 5.393 2.437 ( -0.119 4.456 3.035) 5.393 2.594 ( 1.462 -6.839 -3.335) 7.748 2.594 ( 1.462 6.840 -3.335) 7.748 2.876 ( 10.048 -3.878 2.767) 11.120 2.876 ( 10.048 3.878 2.767) 11.120 3.122 ( -1.217 -2.247 -4.148) 4.872 3.122 ( -1.217 2.248 -4.148) 4.872 3.348 ( -5.497 -11.035 2.034) 12.495 3.348 ( -5.497 11.035 2.034) 12.495 3.625 ( 3.804 -5.096 2.057) 6.684 3.625 ( 3.804 5.096 2.057) 6.684 3.772 ( 0.585 -7.374 -2.228) 7.725 3.772 ( 0.585 7.374 -2.228) 7.725 4.182 ( -1.637 -2.964 1.220) 3.599 4.182 ( -1.637 2.964 1.220) 3.599 4.363 ( -2.229 -1.804 -1.351) 3.170 4.363 ( -2.229 1.804 -1.351) 3.170 4.919 ( -2.787 -3.185 1.373) 4.450 4.919 ( -2.787 3.185 1.373) 4.450 6.782 ( -0.235 -0.416 -0.500) 0.692 6.782 ( -0.235 0.416 -0.500) 0.692 7.209 ( 0.032 -2.203 -0.692) 2.310 7.209 ( 0.032 2.204 -0.692) 2.310 7.593 ( -0.981 -3.674 1.208) 3.990 7.593 ( -0.981 3.675 1.208) 3.991 9.864 ( 7.114 -4.785 -1.366) 8.682 9.864 ( 7.114 4.785 -1.366) 8.682 18.166 ( 2.040 -4.247 -4.130) 6.266 18.166 ( 2.040 4.248 -4.131) 6.267 ======================= Grid point 325 (148/182) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.206 ( 0.000 0.000 0.000) 0.000 1.321 ( -0.000 0.000 -0.000) 0.000 1.608 ( -0.000 0.000 0.000) 0.000 1.654 ( -0.000 0.000 0.000) 0.000 2.280 ( 0.000 0.000 0.000) 0.000 2.390 ( -0.000 0.000 -0.000) 0.000 2.859 ( -0.000 0.000 0.000) 0.000 2.880 ( 0.000 0.000 0.000) 0.000 2.966 ( 0.000 0.000 0.000) 0.000 3.007 ( -0.000 0.000 -0.000) 0.000 3.055 ( 0.000 0.000 0.000) 0.000 3.290 ( 0.000 0.000 0.000) 0.000 3.603 ( -0.000 0.000 0.000) 0.000 3.757 ( -0.000 0.000 0.000) 0.000 3.958 ( 0.000 0.000 -0.000) 0.000 4.012 ( -0.000 0.000 0.000) 0.001 4.285 ( -0.000 0.000 0.000) 0.000 4.375 ( -0.000 0.000 0.000) 0.000 4.751 ( 0.000 0.000 0.000) 0.000 5.219 ( 0.000 0.000 0.000) 0.000 6.956 ( 0.000 0.000 0.000) 0.000 7.051 ( 0.000 0.000 -0.000) 0.000 7.052 ( -0.000 0.000 0.000) 0.000 7.242 ( -0.000 0.000 0.000) 0.000 7.600 ( 0.000 0.000 0.000) 0.000 7.650 ( -0.000 0.000 -0.000) 0.000 8.809 ( -0.000 0.000 -0.000) 0.000 8.989 ( -0.000 0.000 0.001) 0.001 17.756 ( 0.000 0.000 0.000) 0.000 18.511 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 327 (149/182) ======================= q-point: ( 0.12 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.281 ( 3.144 0.000 -16.018) 16.324 1.324 ( 12.937 0.000 -3.263) 13.342 1.635 ( 0.521 0.000 -7.588) 7.606 1.757 ( 4.788 0.000 13.183) 14.026 2.029 ( 2.574 0.000 -23.949) 24.087 2.676 ( 7.631 0.000 11.877) 14.117 2.770 ( -9.843 0.000 10.565) 14.440 2.834 ( -3.802 0.000 -1.731) 4.177 2.996 ( -1.406 0.000 -1.379) 1.969 3.031 ( -0.088 0.000 -1.685) 1.687 3.069 ( 7.600 0.000 4.695) 8.933 3.300 ( -0.091 0.000 4.075) 4.076 3.617 ( 2.262 0.000 -2.762) 3.570 3.794 ( 1.554 0.000 4.001) 4.292 3.957 ( -1.407 0.000 5.126) 5.315 3.996 ( 0.494 0.000 -7.416) 7.433 4.257 ( -2.870 0.000 3.542) 4.559 4.355 ( -2.720 0.000 -0.080) 2.721 4.771 ( 2.868 0.000 -2.704) 3.941 5.200 ( -1.893 0.000 -0.744) 2.034 6.985 ( 2.356 0.000 1.802) 2.966 7.044 ( -0.651 0.000 0.466) 0.801 7.058 ( 0.688 0.000 -1.258) 1.434 7.225 ( -1.291 0.000 -1.421) 1.920 7.589 ( 0.627 0.000 -3.608) 3.662 7.674 ( 1.015 0.000 2.818) 2.995 8.676 ( -6.869 0.000 -7.189) 9.943 9.008 ( -8.980 0.000 16.377) 18.677 17.770 ( 9.802 0.000 -17.123) 19.730 18.617 ( 8.115 0.000 3.700) 8.918 ======================= Grid point 328 (150/182) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( 8.011 0.000 -14.436) 16.510 1.453 ( -0.318 0.000 -23.639) 23.641 1.591 ( 10.048 0.000 3.759) 10.728 1.931 ( 4.980 0.000 12.368) 13.333 2.217 ( 24.090 0.000 -10.964) 26.468 2.600 ( -10.571 0.000 7.933) 13.217 2.742 ( -4.757 0.000 -1.782) 5.080 2.803 ( 0.054 0.000 1.662) 1.663 2.932 ( -3.932 0.000 -2.847) 4.854 3.000 ( -1.200 0.000 -0.027) 1.200 3.334 ( 0.615 0.000 4.903) 4.942 3.335 ( 14.216 0.000 8.332) 16.478 3.645 ( 2.760 0.000 -3.449) 4.417 3.766 ( -7.960 0.000 -3.355) 8.638 3.904 ( -3.345 0.000 4.611) 5.696 4.063 ( 7.912 0.000 0.182) 7.914 4.251 ( -3.156 0.000 3.132) 4.446 4.278 ( -4.249 0.000 5.367) 6.845 4.804 ( 2.239 0.000 -3.409) 4.079 5.139 ( -4.107 0.000 -1.384) 4.334 7.033 ( -0.634 0.000 0.058) 0.637 7.039 ( 1.310 0.000 1.059) 1.685 7.062 ( 0.590 0.000 -1.269) 1.399 7.198 ( 0.114 0.000 -0.734) 0.743 7.588 ( 1.509 0.000 -3.241) 3.575 7.708 ( 0.912 0.000 2.221) 2.401 8.540 ( -4.835 0.000 -1.981) 5.225 8.814 ( -18.144 0.000 6.720) 19.349 17.951 ( 18.725 0.000 -12.366) 22.440 18.781 ( 7.256 0.000 1.590) 7.428 ======================= Grid point 329 (151/182) ======================= q-point: ( 0.38 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.374 ( 4.889 0.000 -12.821) 13.721 1.374 ( 7.527 0.000 -7.650) 10.732 1.735 ( 2.198 0.000 0.215) 2.208 2.068 ( 2.893 0.000 7.770) 8.291 2.483 ( -2.174 0.000 6.757) 7.098 2.655 ( -3.301 0.000 -1.041) 3.461 2.669 ( 23.874 0.000 -3.639) 24.150 2.765 ( -2.541 0.000 -2.831) 3.804 2.839 ( -3.724 0.000 -2.754) 4.632 2.999 ( 0.814 0.000 0.321) 0.875 3.371 ( 0.546 0.000 3.026) 3.075 3.511 ( -15.011 0.000 -5.107) 15.856 3.626 ( 12.768 0.000 2.258) 12.966 3.670 ( 1.751 0.000 -2.222) 2.829 3.893 ( -3.111 0.000 5.030) 5.914 4.152 ( -3.530 0.000 -1.699) 3.917 4.213 ( 4.883 0.000 4.796) 6.844 4.294 ( -1.829 0.000 7.935) 8.143 4.809 ( 1.166 0.000 -3.365) 3.561 5.043 ( -5.084 0.000 -1.232) 5.231 7.023 ( -0.439 0.000 -0.128) 0.457 7.028 ( -1.394 0.000 -1.167) 1.818 7.064 ( 0.352 0.000 -0.784) 0.859 7.234 ( 2.431 0.000 1.420) 2.815 7.601 ( 1.368 0.000 -1.831) 2.285 7.730 ( 0.401 0.000 1.170) 1.237 8.460 ( -6.451 0.000 4.865) 8.080 8.542 ( -8.377 0.000 -5.562) 10.055 18.215 ( 13.221 0.000 -3.712) 13.732 18.887 ( 3.759 0.000 0.021) 3.759 ======================= Grid point 330 (152/182) ======================= q-point: ( 0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.408 ( -0.000 0.000 0.000) 0.000 1.427 ( -0.000 0.000 0.000) 0.000 1.724 ( -0.000 0.000 0.000) 0.000 2.119 ( -0.000 0.000 0.000) 0.000 2.498 ( -0.000 0.000 0.000) 0.000 2.621 ( -0.000 0.000 0.000) 0.000 2.713 ( -0.000 0.000 0.000) 0.001 2.791 ( -0.000 0.000 0.000) 0.000 2.955 ( 0.000 0.000 0.000) 0.000 3.076 ( 0.000 0.000 -0.000) 0.000 3.230 ( -0.002 0.000 -0.000) 0.002 3.386 ( -0.000 0.000 -0.000) 0.000 3.680 ( -0.000 0.000 0.000) 0.000 3.799 ( -0.001 0.000 0.000) 0.001 3.834 ( 0.000 0.000 -0.000) 0.000 4.118 ( 0.000 0.000 0.000) 0.000 4.274 ( -0.000 0.000 0.000) 0.000 4.301 ( -0.000 0.000 -0.000) 0.000 4.816 ( -0.000 0.000 0.000) 0.000 4.978 ( -0.000 0.000 0.000) 0.000 7.008 ( -0.000 0.000 -0.000) 0.000 7.018 ( -0.000 0.000 0.000) 0.000 7.065 ( -0.000 0.000 0.000) 0.000 7.265 ( -0.000 0.000 0.000) 0.000 7.609 ( -0.000 0.000 0.000) 0.000 7.737 ( -0.000 0.000 0.000) 0.000 8.381 ( -0.000 0.000 0.002) 0.002 8.478 ( -0.001 0.000 -0.001) 0.001 18.331 ( -0.001 0.000 0.000) 0.001 18.921 ( -0.001 0.000 0.000) 0.001 ======================= Grid point 335 (153/182) ======================= q-point: ( 0.00 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.235 ( 0.000 3.761 0.000) 3.761 1.501 ( -0.000 13.521 0.000) 13.521 1.656 ( -0.000 5.679 -0.000) 5.679 1.755 ( 0.000 7.316 0.000) 7.316 2.393 ( 0.001 10.342 0.002) 10.342 2.406 ( -0.001 1.970 -0.001) 1.970 2.763 ( -0.000 -5.349 0.000) 5.349 2.892 ( 0.000 0.069 0.000) 0.069 2.940 ( -0.000 1.573 -0.000) 1.573 2.966 ( 0.000 -1.941 0.000) 1.941 3.175 ( 0.000 8.669 0.000) 8.669 3.386 ( 0.000 5.204 0.000) 5.204 3.628 ( 0.000 1.684 0.000) 1.684 3.791 ( 0.000 3.223 0.000) 3.223 3.904 ( 0.000 -5.351 -0.000) 5.351 4.018 ( -0.000 5.292 0.000) 5.292 4.227 ( -0.000 -4.337 0.000) 4.337 4.350 ( -0.000 -2.158 0.000) 2.158 4.691 ( 0.000 -4.754 0.000) 4.754 5.156 ( 0.000 -5.106 0.000) 5.106 6.862 ( 0.000 -5.682 0.000) 5.682 7.008 ( -0.000 -8.741 0.000) 8.741 7.126 ( 0.000 6.087 0.000) 6.087 7.160 ( -0.000 0.576 0.000) 0.576 7.656 ( -0.000 -3.734 0.000) 3.734 7.882 ( -0.000 17.815 0.000) 17.815 8.679 ( -0.000 -8.472 0.000) 8.472 8.830 ( -0.000 -5.101 0.001) 5.101 17.652 ( 0.000 -7.119 0.000) 7.119 18.420 ( -0.000 -7.378 0.000) 7.378 ======================= Grid point 337 (154/182) ======================= q-point: ( 0.12 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.354 ( 13.010 3.560 -3.880) 14.035 1.488 ( 3.653 14.808 -13.298) 20.235 1.642 ( 0.153 2.865 -7.971) 8.472 1.866 ( 6.511 8.013 11.159) 15.203 2.163 ( -0.420 13.200 -15.912) 20.679 2.622 ( 1.552 -5.064 4.006) 6.641 2.704 ( -3.492 -2.423 9.614) 10.512 2.885 ( -2.156 2.376 -3.539) 4.777 2.983 ( 0.611 -0.047 1.945) 2.039 3.041 ( 9.246 0.946 6.014) 11.070 3.122 ( -4.175 8.156 -0.456) 9.174 3.422 ( 0.776 6.087 6.171) 8.702 3.628 ( 0.821 1.141 -2.095) 2.523 3.810 ( 0.771 2.227 0.859) 2.508 3.889 ( -1.064 -4.967 -0.668) 5.123 4.005 ( 0.258 2.763 -3.605) 4.549 4.217 ( -2.214 -2.420 6.611) 7.380 4.318 ( -3.232 -2.888 -0.891) 4.425 4.718 ( 3.130 -4.097 -2.522) 5.740 5.135 ( -2.157 -5.237 -0.560) 5.691 6.875 ( 0.925 -6.726 1.278) 6.908 7.006 ( -0.536 -8.729 0.454) 8.757 7.097 ( -2.083 2.714 -0.310) 3.435 7.165 ( 0.984 3.334 -2.704) 4.404 7.677 ( 2.177 0.064 0.535) 2.243 7.907 ( 1.626 16.667 2.397) 16.917 8.595 ( -4.766 -4.230 -6.815) 9.330 8.817 ( -6.146 -8.279 7.917) 13.000 17.680 ( 7.877 -6.790 -11.804) 15.732 18.494 ( 5.842 -9.666 3.486) 11.820 ======================= Grid point 338 (155/182) ======================= q-point: ( 0.25 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.452 ( 1.751 5.629 -18.749) 19.654 1.557 ( 9.706 14.253 -14.533) 22.551 1.629 ( 7.380 5.772 3.989) 10.183 2.091 ( 8.955 10.662 11.026) 17.761 2.230 ( 13.306 5.662 -6.989) 16.061 2.546 ( -7.290 -2.908 6.471) 10.172 2.748 ( 0.242 -3.514 0.770) 3.605 2.830 ( -0.352 3.443 -3.792) 5.134 2.977 ( -2.049 2.459 -0.921) 3.330 3.039 ( -2.922 6.778 0.302) 7.387 3.266 ( 7.696 -0.457 7.247) 10.581 3.481 ( 2.328 5.769 6.444) 8.957 3.629 ( 0.430 -0.648 -3.167) 3.262 3.723 ( -6.612 -2.995 -8.211) 10.959 3.907 ( -0.866 1.096 6.544) 6.691 4.039 ( 5.101 -1.745 1.089) 5.500 4.221 ( -3.973 -2.201 -0.176) 4.546 4.251 ( -1.687 -0.868 7.454) 7.691 4.749 ( 1.969 -4.018 -3.685) 5.796 5.072 ( -4.093 -5.084 -1.143) 6.626 6.899 ( 0.670 -8.767 0.231) 8.796 6.982 ( -2.615 -8.874 0.909) 9.296 7.080 ( 0.785 1.670 0.100) 1.848 7.162 ( 0.751 3.996 -3.038) 5.076 7.746 ( 4.603 7.206 1.868) 8.752 7.958 ( 2.005 16.177 2.803) 16.540 8.468 ( -5.081 -3.411 -4.191) 7.417 8.675 ( -12.219 -6.297 2.388) 13.952 17.812 ( 13.542 -10.561 -10.879) 20.329 18.629 ( 6.048 -12.440 2.408) 14.040 ======================= Grid point 339 (156/182) ======================= q-point: ( 0.38 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.402 ( 4.299 4.354 -11.351) 12.895 1.638 ( 5.886 19.826 -5.789) 21.476 1.768 ( 4.184 4.569 -0.905) 6.261 2.270 ( 4.248 15.688 7.455) 17.881 2.424 ( 5.043 -3.648 2.189) 6.598 2.508 ( 0.250 -3.371 4.149) 5.352 2.719 ( -1.998 -3.520 -2.630) 4.827 2.877 ( 6.656 5.009 -2.388) 8.666 2.917 ( 1.158 6.790 -3.245) 7.614 3.023 ( -0.079 5.190 1.233) 5.336 3.381 ( 2.137 0.024 3.692) 4.266 3.469 ( -12.119 -2.453 -6.734) 14.080 3.581 ( 3.890 -0.881 -1.597) 4.296 3.679 ( 3.772 -1.013 1.770) 4.288 3.888 ( -4.492 -1.121 3.390) 5.738 4.118 ( 0.509 -2.177 -1.885) 2.924 4.179 ( -0.046 -2.443 7.024) 7.437 4.289 ( 0.663 1.291 4.941) 5.150 4.756 ( 1.905 -4.071 -3.120) 5.471 4.977 ( -5.268 -4.475 -1.351) 7.043 6.891 ( -0.939 -8.283 -1.492) 8.468 6.947 ( -1.231 -10.244 0.838) 10.352 7.105 ( 0.785 4.899 0.805) 5.026 7.167 ( 1.421 0.470 -1.412) 2.057 7.863 ( 6.397 15.028 2.742) 16.561 8.004 ( 1.333 18.218 1.639) 18.340 8.356 ( -7.621 -6.292 2.253) 10.136 8.460 ( -7.518 -4.386 -6.130) 10.646 17.993 ( 10.032 -16.728 -4.934) 20.120 18.726 ( 3.370 -13.563 0.754) 13.996 ======================= Grid point 340 (157/182) ======================= q-point: ( 0.50 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.428 ( -0.000 3.676 -0.000) 3.676 1.668 ( -0.000 15.338 0.000) 15.338 1.796 ( -0.000 10.866 0.000) 10.866 2.328 ( -0.000 16.069 0.000) 16.069 2.477 ( -0.000 -1.102 0.000) 1.102 2.524 ( -0.000 -5.662 -0.000) 5.662 2.683 ( -0.001 -3.375 0.000) 3.375 2.857 ( -0.000 5.646 0.000) 5.646 3.024 ( -0.000 2.277 -0.000) 2.277 3.169 ( 0.017 -4.492 0.001) 4.492 3.178 ( -0.018 11.208 -0.002) 11.208 3.413 ( -0.000 1.260 0.000) 1.260 3.599 ( -0.000 -4.306 0.000) 4.306 3.765 ( -0.000 -3.205 0.000) 3.205 3.825 ( 0.000 -2.397 0.000) 2.397 4.112 ( -0.000 0.121 0.000) 0.121 4.200 ( -0.000 -4.836 0.000) 4.836 4.317 ( -0.000 2.087 0.000) 2.087 4.783 ( 0.000 -2.706 0.000) 2.706 4.901 ( -0.000 -4.871 0.000) 4.871 6.873 ( -0.000 -7.757 0.000) 7.757 6.941 ( -0.000 -10.900 0.000) 10.900 7.112 ( -0.000 7.251 0.000) 7.251 7.180 ( -0.000 -1.967 0.000) 1.967 7.960 ( -0.000 23.883 0.000) 23.883 8.021 ( -0.000 20.046 0.000) 20.046 8.248 ( -0.000 -10.467 0.002) 10.467 8.384 ( -0.001 -7.617 -0.000) 7.617 18.075 ( -0.001 -19.391 0.000) 19.391 18.759 ( -0.001 -13.788 0.000) 13.788 ======================= Grid point 345 (158/182) ======================= q-point: ( 0.00 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.389 ( -0.000 10.981 0.000) 10.981 1.755 ( -0.000 12.575 0.000) 12.575 1.837 ( -0.000 8.978 -0.000) 8.978 1.918 ( 0.000 9.537 0.000) 9.537 2.485 ( -0.000 5.212 0.000) 5.212 2.507 ( 0.000 0.398 0.000) 0.398 2.849 ( -0.000 5.976 -0.000) 5.976 2.974 ( 0.000 5.116 0.000) 5.116 2.985 ( 0.000 10.762 0.001) 10.762 3.005 ( -0.000 7.493 -0.001) 7.493 3.351 ( -0.000 7.249 0.000) 7.249 3.432 ( -0.000 0.579 0.000) 0.579 3.660 ( -0.000 1.155 0.000) 1.155 3.828 ( -0.000 2.684 0.000) 2.684 3.950 ( 0.000 4.109 0.000) 4.109 4.140 ( 0.000 5.644 0.000) 5.644 4.152 ( -0.000 -0.861 -0.000) 0.861 4.301 ( -0.000 -2.201 0.000) 2.201 4.611 ( 0.000 -1.686 0.000) 1.686 5.040 ( 0.000 -5.701 0.000) 5.701 6.769 ( 0.000 -3.150 0.000) 3.150 6.832 ( -0.000 -5.863 0.000) 5.863 7.193 ( -0.000 -0.145 0.000) 0.145 7.244 ( -0.000 4.306 0.000) 4.306 7.528 ( -0.000 -4.950 0.000) 4.950 8.020 ( -0.000 -5.772 0.000) 5.772 8.711 ( -0.000 13.767 0.000) 13.767 8.956 ( -0.000 14.717 0.000) 14.717 17.558 ( 0.000 -1.105 0.000) 1.105 18.268 ( -0.000 -6.391 0.000) 6.391 ======================= Grid point 347 (159/182) ======================= q-point: ( 0.12 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.480 ( 10.327 8.516 -3.370) 13.803 1.737 ( 0.028 11.312 -15.365) 19.080 1.803 ( 3.776 12.010 -1.459) 12.674 2.063 ( 6.821 9.027 14.021) 18.017 2.430 ( -2.599 8.383 0.107) 8.777 2.551 ( 2.043 0.121 -0.826) 2.207 2.757 ( -4.006 6.322 -1.698) 7.674 2.924 ( -0.679 5.296 -7.475) 9.186 3.013 ( 0.508 1.665 2.816) 3.311 3.164 ( 7.426 11.066 8.207) 15.651 3.314 ( -3.415 8.787 1.283) 9.514 3.454 ( 0.488 -1.051 4.028) 4.191 3.658 ( 0.435 1.330 -1.756) 2.245 3.849 ( -1.780 -0.109 -0.840) 1.972 3.888 ( -1.544 2.964 -2.959) 4.464 4.080 ( -1.153 6.072 -0.989) 6.259 4.223 ( 1.440 2.800 6.845) 7.535 4.260 ( -3.586 -2.124 -1.976) 4.613 4.647 ( 3.332 -1.827 -1.269) 4.007 5.020 ( -2.053 -5.406 -0.115) 5.784 6.765 ( -0.848 -3.779 1.310) 4.088 6.840 ( 0.249 -5.466 0.798) 5.530 7.116 ( -4.173 -1.042 -1.637) 4.602 7.274 ( 1.631 4.943 -2.224) 5.660 7.608 ( 6.662 -3.895 3.257) 8.376 8.025 ( 0.127 -6.241 1.573) 6.437 8.687 ( -1.548 14.704 -3.558) 15.208 8.902 ( -6.125 13.989 1.210) 15.319 17.577 ( 3.961 -1.873 -5.270) 6.854 18.301 ( 2.706 -7.910 1.958) 8.587 ======================= Grid point 348 (160/182) ======================= q-point: ( 0.25 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.614 ( 2.788 10.085 -12.812) 16.542 1.723 ( 12.211 9.439 -5.822) 16.495 1.883 ( 5.248 11.195 -1.849) 12.501 2.299 ( 9.828 9.227 11.593) 17.780 2.413 ( -1.004 6.595 4.816) 8.228 2.560 ( -0.975 3.776 0.174) 3.903 2.712 ( -0.722 1.218 -1.485) 2.052 2.884 ( 1.344 5.217 -5.561) 7.743 3.031 ( -0.087 3.428 1.838) 3.891 3.229 ( -2.932 8.996 1.058) 9.521 3.326 ( 2.711 5.518 3.286) 6.971 3.490 ( 0.140 -2.661 4.611) 5.326 3.653 ( -0.198 -0.261 -2.695) 2.715 3.694 ( -5.001 2.009 -9.096) 10.573 3.928 ( -1.514 1.042 5.182) 5.498 4.094 ( 2.196 7.504 2.646) 8.254 4.177 ( -2.725 -0.422 -1.954) 3.380 4.286 ( 1.238 3.007 5.689) 6.553 4.681 ( 1.396 -2.005 -2.636) 3.594 4.971 ( -3.042 -4.157 -0.257) 5.158 6.755 ( -0.924 -4.880 0.853) 5.040 6.829 ( -2.389 -5.171 1.011) 5.785 7.077 ( 1.041 -0.932 -0.288) 1.427 7.275 ( 0.429 5.007 -2.829) 5.767 7.773 ( 8.291 -2.628 4.034) 9.588 8.047 ( 0.918 -7.605 2.681) 8.116 8.611 ( -3.521 16.822 -5.787) 18.134 8.761 ( -9.501 13.362 1.080) 16.431 17.637 ( 6.162 -4.754 -6.278) 9.999 18.373 ( 3.316 -10.778 2.030) 11.457 ======================= Grid point 349 (161/182) ======================= q-point: ( 0.38 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.588 ( 3.073 13.485 -8.722) 16.352 1.876 ( 1.369 8.949 1.692) 9.210 2.006 ( 13.111 9.173 -7.267) 17.574 2.444 ( 0.768 5.641 6.833) 8.893 2.491 ( -2.960 2.270 2.544) 4.515 2.539 ( 4.159 5.106 7.240) 9.787 2.678 ( -1.494 2.193 -3.970) 4.775 2.927 ( 4.504 2.530 0.760) 5.222 3.034 ( 0.189 6.415 -0.216) 6.421 3.183 ( -1.938 6.685 -1.163) 7.056 3.368 ( 0.709 0.369 1.392) 1.605 3.442 ( -4.952 -2.601 -4.263) 7.032 3.619 ( 2.655 1.212 -1.892) 3.478 3.683 ( 2.825 6.664 -1.571) 7.407 3.845 ( -7.892 -1.569 1.728) 8.229 4.147 ( -0.999 1.384 -0.086) 1.709 4.161 ( 0.768 4.965 4.573) 6.794 4.342 ( 2.189 3.063 3.016) 4.824 4.691 ( 2.298 -1.464 -1.672) 3.197 4.905 ( -4.081 -2.220 -0.722) 4.702 6.745 ( -0.223 -5.674 -0.263) 5.684 6.781 ( -2.773 -4.927 0.650) 5.691 7.128 ( 3.112 0.026 1.517) 3.462 7.259 ( -0.467 4.378 -2.417) 5.023 7.941 ( 7.393 -4.442 2.788) 9.065 8.088 ( 1.067 -9.510 3.487) 10.185 8.501 ( -4.237 18.731 -4.732) 19.779 8.597 ( -7.875 16.067 -0.704) 17.907 17.709 ( 4.633 -8.595 -3.786) 10.472 18.433 ( 2.061 -12.859 1.064) 13.067 ======================= Grid point 350 (162/182) ======================= q-point: ( 0.50 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( -0.000 12.933 -0.000) 12.933 1.873 ( -0.000 9.817 0.000) 9.817 2.146 ( 0.000 12.826 0.000) 12.826 2.416 ( -0.000 -2.802 0.000) 2.802 2.493 ( -0.000 3.955 0.000) 3.955 2.607 ( -0.000 -2.220 0.000) 2.220 2.652 ( -0.000 10.433 0.000) 10.433 2.986 ( 0.000 5.402 0.000) 5.402 3.050 ( -0.001 0.427 -0.000) 0.427 3.143 ( 0.000 4.597 0.000) 4.597 3.360 ( -0.000 3.660 -0.000) 3.660 3.391 ( 0.000 -2.856 0.000) 2.856 3.680 ( -0.002 13.371 0.001) 13.371 3.686 ( 0.001 -3.811 -0.001) 3.811 3.762 ( 0.000 -1.533 0.000) 1.533 4.123 ( -0.000 -1.076 0.000) 1.076 4.180 ( -0.000 5.244 0.000) 5.244 4.378 ( -0.000 3.120 0.000) 3.120 4.733 ( 0.000 -1.357 0.000) 1.357 4.841 ( -0.000 -0.788 0.000) 0.788 6.746 ( -0.001 -6.812 0.001) 6.812 6.752 ( 0.001 -3.911 -0.001) 3.911 7.172 ( 0.000 0.654 0.000) 0.654 7.239 ( -0.000 3.823 0.000) 3.823 8.038 ( -0.001 -8.749 0.001) 8.749 8.103 ( 0.000 -10.076 -0.000) 10.076 8.444 ( -0.000 20.046 0.000) 20.046 8.507 ( -0.000 19.901 -0.000) 19.901 17.743 ( -0.001 -10.370 0.000) 10.370 18.456 ( -0.001 -13.551 0.000) 13.551 ======================= Grid point 355 (163/182) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.655 ( -0.000 14.039 0.000) 14.039 1.964 ( -0.000 6.849 0.000) 6.849 2.106 ( 0.000 18.915 -0.000) 18.915 2.186 ( -0.000 16.557 0.000) 16.557 2.565 ( -0.000 5.941 0.000) 5.941 2.592 ( 0.000 4.974 -0.000) 4.974 2.840 ( -0.000 -2.259 0.000) 2.259 2.986 ( -0.000 -1.310 0.000) 1.310 3.291 ( -0.000 14.893 0.000) 14.893 3.336 ( -0.000 14.634 0.000) 14.634 3.452 ( -0.000 1.147 0.000) 1.147 3.474 ( -0.000 6.299 0.000) 6.299 3.648 ( 0.000 -2.502 0.000) 2.502 3.927 ( -0.000 2.768 0.000) 2.768 3.933 ( -0.000 0.923 0.000) 0.923 4.182 ( -0.000 -2.535 0.000) 2.535 4.229 ( 0.000 5.065 0.000) 5.065 4.312 ( -0.000 4.102 0.000) 4.102 4.649 ( -0.000 5.021 0.000) 5.021 4.932 ( 0.000 -4.601 0.000) 4.601 6.738 ( 0.000 0.211 0.000) 0.211 6.765 ( -0.000 -1.564 0.000) 1.564 7.167 ( -0.000 -0.643 0.000) 0.643 7.282 ( 0.000 -0.548 0.000) 0.548 7.490 ( -0.000 0.071 0.000) 0.071 7.837 ( -0.000 -8.874 0.000) 8.874 9.085 ( 0.000 19.702 -0.000) 19.702 9.319 ( -0.000 18.589 0.000) 18.589 17.614 ( 0.000 6.211 0.000) 6.211 18.179 ( -0.000 -2.130 0.000) 2.130 ======================= Grid point 357 (164/182) ======================= q-point: ( 0.12 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.693 ( 5.626 11.945 -3.537) 13.669 1.997 ( 2.843 12.183 -1.660) 12.620 2.119 ( 1.533 18.334 -2.785) 18.607 2.231 ( 3.564 9.857 7.703) 13.008 2.553 ( -2.340 6.635 4.596) 8.403 2.613 ( 2.484 4.155 -2.022) 5.246 2.793 ( -3.623 -0.629 -0.621) 3.729 3.011 ( 0.072 -0.793 2.983) 3.087 3.196 ( -2.296 13.234 -4.939) 14.311 3.391 ( -2.928 3.483 -0.040) 4.550 3.453 ( 2.944 8.120 1.942) 8.853 3.493 ( 0.519 7.302 2.816) 7.844 3.650 ( 0.189 -1.108 -0.830) 1.397 3.841 ( -5.365 -0.774 -5.413) 7.661 3.953 ( 1.391 3.930 0.393) 4.187 4.215 ( 1.599 -1.356 0.179) 2.104 4.222 ( 1.077 5.570 -1.788) 5.949 4.317 ( 0.082 4.924 2.207) 5.397 4.670 ( 1.019 4.082 1.701) 4.538 4.925 ( -0.543 -3.575 -0.197) 3.621 6.725 ( -1.540 -0.088 0.852) 1.762 6.772 ( 0.071 -1.921 0.778) 2.074 7.099 ( -3.346 0.470 -1.379) 3.650 7.335 ( 2.514 0.793 -1.193) 2.893 7.550 ( 5.972 -2.032 2.002) 6.618 7.840 ( 0.144 -8.813 0.770) 8.848 9.061 ( -2.574 19.204 -0.285) 19.378 9.255 ( -6.492 18.173 -0.722) 19.311 17.620 ( 1.253 5.680 -1.938) 6.131 18.190 ( 0.777 -2.911 0.920) 3.150 ======================= Grid point 358 (165/182) ======================= q-point: ( 0.25 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.818 ( 9.975 10.067 -4.138) 14.764 2.013 ( 2.269 16.641 -6.941) 18.172 2.125 ( 0.325 13.137 -0.179) 13.142 2.395 ( 6.649 2.118 9.679) 11.933 2.547 ( -1.684 6.743 5.790) 9.046 2.636 ( 0.183 3.946 -0.649) 4.003 2.735 ( -1.791 1.733 0.538) 2.549 3.000 ( -1.369 2.215 -0.246) 2.616 3.169 ( -0.663 6.973 0.762) 7.045 3.327 ( -3.435 0.459 -0.031) 3.466 3.443 ( -2.438 4.728 0.224) 5.325 3.534 ( -0.133 7.776 -2.684) 8.227 3.624 ( -1.306 1.857 0.511) 2.327 3.764 ( 1.313 2.739 -4.267) 5.237 3.950 ( -2.077 0.320 -0.133) 2.105 4.230 ( 0.730 3.964 -3.547) 5.369 4.259 ( 3.505 6.804 0.720) 7.688 4.349 ( 1.106 3.520 3.974) 5.423 4.688 ( 0.219 3.088 1.081) 3.279 4.914 ( -0.729 -1.040 0.259) 1.297 6.697 ( -1.969 -0.938 0.871) 2.348 6.762 ( -1.650 -1.490 0.772) 2.354 7.079 ( 1.665 1.316 0.079) 2.123 7.339 ( -0.250 1.223 -2.777) 3.045 7.699 ( 7.705 -4.081 2.449) 9.056 7.854 ( 0.683 -8.724 1.687) 8.912 8.990 ( -4.373 18.275 -1.731) 18.870 9.097 ( -9.521 17.225 -0.256) 19.683 17.635 ( 1.895 4.214 -2.551) 5.278 18.214 ( 1.023 -4.639 1.154) 4.889 ======================= Grid point 359 (166/182) ======================= q-point: ( 0.38 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.923 ( 3.236 17.585 -5.402) 18.678 2.087 ( 8.785 8.838 -0.741) 12.483 2.118 ( 0.525 6.345 -1.829) 6.625 2.502 ( -4.244 1.038 1.664) 4.675 2.535 ( 0.850 -0.402 2.880) 3.030 2.641 ( -0.928 8.973 6.689) 11.230 2.754 ( 3.566 3.121 -0.456) 4.761 2.992 ( 0.529 2.666 1.931) 3.334 3.133 ( -3.673 1.191 -0.324) 3.875 3.276 ( -2.188 0.975 0.030) 2.396 3.408 ( -0.834 2.721 -0.529) 2.895 3.469 ( -2.573 7.362 -3.067) 8.381 3.630 ( 0.861 1.266 -1.328) 2.026 3.798 ( 1.483 5.315 -0.416) 5.533 3.919 ( 1.071 4.837 0.569) 4.987 4.192 ( -3.021 3.326 -3.105) 5.461 4.310 ( 1.042 7.040 1.011) 7.188 4.403 ( 2.535 3.161 1.654) 4.376 4.715 ( 2.517 4.145 0.779) 4.912 4.890 ( -2.313 0.924 0.355) 2.515 6.670 ( -1.302 -1.745 0.464) 2.226 6.733 ( -1.542 0.126 0.260) 1.568 7.141 ( 3.890 1.058 1.696) 4.374 7.302 ( -1.863 0.154 -2.948) 3.491 7.827 ( 5.122 -5.782 0.111) 7.725 7.886 ( 0.799 -8.530 3.112) 9.115 8.888 ( -4.287 17.765 -3.689) 18.643 8.948 ( -6.487 16.581 1.700) 17.886 17.654 ( 1.418 2.523 -1.687) 3.350 18.236 ( 0.676 -6.177 0.728) 6.256 ======================= Grid point 360 (167/182) ======================= q-point: ( 0.50 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.931 ( -0.000 18.026 -0.000) 18.026 2.093 ( -0.000 9.151 0.000) 9.151 2.248 ( 0.000 2.323 0.000) 2.323 2.393 ( -0.001 0.341 0.000) 0.341 2.568 ( -0.000 -0.936 0.000) 0.936 2.647 ( -0.000 9.164 0.000) 9.164 2.801 ( -0.000 4.261 0.000) 4.261 3.048 ( 0.001 0.459 0.002) 0.459 3.051 ( -0.002 1.434 -0.002) 1.434 3.252 ( 0.000 0.396 0.000) 0.396 3.407 ( -0.000 1.182 0.000) 1.182 3.429 ( -0.000 8.210 -0.000) 8.210 3.635 ( -0.000 0.349 -0.000) 0.349 3.792 ( -0.000 5.126 0.000) 5.126 3.979 ( -0.000 10.843 0.000) 10.843 4.121 ( -0.000 1.065 0.000) 1.065 4.322 ( -0.000 7.130 0.000) 7.130 4.434 ( -0.000 2.556 0.000) 2.556 4.760 ( 0.000 4.661 0.000) 4.661 4.854 ( -0.000 1.658 0.000) 1.658 6.659 ( -0.000 -2.033 0.000) 2.033 6.719 ( -0.000 0.891 -0.000) 0.891 7.207 ( 0.000 2.686 0.000) 2.686 7.253 ( -0.001 -2.275 0.000) 2.275 7.886 ( -0.004 -6.358 0.005) 6.358 7.895 ( 0.003 -8.825 -0.004) 8.825 8.833 ( -0.000 17.450 0.000) 17.450 8.891 ( -0.000 16.740 -0.000) 16.740 17.662 ( -0.001 1.765 0.000) 1.765 18.245 ( -0.001 -6.765 0.000) 6.765 ======================= Grid point 365 (168/182) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.952 ( -0.000 14.653 0.000) 14.653 2.120 ( -0.000 8.700 0.000) 8.700 2.533 ( 0.001 21.304 -0.000) 21.304 2.552 ( -0.001 16.012 0.000) 16.012 2.685 ( 0.000 3.697 0.000) 3.697 2.710 ( -0.000 4.482 0.000) 4.482 2.840 ( 0.000 7.004 0.000) 7.004 2.944 ( -0.000 -2.162 -0.000) 2.162 3.420 ( -0.000 -3.439 0.000) 3.439 3.465 ( 0.000 0.410 0.000) 0.410 3.518 ( -0.000 -3.852 0.000) 3.852 3.542 ( 0.000 7.246 -0.000) 7.246 3.697 ( -0.000 5.958 0.000) 5.958 3.938 ( -0.000 3.893 0.000) 3.893 4.058 ( 0.000 4.791 0.000) 4.791 4.133 ( -0.000 -0.260 0.000) 0.260 4.283 ( 0.000 0.058 0.000) 0.058 4.381 ( -0.000 1.420 0.000) 1.420 4.781 ( -0.000 6.691 0.000) 6.691 4.867 ( 0.000 -1.277 0.000) 1.277 6.743 ( -0.000 -0.637 0.000) 0.637 6.766 ( 0.000 1.964 0.000) 1.964 7.188 ( -0.000 2.035 0.000) 2.035 7.240 ( 0.000 -2.881 0.000) 2.881 7.504 ( -0.000 1.253 0.000) 1.253 7.698 ( -0.000 -4.614 0.000) 4.614 9.471 ( 0.000 17.013 -0.000) 17.013 9.666 ( -0.000 14.164 0.000) 14.164 17.787 ( 0.000 9.743 0.000) 9.743 18.168 ( -0.000 0.478 0.000) 0.478 ======================= Grid point 367 (169/182) ======================= q-point: ( 0.12 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.964 ( 2.514 14.105 -1.023) 14.363 2.195 ( 5.363 8.008 3.990) 10.431 2.464 ( -4.844 13.055 2.650) 14.174 2.541 ( -2.884 16.204 -5.886) 17.480 2.683 ( 1.647 3.214 -4.178) 5.522 2.714 ( 0.101 7.996 3.166) 8.600 2.847 ( -0.314 8.862 2.632) 9.250 2.973 ( 0.321 -2.394 6.018) 6.485 3.284 ( -7.365 -3.149 -1.451) 8.140 3.422 ( -5.356 -1.265 0.270) 5.510 3.525 ( 0.453 2.067 -1.787) 2.769 3.638 ( 5.896 4.034 -2.430) 7.546 3.734 ( 3.456 4.824 2.386) 6.396 3.866 ( -4.863 4.234 -4.054) 7.616 4.015 ( -2.761 2.942 -2.019) 4.512 4.221 ( 5.969 1.413 2.547) 6.641 4.273 ( 0.578 -0.091 -2.429) 2.498 4.393 ( 0.852 1.668 0.594) 1.965 4.784 ( -0.975 5.688 3.239) 6.618 4.893 ( 3.248 1.053 -1.384) 3.684 6.735 ( -1.902 -0.238 1.121) 2.220 6.761 ( 0.399 1.715 -0.595) 1.859 7.134 ( -2.424 2.144 -0.638) 3.299 7.313 ( 3.897 -2.518 -0.027) 4.640 7.527 ( 3.040 0.097 -0.020) 3.041 7.702 ( 0.094 -4.566 1.316) 4.752 9.433 ( -4.316 16.308 0.957) 16.896 9.595 ( -7.048 13.976 -1.116) 15.692 17.784 ( -0.176 9.457 -0.271) 9.463 18.167 ( -0.307 0.084 0.580) 0.662 ======================= Grid point 368 (170/182) ======================= q-point: ( 0.25 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.044 ( 6.443 11.826 -0.184) 13.468 2.293 ( 2.325 8.849 -0.751) 9.180 2.377 ( -7.103 7.953 1.154) 10.726 2.475 ( 1.211 6.520 -0.441) 6.646 2.649 ( -2.538 4.306 -2.695) 5.679 2.769 ( 3.136 9.617 2.423) 10.402 2.855 ( -1.197 9.920 4.109) 10.804 3.000 ( -0.941 -1.708 4.084) 4.526 3.178 ( -3.926 -2.441 0.708) 4.677 3.335 ( -3.623 -1.691 -0.812) 4.080 3.496 ( -2.347 3.534 -1.284) 4.432 3.667 ( -1.658 0.696 -2.569) 3.136 3.737 ( -2.783 8.877 -1.784) 9.472 3.865 ( 5.882 0.483 0.047) 5.902 3.950 ( -1.861 5.375 -1.622) 5.915 4.273 ( 1.015 0.116 -4.444) 4.560 4.341 ( 5.087 1.680 1.731) 5.630 4.418 ( 1.217 1.748 1.732) 2.745 4.794 ( 0.999 6.084 1.442) 6.332 4.945 ( 2.164 3.980 0.118) 4.532 6.696 ( -2.529 0.584 0.824) 2.723 6.772 ( 0.661 2.209 0.063) 2.307 7.113 ( 0.364 1.365 -0.119) 1.417 7.339 ( -0.109 -1.036 -2.065) 2.312 7.619 ( 5.946 -3.126 0.893) 6.777 7.718 ( 0.463 -4.602 2.235) 5.137 9.335 ( -6.653 14.691 0.651) 16.140 9.421 ( -10.266 13.471 -1.167) 16.977 17.778 ( -0.237 8.724 -0.364) 8.735 18.164 ( -0.423 -0.843 0.797) 1.235 ======================= Grid point 369 (171/182) ======================= q-point: ( 0.38 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.150 ( 2.388 3.489 -0.928) 4.329 2.275 ( -0.486 11.634 -3.209) 12.078 2.300 ( 0.626 6.579 1.567) 6.792 2.523 ( -0.147 1.360 1.432) 1.980 2.572 ( -2.939 4.274 -1.713) 5.463 2.846 ( -1.704 10.630 5.573) 12.123 2.848 ( 3.439 7.610 -1.193) 8.436 3.016 ( 1.160 -0.631 3.230) 3.489 3.132 ( -2.518 0.956 1.292) 2.987 3.277 ( -2.513 -1.072 -0.811) 2.850 3.442 ( -2.002 2.599 -1.005) 3.431 3.573 ( -4.494 1.747 -2.656) 5.505 3.724 ( 0.391 5.736 0.066) 5.750 3.881 ( -0.585 -2.228 -3.011) 3.791 4.021 ( 5.545 8.756 4.944) 11.483 4.239 ( -1.542 1.264 -5.738) 6.075 4.415 ( 2.185 2.958 1.219) 3.875 4.455 ( 1.560 0.845 0.815) 1.952 4.844 ( 3.852 6.848 -0.334) 7.864 4.958 ( -1.278 5.818 0.935) 6.030 6.662 ( -1.488 0.902 0.453) 1.798 6.782 ( 0.316 4.120 0.257) 4.140 7.140 ( 2.097 -1.673 0.596) 2.748 7.303 ( -1.835 0.591 -2.307) 3.006 7.716 ( 3.928 -4.668 -0.707) 6.142 7.747 ( 0.817 -5.192 3.219) 6.163 9.214 ( -5.486 13.508 -2.085) 14.728 9.253 ( -7.192 12.593 1.448) 14.574 17.772 ( -0.158 7.932 -0.244) 7.937 18.162 ( -0.292 -1.737 0.548) 1.844 ======================= Grid point 370 (172/182) ======================= q-point: ( 0.50 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.139 ( -0.000 -1.004 0.000) 1.004 2.259 ( -0.000 9.807 0.000) 9.807 2.412 ( 0.003 9.509 0.001) 9.509 2.422 ( -0.003 4.150 -0.000) 4.150 2.569 ( -0.000 0.703 0.000) 0.703 2.833 ( -0.000 8.804 0.000) 8.804 2.894 ( -0.000 7.343 -0.000) 7.343 3.060 ( 0.000 -0.396 0.000) 0.396 3.099 ( -0.001 4.021 0.000) 4.021 3.243 ( -0.000 -0.478 0.000) 0.478 3.425 ( -0.000 1.124 0.000) 1.124 3.516 ( -0.000 2.228 0.000) 2.228 3.730 ( -0.000 4.596 -0.000) 4.596 3.865 ( -0.000 -0.715 0.000) 0.715 4.129 ( 0.000 6.313 0.001) 6.313 4.165 ( -0.000 2.986 -0.000) 2.986 4.439 ( -0.000 3.773 0.001) 3.773 4.472 ( -0.000 0.440 -0.000) 0.440 4.910 ( 0.001 4.023 -0.000) 4.023 4.918 ( -0.001 9.270 0.000) 9.270 6.650 ( -0.000 0.987 0.000) 0.987 6.786 ( -0.000 5.114 -0.000) 5.114 7.171 ( -0.000 -4.828 0.000) 4.828 7.270 ( -0.000 2.818 0.000) 2.818 7.751 ( -0.002 -5.239 0.002) 5.239 7.766 ( 0.001 -5.314 -0.001) 5.314 9.151 ( -0.000 13.129 0.000) 13.129 9.191 ( -0.000 12.120 0.000) 12.120 17.770 ( -0.001 7.587 0.000) 7.587 18.161 ( -0.001 -2.098 0.000) 2.098 ======================= Grid point 375 (173/182) ======================= q-point: ( 0.00 0.42 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.251 ( -0.000 14.067 0.000) 14.067 2.314 ( -0.000 9.677 0.000) 9.677 2.624 ( -0.000 -4.335 0.000) 4.335 2.682 ( 0.000 -4.408 -0.000) 4.408 2.892 ( -0.000 11.576 0.000) 11.576 2.937 ( -0.000 5.430 -0.000) 5.430 2.966 ( 0.000 16.234 -0.000) 16.234 3.078 ( -0.000 7.084 0.000) 7.084 3.295 ( -0.000 -7.669 0.000) 7.669 3.428 ( 0.000 4.234 0.000) 4.234 3.485 ( 0.000 -3.296 0.000) 3.296 3.642 ( -0.000 2.949 0.000) 2.949 3.714 ( -0.000 -2.276 0.000) 2.276 3.967 ( -0.000 -6.616 0.000) 6.616 4.117 ( 0.000 4.217 0.000) 4.217 4.187 ( -0.000 3.826 0.000) 3.826 4.285 ( 0.000 1.149 0.000) 1.149 4.365 ( -0.000 -2.620 0.000) 2.620 4.881 ( -0.000 2.102 0.000) 2.102 4.891 ( 0.000 3.512 -0.000) 3.512 6.743 ( 0.000 0.725 0.000) 0.725 6.792 ( -0.000 0.061 0.000) 0.061 7.196 ( -0.000 -0.829 0.000) 0.829 7.217 ( 0.000 0.290 0.000) 0.290 7.544 ( -0.000 2.475 0.001) 2.475 7.634 ( -0.000 -2.076 0.000) 2.076 9.764 ( -0.000 11.024 0.000) 11.024 9.878 ( -0.000 6.075 0.000) 6.075 17.983 ( 0.000 8.593 0.000) 8.593 18.172 ( -0.000 -0.669 0.000) 0.669 ======================= Grid point 377 (174/182) ======================= q-point: ( 0.12 0.42 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.259 ( 0.890 14.141 1.353) 14.234 2.358 ( 3.365 7.732 1.129) 8.508 2.583 ( -4.529 -1.863 -0.574) 4.931 2.642 ( -2.586 -0.236 -4.040) 4.803 2.844 ( -4.304 7.767 -0.895) 8.925 2.906 ( -4.594 -1.037 5.303) 7.092 2.975 ( -0.043 11.687 1.931) 11.846 3.088 ( 0.064 7.358 -1.267) 7.466 3.201 ( -2.693 -1.439 -1.488) 3.397 3.396 ( -4.216 3.524 2.525) 6.048 3.573 ( 4.640 0.707 -2.530) 5.332 3.687 ( 4.996 1.352 -1.225) 5.319 3.703 ( -1.133 -4.720 0.464) 4.876 3.928 ( -3.560 -2.164 -1.704) 4.501 4.112 ( -0.849 4.774 0.555) 4.881 4.198 ( 2.067 -0.758 -1.171) 2.494 4.304 ( 2.125 2.191 1.199) 3.279 4.382 ( 1.161 -2.228 0.857) 2.654 4.881 ( 0.840 4.127 0.475) 4.238 4.944 ( 4.865 2.225 -1.388) 5.527 6.742 ( -0.613 1.206 0.957) 1.657 6.795 ( 0.929 0.656 -1.286) 1.717 7.167 ( -1.918 1.242 0.276) 2.301 7.254 ( 2.550 -2.818 -0.113) 3.802 7.554 ( 1.329 2.166 -0.398) 2.572 7.639 ( 0.067 -2.078 1.392) 2.501 9.712 ( -5.820 10.356 0.979) 11.920 9.807 ( -7.248 6.242 -0.619) 9.585 17.976 ( -0.885 8.453 0.492) 8.513 18.166 ( -0.899 -0.837 0.600) 1.366 ======================= Grid point 378 (175/182) ======================= q-point: ( 0.25 0.42 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.288 ( -0.231 10.901 1.196) 10.969 2.409 ( 0.251 3.651 -0.149) 3.662 2.459 ( -6.845 2.030 0.668) 7.171 2.568 ( -1.668 2.133 -4.181) 4.981 2.742 ( -3.751 3.087 -4.255) 6.458 2.892 ( -0.344 -6.238 6.436) 8.969 2.990 ( 0.762 7.067 1.407) 7.246 3.073 ( -1.405 5.800 2.816) 6.599 3.193 ( 0.272 6.468 0.639) 6.505 3.343 ( -2.701 5.913 1.006) 6.578 3.573 ( -2.913 2.735 -0.162) 3.999 3.668 ( -1.535 -2.192 -1.902) 3.283 3.761 ( 2.749 -4.894 -4.774) 7.369 3.839 ( -4.016 0.261 -1.775) 4.399 4.120 ( 1.073 6.760 4.129) 7.994 4.242 ( 3.437 -1.860 -3.767) 5.428 4.368 ( 3.377 1.088 2.484) 4.331 4.410 ( 1.035 -1.810 1.838) 2.780 4.918 ( 3.324 5.852 -1.212) 6.839 5.026 ( 4.261 2.322 -0.996) 4.954 6.729 ( -1.302 2.633 0.672) 3.013 6.816 ( 2.160 0.985 -1.185) 2.653 7.137 ( -1.471 1.667 0.122) 2.226 7.290 ( 1.330 -3.752 -0.325) 3.994 7.591 ( 2.832 0.375 -0.066) 2.857 7.652 ( 0.242 -2.182 1.875) 2.887 9.580 ( -8.766 8.783 1.143) 12.462 9.631 ( -10.620 6.588 -0.774) 12.521 17.959 ( -1.267 8.111 0.691) 8.238 18.149 ( -1.259 -1.249 0.847) 1.965 ======================= Grid point 379 (176/182) ======================= q-point: ( 0.38 0.42 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.207 ( -6.561 2.665 -0.379) 7.092 2.324 ( -4.193 -1.712 -2.010) 4.955 2.476 ( 3.420 6.736 2.507) 7.959 2.549 ( 0.606 0.849 -1.428) 1.768 2.671 ( -1.769 4.963 -3.994) 6.612 2.951 ( 2.665 -5.632 2.035) 6.555 3.017 ( 0.769 6.365 2.873) 7.025 3.074 ( -0.304 8.308 3.217) 8.914 3.207 ( -0.031 5.977 3.454) 6.903 3.299 ( -2.134 6.955 -1.712) 7.474 3.497 ( -4.310 1.277 -0.066) 4.495 3.623 ( -2.135 2.681 -1.677) 3.816 3.735 ( -1.382 -5.261 -1.187) 5.568 3.792 ( -0.142 -4.076 -4.206) 5.859 4.184 ( 1.551 5.474 6.054) 8.308 4.262 ( 1.841 1.207 -5.286) 5.726 4.438 ( 1.375 -1.294 1.702) 2.542 4.443 ( 2.196 -0.110 1.902) 2.907 4.978 ( 3.803 6.234 -1.487) 7.452 5.072 ( 1.258 3.574 -0.620) 3.839 6.708 ( -1.023 3.506 0.130) 3.654 6.851 ( 1.883 0.670 -0.554) 2.074 7.118 ( -0.662 1.499 0.131) 1.644 7.298 ( 0.011 -2.139 -0.567) 2.213 7.645 ( 2.687 -1.978 -0.173) 3.341 7.669 ( 0.289 -2.537 1.775) 3.110 9.433 ( -6.797 7.520 -0.477) 10.147 9.453 ( -7.719 6.571 0.609) 10.156 17.942 ( -0.906 7.763 0.486) 7.831 18.134 ( -0.883 -1.673 0.598) 1.984 ======================= Grid point 380 (177/182) ======================= q-point: ( 0.50 0.42 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.137 ( -0.000 1.282 0.000) 1.282 2.276 ( -0.001 -3.609 0.000) 3.609 2.536 ( -0.000 2.586 -0.000) 2.586 2.549 ( -0.000 1.347 0.000) 1.347 2.631 ( -0.000 8.915 0.001) 8.915 2.976 ( -0.000 -1.804 -0.000) 1.804 3.046 ( -0.000 4.420 0.000) 4.420 3.089 ( -0.000 6.355 0.000) 6.355 3.226 ( -0.000 11.238 0.000) 11.238 3.258 ( -0.000 3.038 0.000) 3.038 3.452 ( -0.000 0.644 0.000) 0.644 3.592 ( -0.000 4.517 -0.000) 4.517 3.723 ( -0.000 -5.308 -0.000) 5.308 3.773 ( -0.000 -6.208 0.000) 6.208 4.224 ( -0.000 2.538 0.000) 2.538 4.256 ( -0.000 4.550 -0.000) 4.550 4.454 ( -0.000 -1.408 0.000) 1.408 4.475 ( -0.000 0.065 0.000) 0.065 5.017 ( -0.000 5.644 0.000) 5.644 5.075 ( -0.000 4.864 0.000) 4.864 6.698 ( -0.000 3.684 0.000) 3.684 6.868 ( -0.000 0.273 0.000) 0.273 7.113 ( -0.000 1.423 0.000) 1.423 7.294 ( -0.000 -1.135 0.000) 1.135 7.674 ( -0.010 -2.430 0.011) 2.430 7.676 ( 0.009 -3.116 -0.010) 3.116 9.363 ( -0.000 7.239 -0.000) 7.239 9.382 ( -0.000 6.284 0.000) 6.284 17.935 ( -0.001 7.617 0.000) 7.617 18.127 ( -0.001 -1.851 0.000) 1.851 ======================= Grid point 385 (178/182) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.494 ( 0.000 -4.696 -0.000) 4.696 2.494 ( -0.000 4.695 0.002) 4.695 2.519 ( -0.000 -8.012 0.000) 8.012 2.519 ( 0.000 8.013 -0.001) 8.013 3.037 ( -0.000 -5.437 0.000) 5.437 3.037 ( -0.000 5.437 0.000) 5.437 3.107 ( 0.000 -8.783 -0.000) 8.783 3.107 ( 0.000 8.783 0.000) 8.783 3.310 ( -0.000 -12.716 0.000) 12.716 3.310 ( 0.000 12.717 0.000) 12.717 3.672 ( 0.000 -2.175 -0.000) 2.175 3.672 ( 0.000 2.174 -0.000) 2.174 3.710 ( -0.000 -12.944 0.000) 12.944 3.710 ( -0.000 12.946 0.000) 12.946 4.212 ( 0.000 -2.768 0.000) 2.768 4.212 ( -0.000 2.768 0.000) 2.768 4.310 ( -0.000 -1.496 0.000) 1.496 4.310 ( -0.000 1.496 0.000) 1.496 4.918 ( 0.000 -0.721 0.000) 0.721 4.918 ( -0.000 0.721 0.000) 0.721 6.771 ( -0.000 -1.670 0.000) 1.670 6.771 ( 0.000 1.670 0.000) 1.670 7.204 ( 0.000 -1.099 0.000) 1.099 7.204 ( -0.000 1.099 0.000) 1.099 7.594 ( -0.000 -2.117 0.000) 2.117 7.594 ( 0.000 2.118 0.001) 2.118 9.910 ( -0.000 -2.917 0.000) 2.917 9.910 ( -0.000 2.917 0.000) 2.917 18.121 ( 0.000 -4.587 0.000) 4.587 18.121 ( 0.000 4.588 0.000) 4.588 ======================= Grid point 389 (179/182) ======================= q-point: ( 0.12 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.496 ( -0.642 -4.650 -2.134) 5.157 2.496 ( -0.642 4.652 -2.134) 5.159 2.526 ( 0.996 -9.195 2.434) 9.563 2.526 ( 0.997 9.193 2.434) 9.562 2.920 ( -11.102 -2.045 -0.294) 11.292 2.920 ( -11.101 2.045 -0.294) 11.292 3.071 ( -0.590 -4.242 0.054) 4.283 3.071 ( -0.589 4.242 0.054) 4.283 3.378 ( 4.007 -11.055 -0.770) 11.784 3.378 ( 4.007 11.055 -0.770) 11.784 3.627 ( -3.156 -4.539 2.007) 5.882 3.627 ( -3.156 4.539 2.007) 5.882 3.768 ( 3.514 -8.439 -2.089) 9.377 3.768 ( 3.514 8.439 -2.089) 9.377 4.192 ( -0.978 -2.340 0.346) 2.560 4.192 ( -0.978 2.340 0.346) 2.560 4.337 ( 1.896 -1.508 1.041) 2.637 4.337 ( 1.896 1.508 1.041) 2.637 4.948 ( 3.488 -1.878 -1.222) 4.145 4.948 ( 3.487 1.878 -1.222) 4.145 6.778 ( 0.806 -1.886 -0.143) 2.057 6.778 ( 0.806 1.887 -0.143) 2.057 7.201 ( -0.206 -2.211 -0.010) 2.220 7.201 ( -0.206 2.211 -0.010) 2.220 7.600 ( 0.448 -2.006 0.535) 2.124 7.600 ( 0.448 2.007 0.535) 2.125 9.846 ( -6.838 -2.437 0.271) 7.264 9.846 ( -6.838 2.437 0.271) 7.264 18.113 ( -1.100 -4.586 0.676) 4.764 18.113 ( -1.100 4.587 0.677) 4.765 ======================= Grid point 391 (180/182) ======================= q-point: ( 0.25 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.424 ( -6.742 -2.225 -1.697) 7.299 2.424 ( -6.741 2.226 -1.697) 7.299 2.551 ( -0.010 -4.913 0.551) 4.944 2.551 ( -0.011 4.913 0.551) 4.944 2.777 ( -1.683 -2.678 -1.198) 3.382 2.777 ( -1.683 2.678 -1.198) 3.382 3.074 ( -0.341 -2.940 3.514) 4.595 3.074 ( -0.341 2.941 3.514) 4.595 3.409 ( -0.358 -8.253 0.690) 8.290 3.409 ( -0.358 8.253 0.690) 8.290 3.586 ( -2.230 -2.223 0.334) 3.167 3.586 ( -2.230 2.224 0.334) 3.167 3.771 ( -0.902 -4.039 -4.638) 6.216 3.771 ( -0.902 4.039 -4.638) 6.216 4.210 ( 1.833 -2.500 2.256) 3.834 4.210 ( 1.833 2.500 2.256) 3.834 4.381 ( 2.234 -0.556 1.408) 2.698 4.381 ( 2.233 0.556 1.408) 2.698 5.016 ( 4.599 -3.089 -1.918) 5.863 5.016 ( 4.599 3.089 -1.918) 5.863 6.792 ( 0.784 -2.888 -0.596) 3.051 6.792 ( 0.783 2.888 -0.596) 3.051 7.201 ( 0.133 -4.315 0.327) 4.330 7.201 ( 0.133 4.315 0.327) 4.330 7.615 ( 0.820 -1.551 0.678) 1.881 7.615 ( 0.820 1.552 0.678) 1.882 9.686 ( -10.145 -1.324 0.342) 10.236 9.686 ( -10.145 1.324 0.342) 10.236 18.092 ( -1.563 -4.596 0.955) 4.947 18.092 ( -1.563 4.596 0.956) 4.948 ======================= Grid point 393 (181/182) ======================= q-point: ( 0.38 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.268 ( -7.301 -3.145 -1.290) 8.054 2.268 ( -7.302 3.146 -1.290) 8.055 2.551 ( 0.402 -1.093 -0.597) 1.309 2.551 ( 0.402 1.093 -0.597) 1.309 2.803 ( 2.944 -7.738 -1.020) 8.341 2.803 ( 2.945 7.738 -1.020) 8.342 3.102 ( 0.516 -2.231 4.627) 5.162 3.102 ( 0.516 2.232 4.627) 5.163 3.390 ( -1.798 -7.264 1.219) 7.582 3.390 ( -1.798 7.264 1.219) 7.582 3.548 ( -2.104 -8.732 0.264) 8.986 3.548 ( -2.104 8.733 0.264) 8.987 3.708 ( -1.693 -2.896 -5.068) 6.077 3.708 ( -1.693 2.896 -5.068) 6.078 4.257 ( 1.474 -2.250 1.507) 3.083 4.257 ( 1.474 2.250 1.507) 3.083 4.431 ( 1.959 -0.854 1.481) 2.600 4.431 ( 1.959 0.854 1.481) 2.600 5.079 ( 3.083 -2.808 -1.472) 4.422 5.079 ( 3.083 2.808 -1.472) 4.422 6.797 ( 0.169 -4.516 -0.696) 4.573 6.797 ( 0.169 4.517 -0.696) 4.573 7.209 ( 0.418 -5.717 0.371) 5.744 7.209 ( 0.417 5.716 0.371) 5.744 7.635 ( 0.883 -0.755 0.514) 1.271 7.635 ( 0.883 0.756 0.514) 1.272 9.517 ( -7.608 -0.509 0.202) 7.628 9.517 ( -7.608 0.509 0.202) 7.628 18.072 ( -1.111 -4.620 0.675) 4.800 18.072 ( -1.111 4.621 0.675) 4.801 ======================= Grid point 395 (182/182) ======================= q-point: ( 0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.192 ( -0.000 -3.800 0.000) 3.800 2.192 ( -0.001 3.801 0.001) 3.801 2.554 ( -0.000 -0.041 0.000) 0.041 2.554 ( -0.000 0.041 0.000) 0.041 2.830 ( -0.000 -9.213 0.001) 9.213 2.830 ( -0.000 9.213 -0.000) 9.213 3.126 ( -0.000 -1.095 0.000) 1.095 3.126 ( -0.000 1.095 0.000) 1.095 3.376 ( -0.000 -5.875 0.000) 5.875 3.376 ( -0.000 5.876 -0.000) 5.876 3.524 ( -0.000 -12.270 -0.000) 12.270 3.524 ( -0.000 12.271 0.000) 12.271 3.675 ( -0.000 -3.201 -0.000) 3.201 3.675 ( -0.000 3.201 0.000) 3.201 4.275 ( -0.000 -2.034 -0.000) 2.034 4.275 ( -0.000 2.034 0.000) 2.034 4.456 ( -0.000 -1.436 0.001) 1.436 4.456 ( -0.000 1.437 0.000) 1.437 5.103 ( -0.000 -1.939 0.000) 1.939 5.103 ( -0.000 1.939 0.000) 1.939 6.795 ( -0.000 -5.239 0.000) 5.239 6.795 ( -0.000 5.240 0.000) 5.240 7.215 ( -0.000 -5.956 0.000) 5.956 7.215 ( -0.000 5.956 0.000) 5.956 7.646 ( -0.001 -0.152 0.001) 0.152 7.646 ( -0.001 0.154 0.001) 0.154 9.443 ( -0.000 -0.459 0.000) 0.459 9.443 ( -0.000 0.459 0.000) 0.459 18.063 ( -0.001 -4.635 0.000) 4.635 18.063 ( -0.001 4.636 0.000) 4.636 =================== 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 3/17280 10.0 959.506 671.117 807.506 0.000 236.529 0.000 3/17280 20.0 158.532 148.792 128.488 0.000 40.370 0.000 3/17280 30.0 54.221 64.596 43.865 0.000 13.679 0.000 3/17280 40.0 29.515 40.827 23.958 0.000 7.400 0.000 3/17280 50.0 19.973 29.980 16.262 0.000 4.987 0.000 3/17280 60.0 15.072 23.616 12.289 0.000 3.751 0.000 3/17280 70.0 12.107 19.428 9.874 0.000 3.002 0.000 3/17280 80.0 10.126 16.487 8.256 0.000 2.502 0.000 3/17280 90.0 8.713 14.324 7.099 0.000 2.146 0.000 3/17280 100.0 7.655 12.674 6.232 0.000 1.879 0.000 3/17280 110.0 6.834 11.377 5.559 0.000 1.672 0.000 3/17280 120.0 6.178 10.330 5.021 0.000 1.507 0.000 3/17280 130.0 5.642 9.469 4.582 0.000 1.372 0.000 3/17280 140.0 5.196 8.747 4.217 0.000 1.260 0.000 3/17280 150.0 4.818 8.132 3.908 0.000 1.166 0.000 3/17280 160.0 4.494 7.603 3.643 0.000 1.085 0.000 3/17280 170.0 4.212 7.141 3.413 0.000 1.014 0.000 3/17280 180.0 3.966 6.735 3.212 0.000 0.953 0.000 3/17280 190.0 3.748 6.376 3.034 0.000 0.899 0.000 3/17280 200.0 3.553 6.054 2.876 0.000 0.850 0.000 3/17280 210.0 3.379 5.765 2.734 0.000 0.807 0.000 3/17280 220.0 3.222 5.504 2.606 0.000 0.768 0.000 3/17280 230.0 3.079 5.266 2.490 0.000 0.733 0.000 3/17280 240.0 2.949 5.048 2.385 0.000 0.701 0.000 3/17280 250.0 2.830 4.849 2.288 0.000 0.671 0.000 3/17280 260.0 2.720 4.665 2.199 0.000 0.644 0.000 3/17280 270.0 2.619 4.495 2.117 0.000 0.619 0.000 3/17280 280.0 2.525 4.338 2.041 0.000 0.596 0.000 3/17280 290.0 2.438 4.191 1.970 0.000 0.575 0.000 3/17280 300.0 2.357 4.054 1.904 0.000 0.555 0.000 3/17280 310.0 2.281 3.927 1.843 0.000 0.537 0.000 3/17280 320.0 2.210 3.807 1.785 0.000 0.520 0.000 3/17280 330.0 2.143 3.694 1.731 0.000 0.503 0.000 3/17280 340.0 2.081 3.588 1.680 0.000 0.488 0.000 3/17280 350.0 2.022 3.488 1.633 0.000 0.474 0.000 3/17280 360.0 1.966 3.393 1.588 0.000 0.460 0.000 3/17280 370.0 1.913 3.304 1.545 0.000 0.448 0.000 3/17280 380.0 1.863 3.219 1.504 0.000 0.436 0.000 3/17280 390.0 1.816 3.138 1.466 0.000 0.424 0.000 3/17280 400.0 1.771 3.062 1.430 0.000 0.414 0.000 3/17280 410.0 1.728 2.989 1.395 0.000 0.403 0.000 3/17280 420.0 1.687 2.919 1.362 0.000 0.393 0.000 3/17280 430.0 1.648 2.853 1.331 0.000 0.384 0.000 3/17280 440.0 1.611 2.790 1.301 0.000 0.375 0.000 3/17280 450.0 1.576 2.729 1.272 0.000 0.367 0.000 3/17280 460.0 1.542 2.671 1.245 0.000 0.359 0.000 3/17280 470.0 1.510 2.616 1.219 0.000 0.351 0.000 3/17280 480.0 1.478 2.562 1.193 0.000 0.344 0.000 3/17280 490.0 1.449 2.511 1.169 0.000 0.337 0.000 3/17280 500.0 1.420 2.462 1.146 0.000 0.330 0.000 3/17280 510.0 1.392 2.415 1.124 0.000 0.323 0.000 3/17280 520.0 1.366 2.369 1.102 0.000 0.317 0.000 3/17280 530.0 1.340 2.326 1.082 0.000 0.311 0.000 3/17280 540.0 1.316 2.283 1.062 0.000 0.305 0.000 3/17280 550.0 1.292 2.243 1.043 0.000 0.300 0.000 3/17280 560.0 1.269 2.203 1.024 0.000 0.294 0.000 3/17280 570.0 1.247 2.165 1.007 0.000 0.289 0.000 3/17280 580.0 1.226 2.129 0.989 0.000 0.284 0.000 3/17280 590.0 1.205 2.093 0.973 0.000 0.279 0.000 3/17280 600.0 1.185 2.059 0.957 0.000 0.274 0.000 3/17280 610.0 1.166 2.026 0.941 0.000 0.270 0.000 3/17280 620.0 1.148 1.994 0.926 0.000 0.266 0.000 3/17280 630.0 1.129 1.963 0.911 0.000 0.261 0.000 3/17280 640.0 1.112 1.933 0.897 0.000 0.257 0.000 3/17280 650.0 1.095 1.903 0.884 0.000 0.253 0.000 3/17280 660.0 1.079 1.875 0.870 0.000 0.249 0.000 3/17280 670.0 1.063 1.847 0.857 0.000 0.246 0.000 3/17280 680.0 1.047 1.821 0.845 0.000 0.242 0.000 3/17280 690.0 1.032 1.795 0.833 0.000 0.238 0.000 3/17280 700.0 1.018 1.770 0.821 0.000 0.235 0.000 3/17280 710.0 1.003 1.745 0.810 0.000 0.232 0.000 3/17280 720.0 0.989 1.721 0.798 0.000 0.228 0.000 3/17280 730.0 0.976 1.698 0.788 0.000 0.225 0.000 3/17280 740.0 0.963 1.675 0.777 0.000 0.222 0.000 3/17280 750.0 0.950 1.653 0.767 0.000 0.219 0.000 3/17280 760.0 0.938 1.632 0.757 0.000 0.216 0.000 3/17280 770.0 0.926 1.611 0.747 0.000 0.214 0.000 3/17280 780.0 0.914 1.591 0.737 0.000 0.211 0.000 3/17280 790.0 0.902 1.571 0.728 0.000 0.208 0.000 3/17280 800.0 0.891 1.551 0.719 0.000 0.206 0.000 3/17280 810.0 0.880 1.532 0.710 0.000 0.203 0.000 3/17280 820.0 0.870 1.514 0.702 0.000 0.201 0.000 3/17280 830.0 0.859 1.496 0.693 0.000 0.198 0.000 3/17280 840.0 0.849 1.478 0.685 0.000 0.196 0.000 3/17280 850.0 0.839 1.461 0.677 0.000 0.193 0.000 3/17280 860.0 0.830 1.444 0.669 0.000 0.191 0.000 3/17280 870.0 0.820 1.428 0.662 0.000 0.189 0.000 3/17280 880.0 0.811 1.412 0.654 0.000 0.187 0.000 3/17280 890.0 0.802 1.396 0.647 0.000 0.185 0.000 3/17280 900.0 0.793 1.381 0.640 0.000 0.183 0.000 3/17280 910.0 0.784 1.366 0.633 0.000 0.181 0.000 3/17280 920.0 0.776 1.351 0.626 0.000 0.179 0.000 3/17280 930.0 0.768 1.337 0.619 0.000 0.177 0.000 3/17280 940.0 0.759 1.323 0.613 0.000 0.175 0.000 3/17280 950.0 0.751 1.309 0.606 0.000 0.173 0.000 3/17280 960.0 0.744 1.296 0.600 0.000 0.171 0.000 3/17280 970.0 0.736 1.282 0.594 0.000 0.170 0.000 3/17280 980.0 0.729 1.269 0.588 0.000 0.168 0.000 3/17280 990.0 0.721 1.257 0.582 0.000 0.166 0.000 3/17280 1000.0 0.714 1.244 0.576 0.000 0.164 0.000 3/17280 Thermal conductivity related properties were written into "kappa-m8126.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 04:26:33]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|