----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 22:49:04]------------------------- 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 1 2] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: Ibam (72) Number of symmetry operations in supercell: 64 ------------------------------ primitive cell ------------------------------ Lattice vectors: a -3.173959230000001 5.553829890000001 2.916193370000000 b 3.173959230000001 -5.553829890000001 2.916193370000000 c 3.173959230000001 5.553829890000001 -2.916193370000000 Atomic positions (fractional): *1 Na 0.64180395908186 0.84633439651098 0.48813835559284 22.990 2 Na 0.35819604091814 0.15366560348902 0.51186164440716 22.990 3 Na 0.85819604091814 0.34633439651098 0.20453043742911 22.990 4 Na 0.14180395908186 0.65366560348902 0.79546956257089 22.990 *5 S 0.11211951383948 0.21327222694754 0.32539174078701 32.065 6 S 0.88788048616052 0.78672777305246 0.67460825921299 32.065 7 S 0.38788048616052 0.71327222694754 0.10115271310806 32.065 8 S 0.61211951383948 0.28672777305246 0.89884728689194 32.065 *9 Zn 0.75000000000000 0.75000000000000 0.00000000000000 65.380 10 Zn 0.25000000000000 0.25000000000000 0.00000000000000 65.380 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.347918460000002 0.000000000000000 0.000000000000000 b 0.000000000000000 11.107659780000002 0.000000000000000 c 0.000000000000000 0.000000000000000 5.832386740000000 Atomic positions (fractional): *1 Na 0.34633439651098 0.14180395908186 0.50000000000000 22.990 > 1 2 Na 0.15366560348902 0.35819604091814 0.00000000000000 22.990 > 2 3 Na 0.84633439651098 0.35819604091814 0.50000000000000 22.990 > 3 4 Na 0.65366560348902 0.14180395908186 0.00000000000000 22.990 > 4 5 Na 0.84633439651098 0.64180395908187 0.00000000000000 22.990 > 1 6 Na 0.65366560348902 0.85819604091813 0.50000000000000 22.990 > 2 7 Na 0.34633439651098 0.85819604091813 0.00000000000000 22.990 > 3 8 Na 0.15366560348902 0.64180395908187 0.50000000000000 22.990 > 4 *9 S 0.21327222694754 0.11211951383948 0.00000000000000 32.065 > 5 10 S 0.28672777305246 0.38788048616052 0.50000000000000 32.065 > 6 11 S 0.71327222694754 0.38788048616052 0.00000000000000 32.065 > 7 12 S 0.78672777305246 0.11211951383948 0.50000000000000 32.065 > 8 13 S 0.71327222694754 0.61211951383948 0.50000000000000 32.065 > 5 14 S 0.78672777305246 0.88788048616052 0.00000000000000 32.065 > 6 15 S 0.21327222694754 0.88788048616052 0.50000000000000 32.065 > 7 16 S 0.28672777305246 0.61211951383948 0.00000000000000 32.065 > 8 *17 Zn 0.00000000000000 0.00000000000000 0.75000000000000 65.380 > 9 18 Zn 0.00000000000000 0.00000000000000 0.25000000000000 65.380 > 10 19 Zn 0.50000000000000 0.50000000000000 0.25000000000000 65.380 > 9 20 Zn 0.50000000000000 0.50000000000000 0.75000000000000 65.380 > 10 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.695836920000003 0.000000000000000 0.000000000000000 b 0.000000000000000 11.107659780000002 0.000000000000000 c 0.000000000000000 0.000000000000000 11.664773479999999 Atomic positions (fractional): *1 Na 0.17316719825549 0.14180395908186 0.25000000000000 22.990 > 1 2 Na 0.67316719825549 0.14180395908186 0.25000000000000 22.990 > 1 3 Na 0.17316719825549 0.14180395908186 0.75000000000000 22.990 > 1 4 Na 0.67316719825549 0.14180395908186 0.75000000000000 22.990 > 1 5 Na 0.07683280174451 0.35819604091814 0.00000000000000 22.990 > 2 6 Na 0.57683280174451 0.35819604091814 0.00000000000000 22.990 > 2 7 Na 0.07683280174451 0.35819604091814 0.50000000000000 22.990 > 2 8 Na 0.57683280174451 0.35819604091814 0.50000000000000 22.990 > 2 9 Na 0.42316719825549 0.35819604091814 0.25000000000000 22.990 > 3 10 Na 0.92316719825549 0.35819604091814 0.25000000000000 22.990 > 3 11 Na 0.42316719825549 0.35819604091814 0.75000000000000 22.990 > 3 12 Na 0.92316719825549 0.35819604091814 0.75000000000000 22.990 > 3 13 Na 0.32683280174451 0.14180395908186 0.00000000000000 22.990 > 4 14 Na 0.82683280174451 0.14180395908186 0.00000000000000 22.990 > 4 15 Na 0.32683280174451 0.14180395908186 0.50000000000000 22.990 > 4 16 Na 0.82683280174451 0.14180395908186 0.50000000000000 22.990 > 4 17 Na 0.42316719825549 0.64180395908187 0.00000000000000 22.990 > 1 18 Na 0.92316719825549 0.64180395908187 0.00000000000000 22.990 > 1 19 Na 0.42316719825549 0.64180395908187 0.50000000000000 22.990 > 1 20 Na 0.92316719825549 0.64180395908187 0.50000000000000 22.990 > 1 21 Na 0.32683280174451 0.85819604091813 0.25000000000000 22.990 > 2 22 Na 0.82683280174451 0.85819604091813 0.25000000000000 22.990 > 2 23 Na 0.32683280174451 0.85819604091813 0.75000000000000 22.990 > 2 24 Na 0.82683280174451 0.85819604091813 0.75000000000000 22.990 > 2 25 Na 0.17316719825549 0.85819604091813 0.00000000000000 22.990 > 3 26 Na 0.67316719825549 0.85819604091813 0.00000000000000 22.990 > 3 27 Na 0.17316719825549 0.85819604091813 0.50000000000000 22.990 > 3 28 Na 0.67316719825549 0.85819604091813 0.50000000000000 22.990 > 3 29 Na 0.07683280174451 0.64180395908187 0.25000000000000 22.990 > 4 30 Na 0.57683280174451 0.64180395908187 0.25000000000000 22.990 > 4 31 Na 0.07683280174451 0.64180395908187 0.75000000000000 22.990 > 4 32 Na 0.57683280174451 0.64180395908187 0.75000000000000 22.990 > 4 *33 S 0.10663611347377 0.11211951383948 0.00000000000000 32.065 > 5 34 S 0.60663611347377 0.11211951383948 0.00000000000000 32.065 > 5 35 S 0.10663611347377 0.11211951383948 0.50000000000000 32.065 > 5 36 S 0.60663611347377 0.11211951383948 0.50000000000000 32.065 > 5 37 S 0.14336388652623 0.38788048616052 0.25000000000000 32.065 > 6 38 S 0.64336388652623 0.38788048616052 0.25000000000000 32.065 > 6 39 S 0.14336388652623 0.38788048616052 0.75000000000000 32.065 > 6 40 S 0.64336388652623 0.38788048616052 0.75000000000000 32.065 > 6 41 S 0.35663611347377 0.38788048616052 0.00000000000000 32.065 > 7 42 S 0.85663611347377 0.38788048616052 0.00000000000000 32.065 > 7 43 S 0.35663611347377 0.38788048616052 0.50000000000000 32.065 > 7 44 S 0.85663611347377 0.38788048616052 0.50000000000000 32.065 > 7 45 S 0.39336388652623 0.11211951383948 0.25000000000000 32.065 > 8 46 S 0.89336388652623 0.11211951383948 0.25000000000000 32.065 > 8 47 S 0.39336388652623 0.11211951383948 0.75000000000000 32.065 > 8 48 S 0.89336388652623 0.11211951383948 0.75000000000000 32.065 > 8 49 S 0.35663611347377 0.61211951383948 0.25000000000000 32.065 > 5 50 S 0.85663611347377 0.61211951383948 0.25000000000000 32.065 > 5 51 S 0.35663611347377 0.61211951383948 0.75000000000000 32.065 > 5 52 S 0.85663611347377 0.61211951383948 0.75000000000000 32.065 > 5 53 S 0.39336388652623 0.88788048616052 0.00000000000000 32.065 > 6 54 S 0.89336388652623 0.88788048616052 0.00000000000000 32.065 > 6 55 S 0.39336388652623 0.88788048616052 0.50000000000000 32.065 > 6 56 S 0.89336388652623 0.88788048616052 0.50000000000000 32.065 > 6 57 S 0.10663611347377 0.88788048616052 0.25000000000000 32.065 > 7 58 S 0.60663611347377 0.88788048616052 0.25000000000000 32.065 > 7 59 S 0.10663611347377 0.88788048616052 0.75000000000000 32.065 > 7 60 S 0.60663611347377 0.88788048616052 0.75000000000000 32.065 > 7 61 S 0.14336388652623 0.61211951383948 0.00000000000000 32.065 > 8 62 S 0.64336388652623 0.61211951383948 0.00000000000000 32.065 > 8 63 S 0.14336388652623 0.61211951383948 0.50000000000000 32.065 > 8 64 S 0.64336388652623 0.61211951383948 0.50000000000000 32.065 > 8 *65 Zn 0.00000000000000 0.00000000000000 0.37500000000000 65.380 > 9 66 Zn 0.50000000000000 0.00000000000000 0.37500000000000 65.380 > 9 67 Zn 0.00000000000000 0.00000000000000 0.87500000000000 65.380 > 9 68 Zn 0.50000000000000 0.00000000000000 0.87500000000000 65.380 > 9 69 Zn 0.00000000000000 0.00000000000000 0.12500000000000 65.380 > 10 70 Zn 0.50000000000000 0.00000000000000 0.12500000000000 65.380 > 10 71 Zn 0.00000000000000 0.00000000000000 0.62500000000000 65.380 > 10 72 Zn 0.50000000000000 0.00000000000000 0.62500000000000 65.380 > 10 73 Zn 0.25000000000000 0.50000000000000 0.12500000000000 65.380 > 9 74 Zn 0.75000000000000 0.50000000000000 0.12500000000000 65.380 > 9 75 Zn 0.25000000000000 0.50000000000000 0.62500000000000 65.380 > 9 76 Zn 0.75000000000000 0.50000000000000 0.62500000000000 65.380 > 9 77 Zn 0.25000000000000 0.50000000000000 0.37500000000000 65.380 > 10 78 Zn 0.75000000000000 0.50000000000000 0.37500000000000 65.380 > 10 79 Zn 0.25000000000000 0.50000000000000 0.87500000000000 65.380 > 10 80 Zn 0.75000000000000 0.50000000000000 0.87500000000000 65.380 > 10 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.2733098 0.0000000 0.0000000 0.0000000 4.1217582 0.0000000 0.0000000 0.0000000 4.8621101 -------------------------- Born effective charges -------------------------- 1 Na 1.2021748 0.1934059 0.0000000 0.0208903 1.1400787 0.0000000 0.0000000 0.0000000 1.1312267 2 Na 1.2021748 0.1934059 0.0000000 0.0208903 1.1400787 0.0000000 0.0000000 0.0000000 1.1312267 3 Na 1.2021748 -0.1934059 0.0000000 -0.0208903 1.1400787 0.0000000 0.0000000 0.0000000 1.1312267 4 Na 1.2021748 -0.1934059 0.0000000 -0.0208903 1.1400787 0.0000000 0.0000000 0.0000000 1.1312267 5 S -1.9273674 -0.4392925 0.0000000 -0.5031685 -1.7819780 0.0000000 0.0000000 0.0000000 -2.2992112 6 S -1.9273674 -0.4392925 0.0000000 -0.5031685 -1.7819780 0.0000000 0.0000000 0.0000000 -2.2992112 7 S -1.9273674 0.4392925 0.0000000 0.5031685 -1.7819780 0.0000000 0.0000000 0.0000000 -2.2992112 8 S -1.9273674 0.4392925 0.0000000 0.5031685 -1.7819780 0.0000000 0.0000000 0.0000000 -2.2992112 9 Zn 1.4503852 0.0000000 0.0000000 0.0000000 1.2837986 0.0000000 0.0000000 0.0000000 2.3359691 10 Zn 1.4503852 0.0000000 0.0000000 0.0000000 1.2837986 0.0000000 0.0000000 0.0000000 2.3359691 ---------------------------------------------------------------------------- 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: 240/240 Permutation basis: 4368/4368 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 536 Number of blocks in projector: 536 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: 131 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 91 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 91 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 91 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 67 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 65 Use standard eigh solver. Tree of FC basis block matrices: - (536, 523), data: False |-- (65, 65), data: True |-- (67, 67), data: True |-- (91, 88), data: True |-- (91, 88), data: True |-- (91, 88), data: True |-- (131, 127), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 160 - Time: 0.387 Solver_block: 160 / 160 - Time: 0.323 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.758 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 240/240 Permutation basis: 4368/4368 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 536 Number of blocks in projector: 536 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: 131 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 91 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 91 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 91 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 67 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 65 Use standard eigh solver. Tree of FC basis block matrices: - (536, 523), data: False |-- (65, 65), data: True |-- (67, 67), data: True |-- (91, 88), data: True |-- (91, 88), data: True |-- (91, 88), data: True |-- (131, 127), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 22:49:12]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:49:12]------------------------- 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 1 2] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: Ibam (72) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -3.173959230000001 5.553829890000001 2.916193370000000 b 3.173959230000001 -5.553829890000001 2.916193370000000 c 3.173959230000001 5.553829890000001 -2.916193370000000 Atomic positions (fractional): 1 Na 0.64180395908186 0.84633439651098 0.48813835559284 22.990 2 Na 0.35819604091814 0.15366560348902 0.51186164440716 22.990 3 Na 0.85819604091814 0.34633439651098 0.20453043742911 22.990 4 Na 0.14180395908186 0.65366560348902 0.79546956257089 22.990 5 S 0.11211951383948 0.21327222694754 0.32539174078701 32.065 6 S 0.88788048616052 0.78672777305246 0.67460825921299 32.065 7 S 0.38788048616052 0.71327222694754 0.10115271310806 32.065 8 S 0.61211951383948 0.28672777305246 0.89884728689194 32.065 9 Zn 0.75000000000000 0.75000000000000 0.00000000000000 65.380 10 Zn 0.25000000000000 0.25000000000000 0.00000000000000 65.380 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.695836920000003 0.000000000000000 0.000000000000000 b 0.000000000000000 11.107659780000002 0.000000000000000 c 0.000000000000000 0.000000000000000 11.664773479999999 Atomic positions (fractional): 1 Na 0.17316719825549 0.14180395908186 0.25000000000000 22.990 > 1 2 Na 0.67316719825549 0.14180395908186 0.25000000000000 22.990 > 1 3 Na 0.17316719825549 0.14180395908186 0.75000000000000 22.990 > 1 4 Na 0.67316719825549 0.14180395908186 0.75000000000000 22.990 > 1 5 Na 0.07683280174451 0.35819604091814 0.00000000000000 22.990 > 5 6 Na 0.57683280174451 0.35819604091814 0.00000000000000 22.990 > 5 7 Na 0.07683280174451 0.35819604091814 0.50000000000000 22.990 > 5 8 Na 0.57683280174451 0.35819604091814 0.50000000000000 22.990 > 5 9 Na 0.42316719825549 0.35819604091814 0.25000000000000 22.990 > 9 10 Na 0.92316719825549 0.35819604091814 0.25000000000000 22.990 > 9 11 Na 0.42316719825549 0.35819604091814 0.75000000000000 22.990 > 9 12 Na 0.92316719825549 0.35819604091814 0.75000000000000 22.990 > 9 13 Na 0.32683280174451 0.14180395908186 0.00000000000000 22.990 > 13 14 Na 0.82683280174451 0.14180395908186 0.00000000000000 22.990 > 13 15 Na 0.32683280174451 0.14180395908186 0.50000000000000 22.990 > 13 16 Na 0.82683280174451 0.14180395908186 0.50000000000000 22.990 > 13 17 Na 0.42316719825549 0.64180395908187 0.00000000000000 22.990 > 1 18 Na 0.92316719825549 0.64180395908187 0.00000000000000 22.990 > 1 19 Na 0.42316719825549 0.64180395908187 0.50000000000000 22.990 > 1 20 Na 0.92316719825549 0.64180395908187 0.50000000000000 22.990 > 1 21 Na 0.32683280174451 0.85819604091813 0.25000000000000 22.990 > 5 22 Na 0.82683280174451 0.85819604091813 0.25000000000000 22.990 > 5 23 Na 0.32683280174451 0.85819604091813 0.75000000000000 22.990 > 5 24 Na 0.82683280174451 0.85819604091813 0.75000000000000 22.990 > 5 25 Na 0.17316719825549 0.85819604091813 0.00000000000000 22.990 > 9 26 Na 0.67316719825549 0.85819604091813 0.00000000000000 22.990 > 9 27 Na 0.17316719825549 0.85819604091813 0.50000000000000 22.990 > 9 28 Na 0.67316719825549 0.85819604091813 0.50000000000000 22.990 > 9 29 Na 0.07683280174451 0.64180395908187 0.25000000000000 22.990 > 13 30 Na 0.57683280174451 0.64180395908187 0.25000000000000 22.990 > 13 31 Na 0.07683280174451 0.64180395908187 0.75000000000000 22.990 > 13 32 Na 0.57683280174451 0.64180395908187 0.75000000000000 22.990 > 13 33 S 0.10663611347377 0.11211951383948 0.00000000000000 32.065 > 33 34 S 0.60663611347377 0.11211951383948 0.00000000000000 32.065 > 33 35 S 0.10663611347377 0.11211951383948 0.50000000000000 32.065 > 33 36 S 0.60663611347377 0.11211951383948 0.50000000000000 32.065 > 33 37 S 0.14336388652623 0.38788048616052 0.25000000000000 32.065 > 37 38 S 0.64336388652623 0.38788048616052 0.25000000000000 32.065 > 37 39 S 0.14336388652623 0.38788048616052 0.75000000000000 32.065 > 37 40 S 0.64336388652623 0.38788048616052 0.75000000000000 32.065 > 37 41 S 0.35663611347377 0.38788048616052 0.00000000000000 32.065 > 41 42 S 0.85663611347377 0.38788048616052 0.00000000000000 32.065 > 41 43 S 0.35663611347377 0.38788048616052 0.50000000000000 32.065 > 41 44 S 0.85663611347377 0.38788048616052 0.50000000000000 32.065 > 41 45 S 0.39336388652623 0.11211951383948 0.25000000000000 32.065 > 45 46 S 0.89336388652623 0.11211951383948 0.25000000000000 32.065 > 45 47 S 0.39336388652623 0.11211951383948 0.75000000000000 32.065 > 45 48 S 0.89336388652623 0.11211951383948 0.75000000000000 32.065 > 45 49 S 0.35663611347377 0.61211951383948 0.25000000000000 32.065 > 33 50 S 0.85663611347377 0.61211951383948 0.25000000000000 32.065 > 33 51 S 0.35663611347377 0.61211951383948 0.75000000000000 32.065 > 33 52 S 0.85663611347377 0.61211951383948 0.75000000000000 32.065 > 33 53 S 0.39336388652623 0.88788048616052 0.00000000000000 32.065 > 37 54 S 0.89336388652623 0.88788048616052 0.00000000000000 32.065 > 37 55 S 0.39336388652623 0.88788048616052 0.50000000000000 32.065 > 37 56 S 0.89336388652623 0.88788048616052 0.50000000000000 32.065 > 37 57 S 0.10663611347377 0.88788048616052 0.25000000000000 32.065 > 41 58 S 0.60663611347377 0.88788048616052 0.25000000000000 32.065 > 41 59 S 0.10663611347377 0.88788048616052 0.75000000000000 32.065 > 41 60 S 0.60663611347377 0.88788048616052 0.75000000000000 32.065 > 41 61 S 0.14336388652623 0.61211951383948 0.00000000000000 32.065 > 45 62 S 0.64336388652623 0.61211951383948 0.00000000000000 32.065 > 45 63 S 0.14336388652623 0.61211951383948 0.50000000000000 32.065 > 45 64 S 0.64336388652623 0.61211951383948 0.50000000000000 32.065 > 45 65 Zn 0.00000000000000 0.00000000000000 0.37500000000000 65.380 > 65 66 Zn 0.50000000000000 0.00000000000000 0.37500000000000 65.380 > 65 67 Zn 0.00000000000000 0.00000000000000 0.87500000000000 65.380 > 65 68 Zn 0.50000000000000 0.00000000000000 0.87500000000000 65.380 > 65 69 Zn 0.00000000000000 0.00000000000000 0.12500000000000 65.380 > 69 70 Zn 0.50000000000000 0.00000000000000 0.12500000000000 65.380 > 69 71 Zn 0.00000000000000 0.00000000000000 0.62500000000000 65.380 > 69 72 Zn 0.50000000000000 0.00000000000000 0.62500000000000 65.380 > 69 73 Zn 0.25000000000000 0.50000000000000 0.12500000000000 65.380 > 65 74 Zn 0.75000000000000 0.50000000000000 0.12500000000000 65.380 > 65 75 Zn 0.25000000000000 0.50000000000000 0.62500000000000 65.380 > 65 76 Zn 0.75000000000000 0.50000000000000 0.62500000000000 65.380 > 65 77 Zn 0.25000000000000 0.50000000000000 0.37500000000000 65.380 > 69 78 Zn 0.75000000000000 0.50000000000000 0.37500000000000 65.380 > 69 79 Zn 0.25000000000000 0.50000000000000 0.87500000000000 65.380 > 69 80 Zn 0.75000000000000 0.50000000000000 0.87500000000000 65.380 > 69 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.2733098 0.0000000 0.0000000 0.0000000 4.1217582 0.0000000 0.0000000 0.0000000 4.8621101 -------------------------- Born effective charges -------------------------- 1 Na 1.2021748 0.1934059 0.0000000 0.0208903 1.1400787 0.0000000 0.0000000 0.0000000 1.1312267 2 Na 1.2021748 0.1934059 0.0000000 0.0208903 1.1400787 0.0000000 0.0000000 0.0000000 1.1312267 3 Na 1.2021748 -0.1934059 0.0000000 -0.0208903 1.1400787 0.0000000 0.0000000 0.0000000 1.1312267 4 Na 1.2021748 -0.1934059 0.0000000 -0.0208903 1.1400787 0.0000000 0.0000000 0.0000000 1.1312267 5 S -1.9273674 -0.4392925 0.0000000 -0.5031685 -1.7819780 0.0000000 0.0000000 0.0000000 -2.2992112 6 S -1.9273674 -0.4392925 0.0000000 -0.5031685 -1.7819780 0.0000000 0.0000000 0.0000000 -2.2992112 7 S -1.9273674 0.4392925 0.0000000 0.5031685 -1.7819780 0.0000000 0.0000000 0.0000000 -2.2992112 8 S -1.9273674 0.4392925 0.0000000 0.5031685 -1.7819780 0.0000000 0.0000000 0.0000000 -2.2992112 9 Zn 1.4503852 0.0000000 0.0000000 0.0000000 1.2837986 0.0000000 0.0000000 0.0000000 2.3359691 10 Zn 1.4503852 0.0000000 0.0000000 0.0000000 1.2837986 0.0000000 0.0000000 0.0000000 2.3359691 ---------------------------------------------------------------------------- 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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 (xy) -0.00000000 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:49:18]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:49:19]------------------------- 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 1 2] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: Ibam (72) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -3.173959230000001 5.553829890000001 2.916193370000000 b 3.173959230000001 -5.553829890000001 2.916193370000000 c 3.173959230000001 5.553829890000001 -2.916193370000000 Atomic positions (fractional): 1 Na 0.64180395908186 0.84633439651098 0.48813835559284 22.990 2 Na 0.35819604091814 0.15366560348902 0.51186164440716 22.990 3 Na 0.85819604091814 0.34633439651098 0.20453043742911 22.990 4 Na 0.14180395908186 0.65366560348902 0.79546956257089 22.990 5 S 0.11211951383948 0.21327222694754 0.32539174078701 32.065 6 S 0.88788048616052 0.78672777305246 0.67460825921299 32.065 7 S 0.38788048616052 0.71327222694754 0.10115271310806 32.065 8 S 0.61211951383948 0.28672777305246 0.89884728689194 32.065 9 Zn 0.75000000000000 0.75000000000000 0.00000000000000 65.380 10 Zn 0.25000000000000 0.25000000000000 0.00000000000000 65.380 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.695836920000003 0.000000000000000 0.000000000000000 b 0.000000000000000 11.107659780000002 0.000000000000000 c 0.000000000000000 0.000000000000000 11.664773479999999 Atomic positions (fractional): 1 Na 0.17316719825549 0.14180395908186 0.25000000000000 22.990 > 1 2 Na 0.67316719825549 0.14180395908186 0.25000000000000 22.990 > 1 3 Na 0.17316719825549 0.14180395908186 0.75000000000000 22.990 > 1 4 Na 0.67316719825549 0.14180395908186 0.75000000000000 22.990 > 1 5 Na 0.07683280174451 0.35819604091814 0.00000000000000 22.990 > 5 6 Na 0.57683280174451 0.35819604091814 0.00000000000000 22.990 > 5 7 Na 0.07683280174451 0.35819604091814 0.50000000000000 22.990 > 5 8 Na 0.57683280174451 0.35819604091814 0.50000000000000 22.990 > 5 9 Na 0.42316719825549 0.35819604091814 0.25000000000000 22.990 > 9 10 Na 0.92316719825549 0.35819604091814 0.25000000000000 22.990 > 9 11 Na 0.42316719825549 0.35819604091814 0.75000000000000 22.990 > 9 12 Na 0.92316719825549 0.35819604091814 0.75000000000000 22.990 > 9 13 Na 0.32683280174451 0.14180395908186 0.00000000000000 22.990 > 13 14 Na 0.82683280174451 0.14180395908186 0.00000000000000 22.990 > 13 15 Na 0.32683280174451 0.14180395908186 0.50000000000000 22.990 > 13 16 Na 0.82683280174451 0.14180395908186 0.50000000000000 22.990 > 13 17 Na 0.42316719825549 0.64180395908187 0.00000000000000 22.990 > 1 18 Na 0.92316719825549 0.64180395908187 0.00000000000000 22.990 > 1 19 Na 0.42316719825549 0.64180395908187 0.50000000000000 22.990 > 1 20 Na 0.92316719825549 0.64180395908187 0.50000000000000 22.990 > 1 21 Na 0.32683280174451 0.85819604091813 0.25000000000000 22.990 > 5 22 Na 0.82683280174451 0.85819604091813 0.25000000000000 22.990 > 5 23 Na 0.32683280174451 0.85819604091813 0.75000000000000 22.990 > 5 24 Na 0.82683280174451 0.85819604091813 0.75000000000000 22.990 > 5 25 Na 0.17316719825549 0.85819604091813 0.00000000000000 22.990 > 9 26 Na 0.67316719825549 0.85819604091813 0.00000000000000 22.990 > 9 27 Na 0.17316719825549 0.85819604091813 0.50000000000000 22.990 > 9 28 Na 0.67316719825549 0.85819604091813 0.50000000000000 22.990 > 9 29 Na 0.07683280174451 0.64180395908187 0.25000000000000 22.990 > 13 30 Na 0.57683280174451 0.64180395908187 0.25000000000000 22.990 > 13 31 Na 0.07683280174451 0.64180395908187 0.75000000000000 22.990 > 13 32 Na 0.57683280174451 0.64180395908187 0.75000000000000 22.990 > 13 33 S 0.10663611347377 0.11211951383948 0.00000000000000 32.065 > 33 34 S 0.60663611347377 0.11211951383948 0.00000000000000 32.065 > 33 35 S 0.10663611347377 0.11211951383948 0.50000000000000 32.065 > 33 36 S 0.60663611347377 0.11211951383948 0.50000000000000 32.065 > 33 37 S 0.14336388652623 0.38788048616052 0.25000000000000 32.065 > 37 38 S 0.64336388652623 0.38788048616052 0.25000000000000 32.065 > 37 39 S 0.14336388652623 0.38788048616052 0.75000000000000 32.065 > 37 40 S 0.64336388652623 0.38788048616052 0.75000000000000 32.065 > 37 41 S 0.35663611347377 0.38788048616052 0.00000000000000 32.065 > 41 42 S 0.85663611347377 0.38788048616052 0.00000000000000 32.065 > 41 43 S 0.35663611347377 0.38788048616052 0.50000000000000 32.065 > 41 44 S 0.85663611347377 0.38788048616052 0.50000000000000 32.065 > 41 45 S 0.39336388652623 0.11211951383948 0.25000000000000 32.065 > 45 46 S 0.89336388652623 0.11211951383948 0.25000000000000 32.065 > 45 47 S 0.39336388652623 0.11211951383948 0.75000000000000 32.065 > 45 48 S 0.89336388652623 0.11211951383948 0.75000000000000 32.065 > 45 49 S 0.35663611347377 0.61211951383948 0.25000000000000 32.065 > 33 50 S 0.85663611347377 0.61211951383948 0.25000000000000 32.065 > 33 51 S 0.35663611347377 0.61211951383948 0.75000000000000 32.065 > 33 52 S 0.85663611347377 0.61211951383948 0.75000000000000 32.065 > 33 53 S 0.39336388652623 0.88788048616052 0.00000000000000 32.065 > 37 54 S 0.89336388652623 0.88788048616052 0.00000000000000 32.065 > 37 55 S 0.39336388652623 0.88788048616052 0.50000000000000 32.065 > 37 56 S 0.89336388652623 0.88788048616052 0.50000000000000 32.065 > 37 57 S 0.10663611347377 0.88788048616052 0.25000000000000 32.065 > 41 58 S 0.60663611347377 0.88788048616052 0.25000000000000 32.065 > 41 59 S 0.10663611347377 0.88788048616052 0.75000000000000 32.065 > 41 60 S 0.60663611347377 0.88788048616052 0.75000000000000 32.065 > 41 61 S 0.14336388652623 0.61211951383948 0.00000000000000 32.065 > 45 62 S 0.64336388652623 0.61211951383948 0.00000000000000 32.065 > 45 63 S 0.14336388652623 0.61211951383948 0.50000000000000 32.065 > 45 64 S 0.64336388652623 0.61211951383948 0.50000000000000 32.065 > 45 65 Zn 0.00000000000000 0.00000000000000 0.37500000000000 65.380 > 65 66 Zn 0.50000000000000 0.00000000000000 0.37500000000000 65.380 > 65 67 Zn 0.00000000000000 0.00000000000000 0.87500000000000 65.380 > 65 68 Zn 0.50000000000000 0.00000000000000 0.87500000000000 65.380 > 65 69 Zn 0.00000000000000 0.00000000000000 0.12500000000000 65.380 > 69 70 Zn 0.50000000000000 0.00000000000000 0.12500000000000 65.380 > 69 71 Zn 0.00000000000000 0.00000000000000 0.62500000000000 65.380 > 69 72 Zn 0.50000000000000 0.00000000000000 0.62500000000000 65.380 > 69 73 Zn 0.25000000000000 0.50000000000000 0.12500000000000 65.380 > 65 74 Zn 0.75000000000000 0.50000000000000 0.12500000000000 65.380 > 65 75 Zn 0.25000000000000 0.50000000000000 0.62500000000000 65.380 > 65 76 Zn 0.75000000000000 0.50000000000000 0.62500000000000 65.380 > 65 77 Zn 0.25000000000000 0.50000000000000 0.37500000000000 65.380 > 69 78 Zn 0.75000000000000 0.50000000000000 0.37500000000000 65.380 > 69 79 Zn 0.25000000000000 0.50000000000000 0.87500000000000 65.380 > 69 80 Zn 0.75000000000000 0.50000000000000 0.87500000000000 65.380 > 69 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.2733098 0.0000000 0.0000000 0.0000000 4.1217582 0.0000000 0.0000000 0.0000000 4.8621101 -------------------------- Born effective charges -------------------------- 1 Na 1.2021748 0.1934059 0.0000000 0.0208903 1.1400787 0.0000000 0.0000000 0.0000000 1.1312267 2 Na 1.2021748 0.1934059 0.0000000 0.0208903 1.1400787 0.0000000 0.0000000 0.0000000 1.1312267 3 Na 1.2021748 -0.1934059 0.0000000 -0.0208903 1.1400787 0.0000000 0.0000000 0.0000000 1.1312267 4 Na 1.2021748 -0.1934059 0.0000000 -0.0208903 1.1400787 0.0000000 0.0000000 0.0000000 1.1312267 5 S -1.9273674 -0.4392925 0.0000000 -0.5031685 -1.7819780 0.0000000 0.0000000 0.0000000 -2.2992112 6 S -1.9273674 -0.4392925 0.0000000 -0.5031685 -1.7819780 0.0000000 0.0000000 0.0000000 -2.2992112 7 S -1.9273674 0.4392925 0.0000000 0.5031685 -1.7819780 0.0000000 0.0000000 0.0000000 -2.2992112 8 S -1.9273674 0.4392925 0.0000000 0.5031685 -1.7819780 0.0000000 0.0000000 0.0000000 -2.2992112 9 Zn 1.4503852 0.0000000 0.0000000 0.0000000 1.2837986 0.0000000 0.0000000 0.0000000 2.3359691 10 Zn 1.4503852 0.0000000 0.0000000 0.0000000 1.2837986 0.0000000 0.0000000 0.0000000 2.3359691 ---------------------------------------------------------------------------- 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 ... Generalized regular grid: [ 1 1 720 ] Grid generation matrix: [ 0 8 8 ] [ 5 0 5 ] [ 9 9 0 ] 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: 0.70, Number of G-points: 279, Lambda: 0.15 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/135) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.425 ( 0.000 0.000 0.000) 0.000 2.702 ( 0.000 0.000 0.000) 0.000 2.892 ( 0.000 0.000 0.000) 0.000 3.471 ( 0.000 0.000 0.000) 0.000 3.515 ( 0.000 0.000 0.000) 0.000 3.573 ( 0.000 0.000 0.000) 0.000 3.903 ( 0.000 0.000 0.000) 0.000 4.107 ( 0.000 0.000 0.000) 0.000 4.136 ( 0.000 0.000 0.000) 0.000 4.177 ( 0.000 0.000 0.000) 0.000 4.214 ( 0.000 0.000 0.000) 0.000 4.601 ( 0.000 0.000 0.000) 0.000 4.766 ( 0.000 0.000 0.000) 0.000 4.844 ( 0.000 0.000 0.000) 0.000 4.972 ( 0.000 0.000 0.000) 0.000 5.974 ( 0.000 0.000 0.000) 0.000 6.064 ( 0.000 0.000 0.000) 0.000 6.200 ( 0.000 0.000 0.000) 0.000 6.317 ( 0.000 0.000 0.000) 0.000 6.452 ( 0.000 0.000 0.000) 0.000 6.947 ( 0.000 0.000 0.000) 0.000 7.288 ( 0.000 0.000 0.000) 0.000 7.686 ( 0.000 0.000 0.000) 0.000 8.232 ( 0.000 0.000 0.000) 0.000 8.373 ( 0.000 0.000 0.000) 0.000 9.382 ( 0.000 0.000 0.000) 0.000 9.591 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/135) ======================= q-point: ( 0.60 -0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.429 ( -9.876 2.835 6.697) 12.265 1.730 ( -8.857 2.270 6.039) 10.958 2.153 ( 12.772 -2.433 5.414) 14.084 2.305 ( 8.725 -3.124 5.711) 10.885 2.439 ( -2.644 -2.876 0.547) 3.945 2.610 ( -2.216 -2.284 6.374) 7.124 2.745 ( 4.269 -2.551 -5.086) 7.114 2.883 ( 2.886 -2.534 -7.112) 8.083 3.142 ( 12.859 6.563 -0.962) 14.469 3.454 ( -0.368 0.981 -7.050) 7.127 3.731 ( 3.786 1.217 -3.052) 5.013 3.852 ( 0.459 1.023 -2.694) 2.918 4.019 ( 2.531 1.361 -4.970) 5.741 4.225 ( -0.842 0.087 -4.877) 4.950 5.045 ( -0.520 4.996 3.141) 5.924 5.131 ( -2.401 -2.095 7.451) 8.104 5.522 ( -1.770 -0.569 -4.218) 4.610 5.798 ( -6.912 4.715 -2.778) 8.816 5.877 ( -4.841 -1.851 -2.373) 5.700 6.025 ( -3.940 -0.328 -3.948) 5.587 6.068 ( -2.817 -3.573 -1.012) 4.661 6.234 ( -0.804 -1.820 -6.752) 7.039 7.057 ( -5.171 -1.348 11.673) 12.838 7.264 ( 3.011 -1.691 15.976) 16.345 7.364 ( -1.946 -2.289 2.646) 4.003 7.863 ( 1.040 1.219 6.424) 6.620 8.489 ( 6.689 4.791 7.591) 11.194 9.155 ( -3.192 -3.928 -5.955) 7.815 9.420 ( -0.978 0.860 -5.326) 5.483 9.724 ( 0.920 -0.448 -7.989) 8.054 ======================= Grid point 2 (3/135) ======================= q-point: ( 0.20 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.614 ( 7.271 0.485 11.683) 13.769 1.757 ( 6.823 4.820 9.915) 12.965 2.271 ( -3.638 0.041 -6.953) 7.847 2.398 ( -8.003 0.433 -8.354) 11.577 2.658 ( -6.506 -1.418 -1.668) 6.864 2.815 ( -8.088 -0.599 5.495) 9.796 3.017 ( -9.001 -1.178 -1.608) 9.219 3.109 ( -7.987 2.862 -4.343) 9.531 3.243 ( -11.084 -3.046 -3.746) 12.090 3.409 ( -6.132 -9.433 -0.385) 11.258 3.607 ( -1.916 0.526 -0.131) 1.991 3.744 ( -3.291 0.558 3.219) 4.638 3.823 ( -1.884 3.804 -1.393) 4.467 3.972 ( -6.902 5.698 3.320) 9.546 4.934 ( 7.054 4.009 2.315) 8.437 5.298 ( 4.525 0.419 -1.038) 4.661 5.414 ( 13.440 -1.551 2.105) 13.691 5.474 ( 15.125 -6.978 -5.072) 17.412 5.787 ( 2.314 -0.122 -0.369) 2.346 5.816 ( 4.612 -1.425 1.694) 5.116 6.006 ( 1.388 4.040 -2.001) 4.717 6.117 ( 0.129 0.189 -3.222) 3.230 7.186 ( 4.083 1.276 2.402) 4.906 7.346 ( 2.577 -1.351 -2.545) 3.865 8.004 ( -2.201 -1.028 -0.289) 2.447 8.171 ( -4.960 -9.298 4.587) 11.494 8.647 ( -1.360 8.332 5.659) 10.163 9.021 ( 0.358 -1.852 -3.838) 4.277 9.296 ( 1.175 2.258 -3.825) 4.595 9.363 ( -3.156 -0.175 -0.129) 3.164 ======================= Grid point 3 (4/135) ======================= q-point: (-0.20 -0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.238 ( -4.719 -7.880 -14.678) 17.315 1.373 ( -2.280 -6.803 -17.988) 19.366 2.280 ( -9.448 0.798 -22.168) 24.111 2.504 ( -0.394 -0.412 8.048) 8.069 2.554 ( -1.399 -4.078 -3.996) 5.878 3.065 ( 11.214 -0.005 9.382) 14.621 3.265 ( 7.379 6.183 5.716) 11.197 3.365 ( 10.980 0.819 1.302) 11.088 3.443 ( 3.084 10.170 -1.044) 10.678 3.656 ( 10.979 4.365 6.129) 13.310 3.766 ( 3.688 -2.213 6.755) 8.008 3.818 ( 3.362 2.153 2.081) 4.502 3.970 ( 10.867 -3.632 2.579) 11.745 4.092 ( 12.838 -6.272 -2.623) 14.527 4.823 ( -3.221 -2.627 0.343) 4.171 5.056 ( -15.245 -2.182 -3.977) 15.905 5.104 ( -14.555 1.334 0.245) 14.618 5.234 ( -17.140 2.171 1.440) 17.337 5.721 ( -0.674 1.330 0.682) 1.639 5.821 ( -1.319 0.065 5.348) 5.508 6.034 ( -0.606 -2.069 3.069) 3.750 6.173 ( -0.909 2.378 3.610) 4.418 7.072 ( -1.754 -0.018 -3.254) 3.697 7.342 ( -1.069 1.794 0.623) 2.179 7.983 ( 1.754 1.394 -6.052) 6.454 8.115 ( 3.460 15.261 -9.280) 18.193 8.627 ( 7.588 -9.048 -7.361) 13.915 9.056 ( -5.874 -4.407 8.317) 11.095 9.360 ( 0.588 0.967 3.448) 3.629 9.441 ( -0.272 -1.240 2.974) 3.234 ======================= Grid point 4 (5/135) ======================= q-point: ( 0.39 -0.51 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.493 ( -0.207 0.254 -4.645) 4.656 1.716 ( -1.888 -0.427 -2.055) 2.823 1.859 ( 1.386 -0.722 -6.895) 7.070 2.180 ( 0.873 -0.124 1.950) 2.140 2.522 ( 6.445 1.367 -4.700) 8.093 2.543 ( 2.007 0.490 -3.648) 4.193 2.792 ( -0.882 -1.797 -0.852) 2.176 2.967 ( -0.576 -0.699 7.856) 7.908 3.043 ( -3.255 -0.815 8.383) 9.030 3.484 ( -5.260 4.424 -2.982) 7.492 3.725 ( 0.420 3.014 2.653) 4.037 3.908 ( 1.315 0.489 2.175) 2.588 4.054 ( -2.003 -1.750 2.828) 3.882 4.320 ( -0.784 1.338 4.697) 4.946 4.991 ( 1.235 -6.627 -2.154) 7.076 5.053 ( 0.498 0.043 -4.356) 4.385 5.575 ( -0.190 -2.219 1.760) 2.839 5.889 ( -0.940 1.490 1.006) 2.028 5.988 ( 0.134 0.172 2.800) 2.808 6.126 ( 1.909 2.761 2.657) 4.281 6.197 ( 1.163 -2.914 5.343) 6.196 6.421 ( 0.037 0.784 11.100) 11.128 6.841 ( 1.920 0.953 -17.800) 17.929 6.930 ( -0.482 -0.351 -12.526) 12.541 7.384 ( 0.808 0.685 -0.637) 1.236 7.731 ( -0.642 -0.111 -4.901) 4.944 8.274 ( -2.050 -0.862 -4.679) 5.180 9.311 ( 1.955 0.640 3.755) 4.281 9.521 ( -0.185 -1.151 3.737) 3.915 9.825 ( -0.522 1.366 4.498) 4.730 ======================= Grid point 5 (6/135) ======================= q-point: (-0.01 0.12 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.562 ( 16.755 0.000 12.007) 20.613 0.594 ( 18.632 0.000 11.832) 22.072 1.184 ( 32.315 0.000 25.833) 41.371 2.457 ( 2.730 -0.000 0.569) 2.788 2.830 ( -3.902 -0.000 -2.462) 4.614 3.087 ( -21.355 0.000 16.846) 27.199 3.347 ( -10.823 -0.000 -4.485) 11.716 3.457 ( -6.803 0.000 3.991) 7.887 3.510 ( -12.097 0.000 3.947) 12.724 3.740 ( -21.409 0.000 0.325) 21.412 3.921 ( 2.371 -0.000 -6.060) 6.507 3.996 ( -6.741 -0.000 -5.294) 8.571 4.098 ( -12.902 0.000 -2.255) 13.097 4.106 ( -1.410 -0.000 -4.893) 5.092 4.752 ( 16.919 0.000 6.823) 18.243 4.809 ( 3.950 -0.000 0.574) 3.992 5.271 ( 24.237 -0.000 -0.357) 24.240 5.430 ( 22.813 -0.000 -24.553) 33.515 5.909 ( -0.550 -0.000 -4.583) 4.616 6.047 ( 2.103 -0.000 -4.448) 4.920 6.132 ( -2.450 -0.000 -2.619) 3.586 6.332 ( 2.347 -0.000 -2.768) 3.629 6.959 ( -0.638 0.000 2.734) 2.807 7.320 ( 1.265 0.000 1.563) 2.011 7.632 ( -35.455 0.000 42.821) 55.594 7.732 ( -0.774 0.000 5.213) 5.270 8.239 ( -0.763 0.000 1.952) 2.096 9.394 ( 2.396 -0.000 -1.667) 2.918 9.481 ( 11.363 -0.000 -15.812) 19.471 9.576 ( 1.545 -0.000 -3.309) 3.652 ======================= Grid point 6 (7/135) ======================= q-point: ( 0.59 -0.26 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.484 ( -0.221 5.872 12.006) 13.367 1.748 ( -4.391 3.252 7.543) 9.314 2.313 ( -3.686 -4.375 3.095) 6.505 2.433 ( 2.699 -2.928 0.306) 3.994 2.539 ( 3.306 -0.343 -3.097) 4.543 2.788 ( 6.084 -8.356 0.514) 10.349 2.844 ( 16.865 0.433 3.689) 17.269 2.985 ( 11.260 -3.572 4.549) 12.659 3.326 ( 2.938 1.909 -5.750) 6.733 3.373 ( 10.607 3.719 -2.131) 11.440 3.708 ( 1.497 -0.663 -4.559) 4.844 3.826 ( 3.058 6.210 -3.963) 7.976 3.997 ( 5.035 -2.031 -4.732) 7.202 4.122 ( 0.084 3.874 -3.897) 5.496 5.061 ( -3.510 5.251 3.289) 7.121 5.182 ( -8.512 -4.074 4.531) 10.467 5.306 ( -8.208 -3.855 -4.330) 10.048 5.514 ( -13.517 4.894 -4.349) 15.019 5.782 ( -3.073 1.633 -0.716) 3.553 5.863 ( -3.555 0.896 -2.783) 4.603 6.031 ( -2.366 -5.557 1.179) 6.154 6.122 ( -2.095 -1.973 -2.819) 4.029 7.136 ( -4.350 0.139 7.306) 8.504 7.286 ( -2.960 -2.896 -0.460) 4.166 7.695 ( 3.906 -3.397 15.275) 16.129 8.003 ( 1.386 3.312 5.424) 6.505 8.745 ( 3.431 3.780 5.763) 7.699 9.026 ( 2.828 -4.011 -5.040) 7.034 9.311 ( -0.869 -0.325 -3.346) 3.472 9.557 ( -1.182 0.401 -8.640) 8.730 ======================= Grid point 7 (8/135) ======================= q-point: ( 0.19 0.37 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.820 ( 5.307 -2.314 -9.462) 11.092 1.907 ( 6.822 1.755 -1.856) 7.284 2.189 ( -2.812 0.436 4.007) 4.914 2.253 ( -2.928 1.834 7.178) 7.966 2.444 ( -7.745 1.767 -1.102) 8.020 2.544 ( -16.276 3.718 -2.111) 16.828 2.820 ( -0.125 -1.573 -6.619) 6.805 2.886 ( -3.866 0.905 -5.008) 6.391 3.164 ( -2.931 -7.431 4.052) 8.957 3.297 ( -6.132 -7.230 1.145) 9.550 3.647 ( 1.336 -0.173 3.230) 3.499 3.740 ( -4.467 -1.842 2.707) 5.539 3.819 ( 0.139 6.512 1.023) 6.593 3.934 ( -4.534 7.166 5.172) 9.932 5.165 ( 6.788 1.818 3.892) 8.033 5.275 ( -1.413 1.073 -1.412) 2.267 5.573 ( 8.476 -6.838 -6.785) 12.831 5.707 ( 8.080 -1.671 3.181) 8.843 5.839 ( 2.212 -1.496 0.415) 2.702 5.940 ( 3.360 -2.034 2.147) 4.476 6.009 ( 1.473 3.924 -0.277) 4.200 6.069 ( -0.597 2.911 -0.729) 3.060 7.307 ( 4.567 1.436 0.927) 4.877 7.342 ( 2.615 -0.660 -3.803) 4.663 7.871 ( -0.245 0.111 -10.883) 10.886 8.100 ( -4.256 -3.865 -1.324) 5.900 8.801 ( 3.291 1.736 4.788) 6.064 8.867 ( -5.437 -0.980 -3.948) 6.791 9.274 ( 0.816 0.855 0.536) 1.297 9.384 ( -1.771 1.115 6.526) 6.854 ======================= Grid point 8 (9/135) ======================= q-point: (-0.21 -0.01 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.906 ( -0.000 -17.658 -13.723) 22.363 1.017 ( -0.000 -8.734 -20.087) 21.903 1.551 ( -0.000 -10.202 -31.962) 33.551 2.467 ( -0.000 -1.873 -2.891) 3.444 2.680 ( 0.000 -0.361 9.023) 9.030 3.319 ( 0.000 17.668 -6.075) 18.683 3.352 ( 0.000 1.235 6.901) 7.011 3.496 ( 0.000 10.119 -4.600) 11.115 3.575 ( 0.000 3.161 11.171) 11.610 3.832 ( -0.000 -6.002 0.224) 6.007 3.885 ( 0.000 7.966 3.056) 8.532 3.959 ( 0.000 0.487 9.198) 9.211 4.242 ( 0.000 -2.996 2.833) 4.123 4.287 ( -0.000 -5.972 0.446) 5.989 4.727 ( -0.000 1.937 -5.541) 5.869 4.809 ( -0.000 -3.705 -0.006) 3.705 4.930 ( -0.000 -4.253 -3.231) 5.341 4.954 ( 0.000 -0.697 1.471) 1.627 5.785 ( 0.000 2.339 4.880) 5.412 5.930 ( 0.000 -0.987 6.836) 6.906 6.096 ( 0.000 -0.447 3.950) 3.975 6.222 ( 0.000 3.869 2.720) 4.729 6.994 ( -0.000 1.697 -3.314) 3.723 7.323 ( -0.000 1.920 -1.467) 2.416 7.868 ( -0.000 0.119 -7.103) 7.104 7.946 ( -0.000 24.250 -14.385) 28.196 8.583 ( -0.000 -3.231 -7.704) 8.354 9.182 ( 0.000 -15.822 12.811) 20.358 9.420 ( -0.000 0.889 -0.742) 1.158 9.475 ( 0.000 0.131 5.173) 5.174 ======================= Grid point 9 (10/135) ======================= q-point: ( 0.39 -0.39 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.245 ( -12.393 2.292 -0.000) 12.604 1.514 ( -14.669 4.530 -0.000) 15.353 2.136 ( 23.284 -7.142 0.000) 24.355 2.297 ( 7.028 0.595 0.000) 7.054 2.354 ( -13.115 -6.358 0.000) 14.575 2.496 ( -1.632 -2.974 0.000) 3.393 2.956 ( 12.752 -0.974 0.000) 12.789 3.048 ( 2.007 -0.285 0.000) 2.027 3.200 ( 1.663 2.133 -0.000) 2.704 3.259 ( -2.386 15.571 -0.000) 15.753 3.839 ( 5.801 1.748 -0.000) 6.058 3.949 ( 0.489 -3.093 0.000) 3.132 4.049 ( -0.980 1.861 -0.000) 2.104 4.337 ( -2.880 1.366 -0.000) 3.188 4.982 ( -3.044 0.723 -0.000) 3.129 5.028 ( 3.523 -7.393 0.000) 8.190 5.610 ( 1.398 0.650 -0.000) 1.541 5.825 ( -6.258 -2.717 0.000) 6.822 5.958 ( -6.335 -0.615 -0.000) 6.365 6.173 ( -0.815 -0.257 0.000) 0.854 6.269 ( -2.099 -6.504 0.000) 6.834 6.582 ( -1.902 3.550 -0.000) 4.027 6.618 ( -1.257 3.729 -0.000) 3.936 6.753 ( 1.884 -5.056 0.000) 5.396 7.362 ( -2.049 -0.879 0.000) 2.230 7.688 ( 1.284 1.534 -0.000) 2.000 8.242 ( 3.182 3.291 -0.000) 4.578 9.349 ( -1.526 -3.271 0.000) 3.609 9.538 ( -1.873 -0.999 0.000) 2.123 9.884 ( 1.757 2.231 -0.000) 2.840 ======================= Grid point 10 (11/135) ======================= q-point: (-0.01 0.24 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 219 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.115 ( 16.559 0.000 11.614) 20.226 1.172 ( 16.251 0.000 12.232) 20.340 2.185 ( 23.621 0.000 18.555) 30.037 2.537 ( 2.899 -0.000 0.356) 2.921 2.647 ( -7.177 -0.000 -5.229) 8.880 2.908 ( -24.362 0.000 -5.489) 24.973 2.975 ( -8.845 0.000 3.232) 9.417 3.217 ( -13.861 0.000 -0.463) 13.868 3.319 ( -14.727 0.000 2.484) 14.935 3.418 ( -18.769 0.000 7.232) 20.114 3.718 ( -5.991 -0.000 -6.119) 8.563 3.804 ( 0.599 -0.000 -6.398) 6.426 3.961 ( 3.683 -0.000 -8.395) 9.167 3.962 ( -2.256 -0.000 -5.747) 6.174 4.911 ( 5.301 -0.000 -0.592) 5.334 5.190 ( 12.236 0.000 6.268) 13.748 5.464 ( 11.294 -0.000 -5.994) 12.786 5.629 ( 10.656 -0.000 0.058) 10.657 5.846 ( 6.438 -0.000 -5.983) 8.789 5.988 ( 2.772 -0.000 -5.994) 6.604 6.042 ( -1.356 -0.000 -2.588) 2.922 6.280 ( -0.054 -0.000 -4.802) 4.802 7.045 ( 2.021 0.000 4.797) 5.205 7.377 ( 1.488 0.000 1.105) 1.854 7.754 ( -18.349 0.000 24.863) 30.900 7.837 ( -0.960 0.000 7.230) 7.293 8.302 ( 0.869 0.000 5.141) 5.214 9.360 ( 2.954 -0.000 -11.234) 11.616 9.396 ( 0.309 -0.000 -1.770) 1.797 9.519 ( 2.119 -0.000 -6.534) 6.869 ======================= Grid point 11 (12/135) ======================= q-point: ( 0.58 -0.14 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.731 ( 1.026 -0.095 4.470) 4.587 1.774 ( -1.256 1.846 1.372) 2.621 2.372 ( 5.168 1.457 2.642) 5.984 2.407 ( 0.921 -4.211 -6.611) 7.893 2.570 ( -2.009 -2.725 14.451) 14.843 2.869 ( 3.729 1.531 -8.882) 9.754 3.243 ( 7.016 -3.908 8.816) 11.926 3.314 ( 11.382 0.311 5.273) 12.548 3.385 ( 7.488 1.628 -0.891) 7.715 3.472 ( 8.591 0.928 -7.877) 11.693 3.650 ( 0.488 -2.349 -2.080) 3.175 3.781 ( 0.818 6.300 -5.191) 8.204 4.030 ( 5.728 -6.301 -1.420) 8.633 4.144 ( 6.507 5.959 -1.318) 8.921 4.936 ( -10.877 -5.981 -1.060) 12.458 5.007 ( -9.531 4.431 1.485) 10.615 5.149 ( -8.518 0.236 0.478) 8.534 5.195 ( -8.449 2.181 -2.082) 8.971 5.714 ( -2.224 -0.499 0.731) 2.394 5.777 ( -1.425 1.987 -3.123) 3.967 6.007 ( -2.226 -4.298 1.063) 4.955 6.047 ( -2.475 0.006 0.536) 2.533 7.189 ( -1.940 1.755 5.096) 5.728 7.213 ( -1.648 -2.924 -2.330) 4.087 7.976 ( 2.051 -1.699 7.387) 7.853 8.098 ( 1.035 5.581 1.206) 5.803 8.835 ( 0.021 -5.853 4.122) 7.159 9.028 ( 3.568 2.795 -6.294) 7.756 9.289 ( 0.178 -3.279 1.221) 3.504 9.403 ( -0.549 2.837 -3.794) 4.769 ======================= Grid point 12 (13/135) ======================= q-point: ( 0.18 -0.52 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.796 ( 6.609 -0.045 -9.892) 11.897 1.913 ( -8.150 -1.731 -5.811) 10.158 2.075 ( 3.088 0.361 -0.339) 3.127 2.144 ( -2.637 2.622 -2.951) 4.747 2.477 ( 4.139 -0.121 8.861) 9.781 2.567 ( 1.008 3.388 6.976) 7.821 2.749 ( 4.685 -0.111 -4.338) 6.386 2.846 ( 5.895 -3.337 -1.643) 6.971 3.124 ( -3.705 -8.613 -3.868) 10.143 3.254 ( -4.302 -0.459 5.822) 7.253 3.660 ( -3.853 -0.979 -0.023) 3.976 3.770 ( 1.403 1.632 4.073) 4.606 3.837 ( -1.970 5.263 3.947) 6.867 3.986 ( -2.770 7.115 7.295) 10.560 5.115 ( -4.111 -0.254 -2.942) 5.062 5.374 ( 2.566 -0.999 1.038) 2.942 5.563 ( 2.055 -7.045 -3.519) 8.139 5.828 ( 0.414 5.255 -0.549) 5.300 5.867 ( -0.729 -5.121 2.079) 5.575 6.004 ( -0.757 -1.562 3.157) 3.602 6.078 ( -0.461 4.604 3.285) 5.675 6.107 ( 3.711 -0.219 3.488) 5.098 7.273 ( -1.377 0.068 -5.473) 5.644 7.387 ( 2.544 0.748 -0.177) 2.658 7.625 ( 5.450 -1.439 -18.604) 19.439 7.980 ( -1.350 -0.452 -5.482) 5.664 8.575 ( -5.714 -1.142 -8.556) 10.352 9.059 ( 4.798 0.387 8.041) 9.372 9.341 ( 0.033 -0.866 4.858) 4.934 9.500 ( -1.950 2.668 8.833) 9.431 ======================= Grid point 13 (14/135) ======================= q-point: (-0.22 0.11 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.627 ( 8.293 -11.274 -11.780) 18.294 0.791 ( 13.840 -13.949 -11.558) 22.797 1.387 ( 27.519 -20.272 -17.616) 38.452 2.444 ( 1.987 1.787 -2.292) 3.520 2.800 ( -6.485 3.232 -0.289) 7.252 3.040 ( -10.559 3.501 -12.899) 17.033 3.129 ( -8.156 19.123 -5.101) 21.406 3.372 ( -8.089 0.036 3.851) 8.959 3.658 ( -14.779 -2.184 1.973) 15.069 3.691 ( -16.673 5.776 -1.665) 17.723 3.904 ( 4.584 -0.313 3.869) 6.007 3.989 ( -8.517 1.917 3.035) 9.242 4.125 ( -6.558 -5.337 3.530) 9.162 4.145 ( -8.028 -4.103 3.419) 9.642 4.767 ( 10.256 -0.478 -3.470) 10.837 4.882 ( 8.983 -7.545 -2.459) 11.986 5.240 ( 22.611 5.286 3.675) 23.510 5.335 ( 21.224 4.618 8.412) 23.292 5.886 ( 0.266 2.405 7.109) 7.509 6.040 ( -1.912 0.906 5.233) 5.645 6.181 ( 0.624 -3.687 5.119) 6.340 6.301 ( 3.061 3.253 2.881) 5.316 6.928 ( -0.603 3.298 -3.607) 4.924 7.278 ( -3.060 9.215 -13.975) 17.017 7.363 ( -8.350 11.657 -24.747) 28.601 7.747 ( -0.671 -1.335 -4.792) 5.020 8.361 ( -6.215 -8.333 -4.255) 11.233 9.383 ( -0.010 2.113 -0.237) 2.126 9.440 ( 0.299 1.052 7.706) 7.783 9.715 ( 5.599 -7.954 10.952) 14.648 ======================= Grid point 14 (15/135) ======================= q-point: ( 0.38 -0.27 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.031 ( -11.716 8.540 2.995) 14.804 1.275 ( -13.429 9.251 7.553) 17.971 2.096 ( -15.238 2.964 5.496) 16.468 2.439 ( -3.079 -4.460 6.999) 8.852 2.519 ( 12.851 -5.230 1.642) 13.971 2.644 ( 11.948 -5.172 6.455) 14.531 2.992 ( 3.019 -0.388 -4.766) 5.655 3.162 ( 11.445 -2.747 -5.076) 12.818 3.334 ( 12.170 -0.135 1.879) 12.315 3.383 ( 7.803 8.394 1.806) 11.602 3.885 ( 0.051 -3.143 -4.978) 5.887 3.892 ( 0.957 -3.556 -2.112) 4.245 4.092 ( 8.384 9.387 -2.673) 12.866 4.220 ( -3.189 3.058 -4.612) 6.386 4.919 ( -5.345 1.371 1.818) 5.810 5.085 ( -2.056 -3.644 2.945) 5.117 5.517 ( -12.142 5.082 -2.456) 13.389 5.612 ( -12.430 -6.804 -3.193) 14.526 5.828 ( 0.262 -0.623 -4.920) 4.967 6.030 ( -5.530 -2.186 -4.430) 7.415 6.186 ( -0.390 -5.067 -3.445) 6.140 6.354 ( -3.494 0.782 -8.155) 8.907 6.848 ( -0.105 -4.288 8.818) 9.806 7.014 ( 3.544 -3.219 22.795) 23.292 7.325 ( -2.351 -1.854 1.403) 3.306 7.759 ( 1.328 1.900 3.942) 4.573 8.386 ( 6.249 7.385 4.528) 10.681 9.291 ( -0.560 -5.657 -2.505) 6.212 9.460 ( -2.221 -0.112 -3.243) 3.932 9.849 ( -0.528 2.026 -6.299) 6.638 ======================= Grid point 15 (16/135) ======================= q-point: (-0.02 0.35 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.648 ( 15.634 0.000 10.574) 18.875 1.681 ( 12.835 0.000 10.951) 16.871 2.287 ( -19.727 0.000 -5.465) 20.470 2.347 ( -11.483 -0.000 -6.239) 13.068 2.560 ( -4.077 -0.000 -2.348) 4.704 2.594 ( -2.157 -0.000 -3.016) 3.708 2.878 ( -6.902 0.000 1.913) 7.162 3.007 ( -6.456 0.000 -2.402) 6.888 3.155 ( 0.426 0.000 4.018) 4.040 3.286 ( -9.490 0.000 8.923) 13.026 3.620 ( -0.192 0.000 1.640) 1.651 3.693 ( 2.599 -0.000 -7.922) 8.338 3.821 ( -1.687 -0.000 -4.750) 5.041 3.865 ( 1.690 -0.000 -7.069) 7.268 5.009 ( 5.904 -0.000 0.698) 5.945 5.388 ( 2.398 -0.000 -1.428) 2.791 5.622 ( 7.163 -0.000 1.738) 7.371 5.737 ( 0.607 0.000 3.225) 3.281 5.914 ( 7.035 -0.000 -3.790) 7.991 5.961 ( 4.927 -0.000 -4.680) 6.795 5.979 ( -1.080 -0.000 -1.772) 2.075 6.165 ( -2.233 -0.000 -4.420) 4.952 7.205 ( 4.336 0.000 4.535) 6.274 7.407 ( 0.156 0.000 0.099) 0.184 7.848 ( -12.741 0.000 17.473) 21.625 7.955 ( 0.492 0.000 5.189) 5.213 8.477 ( 4.246 0.000 7.783) 8.866 9.162 ( -3.759 -0.000 -8.397) 9.200 9.346 ( 0.296 -0.000 -3.872) 3.883 9.419 ( 2.223 -0.000 -7.956) 8.261 ======================= Grid point 16 (17/135) ======================= q-point: (-0.42 -0.02 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 207 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.633 ( -0.000 -9.664 -9.517) 13.563 1.737 ( -0.000 -3.340 -7.396) 8.115 2.385 ( 0.000 -2.646 3.535) 4.416 2.482 ( -0.000 2.956 -3.244) 4.388 2.648 ( -0.000 7.770 -10.946) 13.424 2.909 ( 0.000 1.094 17.642) 17.676 3.290 ( -0.000 -9.047 -9.020) 12.775 3.379 ( -0.000 5.120 -4.913) 7.096 3.486 ( 0.000 -0.367 4.167) 4.183 3.610 ( 0.000 1.763 7.305) 7.515 3.663 ( -0.000 2.130 -1.914) 2.863 3.774 ( 0.000 0.972 6.296) 6.370 4.158 ( 0.000 -3.864 3.350) 5.114 4.214 ( 0.000 5.641 0.343) 5.651 4.829 ( 0.000 -2.379 1.484) 2.804 4.838 ( -0.000 2.416 -2.159) 3.240 5.028 ( -0.000 -4.900 -1.925) 5.264 5.100 ( -0.000 1.339 -1.492) 2.005 5.703 ( -0.000 0.608 -1.701) 1.807 5.738 ( 0.000 -1.272 3.635) 3.852 6.005 ( 0.000 -1.373 1.271) 1.871 6.047 ( 0.000 2.995 1.826) 3.508 7.137 ( -0.000 -1.858 -3.822) 4.250 7.251 ( 0.000 2.766 3.077) 4.137 8.056 ( -0.000 -0.478 -0.684) 0.834 8.070 ( -0.000 7.161 -5.393) 8.965 8.909 ( -0.000 1.784 -7.562) 7.770 8.969 ( 0.000 -7.931 8.648) 11.735 9.320 ( 0.000 -3.703 2.675) 4.568 9.381 ( 0.000 4.813 -0.372) 4.827 ======================= Grid point 17 (18/135) ======================= q-point: ( 0.18 -0.40 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.418 ( -16.757 -2.186 -8.375) 18.861 1.568 ( -14.384 5.318 -7.923) 17.261 2.301 ( 23.231 -4.370 -1.214) 23.670 2.381 ( 12.600 -1.005 -1.893) 12.781 2.563 ( -2.970 -2.120 -0.766) 3.728 2.647 ( -7.909 1.387 0.521) 8.046 2.842 ( 7.852 -1.529 -0.477) 8.013 2.992 ( 5.832 -3.404 2.590) 7.232 3.052 ( 13.371 -3.492 -4.075) 14.408 3.228 ( -3.265 8.255 0.154) 8.879 3.651 ( 3.133 2.639 3.114) 5.146 3.886 ( 1.210 -2.124 4.736) 5.330 3.895 ( -1.631 4.443 5.667) 7.383 4.086 ( -2.974 4.404 8.357) 9.904 5.010 ( -4.056 0.041 -0.015) 4.056 5.313 ( -2.110 -5.437 -6.096) 8.436 5.560 ( -2.999 -2.759 2.862) 4.980 5.775 ( -2.106 4.440 -0.264) 4.921 5.871 ( -6.232 -6.239 4.157) 9.749 6.041 ( -3.504 -1.530 5.227) 6.476 6.132 ( -1.283 4.100 3.883) 5.791 6.256 ( 1.294 -0.647 6.058) 6.229 7.089 ( -3.093 -0.451 -7.659) 8.272 7.387 ( 2.823 -2.618 -9.904) 10.626 7.406 ( 7.128 -1.746 -13.918) 15.734 7.841 ( 0.048 0.738 -7.333) 7.370 8.353 ( -1.051 1.844 -7.004) 7.319 9.277 ( 2.650 -2.627 6.318) 7.338 9.430 ( -1.809 -1.373 5.735) 6.168 9.631 ( -1.203 4.913 8.103) 9.552 ======================= Grid point 18 (19/135) ======================= q-point: (-0.23 0.23 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.896 ( 17.828 -3.164 0.000) 18.106 1.050 ( 21.251 -6.274 0.000) 22.158 1.839 ( 33.075 -13.476 0.000) 35.715 2.416 ( -2.936 2.817 -0.000) 4.068 2.524 ( -2.024 -0.723 0.000) 2.149 2.799 ( -21.166 15.333 -0.000) 26.136 3.055 ( 2.970 0.064 0.000) 2.971 3.224 ( -21.340 -1.523 -0.000) 21.394 3.243 ( -7.723 -1.730 0.000) 7.914 3.324 ( -16.887 -1.259 -0.000) 16.934 3.929 ( -9.387 -3.756 0.000) 10.110 3.984 ( 1.501 -1.312 0.000) 1.994 4.036 ( 0.272 5.124 -0.000) 5.131 4.219 ( 4.239 -3.376 0.000) 5.418 4.886 ( 5.270 -0.034 0.000) 5.270 5.051 ( 9.342 -3.967 0.000) 10.149 5.593 ( 7.174 6.116 -0.000) 9.427 5.769 ( 13.758 11.630 -0.000) 18.015 5.974 ( -5.829 4.122 -0.000) 7.139 6.126 ( 4.623 1.401 -0.000) 4.830 6.367 ( 0.316 5.002 -0.000) 5.012 6.476 ( -0.144 -9.731 0.000) 9.732 6.499 ( 1.439 -1.857 0.000) 2.349 6.875 ( -1.608 3.943 -0.000) 4.258 7.333 ( 2.213 0.672 -0.000) 2.312 7.680 ( -1.136 -1.784 0.000) 2.115 8.235 ( -3.036 -4.217 0.000) 5.196 9.394 ( 0.671 2.921 -0.000) 2.997 9.537 ( 2.567 4.919 -0.000) 5.548 9.842 ( -1.986 -6.964 0.000) 7.242 ======================= Grid point 19 (20/135) ======================= q-point: ( 0.37 -0.15 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.120 ( 4.286 11.393 15.080) 19.380 1.279 ( -6.523 13.309 12.270) 19.241 1.963 ( -14.545 6.955 13.159) 20.811 2.516 ( -1.030 0.657 5.618) 5.750 2.675 ( 2.159 -0.764 -6.262) 6.668 2.952 ( 5.758 -13.936 8.356) 17.239 3.168 ( 10.669 -5.136 8.044) 14.315 3.238 ( 8.806 -1.112 -7.263) 11.469 3.491 ( 3.209 -4.284 -8.066) 9.681 3.614 ( 11.790 -3.100 -0.055) 12.191 3.855 ( 8.027 -1.102 -4.281) 9.164 3.905 ( 2.052 0.023 -2.265) 3.057 4.099 ( 3.744 3.831 -3.227) 6.254 4.239 ( 12.404 7.260 -4.970) 15.208 4.852 ( -5.706 2.400 2.775) 6.784 5.034 ( -7.618 1.187 2.924) 8.246 5.100 ( -20.123 -0.221 -2.602) 20.291 5.265 ( -15.479 1.223 -2.857) 15.788 5.747 ( 0.167 -0.146 -3.675) 3.682 5.920 ( 1.536 -0.760 -5.127) 5.406 6.110 ( -1.035 -2.651 -3.257) 4.325 6.164 ( -3.800 -3.741 -3.660) 6.468 6.965 ( -1.179 -2.354 6.024) 6.574 7.290 ( -1.200 -2.760 1.677) 3.445 7.567 ( 3.945 -11.191 19.628) 22.936 7.873 ( 0.614 1.352 5.799) 5.986 8.609 ( 4.135 6.078 6.506) 9.817 9.274 ( 5.978 -2.003 -5.737) 8.524 9.355 ( -1.273 0.017 -2.802) 3.078 9.620 ( -6.566 2.427 -8.482) 10.998 ======================= Grid point 20 (21/135) ======================= q-point: (-0.03 0.47 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 219 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.971 ( -7.211 0.000 6.548) 9.740 2.002 ( -4.300 0.000 1.767) 4.649 2.128 ( 13.704 -0.000 2.820) 13.992 2.147 ( 5.684 0.000 4.505) 7.253 2.326 ( -3.870 -0.000 -8.961) 9.761 2.342 ( -5.840 -0.000 -7.816) 9.757 2.833 ( -2.033 0.000 3.756) 4.271 2.884 ( -1.464 -0.000 -1.385) 2.015 3.277 ( 3.966 0.000 1.745) 4.333 3.283 ( -3.793 0.000 2.002) 4.289 3.666 ( 4.742 -0.000 -1.979) 5.138 3.675 ( -0.873 -0.000 -1.600) 1.823 3.731 ( 1.195 -0.000 -0.271) 1.225 3.770 ( -0.140 -0.000 -4.350) 4.352 5.183 ( 5.681 0.000 4.370) 7.167 5.281 ( -4.837 -0.000 -5.664) 7.448 5.761 ( 1.774 0.000 2.795) 3.310 5.772 ( -2.649 0.000 1.231) 2.921 5.920 ( -3.049 0.000 -0.335) 3.067 5.955 ( 2.711 -0.000 -3.231) 4.218 5.991 ( 2.636 0.000 1.564) 3.065 6.039 ( -3.096 -0.000 -3.109) 4.388 7.347 ( 2.525 0.000 2.505) 3.556 7.376 ( -2.921 0.000 -0.703) 3.004 7.933 ( -6.152 0.000 10.931) 12.543 8.042 ( 3.969 -0.000 -0.681) 4.027 8.746 ( 6.642 0.000 8.237) 10.581 8.902 ( -6.249 -0.000 -8.170) 10.286 9.285 ( -0.935 -0.000 -1.034) 1.394 9.327 ( 2.013 -0.000 -5.373) 5.738 ======================= Grid point 21 (22/135) ======================= q-point: (-0.43 0.10 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.404 ( -3.686 -9.556 -13.729) 17.129 1.525 ( 4.229 -9.215 -13.658) 17.010 2.256 ( 8.098 2.049 -15.911) 17.971 2.503 ( -1.428 0.929 7.508) 7.699 2.608 ( 0.201 -0.660 -0.212) 0.722 3.071 ( -7.801 3.947 7.862) 11.758 3.117 ( -8.160 4.431 -7.181) 11.738 3.283 ( -8.951 4.435 -1.471) 10.097 3.370 ( -3.874 1.330 2.041) 4.576 3.584 ( -10.236 2.544 3.394) 11.080 3.755 ( -2.299 0.963 5.186) 5.754 3.829 ( -4.827 -1.490 5.733) 7.641 4.056 ( -7.089 -5.559 1.635) 9.155 4.158 ( -9.563 -0.739 3.016) 10.054 4.888 ( 4.159 -4.110 -1.232) 5.976 5.061 ( 16.849 3.337 0.916) 17.200 5.096 ( 11.762 -1.430 -2.555) 12.121 5.212 ( 10.938 -0.750 2.466) 11.237 5.708 ( 1.189 -0.082 0.436) 1.269 5.825 ( 0.263 -0.458 4.588) 4.619 6.057 ( 1.683 0.208 2.187) 2.767 6.111 ( 2.374 4.252 2.260) 5.368 7.072 ( 1.925 -0.016 -5.045) 5.400 7.299 ( 1.248 2.875 0.641) 3.199 7.875 ( -2.927 9.390 -12.712) 16.073 7.983 ( -0.692 -0.565 -5.193) 5.270 8.741 ( -3.305 -3.732 -7.076) 8.656 9.124 ( -2.483 -2.593 8.610) 9.329 9.328 ( -1.040 2.222 0.661) 2.541 9.475 ( 3.930 -2.006 6.667) 7.994 ======================= Grid point 22 (23/135) ======================= q-point: ( 0.17 -0.28 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.934 ( -18.947 1.607 -4.511) 19.543 1.111 ( -17.676 8.647 -6.521) 20.730 1.957 ( -28.893 9.615 -11.402) 32.516 2.497 ( -2.263 -2.628 -4.012) 5.303 2.573 ( 11.304 -1.241 -5.822) 12.775 2.835 ( 21.713 -12.501 -3.498) 25.298 2.997 ( 1.073 -0.128 4.686) 4.809 3.193 ( 10.639 -1.564 2.328) 11.003 3.274 ( 14.548 3.460 -2.137) 15.105 3.349 ( 17.008 0.224 -1.987) 17.126 3.874 ( 8.593 3.354 5.368) 10.673 3.949 ( -1.355 1.635 3.563) 4.148 3.997 ( 0.574 -2.802 3.478) 4.503 4.159 ( -3.390 3.439 5.665) 7.443 4.905 ( -5.477 0.264 -1.422) 5.665 5.098 ( -9.341 2.455 -4.592) 10.694 5.540 ( -7.790 -6.876 6.020) 12.009 5.700 ( -15.681 -2.005 4.743) 16.505 5.864 ( 1.816 -4.379 6.977) 8.435 6.066 ( -3.974 -1.612 4.711) 6.370 6.193 ( -0.670 4.375 5.302) 6.906 6.358 ( -2.424 -1.229 4.951) 5.648 6.917 ( 0.407 -3.076 -6.994) 7.651 7.098 ( 9.564 -5.738 -30.454) 32.432 7.347 ( -1.777 -0.639 -1.531) 2.431 7.729 ( 1.005 1.381 -4.932) 5.220 8.271 ( 2.982 4.908 -3.763) 6.866 9.380 ( 0.113 -3.763 1.626) 4.101 9.485 ( -3.003 -3.355 5.134) 6.829 9.763 ( -0.241 7.475 7.285) 10.441 ======================= Grid point 23 (24/135) ======================= q-point: (-0.23 0.34 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.277 ( 15.149 0.291 5.952) 16.279 1.466 ( 17.481 -4.242 2.971) 18.232 2.272 ( -24.105 5.919 1.203) 24.850 2.319 ( -8.042 0.927 3.152) 8.687 2.511 ( 9.531 2.458 4.786) 10.945 2.582 ( 5.645 0.143 4.593) 7.279 2.897 ( -6.600 -0.181 -4.663) 8.083 3.016 ( -12.971 -1.194 -0.098) 13.026 3.048 ( -3.585 0.879 -2.237) 4.316 3.196 ( 2.347 -7.559 2.933) 8.441 3.728 ( -5.764 -3.070 -3.966) 7.640 3.965 ( -2.441 2.162 -3.487) 4.774 3.993 ( 2.922 -2.206 -3.958) 5.392 4.239 ( 3.841 -1.991 -6.858) 8.109 4.995 ( 3.550 -0.191 1.725) 3.951 5.206 ( 1.857 6.420 4.281) 7.936 5.620 ( 1.477 3.893 -2.786) 5.010 5.817 ( -0.488 -3.249 -4.787) 5.806 5.945 ( 6.876 6.157 -3.579) 9.899 6.132 ( 1.152 0.452 -3.826) 4.021 6.219 ( 2.161 -2.172 -5.729) 6.497 6.390 ( 0.782 -0.715 -7.468) 7.542 6.898 ( -2.932 1.549 19.064) 19.350 6.957 ( -3.545 0.744 14.826) 15.262 7.377 ( 0.760 -0.065 0.902) 1.181 7.716 ( -0.034 -0.847 5.109) 5.179 8.245 ( 0.452 -1.234 4.115) 4.319 9.364 ( -1.971 1.767 -2.880) 3.912 9.537 ( 2.018 3.321 -4.672) 6.077 9.760 ( 0.202 -5.428 -5.135) 7.475 ======================= Grid point 24 (25/135) ======================= q-point: ( 0.37 -0.03 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.435 ( 0.000 14.201 10.744) 17.807 1.511 ( 0.000 7.831 14.856) 16.794 2.156 ( 0.000 -1.117 22.265) 22.293 2.520 ( -0.000 1.134 -9.058) 9.129 2.598 ( 0.000 0.468 2.470) 2.514 3.131 ( -0.000 -10.555 -0.400) 10.563 3.230 ( -0.000 4.212 -2.699) 5.003 3.313 ( -0.000 -5.458 -4.275) 6.933 3.455 ( 0.000 -5.685 5.978) 8.249 3.714 ( -0.000 -2.016 -4.919) 5.316 3.768 ( -0.000 -0.487 -8.935) 8.949 3.867 ( -0.000 1.351 -2.494) 2.837 4.222 ( -0.000 2.739 -3.176) 4.194 4.276 ( -0.000 -2.550 -6.038) 6.555 4.781 ( 0.000 -2.416 3.942) 4.623 4.858 ( 0.000 3.349 -1.699) 3.755 4.996 ( 0.000 5.214 1.181) 5.346 5.061 ( 0.000 2.038 2.461) 3.195 5.700 ( -0.000 -0.489 -1.358) 1.444 5.828 ( -0.000 1.585 -5.767) 5.981 6.035 ( -0.000 -0.541 -2.058) 2.128 6.084 ( -0.000 -5.562 -1.943) 5.891 7.054 ( 0.000 -0.067 4.863) 4.863 7.287 ( -0.000 -2.943 -0.713) 3.029 7.904 ( 0.000 -9.993 12.003) 15.619 7.991 ( 0.000 0.746 5.354) 5.406 8.773 ( 0.000 0.715 6.858) 6.896 9.157 ( -0.000 7.788 -10.861) 13.365 9.378 ( -0.000 -4.116 -0.128) 4.118 9.389 ( -0.000 1.711 -4.301) 4.628 ======================= Grid point 25 (26/135) ======================= q-point: (-0.03 -0.41 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.860 ( -12.821 -0.000 -6.373) 14.318 1.861 ( -10.743 -0.000 -10.091) 14.739 2.170 ( 12.101 0.000 4.775) 13.009 2.193 ( 4.873 0.000 7.738) 9.145 2.504 ( 8.921 -0.000 3.313) 9.516 2.545 ( 15.346 -0.000 2.080) 15.486 2.905 ( 5.544 -0.000 -0.701) 5.588 2.942 ( 4.594 0.000 4.649) 6.536 3.222 ( -1.088 -0.000 -2.391) 2.627 3.408 ( 8.075 -0.000 -0.459) 8.088 3.583 ( -2.079 0.000 -0.545) 2.150 3.679 ( -1.244 -0.000 -3.782) 3.982 3.753 ( 3.471 0.000 1.544) 3.799 3.792 ( 1.911 0.000 1.189) 2.250 5.049 ( -7.601 -0.000 -3.680) 8.445 5.335 ( 0.556 0.000 3.610) 3.652 5.655 ( -8.527 0.000 -1.513) 8.660 5.777 ( -4.303 0.000 1.258) 4.483 5.848 ( -5.850 0.000 1.806) 6.122 5.923 ( -4.205 0.000 -1.077) 4.341 5.959 ( 0.651 0.000 0.445) 0.789 6.089 ( 1.954 0.000 3.626) 4.119 7.267 ( -4.964 -0.000 -2.179) 5.421 7.396 ( -0.856 0.000 1.395) 1.636 7.996 ( -0.520 0.000 1.678) 1.757 8.092 ( 9.473 -0.000 -7.716) 12.218 8.628 ( -5.172 -0.000 -7.999) 9.525 9.010 ( 4.109 0.000 7.292) 8.370 9.293 ( -1.439 0.000 4.463) 4.689 9.309 ( 1.721 -0.000 -0.308) 1.749 ======================= Grid point 26 (27/135) ======================= q-point: (-0.44 0.21 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.155 ( 8.325 -6.225 -9.971) 14.404 1.448 ( 10.108 -8.820 -10.200) 16.852 2.243 ( 12.557 1.658 -9.369) 15.754 2.540 ( -3.450 3.407 -3.510) 5.986 2.560 ( -5.756 2.914 0.901) 6.515 2.744 ( -15.246 4.325 -3.967) 16.337 2.958 ( -9.739 1.603 -2.725) 10.239 3.047 ( -8.003 5.856 6.434) 11.821 3.352 ( -14.998 -0.228 -0.089) 15.000 3.380 ( -4.085 -5.028 2.790) 7.053 3.791 ( -1.196 0.231 4.219) 4.392 3.830 ( -2.773 -0.205 4.485) 5.277 4.026 ( -6.350 -6.033 3.764) 9.534 4.126 ( 2.296 -4.736 4.721) 7.070 4.945 ( 4.117 -2.251 -0.942) 4.785 5.164 ( 4.391 4.318 -5.094) 7.992 5.464 ( 11.252 -6.213 3.053) 13.211 5.527 ( 12.597 8.264 5.135) 15.917 5.765 ( 3.623 -1.925 1.386) 4.331 5.941 ( 3.352 1.241 4.797) 5.982 6.130 ( 1.070 3.006 2.415) 4.002 6.227 ( 2.208 1.385 5.241) 5.853 7.006 ( 2.963 1.872 -7.650) 8.415 7.323 ( 1.860 2.876 -2.756) 4.396 7.467 ( -5.698 6.923 -18.678) 20.719 7.858 ( -0.709 -0.868 -6.091) 6.194 8.503 ( -5.880 -7.253 -7.364) 11.891 9.215 ( -0.533 4.929 5.498) 7.403 9.386 ( 1.707 0.013 3.976) 4.327 9.698 ( 1.619 -3.163 8.941) 9.621 ======================= Grid point 27 (28/135) ======================= q-point: ( 0.16 -0.16 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.549 ( -14.969 12.683 -0.000) 19.619 0.633 ( -19.928 12.022 -0.000) 23.274 1.205 ( -29.525 29.413 -0.000) 41.676 2.393 ( -2.281 -5.340 0.000) 5.807 2.646 ( 7.502 3.335 -0.000) 8.210 2.970 ( -5.246 0.485 -0.000) 5.269 3.073 ( 7.972 -20.703 0.000) 22.185 3.412 ( 8.435 0.690 0.000) 8.463 3.653 ( 16.348 1.578 0.000) 16.424 3.686 ( 17.346 -1.660 0.000) 17.425 3.963 ( -6.186 -4.054 0.000) 7.396 4.008 ( 8.062 -1.666 0.000) 8.233 4.161 ( 14.203 7.207 -0.000) 15.927 4.182 ( 0.076 2.209 -0.000) 2.210 4.727 ( -12.929 1.265 -0.000) 12.991 4.860 ( -6.356 7.643 -0.000) 9.941 5.264 ( -23.511 -2.384 -0.000) 23.631 5.490 ( -21.072 -23.352 0.000) 31.454 5.990 ( -6.428 -4.638 0.000) 7.926 6.114 ( 6.503 -2.387 0.000) 6.927 6.327 ( -3.068 -4.117 0.000) 5.134 6.476 ( -0.869 1.698 -0.000) 1.908 6.533 ( 4.877 6.283 -0.000) 7.954 6.899 ( 0.838 -4.062 0.000) 4.148 7.294 ( -1.537 -1.029 0.000) 1.850 7.700 ( 0.798 2.145 -0.000) 2.288 8.320 ( 5.689 7.673 -0.000) 9.552 9.380 ( -0.546 -1.859 0.000) 1.938 9.511 ( 1.155 -3.694 0.000) 3.870 9.869 ( 0.083 4.304 -0.000) 4.305 ======================= Grid point 28 (29/135) ======================= q-point: (-0.24 0.46 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.618 ( -2.516 0.048 8.435) 8.802 1.809 ( 8.089 1.441 5.111) 9.676 2.005 ( -0.600 0.168 6.296) 6.327 2.138 ( -6.876 -0.933 -1.858) 7.184 2.566 ( -11.127 -1.467 2.094) 11.417 2.590 ( -0.489 -1.173 2.059) 2.420 2.779 ( -2.810 2.295 -6.628) 7.556 2.846 ( -4.457 -0.694 -2.257) 5.044 3.060 ( 8.813 7.848 1.434) 11.888 3.361 ( 7.371 -5.107 -3.924) 9.788 3.648 ( 3.551 -2.055 0.598) 4.146 3.850 ( -1.360 0.309 -3.957) 4.196 3.944 ( 2.503 -3.482 -6.633) 7.899 4.143 ( 2.856 -3.445 -8.710) 9.792 5.076 ( 2.568 0.887 1.487) 3.097 5.300 ( -3.018 9.419 6.509) 11.841 5.574 ( -1.289 2.075 -2.739) 3.670 5.797 ( -0.046 -6.958 1.115) 7.047 5.940 ( 1.194 3.885 -4.244) 5.876 6.061 ( -1.564 0.527 -2.565) 3.050 6.145 ( -1.110 -0.477 -4.095) 4.269 6.217 ( -2.305 -1.304 -7.819) 8.255 7.133 ( -0.709 -0.218 9.456) 9.486 7.229 ( -4.544 0.438 21.554) 22.032 7.380 ( -2.162 -1.042 0.885) 2.558 7.853 ( 1.276 0.150 7.106) 7.222 8.419 ( 5.650 1.427 7.573) 9.556 9.199 ( -5.095 -0.702 -6.364) 8.182 9.452 ( 0.316 1.733 -6.226) 6.470 9.663 ( 2.030 -2.800 -7.801) 8.534 ======================= Grid point 29 (30/135) ======================= q-point: ( 0.36 0.08 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.636 ( 0.007 7.798 10.367) 12.973 1.749 ( 1.950 3.075 7.489) 8.328 2.345 ( -3.245 1.266 -2.575) 4.331 2.474 ( -1.757 -2.558 -3.894) 4.980 2.648 ( -0.024 -5.844 10.498) 12.015 2.872 ( -3.317 -1.287 -13.378) 13.843 3.244 ( -6.423 6.390 7.874) 12.003 3.336 ( -5.792 -4.135 3.068) 7.749 3.362 ( -9.891 -1.064 -0.125) 9.948 3.474 ( -10.065 -1.467 -7.713) 12.765 3.683 ( -0.787 1.840 -3.238) 3.807 3.733 ( -2.462 -3.624 -1.740) 4.715 4.031 ( -7.625 6.152 -0.930) 9.841 4.130 ( -6.890 -4.008 -0.099) 7.971 4.910 ( 6.025 5.538 1.315) 8.289 5.039 ( 15.791 -4.500 -1.473) 16.486 5.139 ( 10.714 0.904 1.690) 10.884 5.180 ( 6.768 -0.813 -0.665) 6.849 5.724 ( 2.220 -0.676 1.775) 2.921 5.752 ( 1.416 0.792 -2.777) 3.216 6.026 ( 1.958 1.903 -1.148) 2.962 6.072 ( 2.106 -2.473 -1.820) 3.723 7.156 ( 1.961 1.876 3.714) 4.600 7.265 ( 1.547 -2.695 -2.874) 4.233 8.038 ( -1.777 -0.021 1.430) 2.281 8.058 ( -1.150 -6.447 4.784) 8.109 8.864 ( -3.667 4.413 4.693) 7.413 8.980 ( 0.323 0.714 -4.982) 5.043 9.320 ( -0.009 1.768 -0.850) 1.962 9.379 ( -0.165 -1.990 -2.358) 3.090 ======================= Grid point 30 (31/135) ======================= q-point: (-0.04 -0.29 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 219 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.395 ( -9.034 -0.000 -16.496) 18.808 1.410 ( -14.031 -0.000 -12.308) 18.664 2.449 ( -1.902 0.000 6.401) 6.677 2.517 ( 1.562 0.000 3.247) 3.603 2.554 ( -5.283 -0.000 -12.468) 13.541 2.780 ( 17.625 0.000 6.949) 18.945 3.039 ( 12.340 -0.000 -2.442) 12.579 3.177 ( 11.186 -0.000 4.259) 11.969 3.336 ( 15.373 -0.000 1.354) 15.433 3.569 ( 17.852 -0.000 -7.745) 19.460 3.643 ( 1.771 0.000 1.480) 2.308 3.661 ( 0.238 0.000 8.752) 8.755 3.843 ( 0.046 0.000 2.536) 2.537 3.861 ( 2.177 0.000 4.216) 4.745 4.893 ( -5.662 0.000 0.790) 5.716 5.277 ( -9.221 0.000 -2.532) 9.562 5.415 ( -13.516 0.000 0.337) 13.521 5.624 ( -14.799 0.000 1.794) 14.908 5.766 ( -2.953 0.000 1.013) 3.122 5.881 ( -3.614 0.000 4.889) 6.080 5.996 ( 0.710 0.000 2.143) 2.257 6.193 ( 0.673 0.000 4.321) 4.373 7.124 ( -3.563 -0.000 -3.366) 4.902 7.386 ( -1.587 0.000 0.331) 1.621 7.965 ( 1.343 -0.000 -5.468) 5.631 8.124 ( 14.997 -0.000 -14.160) 20.625 8.414 ( -2.365 -0.000 -6.424) 6.846 9.160 ( -4.416 0.000 8.860) 9.899 9.372 ( 2.986 -0.000 1.045) 3.164 9.384 ( -1.314 0.000 7.122) 7.242 ======================= Grid point 31 (32/135) ======================= q-point: (-0.44 0.33 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.287 ( 13.391 -1.484 -4.274) 14.135 1.553 ( 13.813 -4.978 -3.965) 15.209 2.155 ( -20.962 6.326 -2.156) 22.002 2.294 ( -4.556 2.100 -1.647) 5.279 2.442 ( 4.743 4.546 -5.857) 8.801 2.547 ( 2.711 3.088 -5.175) 6.608 2.895 ( -5.693 0.800 6.203) 8.457 3.010 ( -5.621 0.834 3.147) 6.496 3.097 ( -9.162 -4.686 4.525) 11.242 3.371 ( 4.327 -11.081 -4.640) 12.768 3.789 ( -5.289 -2.005 4.433) 7.187 3.924 ( 0.306 2.614 2.662) 3.743 4.021 ( 0.382 -2.403 2.621) 3.576 4.283 ( 2.784 -2.502 4.930) 6.190 4.997 ( 2.159 0.615 -0.726) 2.360 5.072 ( -2.118 6.215 -4.998) 8.252 5.588 ( -1.080 0.003 2.267) 2.511 5.805 ( 7.326 1.493 1.816) 7.694 5.924 ( 6.264 -0.915 2.899) 6.963 6.125 ( 2.788 0.015 5.158) 5.864 6.194 ( 0.590 4.574 3.667) 5.892 6.405 ( 1.683 -0.656 9.671) 9.838 6.855 ( 0.355 2.999 -14.370) 14.684 6.951 ( -2.528 0.034 -16.668) 16.858 7.371 ( 1.891 0.921 -0.799) 2.250 7.735 ( -0.908 -1.149 -4.674) 4.898 8.288 ( -3.197 -3.557 -4.584) 6.624 9.316 ( 1.174 3.417 3.422) 4.977 9.502 ( 1.718 0.672 3.568) 4.017 9.834 ( -1.232 -2.461 5.024) 5.728 ======================= Grid point 32 (33/135) ======================= q-point: ( 0.16 -0.04 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 207 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.633 ( 0.000 16.871 16.289) 23.451 0.639 ( 0.000 14.790 18.339) 23.560 1.020 ( 0.000 30.496 20.709) 36.863 2.425 ( 0.000 -1.083 1.809) 2.108 2.826 ( -0.000 -0.454 -5.974) 5.991 3.203 ( -0.000 -19.980 5.218) 20.650 3.276 ( 0.000 -22.503 20.962) 30.753 3.474 ( -0.000 -0.925 -3.983) 4.089 3.744 ( -0.000 -0.452 -5.172) 5.192 3.836 ( 0.000 3.987 -1.595) 4.294 3.921 ( -0.000 -8.482 -1.018) 8.543 4.116 ( -0.000 0.093 -6.669) 6.670 4.282 ( 0.000 4.307 -1.335) 4.509 4.285 ( 0.000 7.182 0.807) 7.227 4.623 ( 0.000 -2.538 4.851) 5.475 4.804 ( 0.000 5.084 0.440) 5.103 4.896 ( 0.000 3.955 0.586) 3.998 4.977 ( -0.000 0.879 -0.793) 1.184 5.879 ( -0.000 -3.959 -4.285) 5.834 6.080 ( -0.000 4.674 -10.205) 11.224 6.170 ( -0.000 0.225 -3.401) 3.408 6.263 ( -0.000 -4.195 -1.585) 4.484 6.935 ( 0.000 -3.320 2.624) 4.231 7.283 ( 0.000 -3.626 3.253) 4.871 7.508 ( 0.000 -33.082 35.131) 48.256 7.753 ( 0.000 1.431 4.508) 4.730 8.461 ( 0.000 4.081 4.750) 6.262 9.373 ( -0.000 0.188 -1.173) 1.188 9.522 ( -0.000 15.858 -18.640) 24.473 9.554 ( -0.000 -0.730 -2.937) 3.026 ======================= Grid point 33 (34/135) ======================= q-point: ( 0.75 -0.42 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.641 ( -5.661 4.016 8.677) 11.112 1.818 ( -6.388 -3.781 5.264) 9.100 2.244 ( 10.561 0.280 4.092) 11.330 2.329 ( 5.312 2.755 -4.500) 7.487 2.443 ( 4.775 -3.069 5.505) 7.907 2.552 ( 0.659 -6.577 -7.299) 9.847 2.711 ( -0.676 2.674 3.943) 4.812 2.780 ( 2.512 -1.614 3.965) 4.963 3.249 ( 7.773 5.444 -2.369) 9.781 3.333 ( 3.531 2.408 -4.088) 5.914 3.708 ( 0.000 2.051 -3.359) 3.936 3.813 ( 5.993 1.299 -3.459) 7.040 3.870 ( 2.419 -4.085 -5.418) 7.204 4.056 ( 4.250 -5.530 -7.256) 10.064 5.168 ( 0.589 2.029 2.390) 3.190 5.287 ( -5.851 -0.715 0.922) 5.966 5.465 ( -7.699 5.682 1.977) 9.770 5.764 ( -6.401 -4.097 -2.224) 7.919 5.859 ( -1.254 6.021 -1.998) 6.467 5.976 ( -3.306 0.528 -1.319) 3.599 6.016 ( -5.253 -1.647 -1.376) 5.675 6.084 ( -0.061 -4.350 -2.632) 5.085 7.235 ( -4.705 0.177 7.704) 9.029 7.316 ( -4.166 -1.605 -0.016) 4.465 7.594 ( 1.908 -0.898 17.225) 17.353 8.020 ( 2.541 2.256 6.330) 7.185 8.711 ( 7.422 3.256 7.433) 10.997 8.962 ( -4.482 -3.354 -7.099) 9.041 9.333 ( -0.772 0.710 -5.069) 5.177 9.537 ( 1.552 -1.611 -8.876) 9.153 ======================= Grid point 34 (35/135) ======================= q-point: (-0.65 0.20 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.718 ( 0.470 -2.978 -11.008) 11.413 1.822 ( 3.923 1.159 2.048) 4.575 2.277 ( -4.379 -0.510 -1.322) 4.602 2.369 ( -3.017 3.472 10.376) 11.350 2.593 ( -0.501 3.533 -9.260) 9.924 2.768 ( -6.258 -2.795 2.241) 7.211 2.986 ( -16.698 3.592 -8.193) 18.943 3.086 ( -9.023 4.519 -5.347) 11.421 3.206 ( -10.415 -3.354 6.596) 12.776 3.307 ( -8.450 -6.092 4.300) 11.270 3.649 ( 0.216 2.340 1.342) 2.706 3.743 ( -2.400 -5.297 3.746) 6.917 3.949 ( -2.069 5.917 0.972) 6.343 4.052 ( -2.785 -2.924 2.987) 5.023 5.102 ( 6.134 4.680 0.926) 7.771 5.199 ( 8.008 -6.000 0.046) 10.006 5.314 ( 8.929 2.667 -4.520) 10.357 5.440 ( 13.228 -3.026 3.544) 14.025 5.775 ( 3.460 0.034 -0.169) 3.465 5.820 ( 3.364 -1.969 1.876) 4.325 6.053 ( 1.986 3.771 -0.950) 4.367 6.092 ( 1.659 0.503 0.253) 1.752 7.248 ( 3.873 -1.624 -4.530) 6.177 7.265 ( 3.507 2.716 1.808) 4.790 7.927 ( -2.630 2.330 -8.510) 9.207 8.068 ( -1.899 -5.079 -0.710) 5.469 8.832 ( -0.505 3.066 -2.447) 3.955 8.940 ( -4.700 -1.604 2.964) 5.783 9.289 ( 0.189 2.021 -1.413) 2.473 9.407 ( -0.244 -1.229 6.519) 6.638 ======================= Grid point 35 (36/135) ======================= q-point: (-0.05 -0.17 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.861 ( -13.871 -0.000 -15.357) 20.694 0.909 ( -2.966 -0.000 -21.355) 21.560 1.722 ( -21.677 -0.000 -29.675) 36.749 2.476 ( -2.580 -0.000 -1.466) 2.967 2.690 ( -0.741 0.000 9.713) 9.742 3.237 ( 11.089 0.000 7.258) 13.253 3.293 ( 20.526 -0.000 -5.369) 21.217 3.524 ( 9.897 0.000 5.022) 11.099 3.546 ( 7.248 -0.000 -4.653) 8.613 3.730 ( 1.287 -0.000 0.455) 1.365 3.867 ( 8.470 0.000 7.999) 11.650 3.870 ( 16.310 -0.000 -1.514) 16.380 3.994 ( 0.635 0.000 6.302) 6.334 4.023 ( 14.380 -0.000 4.704) 15.130 4.813 ( -4.032 0.000 0.248) 4.040 4.901 ( -15.731 -0.000 -7.993) 17.645 5.179 ( -16.631 0.000 6.120) 17.722 5.264 ( -23.261 0.000 0.387) 23.264 5.806 ( 0.097 0.000 5.289) 5.290 5.941 ( -1.850 0.000 6.259) 6.526 6.071 ( 1.434 0.000 3.437) 3.724 6.269 ( -0.921 0.000 3.661) 3.775 7.017 ( -0.801 -0.000 -3.101) 3.203 7.350 ( -0.991 -0.000 -1.307) 1.640 7.859 ( 1.089 -0.000 -7.627) 7.704 8.174 ( 24.023 -0.000 -18.835) 30.527 8.293 ( -0.214 -0.000 -3.710) 3.716 9.184 ( -13.466 0.000 11.674) 17.821 9.421 ( 0.925 -0.000 -0.562) 1.082 9.487 ( -1.098 0.000 5.825) 5.928 ======================= Grid point 36 (37/135) ======================= q-point: (-0.45 0.45 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.448 ( 1.044 -0.436 0.000) 1.132 1.703 ( 2.039 -0.624 0.000) 2.132 1.781 ( -2.959 1.661 -0.000) 3.393 2.205 ( 0.464 0.293 -0.000) 0.549 2.471 ( -7.002 -0.681 -0.000) 7.035 2.500 ( -2.085 -0.613 0.000) 2.174 2.789 ( 1.811 1.815 -0.000) 2.564 3.026 ( 0.602 1.216 -0.000) 1.357 3.193 ( 0.600 -0.768 0.000) 0.974 3.397 ( 8.443 -5.088 0.000) 9.858 3.754 ( -1.547 -4.014 0.000) 4.302 3.930 ( -1.297 0.336 -0.000) 1.340 4.082 ( 1.841 2.192 -0.000) 2.863 4.372 ( 0.514 -0.169 0.000) 0.541 4.965 ( -1.685 7.162 -0.000) 7.357 5.013 ( 0.118 -0.575 0.000) 0.586 5.592 ( 0.183 1.945 -0.000) 1.953 5.898 ( 0.832 -0.740 0.000) 1.114 6.019 ( -0.643 0.382 -0.000) 0.748 6.154 ( -2.170 -2.378 0.000) 3.219 6.278 ( -1.869 1.736 -0.000) 2.551 6.618 ( 1.611 -3.593 0.000) 3.938 6.638 ( 0.487 -2.645 0.000) 2.690 6.714 ( -2.058 4.184 -0.000) 4.663 7.377 ( -0.803 -0.723 0.000) 1.081 7.682 ( 0.845 0.153 -0.000) 0.859 8.228 ( 1.909 0.830 -0.000) 2.082 9.348 ( -1.957 -0.767 0.000) 2.102 9.559 ( 0.143 1.356 -0.000) 1.363 9.868 ( 0.450 -1.360 0.000) 1.433 ======================= Grid point 37 (38/135) ======================= q-point: ( 0.15 0.07 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.934 ( 1.047 8.137 17.595) 19.413 1.041 ( 9.199 12.109 15.300) 21.571 1.806 ( 20.322 8.412 24.828) 33.169 2.489 ( 2.116 1.370 2.714) 3.704 2.687 ( -0.009 -0.395 -8.870) 8.878 3.189 ( -12.297 -7.606 0.028) 14.459 3.262 ( -16.423 -3.367 2.922) 17.017 3.310 ( -5.468 -11.322 2.892) 12.901 3.554 ( -6.978 -2.184 -8.157) 10.954 3.716 ( -14.377 -7.255 -0.248) 16.106 3.857 ( -0.044 4.801 -1.815) 5.133 3.895 ( -7.551 -1.682 -6.061) 9.828 4.043 ( -5.807 2.462 -4.791) 7.921 4.083 ( -13.826 8.660 -1.946) 16.430 4.818 ( 4.663 0.965 1.320) 4.942 4.959 ( 13.940 5.323 5.336) 15.847 5.142 ( 16.837 -3.291 -3.968) 17.609 5.266 ( 21.059 -0.208 -1.760) 21.134 5.774 ( -0.916 -2.548 -4.613) 5.349 5.932 ( 0.584 -0.676 -6.018) 6.084 6.101 ( 0.448 2.121 -3.877) 4.442 6.239 ( 1.457 -3.244 -3.384) 4.909 7.002 ( 0.918 -1.581 3.958) 4.360 7.334 ( 1.110 -1.827 1.347) 2.527 7.826 ( -6.386 -10.683 13.329) 18.236 7.888 ( -3.275 -9.334 12.007) 15.557 8.477 ( -7.233 8.990 7.552) 13.790 9.247 ( 4.339 4.372 -11.026) 12.630 9.385 ( -1.223 -2.669 -0.128) 2.939 9.547 ( 4.285 4.948 -7.156) 9.698 ======================= Grid point 38 (39/135) ======================= q-point: (-0.25 -0.30 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.733 ( -4.043 -0.761 2.621) 4.879 1.820 ( -1.876 0.836 0.938) 2.258 2.276 ( 4.583 -1.120 -1.206) 4.870 2.301 ( 3.685 -2.829 -6.334) 7.855 2.541 ( 1.524 -1.698 10.191) 10.443 2.846 ( 5.920 4.821 1.915) 7.871 2.930 ( 17.992 -2.150 6.768) 19.342 3.015 ( 8.558 -3.641 6.179) 11.166 3.274 ( 7.955 3.810 -6.110) 10.730 3.396 ( 3.568 2.437 -0.089) 4.322 3.640 ( 0.075 1.872 -2.902) 3.454 3.826 ( 1.645 -6.621 -2.071) 7.129 3.843 ( 5.575 5.536 -6.259) 10.046 4.056 ( 8.092 -2.351 -5.231) 9.918 5.000 ( -9.292 -4.719 -4.304) 11.276 5.270 ( -3.509 -0.917 2.360) 4.327 5.356 ( -11.699 7.876 5.393) 15.099 5.476 ( -14.432 0.736 -3.421) 14.850 5.786 ( -3.986 1.089 -1.249) 4.317 5.866 ( -2.876 3.021 -2.105) 4.672 5.970 ( -2.615 -4.909 1.799) 5.846 6.065 ( -1.003 -2.252 1.876) 3.098 7.221 ( -3.788 -1.918 -1.342) 4.453 7.272 ( -3.709 0.925 5.396) 6.613 7.911 ( 3.180 0.125 9.404) 9.928 8.180 ( 3.570 6.491 3.340) 8.126 8.736 ( -2.705 -5.801 -4.025) 7.561 8.977 ( 4.874 1.378 1.613) 5.316 9.258 ( -0.758 -1.136 -0.568) 1.479 9.418 ( 1.644 0.086 -5.402) 5.647 ======================= Grid point 39 (40/135) ======================= q-point: (-0.65 0.32 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.584 ( 9.567 -2.099 -9.538) 13.671 1.858 ( 6.743 0.304 -7.079) 9.781 2.247 ( -14.165 0.614 -3.527) 14.611 2.304 ( -5.886 0.247 6.359) 8.669 2.505 ( -1.277 3.404 -6.321) 7.292 2.649 ( -0.800 -2.093 0.840) 2.393 2.698 ( -3.442 7.400 4.364) 9.254 2.816 ( -4.783 2.632 -4.416) 7.021 3.128 ( -11.368 -6.952 1.504) 13.410 3.291 ( -2.035 -2.138 8.952) 9.426 3.677 ( -2.184 -1.773 2.261) 3.610 3.782 ( -0.830 -1.346 4.280) 4.562 3.945 ( -0.976 2.702 2.287) 3.672 4.121 ( -0.392 0.617 5.887) 5.932 5.113 ( 1.425 -3.974 -4.029) 5.835 5.300 ( 4.148 2.176 -9.376) 10.481 5.423 ( 3.631 -0.032 5.802) 6.844 5.730 ( 7.553 -3.992 4.126) 9.487 5.846 ( 3.500 1.752 0.761) 3.987 5.952 ( 4.357 -1.854 3.256) 5.746 6.067 ( 1.086 3.458 -0.238) 3.632 6.142 ( 0.203 1.852 3.210) 3.712 7.230 ( 4.483 -0.464 -6.717) 8.089 7.352 ( 3.343 2.183 -0.056) 3.993 7.621 ( -3.145 2.237 -16.479) 16.925 7.980 ( -0.805 -1.687 -5.158) 5.486 8.642 ( -5.767 -4.209 -8.212) 10.882 9.027 ( 1.848 3.547 7.312) 8.335 9.325 ( 0.483 -0.074 3.979) 4.009 9.557 ( -0.798 0.167 9.156) 9.192 ======================= Grid point 40 (41/135) ======================= q-point: (-0.06 -0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.355 ( -0.000 -0.000 -18.533) 18.533 0.482 ( -0.000 -0.000 -24.740) 24.740 0.730 ( -0.000 -0.000 -38.275) 38.275 2.429 ( -0.000 -0.000 -0.508) 0.508 2.830 ( 0.000 0.000 6.149) 6.149 3.473 ( 0.000 0.000 4.128) 4.128 3.508 ( -0.000 -0.000 -3.460) 3.460 3.604 ( -0.000 -0.000 -2.718) 2.718 3.606 ( 0.000 0.000 0.618) 0.618 3.815 ( 0.000 0.000 8.065) 8.065 4.082 ( 0.000 0.000 2.654) 2.654 4.115 ( 0.000 0.000 6.117) 6.117 4.162 ( -0.000 -0.000 -2.063) 2.063 4.226 ( -0.000 -0.000 -0.553) 0.553 4.647 ( -0.000 -0.000 -4.440) 4.440 4.769 ( -0.000 -0.000 -0.333) 0.333 4.846 ( -0.000 -0.000 -0.607) 0.607 4.969 ( 0.000 0.000 0.500) 0.500 5.922 ( 0.000 0.000 5.039) 5.039 6.023 ( 0.000 0.000 4.103) 4.103 6.163 ( 0.000 0.000 3.434) 3.434 6.301 ( 0.000 0.000 1.603) 1.603 6.967 ( -0.000 -0.000 -1.908) 1.908 7.307 ( -0.000 -0.000 -1.725) 1.725 7.740 ( -0.000 -0.000 -5.332) 5.332 8.247 ( -0.000 -0.000 -1.547) 1.547 8.422 ( -0.000 -0.000 -4.989) 4.989 9.031 ( 0.000 0.000 4.004) 4.004 9.398 ( -0.000 -0.000 -1.441) 1.441 9.560 ( 0.000 0.000 3.130) 3.130 ======================= Grid point 41 (42/135) ======================= q-point: ( 0.54 -0.43 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.331 ( -8.100 3.259 3.511) 9.411 1.632 ( -10.596 3.501 4.057) 11.874 2.063 ( 13.194 -3.585 3.562) 14.128 2.229 ( -0.534 -5.144 1.474) 5.377 2.381 ( 2.424 -1.712 5.011) 5.824 2.487 ( -2.457 -3.379 5.130) 6.616 2.873 ( 5.114 -1.387 -6.226) 8.175 3.000 ( 2.636 -0.344 -4.963) 5.630 3.180 ( 8.959 4.147 -3.042) 10.331 3.521 ( -0.899 2.965 0.513) 3.140 3.786 ( 4.900 -0.673 -2.362) 5.482 3.883 ( -1.109 -0.709 -1.098) 1.714 4.103 ( 4.057 5.055 -3.225) 7.240 4.311 ( -1.712 0.536 -4.074) 4.451 4.998 ( 1.193 3.522 1.681) 4.081 5.026 ( -1.524 -0.395 3.702) 4.022 5.585 ( -0.272 -1.252 -2.402) 2.722 5.837 ( -5.968 4.684 -1.369) 7.709 5.920 ( -6.421 -1.060 -1.796) 6.751 6.074 ( -3.105 -8.020 -2.075) 8.847 6.135 ( -4.826 0.994 -4.681) 6.796 6.405 ( -1.486 -0.781 -11.222) 11.347 6.799 ( -1.933 -3.120 13.774) 14.255 6.951 ( 1.306 0.017 15.726) 15.780 7.343 ( -2.935 -2.025 0.696) 3.633 7.757 ( 1.841 1.318 4.185) 4.758 8.366 ( 6.983 4.867 4.852) 9.797 9.246 ( -4.126 -4.180 -3.377) 6.775 9.508 ( -1.453 1.245 -3.493) 3.983 9.847 ( 1.215 -0.850 -4.642) 4.873 ======================= Grid point 42 (43/135) ======================= q-point: ( 0.14 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.353 ( 8.747 -0.215 14.828) 17.217 1.521 ( 11.002 7.572 13.119) 18.721 2.436 ( 3.031 -1.366 -3.631) 4.923 2.504 ( -0.419 -1.029 -1.497) 1.864 2.575 ( -0.707 0.659 4.935) 5.029 2.780 ( -16.443 0.684 -3.393) 16.804 3.012 ( -12.034 -2.536 1.146) 12.352 3.192 ( -9.504 -0.204 -1.715) 9.659 3.292 ( -10.471 -4.707 -0.466) 11.489 3.396 ( -13.795 -8.488 0.701) 16.212 3.672 ( -5.330 2.611 -5.053) 7.795 3.730 ( -0.056 1.376 -3.009) 3.309 3.884 ( -2.963 3.019 -4.070) 5.871 3.940 ( -1.795 8.153 -0.680) 8.376 4.913 ( 5.320 2.189 0.065) 5.753 5.290 ( 8.299 1.009 2.755) 8.802 5.387 ( 11.848 -2.234 -0.244) 12.059 5.569 ( 15.290 -6.310 -4.702) 17.196 5.750 ( 2.326 -0.106 1.656) 2.857 5.866 ( 3.311 -0.903 -4.638) 5.769 6.050 ( 0.912 3.901 -2.784) 4.879 6.183 ( -0.123 -1.201 -3.754) 3.943 7.126 ( 3.692 0.248 3.964) 5.422 7.373 ( 1.900 -1.414 -0.356) 2.395 7.927 ( -4.822 -5.127 8.902) 11.348 8.019 ( -4.810 -6.509 10.013) 12.875 8.516 ( -3.211 8.073 7.728) 11.628 9.137 ( 2.044 -2.085 -8.042) 8.555 9.348 ( -0.608 -1.273 -1.893) 2.361 9.448 ( 0.551 4.774 -7.573) 8.969 ======================= Grid point 43 (44/135) ======================= q-point: (-0.26 -0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.500 ( -4.405 -6.264 -12.435) 14.604 1.672 ( -1.944 -4.350 -12.201) 13.098 2.324 ( 2.033 -1.032 5.121) 5.606 2.505 ( 2.761 1.131 1.550) 3.362 2.759 ( 3.012 5.909 -6.619) 9.370 2.890 ( 2.506 -0.082 5.662) 6.192 3.128 ( 1.321 -5.125 -0.366) 5.305 3.334 ( 12.767 -0.554 3.596) 13.276 3.474 ( 6.207 6.193 -0.435) 8.779 3.508 ( 7.273 2.346 8.181) 11.195 3.646 ( 2.695 -2.031 4.743) 5.821 3.821 ( 1.299 5.106 -2.586) 5.869 3.936 ( 10.750 -3.922 1.181) 11.503 4.160 ( 11.050 -0.604 -4.061) 11.788 4.819 ( -3.904 -4.081 -0.126) 5.649 5.086 ( -16.063 1.119 0.025) 16.102 5.126 ( -14.231 -0.736 -1.289) 14.308 5.223 ( -9.121 3.341 -0.595) 9.732 5.736 ( -2.324 0.139 2.396) 3.341 5.748 ( -2.280 0.664 -2.173) 3.219 5.980 ( -0.995 -2.792 2.815) 4.088 6.102 ( -1.051 1.011 3.723) 3.998 7.126 ( -1.915 -1.261 -2.483) 3.380 7.305 ( -1.389 1.634 3.295) 3.931 8.050 ( 2.151 1.419 -0.332) 2.598 8.238 ( 1.771 12.387 -3.445) 12.979 8.710 ( 4.652 -11.297 -0.411) 12.224 8.975 ( -3.994 -0.762 -0.912) 4.167 9.278 ( -0.600 -1.819 3.675) 4.144 9.424 ( 2.602 2.021 -0.287) 3.307 ======================= Grid point 44 (45/135) ======================= q-point: ( 0.34 -0.56 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.619 ( 1.627 0.106 -8.357) 8.514 1.782 ( -3.349 -1.081 -4.527) 5.734 2.002 ( 0.094 -0.105 -7.115) 7.116 2.152 ( 2.143 0.468 0.590) 2.272 2.596 ( 3.172 1.076 -1.436) 3.644 2.624 ( 3.564 2.151 -5.155) 6.626 2.747 ( 1.726 -0.843 10.717) 10.888 2.848 ( 0.701 -0.453 -1.956) 2.127 2.930 ( -5.559 -4.951 3.811) 8.363 3.437 ( -2.346 2.644 7.284) 8.096 3.674 ( -1.044 0.606 2.427) 2.710 3.854 ( 0.474 0.312 3.457) 3.503 3.988 ( -1.370 1.287 3.595) 4.056 4.219 ( -1.400 3.454 5.761) 6.861 5.039 ( -0.839 -2.815 -2.996) 4.196 5.180 ( 2.130 -2.552 -8.725) 9.336 5.528 ( -0.150 -2.299 3.153) 3.905 5.860 ( -0.685 0.508 2.161) 2.323 5.930 ( -0.151 1.395 2.942) 3.259 6.058 ( -0.336 0.999 4.096) 4.229 6.126 ( 2.319 -2.159 2.211) 3.863 6.245 ( 0.372 1.155 7.306) 7.406 7.138 ( 0.191 0.173 -9.152) 9.155 7.222 ( 1.718 -0.247 -20.721) 20.793 7.397 ( 0.715 0.559 -0.625) 1.102 7.850 ( -0.282 -0.092 -7.022) 7.028 8.396 ( -2.253 -0.837 -7.714) 8.079 9.210 ( 1.865 0.417 6.642) 6.911 9.428 ( -0.170 -0.743 5.595) 5.646 9.705 ( -0.632 1.375 7.828) 7.973 ======================= Grid point 45 (46/135) ======================= q-point: (-0.06 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.466 ( 22.714 -0.000 0.000) 22.714 0.509 ( 25.371 -0.000 0.000) 25.371 0.861 ( 43.240 -0.000 0.000) 43.240 2.452 ( 2.632 -0.000 0.000) 2.632 2.605 ( -7.591 0.000 -0.000) 7.591 2.965 ( 5.159 -0.000 0.000) 5.159 3.405 ( -8.839 0.000 -0.000) 8.839 3.415 ( -6.481 0.000 -0.000) 6.481 3.451 ( -14.510 0.000 -0.000) 14.510 3.731 ( -24.146 0.000 -0.000) 24.146 4.006 ( 8.159 -0.000 0.000) 8.159 4.052 ( -5.432 0.000 -0.000) 5.432 4.108 ( -16.212 0.000 -0.000) 16.212 4.157 ( -1.984 0.000 -0.000) 1.984 4.679 ( 17.642 -0.000 0.000) 17.642 4.801 ( 3.428 -0.000 0.000) 3.428 5.275 ( 24.461 -0.000 0.000) 24.461 5.956 ( -0.814 0.000 -0.000) 0.814 6.093 ( 2.302 -0.000 0.000) 2.302 6.122 ( -5.037 0.000 -0.000) 5.037 6.331 ( -0.899 0.000 -0.000) 0.899 6.381 ( 2.252 -0.000 0.000) 2.252 6.460 ( 0.817 -0.000 0.000) 0.817 6.938 ( -0.869 0.000 -0.000) 0.869 7.303 ( 1.424 -0.000 0.000) 1.424 7.679 ( -0.690 0.000 -0.000) 0.690 8.220 ( -1.142 0.000 -0.000) 1.142 9.396 ( 1.197 -0.000 0.000) 1.197 9.608 ( 1.712 -0.000 0.000) 1.712 9.740 ( -1.459 0.000 -0.000) 1.459 ======================= Grid point 46 (47/135) ======================= q-point: ( 0.54 -0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.294 ( -3.152 8.583 7.373) 11.745 1.590 ( -5.222 6.661 8.562) 12.039 2.160 ( -6.820 -6.814 8.230) 12.675 2.455 ( 2.863 -4.239 7.398) 8.994 2.514 ( 6.743 -1.728 -1.634) 7.150 2.698 ( 8.641 -2.735 5.953) 10.844 2.909 ( 13.630 -3.752 -2.855) 14.422 2.964 ( 6.124 -3.122 -5.594) 8.862 3.382 ( 10.854 2.933 0.391) 11.250 3.438 ( -0.748 0.255 -5.179) 5.239 3.791 ( 2.248 -0.722 -3.319) 4.073 3.875 ( 2.033 6.403 -1.341) 6.850 4.126 ( 8.472 3.118 -7.641) 11.827 4.190 ( -2.120 3.850 -3.486) 5.609 5.000 ( -3.869 3.492 3.038) 6.032 5.100 ( -1.490 -1.608 3.400) 4.046 5.390 ( -12.670 -6.399 -4.073) 14.767 5.603 ( -12.519 7.402 -4.577) 15.247 5.799 ( -1.770 2.257 -1.154) 3.091 5.926 ( -4.899 -0.582 -3.489) 6.043 6.020 ( -2.100 -8.140 -0.465) 8.420 6.204 ( -2.495 -1.736 -6.076) 6.794 6.970 ( -3.463 -2.029 9.981) 10.758 7.275 ( -1.738 -2.163 3.389) 4.380 7.373 ( 2.889 -3.811 16.188) 16.880 7.889 ( 1.459 2.362 5.932) 6.549 8.628 ( 6.373 6.679 6.109) 11.070 9.117 ( 0.389 -6.003 -4.215) 7.345 9.394 ( -1.543 0.857 -4.695) 5.015 9.719 ( -2.009 -0.589 -7.985) 8.255 ======================= Grid point 47 (48/135) ======================= q-point: ( 0.13 0.31 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.802 ( 11.839 -2.492 9.918) 15.644 1.925 ( 9.422 2.789 4.245) 10.704 2.157 ( -8.540 -0.234 -3.612) 9.275 2.236 ( -6.652 3.345 -6.014) 9.572 2.501 ( -10.110 0.258 -3.640) 10.748 2.568 ( -13.115 1.884 -0.889) 13.279 2.876 ( -4.368 -1.906 0.634) 4.808 2.969 ( -6.623 1.686 -3.410) 7.637 3.143 ( 0.158 -6.757 -1.172) 6.860 3.263 ( -7.486 -11.925 2.973) 14.390 3.598 ( 1.743 1.644 0.576) 2.464 3.734 ( -0.414 -0.416 -1.103) 1.250 3.799 ( -0.167 8.404 0.849) 8.448 3.885 ( -2.310 7.413 -0.580) 7.786 5.075 ( 6.881 2.833 4.252) 8.571 5.333 ( -0.387 -0.272 -3.696) 3.726 5.617 ( 6.801 -3.989 3.512) 8.632 5.708 ( 6.975 -6.026 -4.271) 10.159 5.845 ( 4.366 0.380 -0.345) 4.396 5.900 ( 3.245 -1.265 0.931) 3.605 6.026 ( 0.626 4.442 -1.460) 4.718 6.102 ( -1.656 0.961 -2.562) 3.198 7.276 ( 4.684 0.992 2.437) 5.372 7.390 ( 1.311 -0.657 -1.477) 2.081 7.973 ( -1.076 -2.294 1.793) 3.104 8.058 ( -5.578 -3.242 4.591) 7.918 8.659 ( 2.495 3.170 8.157) 9.100 8.987 ( -3.509 -2.206 -7.063) 8.189 9.310 ( -1.113 0.158 0.666) 1.306 9.325 ( 0.749 2.888 -5.388) 6.159 ======================= Grid point 48 (49/135) ======================= q-point: (-0.27 -0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 207 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.178 ( -0.000 -12.723 -14.770) 19.495 1.378 ( -0.000 -6.009 -17.343) 18.354 2.167 ( -0.000 0.211 -31.038) 31.039 2.498 ( 0.000 -1.112 9.564) 9.628 2.540 ( -0.000 -4.252 -4.976) 6.545 3.202 ( 0.000 0.292 8.001) 8.006 3.283 ( 0.000 4.694 14.634) 15.369 3.458 ( 0.000 11.154 -2.929) 11.532 3.543 ( 0.000 3.350 -0.648) 3.413 3.765 ( 0.000 -1.589 8.220) 8.372 3.800 ( 0.000 6.357 5.598) 8.471 3.826 ( 0.000 -2.849 2.792) 3.989 4.178 ( 0.000 -2.202 3.754) 4.353 4.279 ( -0.000 -1.593 0.024) 1.593 4.805 ( -0.000 -2.293 0.394) 2.327 4.822 ( -0.000 1.896 -4.179) 4.589 4.932 ( -0.000 -1.944 0.427) 1.991 5.013 ( -0.000 -2.805 -5.105) 5.825 5.716 ( 0.000 1.235 1.865) 2.236 5.809 ( 0.000 -0.586 5.741) 5.771 6.028 ( 0.000 -1.016 3.174) 3.333 6.161 ( 0.000 2.967 3.555) 4.630 7.055 ( -0.000 0.061 -3.009) 3.009 7.332 ( 0.000 1.885 0.687) 2.006 8.001 ( -0.000 1.314 -6.176) 6.315 8.147 ( 0.000 16.045 -7.701) 17.798 8.742 ( -0.000 -2.136 -8.707) 8.965 8.962 ( 0.000 -13.444 10.476) 17.044 9.367 ( 0.000 -0.759 5.775) 5.825 9.438 ( 0.000 2.313 -0.906) 2.484 ======================= Grid point 50 (50/135) ======================= q-point: (-0.07 0.18 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 219 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.966 ( 18.038 0.000 8.547) 19.961 0.987 ( 23.272 -0.000 1.843) 23.345 1.854 ( 34.403 0.000 14.871) 37.480 2.524 ( 3.501 -0.000 0.715) 3.573 2.584 ( -13.584 0.000 10.239) 17.011 2.972 ( -29.563 0.000 -1.387) 29.595 2.994 ( 1.168 -0.000 -4.534) 4.682 3.219 ( -11.094 0.000 -0.269) 11.097 3.264 ( -12.337 0.000 3.022) 12.701 3.308 ( -19.071 0.000 4.231) 19.534 3.845 ( -7.937 -0.000 -6.117) 10.021 3.914 ( 0.119 -0.000 -4.782) 4.783 4.060 ( -3.002 -0.000 -4.095) 5.077 4.106 ( 6.276 -0.000 -6.057) 8.723 4.904 ( 5.178 -0.000 1.186) 5.313 5.064 ( 13.413 0.000 6.054) 14.716 5.634 ( 10.159 -0.000 -0.389) 10.167 5.701 ( 6.410 -0.000 -19.981) 20.984 5.953 ( 6.820 -0.000 -4.503) 8.173 6.092 ( -1.144 -0.000 -3.001) 3.212 6.093 ( 2.346 -0.000 -4.508) 5.082 6.372 ( 1.468 -0.000 -4.497) 4.730 6.947 ( -0.613 0.000 5.828) 5.860 7.167 ( -15.339 0.000 35.875) 39.016 7.352 ( 1.751 0.000 1.251) 2.152 7.714 ( -0.839 0.000 5.080) 5.148 8.224 ( -0.419 0.000 2.884) 2.914 9.411 ( -0.093 -0.000 -0.682) 0.688 9.587 ( 1.521 -0.000 -10.534) 10.643 9.619 ( 2.746 -0.000 -3.731) 4.633 ======================= Grid point 51 (51/135) ======================= q-point: ( 0.53 -0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.552 ( 5.628 6.205 12.165) 14.770 1.682 ( -2.292 7.876 7.623) 11.198 2.202 ( -6.353 -3.790 13.632) 15.509 2.468 ( 2.539 -2.451 -4.678) 5.860 2.578 ( -0.296 -3.351 -5.976) 6.858 2.919 ( 5.813 -6.860 6.412) 11.044 3.122 ( 9.385 -1.374 0.407) 9.494 3.240 ( 11.868 -0.633 2.761) 12.201 3.351 ( 0.360 -0.615 1.309) 1.490 3.579 ( 10.422 1.347 -3.101) 10.956 3.754 ( 2.757 0.806 -6.577) 7.177 3.875 ( 1.358 3.722 -3.337) 5.180 4.113 ( 4.836 -1.576 -6.447) 8.212 4.180 ( 7.392 5.167 -3.485) 9.669 4.927 ( -13.490 -2.369 2.144) 13.863 5.005 ( -5.497 -0.151 -1.272) 5.644 5.133 ( -7.386 3.146 1.006) 8.091 5.249 ( -11.896 2.496 -3.499) 12.648 5.722 ( -2.486 1.086 -1.472) 3.087 5.840 ( 0.826 1.464 -3.408) 3.799 5.987 ( -1.788 -6.830 0.770) 7.102 6.059 ( -3.811 -1.891 -2.019) 4.709 7.072 ( -2.017 0.035 7.100) 7.381 7.244 ( -1.348 -3.104 -0.822) 3.482 7.763 ( 2.682 -3.245 14.662) 15.254 8.027 ( 0.906 4.024 5.538) 6.905 8.765 ( -0.490 -0.852 3.382) 3.522 9.142 ( 7.681 -0.670 -5.005) 9.192 9.296 ( -0.492 -0.904 -2.289) 2.509 9.501 ( -4.373 0.889 -6.224) 7.658 ======================= Grid point 52 (52/135) ======================= q-point: ( 0.13 -0.57 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.966 ( 8.862 -0.067 -6.514) 10.999 2.021 ( 0.772 1.374 -2.954) 3.348 2.077 ( -11.400 -2.519 -3.254) 12.120 2.191 ( -0.864 0.886 1.091) 1.649 2.320 ( 0.096 2.071 3.628) 4.178 2.407 ( 3.920 5.025 8.452) 10.586 2.832 ( 0.814 0.270 -3.700) 3.799 2.875 ( 2.685 -1.515 0.053) 3.083 3.159 ( 2.357 -9.723 -0.830) 10.039 3.190 ( -3.967 -8.270 1.476) 9.290 3.655 ( -3.276 -0.585 -0.505) 3.366 3.696 ( 2.284 0.935 3.435) 4.229 3.817 ( -0.787 7.840 -1.400) 8.003 3.873 ( -1.319 8.389 4.475) 9.599 5.190 ( -4.267 0.826 -4.870) 6.527 5.294 ( 3.314 1.331 5.645) 6.679 5.670 ( 1.334 -6.294 -6.014) 8.807 5.770 ( -0.647 -3.302 4.454) 5.582 5.896 ( 2.003 0.026 -2.579) 3.265 5.947 ( -2.437 -0.904 2.833) 3.845 6.040 ( -0.385 3.470 0.334) 3.507 6.059 ( 1.794 1.606 1.943) 3.094 7.349 ( -2.036 0.148 -2.628) 3.328 7.381 ( 2.375 0.468 0.891) 2.579 7.913 ( 4.158 -1.895 -10.977) 11.890 8.029 ( -2.387 -1.275 1.193) 2.957 8.739 ( -5.295 -0.604 -8.567) 10.089 8.901 ( 4.771 -0.008 8.450) 9.704 9.290 ( 0.812 0.518 -0.013) 0.963 9.350 ( -1.530 2.035 6.106) 6.616 ======================= Grid point 54 (53/135) ======================= q-point: ( 0.32 -0.32 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.015 ( -10.858 9.652 -0.000) 14.528 1.192 ( -17.114 8.749 -0.000) 19.221 2.045 ( -16.400 5.591 -0.000) 17.327 2.350 ( -2.586 -4.337 0.000) 5.049 2.540 ( 14.352 -11.145 0.000) 18.171 2.540 ( 7.258 1.107 -0.000) 7.342 3.053 ( -1.929 -0.137 -0.000) 1.934 3.232 ( 17.919 -2.958 0.000) 18.161 3.283 ( 6.623 2.572 -0.000) 7.105 3.362 ( 11.108 7.050 -0.000) 13.156 3.912 ( 0.719 -4.566 0.000) 4.622 3.941 ( -1.595 -5.196 0.000) 5.435 4.117 ( 9.370 10.992 -0.000) 14.444 4.271 ( -3.412 2.357 -0.000) 4.147 4.896 ( -5.639 1.128 -0.000) 5.751 5.056 ( -1.636 -3.092 0.000) 3.498 5.543 ( -11.206 4.157 -0.000) 11.952 5.642 ( -13.403 -5.906 0.000) 14.646 5.891 ( 3.354 -4.327 0.000) 5.475 6.086 ( -7.512 -2.851 0.000) 8.034 6.240 ( -0.670 -8.393 0.000) 8.420 6.546 ( -1.686 3.227 -0.000) 3.641 6.598 ( -0.611 3.766 -0.000) 3.815 6.786 ( 1.381 -5.489 0.000) 5.660 7.312 ( -2.717 -1.699 0.000) 3.205 7.720 ( 1.673 2.424 -0.000) 2.946 8.341 ( 6.360 7.254 -0.000) 9.647 9.314 ( -1.199 -5.539 0.000) 5.667 9.493 ( -2.272 -0.563 0.000) 2.341 9.914 ( 0.476 1.062 -0.000) 1.164 ======================= Grid point 55 (54/135) ======================= q-point: (-0.08 0.30 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.468 ( 13.231 0.000 10.974) 17.190 1.489 ( 19.802 -0.000 5.815) 20.638 2.348 ( -26.575 0.000 -1.055) 26.596 2.388 ( -12.270 0.000 1.931) 12.421 2.586 ( -0.186 -0.000 -0.180) 0.259 2.625 ( 12.767 -0.000 1.546) 12.860 2.855 ( -8.780 0.000 -0.635) 8.803 3.044 ( -8.494 0.000 -1.398) 8.608 3.101 ( -0.738 0.000 1.247) 1.449 3.125 ( -6.907 0.000 7.043) 9.865 3.631 ( -2.907 -0.000 -2.762) 4.010 3.835 ( 2.294 -0.000 -7.106) 7.467 3.915 ( -2.473 -0.000 -4.758) 5.362 4.042 ( 3.960 -0.000 -10.305) 11.040 5.009 ( 4.509 -0.000 -0.163) 4.511 5.365 ( 5.549 0.000 3.976) 6.826 5.613 ( 3.730 -0.000 -1.908) 4.189 5.698 ( 0.069 0.000 0.520) 0.524 6.001 ( 3.942 -0.000 -5.140) 6.478 6.024 ( -0.187 -0.000 -2.896) 2.902 6.064 ( 5.994 -0.000 -5.683) 8.259 6.262 ( -1.861 -0.000 -5.858) 6.146 7.093 ( 2.722 0.000 7.031) 7.540 7.396 ( 0.073 0.000 0.978) 0.981 7.443 ( -13.464 0.000 24.698) 28.130 7.830 ( 0.411 0.000 7.157) 7.169 8.338 ( 3.083 0.000 6.581) 7.268 9.304 ( -4.832 -0.000 -5.776) 7.530 9.453 ( 2.191 -0.000 -7.310) 7.631 9.569 ( 2.952 -0.000 -7.284) 7.860 ======================= Grid point 56 (55/135) ======================= q-point: ( 0.52 -0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.742 ( -0.000 -3.075 -0.090) 3.076 1.763 ( 0.000 4.171 3.541) 5.471 2.413 ( -0.000 -4.747 -3.348) 5.809 2.446 ( 0.000 4.063 0.084) 4.064 2.535 ( 0.000 -3.974 18.894) 19.307 2.907 ( -0.000 1.229 -11.661) 11.725 3.312 ( 0.000 -2.385 9.408) 9.706 3.391 ( 0.000 2.420 3.622) 4.356 3.504 ( 0.000 -0.249 5.132) 5.138 3.551 ( -0.000 -4.452 -12.818) 13.569 3.699 ( 0.000 7.088 -0.211) 7.091 3.768 ( -0.000 0.239 -8.209) 8.213 4.107 ( -0.000 -5.753 1.179) 5.872 4.239 ( 0.000 4.971 -2.217) 5.443 4.795 ( 0.000 -2.171 2.214) 3.101 4.873 ( -0.000 2.401 -1.876) 3.047 5.061 ( -0.000 -2.893 -1.381) 3.206 5.116 ( 0.000 4.536 -0.125) 4.538 5.693 ( 0.000 -0.665 1.066) 1.256 5.761 ( -0.000 1.285 -4.284) 4.472 5.983 ( -0.000 -4.049 1.003) 4.171 6.018 ( 0.000 0.219 1.166) 1.186 7.171 ( 0.000 1.795 5.249) 5.547 7.198 ( -0.000 -2.940 -2.517) 3.870 7.997 ( 0.000 -1.196 7.003) 7.104 8.108 ( 0.000 5.493 1.323) 5.650 8.835 ( 0.000 -6.419 5.390) 8.382 9.065 ( -0.000 2.641 -8.837) 9.223 9.292 ( -0.000 -4.433 0.294) 4.443 9.395 ( 0.000 4.211 -1.174) 4.372 ======================= Grid point 57 (56/135) ======================= q-point: ( 0.12 -0.45 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.597 ( -15.123 -2.643 -10.495) 18.597 1.751 ( -11.429 4.727 -10.599) 16.288 2.281 ( 18.916 -0.670 4.628) 19.486 2.345 ( 10.788 -0.444 4.956) 11.880 2.558 ( 1.190 -0.101 1.452) 1.880 2.596 ( 4.118 0.154 2.714) 4.934 2.861 ( 5.031 -1.358 -0.404) 5.227 2.983 ( 9.679 -3.027 -1.224) 10.215 3.157 ( 6.406 -5.189 -4.536) 9.410 3.197 ( 1.046 -1.571 1.046) 2.158 3.618 ( 0.002 1.113 1.182) 1.623 3.778 ( -3.124 1.811 4.681) 5.912 3.819 ( 2.739 4.763 2.802) 6.168 3.947 ( -1.293 7.144 5.624) 9.184 5.020 ( -5.323 1.207 -1.521) 5.666 5.384 ( -1.727 -0.626 0.204) 1.848 5.545 ( -4.187 -6.085 -2.386) 7.762 5.783 ( -5.304 -0.404 2.904) 6.060 5.817 ( -4.517 -2.500 -1.395) 5.348 5.946 ( -4.406 -1.394 4.460) 6.423 6.067 ( -0.717 4.962 2.886) 5.785 6.163 ( 1.954 -0.460 3.885) 4.373 7.208 ( -4.322 0.435 -4.845) 6.507 7.403 ( -0.743 -0.482 0.018) 0.886 7.778 ( 8.896 -5.815 -16.252) 19.419 7.971 ( 0.616 0.473 -5.765) 5.817 8.501 ( -1.593 2.641 -8.271) 8.828 9.134 ( 2.317 -2.508 8.101) 8.791 9.340 ( 0.061 -0.537 3.490) 3.532 9.467 ( -1.334 4.187 8.631) 9.685 ======================= Grid point 59 (57/135) ======================= q-point: ( 0.32 -0.21 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.886 ( -1.957 15.506 7.877) 17.502 1.045 ( -9.328 14.042 11.943) 20.660 1.784 ( -14.914 19.967 5.595) 25.543 2.387 ( -1.707 -4.219 7.481) 8.756 2.724 ( 7.435 -7.051 1.463) 10.351 2.819 ( 5.820 -11.105 6.595) 14.167 3.008 ( 0.398 -0.615 5.067) 5.120 3.369 ( 7.844 -0.444 -5.546) 9.617 3.594 ( 13.296 -3.372 1.676) 13.819 3.626 ( 9.805 -4.394 -5.180) 11.928 3.885 ( 1.735 -2.644 0.379) 3.185 3.947 ( 8.097 -2.103 -1.989) 8.599 4.175 ( -0.373 2.214 -4.054) 4.635 4.324 ( 12.718 11.195 -3.473) 17.296 4.788 ( -8.506 1.797 3.407) 9.338 4.986 ( -6.423 2.229 1.840) 7.043 5.157 ( -20.969 -0.931 -2.679) 21.160 5.315 ( -17.180 1.358 -2.287) 17.384 5.841 ( -2.141 -2.001 -5.511) 6.242 6.008 ( 5.064 -2.922 -3.766) 6.954 6.178 ( -0.419 -5.745 -3.802) 6.902 6.269 ( -5.062 1.399 -8.272) 9.798 6.853 ( 0.486 -4.653 5.434) 7.170 7.079 ( 2.725 -7.285 25.832) 26.977 7.290 ( -1.086 -2.616 3.057) 4.167 7.781 ( 0.818 2.303 3.504) 4.272 8.505 ( 4.965 7.843 4.051) 10.128 9.322 ( 3.467 -4.286 -0.724) 5.559 9.435 ( 1.024 0.122 -3.933) 4.066 9.785 ( -6.463 0.223 -8.012) 10.296 ======================= Grid point 60 (58/135) ======================= q-point: (-0.08 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 219 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.798 ( -5.823 0.000 9.892) 11.479 1.930 ( 5.466 0.000 5.374) 7.666 2.090 ( 7.377 -0.000 2.765) 7.878 2.095 ( -5.634 0.000 -0.022) 5.634 2.496 ( -2.423 -0.000 -7.339) 7.729 2.521 ( -4.775 -0.000 -9.020) 10.206 2.752 ( -4.307 0.000 3.597) 5.611 2.874 ( -7.103 0.000 2.393) 7.496 3.219 ( 1.765 0.000 3.828) 4.215 3.264 ( 6.771 -0.000 -0.899) 6.830 3.660 ( 5.073 0.000 2.180) 5.521 3.742 ( 2.154 -0.000 -5.953) 6.331 3.793 ( -1.186 -0.000 -4.456) 4.611 3.911 ( 3.156 -0.000 -9.867) 10.359 5.118 ( 4.944 0.000 2.440) 5.513 5.381 ( -3.011 -0.000 -4.263) 5.219 5.680 ( -1.697 0.000 4.782) 5.074 5.729 ( -1.259 0.000 2.879) 3.142 5.963 ( -0.002 -0.000 -3.660) 3.660 5.981 ( 1.352 -0.000 -1.020) 1.693 6.033 ( 0.436 -0.000 -4.568) 4.589 6.106 ( -3.786 -0.000 -4.053) 5.546 7.273 ( 1.682 0.000 5.516) 5.767 7.380 ( -2.998 0.000 0.250) 3.008 7.640 ( -7.560 0.000 19.138) 20.577 7.984 ( 2.414 0.000 5.775) 6.259 8.587 ( 6.959 0.000 8.332) 10.856 9.056 ( -6.325 -0.000 -7.841) 10.074 9.353 ( -0.033 -0.000 -5.480) 5.480 9.469 ( 2.743 -0.000 -8.662) 9.086 ======================= Grid point 62 (59/135) ======================= q-point: ( 0.11 -0.34 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.089 ( -14.301 0.701 -11.733) 18.511 1.286 ( -14.044 8.734 -11.225) 19.988 2.222 ( -20.145 3.046 -15.179) 25.407 2.544 ( -3.118 0.911 -1.609) 3.625 2.619 ( 8.402 -2.864 3.436) 9.518 2.855 ( 22.657 -5.665 3.037) 23.551 2.975 ( 9.239 -0.367 -2.886) 9.686 3.168 ( 9.047 -6.711 -0.864) 11.298 3.301 ( 11.663 1.715 -0.237) 11.791 3.382 ( 17.949 -2.414 -1.244) 18.153 3.760 ( 7.358 3.460 5.548) 9.844 3.850 ( -1.104 -0.523 6.770) 6.880 3.934 ( 2.669 3.484 2.552) 5.077 4.031 ( -2.112 4.554 7.050) 8.654 4.918 ( -5.125 0.865 0.127) 5.200 5.202 ( -9.339 0.441 -5.687) 10.943 5.427 ( -10.934 -2.012 4.094) 11.847 5.641 ( -15.355 -1.603 2.661) 15.666 5.763 ( -0.575 -4.336 3.399) 5.539 5.966 ( -3.045 -1.359 5.565) 6.487 6.113 ( -0.768 4.079 3.720) 5.574 6.263 ( -0.591 -1.854 4.665) 5.054 7.034 ( -2.304 -1.173 -5.619) 6.186 7.364 ( -1.804 -1.492 -1.235) 2.647 7.626 ( 11.798 -10.046 -21.991) 26.902 7.853 ( 1.106 0.238 -7.642) 7.725 8.374 ( 3.080 6.592 -6.753) 9.927 9.299 ( -0.569 -4.591 7.684) 8.969 9.391 ( -1.709 -0.373 3.137) 3.592 9.606 ( -1.750 6.559 8.575) 10.937 ======================= Grid point 63 (60/135) ======================= q-point: (-0.29 0.29 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.216 ( 14.601 -0.924 0.000) 14.630 1.440 ( 17.552 -3.345 0.000) 17.868 2.263 ( -27.210 6.317 -0.000) 27.934 2.290 ( -7.009 -0.229 -0.000) 7.013 2.441 ( 21.398 2.438 -0.000) 21.536 2.537 ( 0.118 1.566 -0.000) 1.570 2.952 ( -10.568 -1.957 0.000) 10.748 3.029 ( -6.445 -7.610 0.000) 9.972 3.066 ( -1.475 1.706 -0.000) 2.255 3.155 ( -0.726 -2.714 0.000) 2.809 3.770 ( -6.788 -3.181 0.000) 7.496 4.003 ( -2.826 2.541 -0.000) 3.800 4.033 ( 3.245 -1.633 0.000) 3.632 4.311 ( 4.198 -1.371 0.000) 4.416 4.970 ( 3.197 -0.160 0.000) 3.201 5.164 ( 2.254 5.351 -0.000) 5.806 5.647 ( 0.512 4.793 -0.000) 4.820 5.884 ( -3.023 1.116 -0.000) 3.222 5.997 ( 7.500 6.437 -0.000) 9.884 6.171 ( -0.166 -0.212 0.000) 0.270 6.348 ( -1.509 0.539 -0.000) 1.603 6.510 ( 2.536 -6.879 0.000) 7.331 6.530 ( 1.622 -2.083 0.000) 2.640 6.837 ( -2.257 3.716 -0.000) 4.348 7.368 ( 0.878 -0.173 0.000) 0.895 7.665 ( -0.058 -0.912 0.000) 0.914 8.204 ( 0.147 -1.020 0.000) 1.031 9.391 ( -1.427 1.353 -0.000) 1.966 9.585 ( 1.840 4.218 -0.000) 4.602 9.812 ( -0.608 -5.548 0.000) 5.582 ======================= Grid point 64 (61/135) ======================= q-point: ( 0.31 -0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 207 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.209 ( 0.000 11.502 16.064) 19.758 1.211 ( 0.000 14.908 13.809) 20.321 1.778 ( 0.000 12.658 15.175) 19.761 2.506 ( 0.000 1.863 6.325) 6.594 2.688 ( -0.000 0.472 -7.894) 7.908 3.004 ( 0.000 -16.477 8.686) 18.626 3.291 ( 0.000 -10.081 11.090) 14.987 3.337 ( -0.000 0.028 -6.669) 6.669 3.493 ( -0.000 -5.734 -10.297) 11.786 3.792 ( -0.000 -2.214 -2.769) 3.546 3.873 ( 0.000 -0.651 0.857) 1.076 3.947 ( -0.000 -0.834 -9.311) 9.348 4.274 ( -0.000 1.056 -2.206) 2.446 4.397 ( -0.000 4.513 -5.338) 6.990 4.686 ( 0.000 -2.223 5.899) 6.303 4.897 ( 0.000 5.354 -2.321) 5.836 4.989 ( 0.000 3.686 -0.413) 3.709 5.013 ( 0.000 4.653 2.390) 5.231 5.747 ( -0.000 -1.434 -3.318) 3.614 5.958 ( -0.000 2.078 -8.029) 8.294 6.087 ( -0.000 -1.707 -3.385) 3.791 6.120 ( -0.000 -7.243 -1.892) 7.486 6.955 ( 0.000 -2.483 5.386) 5.931 7.278 ( 0.000 -2.752 1.665) 3.217 7.608 ( 0.000 -12.906 19.316) 23.231 7.879 ( 0.000 1.564 5.787) 5.995 8.650 ( 0.000 3.692 5.919) 6.977 9.340 ( -0.000 1.398 -3.996) 4.234 9.420 ( -0.000 1.738 -8.411) 8.589 9.471 ( -0.000 -0.238 -4.031) 4.038 ======================= Grid point 65 (62/135) ======================= q-point: (-0.09 -0.47 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.854 ( -7.555 0.000 5.332) 9.247 1.879 ( -2.970 0.000 7.982) 8.517 2.195 ( 1.660 -0.000 -5.928) 6.156 2.217 ( -0.332 -0.000 -10.134) 10.140 2.439 ( 8.395 0.000 3.396) 9.056 2.503 ( 18.436 -0.000 2.864) 18.657 2.831 ( 2.411 0.000 6.413) 6.851 2.882 ( 1.442 0.000 3.989) 4.241 3.258 ( 1.094 -0.000 -2.310) 2.556 3.353 ( 3.052 0.000 2.323) 3.836 3.688 ( 2.058 -0.000 -6.429) 6.750 3.714 ( -0.194 -0.000 -1.129) 1.146 3.795 ( 6.423 -0.000 -1.348) 6.563 3.818 ( 4.917 -0.000 -7.283) 8.788 5.147 ( -8.564 -0.000 -6.319) 10.643 5.264 ( 2.416 0.000 3.674) 4.397 5.678 ( -7.342 0.000 -0.883) 7.395 5.683 ( -9.357 0.000 6.448) 11.364 5.876 ( -1.872 -0.000 -3.415) 3.895 5.955 ( -1.947 0.000 0.005) 1.947 5.969 ( -3.625 -0.000 -2.925) 4.658 6.028 ( 1.099 0.000 2.702) 2.917 7.294 ( -4.937 0.000 -0.746) 4.993 7.348 ( -2.404 0.000 3.891) 4.574 7.872 ( 0.050 0.000 11.345) 11.345 8.140 ( 5.660 -0.000 2.188) 6.068 8.780 ( -5.926 -0.000 -7.882) 9.861 8.879 ( 6.539 0.000 6.757) 9.403 9.267 ( -0.964 -0.000 -1.698) 1.953 9.370 ( 2.294 -0.000 -6.071) 6.490 ======================= Grid point 66 (63/135) ======================= q-point: (-0.49 0.16 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.390 ( 4.019 -4.060 -13.903) 15.031 1.655 ( 8.208 -6.748 -11.151) 15.403 2.394 ( 3.244 3.648 1.258) 5.041 2.479 ( 0.419 1.829 -1.153) 2.203 2.555 ( -7.651 1.945 2.612) 8.315 2.815 ( -14.908 -2.418 -1.505) 15.177 2.943 ( -8.815 6.342 0.675) 10.881 3.075 ( -9.870 7.802 -6.655) 14.233 3.286 ( -4.187 -2.617 6.154) 7.890 3.332 ( -14.952 0.195 2.820) 15.217 3.720 ( -4.881 -1.193 4.193) 6.544 3.738 ( 1.076 -1.863 3.605) 4.198 3.967 ( -3.635 -5.070 2.171) 6.606 4.053 ( -0.451 -4.023 2.797) 4.921 4.971 ( 4.307 -4.188 -2.135) 6.376 5.264 ( 7.666 4.114 -4.827) 9.950 5.383 ( 5.661 0.462 5.175) 7.684 5.451 ( 17.021 2.863 2.838) 17.492 5.763 ( 4.359 -0.934 -0.770) 4.524 5.855 ( 2.906 0.132 3.968) 4.920 6.091 ( 1.713 0.191 1.688) 2.413 6.151 ( 1.164 1.990 2.936) 3.733 7.131 ( 4.028 -0.319 -5.477) 6.806 7.336 ( 2.503 2.528 0.360) 3.575 7.793 ( -5.249 7.378 -14.258) 16.890 7.970 ( -0.449 -0.011 -5.049) 5.069 8.651 ( -5.180 -6.522 -7.853) 11.448 9.091 ( -0.739 3.084 6.954) 7.643 9.325 ( 0.289 1.126 2.119) 2.417 9.525 ( 1.237 -3.209 8.894) 9.536 ======================= Grid point 68 (64/135) ======================= q-point: (-0.29 0.41 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.486 ( 1.231 -0.390 5.088) 5.249 1.723 ( 6.018 0.150 3.575) 7.001 1.883 ( -5.450 1.675 5.491) 7.916 2.184 ( -2.634 0.209 -2.510) 3.644 2.492 ( -14.202 -1.401 3.499) 14.694 2.529 ( -4.276 -0.786 4.012) 5.916 2.831 ( -1.932 1.754 -0.499) 2.657 2.983 ( 2.316 0.679 -8.804) 9.129 3.079 ( 7.714 3.266 -3.001) 8.898 3.361 ( 13.300 -7.795 4.000) 15.926 3.655 ( -0.438 -3.331 -1.130) 3.544 3.912 ( -2.725 0.785 -2.569) 3.826 4.063 ( 4.185 -1.067 -5.042) 6.639 4.297 ( 1.981 -0.830 -6.739) 7.073 5.039 ( 0.707 0.096 2.615) 2.711 5.197 ( -1.997 12.655 3.539) 13.291 5.620 ( -1.411 1.928 -1.761) 2.968 5.807 ( -0.694 -7.750 -2.075) 8.053 6.017 ( 0.736 3.963 -3.747) 5.504 6.101 ( -4.038 -0.140 -1.630) 4.357 6.236 ( -1.475 1.235 -5.021) 5.377 6.391 ( -0.563 -2.413 -10.082) 10.382 6.812 ( -4.190 -1.816 19.513) 20.040 6.942 ( 0.306 0.788 11.307) 11.339 7.365 ( -2.068 -1.174 0.747) 2.492 7.734 ( 1.769 0.172 4.819) 5.136 8.298 ( 5.172 1.458 4.728) 7.158 9.294 ( -5.045 -1.030 -3.476) 6.212 9.557 ( -0.025 2.472 -4.261) 4.926 9.782 ( 1.875 -2.896 -4.472) 5.648 ======================= Grid point 70 (65/135) ======================= q-point: (-0.10 -0.35 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 219 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.624 ( -11.034 -0.000 -9.502) 14.561 1.695 ( -5.761 -0.000 -13.522) 14.698 2.269 ( 2.932 0.000 7.719) 8.257 2.395 ( 9.356 0.000 8.514) 12.650 2.673 ( 8.363 0.000 4.994) 9.741 2.814 ( 8.673 -0.000 -10.359) 13.511 3.051 ( 4.950 0.000 8.241) 9.613 3.065 ( 11.043 -0.000 0.108) 11.043 3.277 ( 8.293 0.000 3.260) 8.911 3.495 ( 2.671 0.000 6.943) 7.439 3.643 ( -2.069 -0.000 -0.986) 2.292 3.694 ( 10.310 -0.000 -4.136) 11.109 3.834 ( 4.067 -0.000 -1.872) 4.477 3.873 ( 8.497 -0.000 -5.353) 10.043 4.897 ( -7.463 0.000 -1.479) 7.608 5.293 ( -5.373 0.000 0.527) 5.399 5.427 ( -14.434 0.000 -1.382) 14.500 5.551 ( -15.251 0.000 5.021) 16.057 5.790 ( -2.561 0.000 -0.401) 2.592 5.832 ( -4.633 -0.000 -1.945) 5.025 5.957 ( -0.461 0.000 2.130) 2.179 6.113 ( 0.481 0.000 4.156) 4.184 7.174 ( -4.121 -0.000 -1.978) 4.571 7.359 ( -2.359 0.000 2.640) 3.541 8.016 ( 2.209 -0.000 0.821) 2.356 8.289 ( 10.160 -0.000 -2.988) 10.591 8.541 ( -3.740 -0.000 -6.829) 7.786 9.037 ( -1.561 0.000 3.896) 4.198 9.272 ( -0.757 0.000 3.975) 4.047 9.365 ( 3.955 -0.000 -0.758) 4.027 ======================= Grid point 71 (66/135) ======================= q-point: (-0.50 0.28 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.400 ( 14.679 -0.274 -7.472) 16.473 1.662 ( 11.114 -4.855 -7.426) 14.221 2.217 ( -19.109 4.473 -3.881) 20.006 2.352 ( -10.777 2.096 -3.027) 11.388 2.508 ( 4.946 3.983 -0.911) 6.415 2.649 ( 4.001 1.419 -2.035) 4.708 2.796 ( -6.507 3.123 0.318) 7.225 2.934 ( -4.360 3.058 5.240) 7.471 3.045 ( -14.899 -3.231 0.729) 15.263 3.376 ( 2.739 -7.209 4.180) 8.771 3.704 ( -3.947 -2.287 3.926) 6.019 3.853 ( 1.146 1.139 4.392) 4.680 3.966 ( -0.081 -3.651 2.640) 4.507 4.178 ( 2.556 -4.791 5.740) 7.901 5.009 ( 2.306 -0.066 -1.054) 2.536 5.203 ( 0.050 5.660 -8.178) 9.946 5.528 ( 0.072 0.853 3.917) 4.010 5.767 ( 8.888 1.314 2.270) 9.267 5.873 ( 5.232 -2.306 2.084) 6.086 6.018 ( 3.541 0.512 5.403) 6.481 6.146 ( 0.180 2.796 1.876) 3.372 6.249 ( 0.159 0.081 6.625) 6.628 7.077 ( 4.050 0.864 -9.340) 10.217 7.314 ( -4.625 3.859 -17.802) 18.793 7.394 ( 0.020 0.903 -3.050) 3.181 7.849 ( -0.180 -0.375 -6.783) 6.796 8.407 ( -3.192 -4.009 -7.615) 9.179 9.222 ( 0.469 3.388 6.332) 7.197 9.415 ( 1.113 0.300 5.031) 5.161 9.704 ( -0.357 -2.762 8.273) 8.729 ======================= Grid point 72 (67/135) ======================= q-point: ( 0.10 -0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.384 ( 0.000 20.689 -0.000) 20.689 0.425 ( 0.000 22.827 -0.000) 22.827 0.833 ( 0.000 44.759 -0.000) 44.759 2.368 ( -0.000 -5.408 0.000) 5.408 2.750 ( 0.000 4.440 -0.000) 4.440 2.889 ( -0.000 -0.373 0.000) 0.373 3.147 ( -0.000 -21.224 0.000) 21.224 3.516 ( 0.000 0.165 -0.000) 0.165 3.773 ( 0.000 6.265 -0.000) 6.265 3.878 ( -0.000 -2.692 0.000) 2.692 3.932 ( -0.000 -10.158 0.000) 10.158 4.187 ( 0.000 1.006 -0.000) 1.006 4.270 ( 0.000 7.387 -0.000) 7.387 4.294 ( 0.000 4.953 -0.000) 4.953 4.570 ( -0.000 -3.199 0.000) 3.199 4.799 ( 0.000 5.238 -0.000) 5.238 4.893 ( 0.000 3.745 -0.000) 3.745 4.984 ( 0.000 1.173 -0.000) 1.173 5.923 ( -0.000 -4.721 0.000) 4.721 6.206 ( 0.000 0.198 -0.000) 0.198 6.274 ( -0.000 -4.753 0.000) 4.753 6.467 ( 0.000 1.642 -0.000) 1.642 6.605 ( -0.000 -0.036 0.000) 0.036 6.907 ( -0.000 -4.097 0.000) 4.097 7.278 ( -0.000 -1.126 0.000) 1.126 7.708 ( 0.000 2.239 -0.000) 2.239 8.414 ( 0.000 4.388 -0.000) 4.388 9.373 ( -0.000 -0.938 0.000) 0.938 9.582 ( -0.000 -0.937 0.000) 0.937 9.841 ( -0.000 -3.057 0.000) 3.057 ======================= Grid point 73 (68/135) ======================= q-point: ( 0.70 -0.48 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.495 ( -3.851 4.128 6.563) 8.657 1.736 ( -9.309 -1.422 3.439) 10.025 2.131 ( 4.309 -0.137 6.274) 7.612 2.249 ( 11.403 -2.684 8.577) 14.519 2.415 ( 0.577 -0.114 0.418) 0.722 2.577 ( -2.410 -1.367 8.314) 8.763 2.704 ( 0.373 -1.816 -7.892) 8.107 2.844 ( 1.872 -1.698 -7.826) 8.224 3.252 ( 9.823 4.948 0.759) 11.025 3.434 ( 0.471 -2.072 -4.794) 5.243 3.756 ( 2.735 1.433 -1.843) 3.596 3.883 ( 7.075 2.105 -2.958) 7.952 4.002 ( 4.087 -2.923 -8.034) 9.476 4.200 ( 2.960 -1.863 -7.500) 8.275 5.104 ( -0.253 0.276 4.345) 4.361 5.212 ( -5.075 10.680 4.237) 12.561 5.501 ( -6.560 -1.130 -3.221) 7.395 5.780 ( -1.760 -8.165 -0.103) 8.353 5.925 ( -2.591 6.813 -3.949) 8.290 5.977 ( -6.773 -0.975 0.290) 6.849 6.071 ( -5.874 1.031 -3.904) 7.128 6.182 ( -1.155 -3.855 -7.814) 8.790 7.033 ( -6.028 -1.198 13.780) 15.089 7.248 ( 2.884 -0.233 15.714) 15.979 7.320 ( -3.320 -2.268 1.768) 4.392 7.888 ( 2.173 1.321 6.861) 7.318 8.568 ( 9.120 3.660 7.263) 12.220 9.087 ( -5.863 -3.290 -5.802) 8.881 9.443 ( -1.110 1.495 -5.910) 6.196 9.699 ( 1.195 -1.882 -7.675) 7.992 ======================= Grid point 74 (69/135) ======================= q-point: ( 0.30 0.15 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.653 ( 2.783 3.437 12.647) 13.398 1.824 ( 5.338 1.812 3.567) 6.671 2.270 ( -4.439 0.093 -3.093) 5.411 2.404 ( -5.036 -0.346 -9.217) 10.509 2.633 ( -2.076 -1.180 6.190) 6.635 2.777 ( -7.263 -2.976 -3.934) 8.780 3.020 ( -12.871 0.376 6.147) 14.269 3.159 ( -8.557 1.795 -6.547) 10.923 3.185 ( -10.183 -3.909 2.439) 11.177 3.252 ( -11.567 -3.787 -2.919) 12.516 3.654 ( -1.599 3.893 -1.840) 4.594 3.706 ( -0.104 -3.028 0.025) 3.030 3.944 ( -1.487 6.985 -0.354) 7.151 4.023 ( -3.386 -0.276 -0.151) 3.401 5.032 ( 6.212 6.597 4.212) 9.992 5.261 ( 5.083 -6.116 -4.683) 9.229 5.371 ( 11.035 -3.123 3.710) 12.054 5.394 ( 14.266 0.551 -3.479) 14.694 5.786 ( 3.615 -0.761 1.370) 3.940 5.797 ( 3.445 0.331 -1.913) 3.954 6.068 ( 1.849 2.312 -0.828) 3.074 6.108 ( 1.107 -1.357 -1.644) 2.402 7.215 ( 4.007 1.866 3.420) 5.589 7.312 ( 3.064 -2.370 -2.259) 4.485 7.988 ( -3.082 -1.936 4.584) 5.853 8.031 ( -1.376 -3.690 2.083) 4.455 8.786 ( -3.855 6.436 5.846) 9.511 8.972 ( -1.161 -3.406 -5.041) 6.194 9.318 ( -0.283 -0.640 1.406) 1.570 9.375 ( -0.169 1.874 -6.072) 6.356 ======================= Grid point 75 (70/135) ======================= q-point: (-0.10 -0.23 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.159 ( -10.344 -0.000 -15.567) 18.691 1.308 ( -0.381 -0.000 -19.547) 19.551 2.287 ( -10.218 -0.000 -27.597) 29.428 2.501 ( -1.295 0.000 7.843) 7.949 2.508 ( -1.126 -0.000 -1.597) 1.954 3.068 ( 11.359 0.000 10.421) 15.415 3.337 ( 2.229 0.000 13.042) 13.231 3.347 ( 16.940 -0.000 -0.977) 16.968 3.607 ( 7.572 -0.000 -1.036) 7.642 3.683 ( -0.015 0.000 5.151) 5.151 3.705 ( 6.784 0.000 8.624) 10.972 3.888 ( -0.124 0.000 3.877) 3.879 3.919 ( 16.143 -0.000 0.136) 16.144 4.000 ( 18.200 -0.000 -5.422) 18.991 4.799 ( -3.235 0.000 1.082) 3.411 5.034 ( -14.316 0.000 -5.498) 15.336 5.117 ( -15.413 0.000 1.304) 15.468 5.257 ( -20.109 0.000 0.280) 20.111 5.738 ( -0.730 0.000 1.326) 1.513 5.824 ( -1.992 0.000 5.702) 6.040 6.009 ( 0.564 0.000 3.090) 3.141 6.194 ( -0.390 0.000 4.167) 4.185 7.071 ( -1.677 -0.000 -2.537) 3.041 7.359 ( -0.963 0.000 0.640) 1.157 7.998 ( 1.683 -0.000 -6.195) 6.420 8.377 ( -1.422 -0.000 -4.993) 5.192 8.432 ( 16.114 -0.000 -8.572) 18.252 9.006 ( -10.728 0.000 6.569) 12.579 9.366 ( -0.559 0.000 6.457) 6.481 9.432 ( 2.530 -0.000 -0.556) 2.590 ======================= Grid point 78 (71/135) ======================= q-point: ( 0.69 -0.36 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.583 ( -0.231 4.636 9.184) 10.290 1.772 ( 0.715 -0.166 4.309) 4.371 2.262 ( -6.193 -1.270 9.764) 11.632 2.392 ( 4.552 -1.301 -3.433) 5.848 2.501 ( -1.104 -4.099 -8.741) 9.718 2.697 ( 7.634 -1.297 10.696) 13.205 2.845 ( 17.693 -0.022 3.083) 17.960 2.924 ( 9.849 -3.197 2.848) 10.739 3.360 ( 1.443 1.733 -2.886) 3.663 3.428 ( 7.731 1.887 -1.979) 8.201 3.715 ( 1.505 1.741 -4.401) 4.966 3.877 ( 1.626 -3.336 -4.201) 5.605 3.996 ( 7.972 5.123 -9.087) 13.129 4.159 ( 6.391 -0.144 -5.316) 8.314 5.078 ( -9.705 -2.577 -3.282) 10.564 5.169 ( -7.615 0.662 7.229) 10.521 5.313 ( -5.412 5.545 -0.303) 7.755 5.560 ( -13.889 -0.312 -5.296) 14.868 5.828 ( -3.288 2.630 -2.484) 4.889 5.889 ( -3.137 1.527 -0.992) 3.627 5.927 ( -4.032 -4.166 2.964) 6.512 6.068 ( -1.697 -3.928 -2.512) 4.962 7.136 ( -4.473 -0.041 8.845) 9.912 7.239 ( -3.270 -2.113 -0.580) 3.936 7.662 ( 4.218 -0.645 16.029) 16.587 8.072 ( 2.497 3.624 7.236) 8.469 8.789 ( -1.772 1.268 -0.449) 2.225 8.957 ( 6.095 -3.255 -0.404) 6.922 9.314 ( -1.080 0.485 -4.716) 4.863 9.549 ( -0.627 -0.926 -7.735) 7.816 ======================= Grid point 79 (72/135) ======================= q-point: (-0.71 0.27 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.785 ( 6.899 -1.389 -11.104) 13.146 1.935 ( 7.469 1.332 2.582) 8.014 2.196 ( -3.853 -0.543 -0.159) 3.894 2.270 ( -8.241 0.836 3.635) 9.046 2.513 ( -6.624 5.005 1.854) 8.507 2.595 ( -11.056 -0.011 1.803) 11.202 2.793 ( -1.343 0.593 -9.764) 9.874 2.929 ( -6.360 4.193 -5.854) 9.608 3.040 ( -5.728 -5.945 7.180) 10.941 3.153 ( -6.118 -6.881 5.436) 10.692 3.658 ( 0.257 0.415 0.005) 0.488 3.706 ( -0.965 -1.367 2.928) 3.373 3.932 ( -0.108 4.623 -0.736) 4.683 4.017 ( -1.196 1.354 4.578) 4.922 5.193 ( 2.891 0.077 -3.617) 4.631 5.292 ( 2.487 0.753 5.530) 6.110 5.486 ( 7.104 -1.174 -8.366) 11.038 5.644 ( 6.777 -3.632 4.997) 9.170 5.845 ( 3.821 1.402 -0.555) 4.108 5.903 ( 4.132 -2.087 2.020) 5.050 6.071 ( -0.121 2.804 -0.410) 2.836 6.105 ( -0.307 0.722 0.814) 1.131 7.325 ( 3.262 -1.197 -3.534) 4.956 7.340 ( 3.680 1.989 1.292) 4.378 7.884 ( -1.427 1.478 -10.240) 10.444 8.030 ( -1.774 -3.148 0.593) 3.662 8.793 ( -3.615 -2.809 -7.245) 8.571 8.884 ( -0.350 2.863 7.336) 7.882 9.294 ( 0.266 1.126 -1.193) 1.662 9.396 ( -0.773 -0.081 7.120) 7.162 ======================= Grid point 80 (73/135) ======================= q-point: (-0.11 -0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.705 ( -0.000 -0.000 -18.266) 18.266 0.932 ( -0.000 -0.000 -22.230) 22.230 1.456 ( -0.000 -0.000 -37.882) 37.882 2.449 ( -0.000 -0.000 -1.754) 1.754 2.677 ( 0.000 0.000 9.484) 9.484 3.365 ( 0.000 0.000 7.082) 7.082 3.586 ( -0.000 -0.000 -4.302) 4.302 3.586 ( 0.000 0.000 9.849) 9.849 3.591 ( 0.000 0.000 0.905) 0.905 3.690 ( 0.000 0.000 0.470) 0.470 3.963 ( 0.000 0.000 9.182) 9.182 4.005 ( 0.000 0.000 5.522) 5.522 4.185 ( 0.000 0.000 0.173) 0.173 4.230 ( -0.000 -0.000 -0.302) 0.302 4.746 ( -0.000 -0.000 -5.384) 5.384 4.777 ( -0.000 -0.000 -0.448) 0.448 4.884 ( -0.000 -0.000 -3.662) 3.662 4.949 ( 0.000 0.000 1.549) 1.549 5.811 ( 0.000 0.000 5.738) 5.738 5.921 ( 0.000 0.000 6.106) 6.106 6.088 ( 0.000 0.000 4.090) 4.090 6.257 ( 0.000 0.000 3.027) 3.027 7.010 ( -0.000 -0.000 -2.457) 2.457 7.341 ( -0.000 -0.000 -1.429) 1.429 7.871 ( -0.000 -0.000 -7.916) 7.916 8.291 ( -0.000 -0.000 -3.050) 3.050 8.551 ( -0.000 -0.000 -8.144) 8.144 8.926 ( 0.000 0.000 6.867) 6.867 9.429 ( -0.000 -0.000 -1.715) 1.715 9.476 ( 0.000 0.000 5.531) 5.531 ======================= Grid point 81 (74/135) ======================= q-point: ( 0.49 -0.49 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.297 ( -7.076 3.369 -0.000) 7.837 1.590 ( -11.000 3.599 -0.000) 11.574 2.028 ( 14.325 -4.388 0.000) 14.982 2.232 ( -8.247 -6.894 0.000) 10.749 2.310 ( 5.598 0.696 -0.000) 5.641 2.437 ( -1.452 -3.342 0.000) 3.644 2.935 ( 9.359 -1.230 0.000) 9.440 3.054 ( 1.151 0.850 -0.000) 1.431 3.230 ( 3.504 1.179 -0.000) 3.697 3.486 ( 0.721 6.386 -0.000) 6.427 3.808 ( 5.254 -1.866 0.000) 5.576 3.899 ( -1.859 -2.277 0.000) 2.939 4.133 ( 4.530 6.201 -0.000) 7.680 4.357 ( -1.954 0.794 -0.000) 2.109 4.982 ( 2.043 2.514 -0.000) 3.239 4.989 ( -1.491 1.006 -0.000) 1.799 5.609 ( 0.393 -1.957 0.000) 1.996 5.850 ( -5.504 5.269 -0.000) 7.619 5.938 ( -7.146 -1.410 0.000) 7.284 6.101 ( -2.846 -8.741 0.000) 9.193 6.193 ( -6.325 -0.371 -0.000) 6.336 6.636 ( -0.478 -1.044 0.000) 1.149 6.636 ( -0.452 -0.861 0.000) 0.973 6.683 ( -0.478 -0.106 0.000) 0.490 7.336 ( -2.974 -1.931 0.000) 3.546 7.716 ( 2.295 1.464 -0.000) 2.723 8.318 ( 7.000 4.772 -0.000) 8.472 9.279 ( -4.481 -4.258 0.000) 6.182 9.543 ( -1.644 1.359 -0.000) 2.133 9.893 ( 1.390 -1.067 0.000) 1.752 ======================= Grid point 83 (75/135) ======================= q-point: (-0.32 -0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.672 ( -2.024 -3.940 -3.886) 5.892 1.799 ( -0.796 -0.019 -1.576) 1.766 2.326 ( 1.197 -3.209 -5.064) 6.114 2.414 ( 6.147 1.780 7.663) 9.983 2.540 ( -0.847 -0.828 13.863) 13.913 2.927 ( 2.714 4.389 -2.631) 5.793 3.185 ( 8.355 -2.981 10.526) 13.765 3.286 ( 14.112 -2.154 -0.932) 14.306 3.420 ( 3.710 1.879 1.101) 4.302 3.470 ( 5.318 -1.143 -5.038) 7.414 3.640 ( 1.865 0.773 -4.809) 5.216 3.890 ( 2.981 2.254 -1.653) 4.087 3.940 ( 4.568 -0.698 -4.501) 6.451 4.234 ( 8.614 3.804 -3.515) 10.051 4.829 ( -7.046 -5.275 -0.769) 8.836 5.067 ( -11.600 2.124 1.821) 11.933 5.152 ( -14.015 -0.127 -1.936) 14.149 5.249 ( -5.481 3.511 -1.775) 6.746 5.706 ( -3.081 -0.322 -0.015) 3.097 5.819 ( -2.486 2.383 -4.217) 5.444 5.922 ( -1.680 -4.517 3.356) 5.872 6.037 ( -1.555 -0.931 2.891) 3.412 7.167 ( -1.659 -1.997 -1.804) 3.162 7.215 ( -1.845 1.065 6.146) 6.505 7.975 ( 2.865 0.976 8.361) 8.892 8.232 ( 1.615 8.662 4.014) 9.683 8.698 ( -1.186 -8.577 -0.182) 8.661 9.047 ( 2.209 -0.448 -4.701) 5.213 9.246 ( -0.458 -1.214 -0.508) 1.393 9.446 ( 1.156 1.722 -2.163) 2.997 ======================= Grid point 84 (76/135) ======================= q-point: ( 0.28 -0.62 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.800 ( 4.821 0.410 -10.302) 11.382 1.880 ( -5.892 -1.417 -5.675) 8.303 2.090 ( 2.050 0.819 -1.462) 2.648 2.170 ( -1.214 0.376 -2.392) 2.709 2.501 ( 2.284 1.913 10.206) 10.632 2.633 ( -3.515 3.933 1.676) 5.535 2.728 ( 7.067 -4.054 -3.002) 8.683 2.797 ( 1.270 0.597 0.466) 1.478 2.970 ( -3.136 -6.719 -3.059) 8.021 3.259 ( -1.289 0.590 10.184) 10.282 3.637 ( -1.198 -0.963 1.062) 1.868 3.781 ( 0.153 0.119 3.960) 3.965 3.935 ( -0.325 3.697 1.571) 4.030 4.103 ( -1.413 4.175 6.198) 7.606 5.109 ( -1.744 -0.340 -4.450) 4.792 5.357 ( 1.661 -0.136 -7.716) 7.894 5.460 ( 0.453 -4.014 2.534) 4.768 5.800 ( -0.369 -1.816 4.144) 4.540 5.894 ( 0.463 1.520 0.572) 1.689 5.989 ( -1.308 0.090 3.071) 3.339 6.093 ( 2.068 -0.914 1.530) 2.730 6.141 ( -0.018 1.910 3.685) 4.151 7.275 ( -0.539 0.097 -5.435) 5.462 7.401 ( 1.086 0.608 0.060) 1.246 7.599 ( 1.650 -1.078 -17.876) 17.984 7.972 ( -0.167 -0.318 -4.935) 4.948 8.557 ( -2.230 -0.636 -8.951) 9.247 9.066 ( 1.667 0.289 8.256) 8.428 9.330 ( 0.059 -0.314 4.035) 4.048 9.540 ( -0.649 1.340 9.019) 9.141 ======================= Grid point 86 (77/135) ======================= q-point: ( 0.48 -0.37 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.214 ( -4.950 10.979 1.171) 12.100 1.433 ( -8.515 7.929 7.507) 13.847 2.037 ( -4.167 -7.907 4.578) 10.042 2.325 ( -1.630 -6.038 5.366) 8.241 2.466 ( 8.783 -1.469 4.267) 9.874 2.608 ( 9.953 -0.943 3.805) 10.697 2.983 ( 4.221 -0.612 -5.356) 6.847 3.095 ( 9.980 -4.087 -5.890) 12.288 3.359 ( 9.128 2.339 1.831) 9.599 3.501 ( -0.240 0.849 -0.837) 1.216 3.835 ( -0.463 -2.926 -1.752) 3.442 3.883 ( 2.007 6.868 0.237) 7.160 4.248 ( 7.085 3.821 -4.749) 9.346 4.264 ( 0.774 5.097 -3.851) 6.435 4.944 ( -4.686 0.969 2.686) 5.488 5.057 ( 1.466 2.143 1.216) 2.867 5.459 ( -14.046 -7.971 -3.006) 16.427 5.671 ( -12.147 7.571 -2.320) 14.500 5.828 ( 0.689 1.702 -1.733) 2.525 5.980 ( -6.597 -5.070 -2.410) 8.662 6.057 ( -1.970 -6.717 -2.785) 7.534 6.364 ( -2.732 -0.046 -10.907) 11.244 6.773 ( -0.586 -3.766 9.686) 10.409 6.978 ( 1.452 -0.977 19.213) 19.292 7.284 ( -2.823 -2.592 0.929) 3.944 7.795 ( 1.839 2.031 3.563) 4.495 8.526 ( 8.316 8.015 4.151) 12.273 9.180 ( -1.462 -6.588 -2.343) 7.144 9.471 ( -2.032 1.258 -3.082) 3.900 9.846 ( -2.011 -1.909 -4.959) 5.682 ======================= Grid point 88 (78/135) ======================= q-point: (-0.32 -0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.454 ( -0.000 -8.846 -13.470) 16.115 1.658 ( -0.000 -4.226 -11.321) 12.084 2.347 ( 0.000 -1.554 5.129) 5.359 2.526 ( -0.000 1.925 -3.424) 3.929 2.779 ( -0.000 5.989 -18.337) 19.290 2.932 ( 0.000 1.137 21.253) 21.284 3.125 ( -0.000 -7.830 -4.969) 9.274 3.483 ( 0.000 5.778 1.554) 5.983 3.498 ( 0.000 1.077 6.734) 6.820 3.614 ( 0.000 -1.153 7.219) 7.311 3.716 ( 0.000 2.858 1.278) 3.131 3.799 ( 0.000 1.460 -0.430) 1.522 4.102 ( 0.000 -2.227 4.126) 4.688 4.294 ( 0.000 2.994 -1.527) 3.361 4.793 ( 0.000 -1.549 1.013) 1.851 4.877 ( -0.000 1.826 -1.708) 2.500 4.952 ( -0.000 -3.275 -2.465) 4.099 5.110 ( -0.000 -0.086 -4.689) 4.689 5.718 ( 0.000 -0.887 3.629) 3.736 5.719 ( -0.000 1.196 -2.081) 2.400 5.970 ( 0.000 -2.163 3.097) 3.778 6.090 ( 0.000 1.660 3.873) 4.214 7.108 ( -0.000 -1.226 -2.550) 2.829 7.292 ( 0.000 1.708 3.518) 3.910 8.074 ( 0.000 1.823 -0.722) 1.961 8.252 ( 0.000 12.548 -3.123) 12.931 8.784 ( 0.000 -12.298 7.837) 14.583 8.908 ( -0.000 -1.336 -8.600) 8.703 9.272 ( 0.000 -1.536 3.652) 3.962 9.452 ( 0.000 2.815 -0.537) 2.866 ======================= Grid point 90 (79/135) ======================= q-point: (-0.13 0.13 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.879 ( 18.936 -0.000 0.000) 18.936 0.990 ( 23.178 -0.000 0.000) 23.178 1.693 ( 40.938 -0.000 0.000) 40.938 2.444 ( -8.388 0.000 -0.000) 8.388 2.516 ( 3.329 -0.000 0.000) 3.329 2.981 ( -31.278 0.000 -0.000) 31.278 3.056 ( 3.668 -0.000 0.000) 3.668 3.225 ( -12.794 0.000 -0.000) 12.794 3.226 ( -8.439 0.000 -0.000) 8.439 3.263 ( -20.390 0.000 -0.000) 20.390 3.911 ( -8.295 0.000 -0.000) 8.295 3.964 ( -0.687 0.000 -0.000) 0.687 4.102 ( -3.393 0.000 -0.000) 3.393 4.169 ( 7.746 -0.000 0.000) 7.746 4.887 ( 4.825 -0.000 0.000) 4.825 4.998 ( 13.690 -0.000 0.000) 13.690 5.638 ( 10.222 -0.000 0.000) 10.222 5.998 ( 6.750 -0.000 0.000) 6.750 6.010 ( -6.291 0.000 -0.000) 6.291 6.139 ( 2.251 -0.000 0.000) 2.251 6.289 ( -2.738 0.000 -0.000) 2.738 6.430 ( 2.130 -0.000 0.000) 2.130 6.482 ( 1.345 -0.000 0.000) 1.345 6.913 ( -1.686 0.000 -0.000) 1.686 7.338 ( 1.910 -0.000 0.000) 1.910 7.663 ( -0.831 0.000 -0.000) 0.831 8.196 ( -0.944 0.000 -0.000) 0.944 9.418 ( 0.612 -0.000 0.000) 0.612 9.655 ( 2.975 -0.000 0.000) 2.975 9.702 ( -2.213 0.000 -0.000) 2.213 ======================= Grid point 91 (80/135) ======================= q-point: ( 0.47 -0.25 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.313 ( 4.341 9.375 11.779) 15.667 1.504 ( -3.849 11.510 11.059) 16.420 2.017 ( -6.864 -0.769 4.738) 8.376 2.477 ( 1.788 -4.408 5.923) 7.597 2.656 ( 5.139 -1.673 -1.004) 5.497 2.758 ( -0.586 -7.605 5.476) 9.390 3.096 ( 6.982 -2.705 5.382) 9.221 3.235 ( 13.319 0.253 -4.735) 14.138 3.411 ( -1.549 -4.418 -6.002) 7.612 3.604 ( 12.183 1.327 0.274) 12.259 3.842 ( 3.068 -2.028 -1.436) 3.949 3.923 ( 1.749 4.385 -2.909) 5.545 4.169 ( 2.457 4.049 -1.342) 4.923 4.336 ( 10.769 3.874 -9.796) 15.064 4.870 ( -12.251 -1.256 3.597) 12.830 5.032 ( -4.805 -0.753 -0.845) 4.936 5.123 ( -9.164 3.658 -0.406) 9.875 5.322 ( -14.880 3.937 -3.870) 15.872 5.766 ( -2.411 1.974 -3.052) 4.362 5.897 ( 2.305 -2.368 -2.174) 3.955 5.991 ( -0.444 -7.986 -1.767) 8.191 6.133 ( -4.662 -1.038 -5.950) 7.630 6.924 ( -1.316 -2.138 8.294) 8.665 7.242 ( -1.217 -2.481 1.260) 3.038 7.432 ( 2.513 -4.352 19.364) 20.005 7.914 ( 0.943 2.956 5.748) 6.532 8.701 ( 1.051 4.212 3.307) 5.457 9.207 ( 8.332 -4.568 -2.045) 9.719 9.369 ( -0.560 1.072 -4.549) 4.707 9.630 ( -7.126 -0.992 -6.967) 10.015 ======================= Grid point 95 (81/135) ======================= q-point: (-0.13 0.24 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.285 ( 14.159 0.000 7.506) 16.026 1.422 ( 20.061 -0.000 1.706) 20.133 2.319 ( -6.098 0.000 3.541) 7.052 2.345 ( -30.545 0.000 0.803) 30.556 2.528 ( 23.136 -0.000 6.889) 24.140 2.570 ( -0.005 0.000 1.467) 1.467 2.901 ( -11.489 0.000 -3.005) 11.875 3.000 ( -11.404 0.000 3.729) 11.998 3.092 ( -2.407 -0.000 -1.346) 2.758 3.099 ( -0.397 -0.000 -0.486) 0.627 3.705 ( -6.002 -0.000 -4.063) 7.248 3.955 ( 3.506 -0.000 -4.899) 6.025 3.994 ( -3.617 -0.000 -3.305) 4.899 4.219 ( 4.763 -0.000 -7.477) 8.865 4.995 ( 3.728 0.000 1.655) 4.079 5.265 ( 7.094 0.000 5.317) 8.866 5.704 ( -0.029 -0.000 -0.616) 0.616 5.733 ( -2.120 -0.000 -10.428) 10.641 6.092 ( 0.870 -0.000 -4.934) 5.010 6.094 ( 2.229 -0.000 -4.055) 4.627 6.163 ( 6.464 -0.000 -4.255) 7.738 6.384 ( -0.401 -0.000 -6.405) 6.417 6.911 ( -5.527 0.000 23.490) 24.131 6.967 ( -3.397 0.000 12.079) 12.547 7.375 ( 0.233 0.000 1.027) 1.053 7.708 ( 0.460 0.000 5.064) 5.085 8.236 ( 1.930 0.000 3.905) 4.356 9.379 ( -3.321 -0.000 -2.414) 4.106 9.595 ( -0.090 -0.000 -6.430) 6.431 9.681 ( 3.434 -0.000 -4.153) 5.389 ======================= Grid point 96 (82/135) ======================= q-point: ( 0.47 -0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 207 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.627 ( 0.000 4.291 10.602) 11.437 1.659 ( 0.000 10.379 7.282) 12.678 2.124 ( 0.000 -2.445 17.622) 17.791 2.532 ( -0.000 0.208 -7.805) 7.808 2.537 ( -0.000 -6.187 -2.994) 6.874 2.979 ( 0.000 -5.350 8.113) 9.718 3.223 ( -0.000 -4.903 -5.133) 7.098 3.322 ( 0.000 3.176 3.017) 4.380 3.375 ( 0.000 -1.913 7.026) 7.282 3.754 ( -0.000 6.706 -3.946) 7.781 3.756 ( -0.000 -0.824 -9.162) 9.199 3.880 ( -0.000 0.282 -0.476) 0.553 4.195 ( -0.000 -5.661 -11.406) 12.734 4.279 ( 0.000 3.735 -1.727) 4.115 4.740 ( 0.000 -2.125 3.729) 4.292 4.919 ( -0.000 3.277 -3.055) 4.480 5.078 ( -0.000 -0.181 -0.491) 0.523 5.108 ( 0.000 6.574 0.848) 6.628 5.697 ( -0.000 0.085 -1.426) 1.428 5.860 ( -0.000 1.268 -5.788) 5.926 5.969 ( -0.000 -6.447 0.142) 6.449 6.008 ( -0.000 -2.262 -0.295) 2.282 7.053 ( 0.000 0.047 6.959) 6.959 7.231 ( -0.000 -3.120 -0.913) 3.251 7.791 ( 0.000 -2.977 14.458) 14.761 8.036 ( 0.000 4.135 5.544) 6.916 8.756 ( 0.000 -2.540 3.186) 4.074 9.245 ( -0.000 1.767 -9.904) 10.060 9.301 ( -0.000 -3.652 -0.923) 3.767 9.426 ( -0.000 2.209 -2.009) 2.985 ======================= Grid point 99 (83/135) ======================= q-point: ( 0.26 -0.26 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.848 ( -5.106 17.996 -0.000) 18.706 0.880 ( -13.263 14.229 -0.000) 19.452 1.735 ( -13.756 26.227 -0.000) 29.615 2.286 ( -2.829 -6.225 0.000) 6.838 2.702 ( 8.277 2.720 -0.000) 8.712 2.722 ( 5.407 -17.253 0.000) 18.080 2.982 ( -5.033 0.768 -0.000) 5.091 3.429 ( 7.335 1.209 -0.000) 7.434 3.569 ( 13.318 -4.202 0.000) 13.965 3.676 ( 16.542 -3.478 0.000) 16.904 3.879 ( -4.412 -4.929 0.000) 6.615 3.966 ( 9.848 -2.865 0.000) 10.256 4.220 ( -1.536 1.832 -0.000) 2.391 4.359 ( 12.729 12.376 -0.000) 17.753 4.749 ( -9.664 1.804 -0.000) 9.831 4.969 ( -5.796 2.184 -0.000) 6.193 5.184 ( -21.924 -1.575 -0.000) 21.980 5.341 ( -17.356 0.580 -0.000) 17.365 5.905 ( -6.021 -4.125 0.000) 7.299 6.048 ( 6.842 -5.055 0.000) 8.507 6.224 ( -1.280 -6.914 0.000) 7.032 6.519 ( -1.007 2.975 -0.000) 3.141 6.597 ( 0.451 1.797 -0.000) 1.852 6.807 ( 0.732 -5.728 0.000) 5.774 7.266 ( -1.709 -1.982 0.000) 2.616 7.747 ( 0.984 2.758 -0.000) 2.929 8.465 ( 5.278 8.428 -0.000) 9.944 9.327 ( 2.307 -3.934 0.000) 4.560 9.474 ( 1.680 -0.964 0.000) 1.937 9.874 ( -5.092 -2.617 0.000) 5.726 ======================= Grid point 100 (84/135) ======================= q-point: (-0.14 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 219 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.619 ( -2.124 0.000 8.587) 8.846 1.823 ( 9.933 0.000 5.580) 11.393 2.007 ( -0.975 0.000 5.626) 5.710 2.128 ( -9.602 0.000 -2.815) 10.006 2.554 ( -11.847 0.000 4.102) 12.537 2.580 ( -0.210 -0.000 -0.202) 0.291 2.812 ( 1.125 -0.000 -8.898) 8.969 2.829 ( -10.347 0.000 0.884) 10.385 3.157 ( 5.889 0.000 2.387) 6.355 3.291 ( 12.854 -0.000 -0.824) 12.881 3.624 ( 3.954 -0.000 1.034) 4.087 3.869 ( -2.005 -0.000 -3.343) 3.898 3.889 ( 3.103 -0.000 -8.839) 9.368 4.113 ( 3.356 -0.000 -10.609) 11.127 5.083 ( 2.789 0.000 1.649) 3.240 5.414 ( -0.438 0.000 1.284) 1.357 5.612 ( -3.474 0.000 1.425) 3.754 5.685 ( -1.179 0.000 1.130) 1.633 6.017 ( -1.322 -0.000 -2.555) 2.876 6.039 ( 1.501 -0.000 -3.849) 4.131 6.136 ( -0.091 -0.000 -6.049) 6.050 6.205 ( -3.939 -0.000 -6.667) 7.744 7.131 ( -1.017 0.000 9.638) 9.691 7.234 ( -5.745 0.000 22.328) 23.055 7.369 ( -2.819 0.000 0.812) 2.934 7.854 ( 1.963 0.000 7.154) 7.418 8.434 ( 6.808 0.000 7.497) 10.127 9.191 ( -6.476 -0.000 -6.171) 8.945 9.474 ( 0.057 -0.000 -6.703) 6.703 9.630 ( 3.041 -0.000 -7.716) 8.294 ======================= Grid point 104 (85/135) ======================= q-point: ( 0.26 -0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.910 ( 0.000 14.568 15.616) 21.356 0.932 ( 0.000 16.334 11.867) 20.189 1.608 ( 0.000 30.392 3.800) 30.629 2.372 ( 0.000 -4.403 7.862) 9.011 2.793 ( -0.000 -7.380 -1.439) 7.519 2.875 ( -0.000 -11.709 2.791) 12.037 3.024 ( 0.000 -5.764 15.590) 16.621 3.459 ( -0.000 -0.529 -5.472) 5.498 3.665 ( -0.000 -6.803 -7.358) 10.021 3.809 ( -0.000 -3.552 0.864) 3.655 3.845 ( 0.000 -2.873 1.826) 3.405 4.116 ( -0.000 -0.234 -7.873) 7.877 4.304 ( -0.000 -0.829 -0.976) 1.281 4.460 ( 0.000 9.854 -1.411) 9.954 4.567 ( 0.000 -3.093 6.177) 6.908 4.940 ( 0.000 7.398 -1.911) 7.641 4.978 ( 0.000 6.615 1.165) 6.716 5.004 ( 0.000 2.448 -0.863) 2.596 5.810 ( -0.000 -3.021 -2.819) 4.132 6.119 ( -0.000 -5.402 -4.851) 7.261 6.155 ( -0.000 -2.070 -3.340) 3.929 6.189 ( -0.000 0.947 -10.252) 10.296 6.859 ( 0.000 -4.752 4.237) 6.366 7.107 ( 0.000 -9.077 25.752) 27.305 7.281 ( 0.000 -3.424 4.858) 5.944 7.789 ( 0.000 2.462 3.364) 4.168 8.556 ( 0.000 6.059 3.649) 7.073 9.354 ( -0.000 -1.460 0.146) 1.468 9.534 ( -0.000 -1.494 -2.345) 2.780 9.638 ( -0.000 0.032 -11.169) 11.169 ======================= Grid point 105 (86/135) ======================= q-point: (-0.15 0.48 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.704 ( -0.326 0.000 9.185) 9.191 1.756 ( -10.092 0.000 3.938) 10.833 2.250 ( 8.441 -0.000 3.054) 8.976 2.372 ( 16.298 -0.000 2.840) 16.544 2.409 ( -6.466 0.000 -1.176) 6.572 2.478 ( 1.673 -0.000 -7.634) 7.815 2.747 ( 4.299 -0.000 0.635) 4.346 2.755 ( -3.983 0.000 8.551) 9.433 3.305 ( 6.109 -0.000 -1.490) 6.288 3.355 ( 2.473 -0.000 -2.198) 3.309 3.757 ( -0.373 -0.000 -1.125) 1.185 3.779 ( 1.714 -0.000 -6.433) 6.657 3.856 ( 12.246 -0.000 -4.300) 12.979 3.987 ( 4.367 -0.000 -10.031) 10.941 5.192 ( 2.123 0.000 4.057) 4.579 5.269 ( -8.442 -0.000 -5.791) 10.237 5.567 ( -8.634 0.000 5.124) 10.040 5.681 ( -4.113 0.000 0.780) 4.186 5.968 ( -1.204 -0.000 -6.251) 6.366 5.971 ( -6.090 0.000 -1.585) 6.293 5.987 ( -0.522 0.000 0.896) 1.037 6.021 ( -3.783 -0.000 -2.412) 4.487 7.237 ( -4.847 0.000 8.147) 9.479 7.300 ( -4.571 0.000 -0.032) 4.572 7.587 ( 1.771 0.000 17.596) 17.685 8.043 ( 3.348 0.000 7.047) 7.802 8.745 ( 8.831 0.000 7.339) 11.483 8.926 ( -6.667 -0.000 -7.359) 9.930 9.342 ( -0.944 -0.000 -5.653) 5.731 9.518 ( 2.002 -0.000 -8.704) 8.931 ======================= Grid point 108 (87/135) ======================= q-point: (-0.35 0.35 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.436 ( 3.037 -0.737 0.000) 3.125 1.686 ( 5.334 -1.008 0.000) 5.428 1.826 ( -8.184 2.746 -0.000) 8.632 2.213 ( 1.337 0.513 -0.000) 1.432 2.456 ( -16.674 -0.708 -0.000) 16.689 2.483 ( -5.417 -0.977 0.000) 5.504 2.835 ( 1.448 2.612 -0.000) 2.986 3.064 ( 1.222 2.749 -0.000) 3.008 3.167 ( 1.770 -2.080 0.000) 2.731 3.268 ( 21.151 -7.336 0.000) 22.387 3.669 ( -2.318 -3.826 0.000) 4.473 3.940 ( -3.438 0.551 -0.000) 3.482 4.114 ( 5.062 0.472 0.000) 5.084 4.368 ( 1.404 -0.284 0.000) 1.432 5.005 ( 0.235 0.169 -0.000) 0.289 5.165 ( -1.286 12.210 -0.000) 12.278 5.637 ( -1.619 2.435 -0.000) 2.925 5.839 ( -1.758 -6.502 0.000) 6.736 6.064 ( -0.206 4.908 -0.000) 4.912 6.118 ( -5.147 -0.389 -0.000) 5.162 6.305 ( -3.298 0.599 -0.000) 3.352 6.552 ( 1.461 -6.143 0.000) 6.315 6.561 ( 1.511 -2.318 0.000) 2.767 6.787 ( -2.696 3.375 -0.000) 4.319 7.357 ( -1.974 -1.252 0.000) 2.337 7.686 ( 2.099 0.229 -0.000) 2.112 8.251 ( 4.858 1.411 -0.000) 5.059 9.328 ( -4.937 -1.182 0.000) 5.076 9.600 ( -0.302 2.816 -0.000) 2.832 9.826 ( 1.751 -2.954 0.000) 3.434 ======================= Grid point 110 (88/135) ======================= q-point: (-0.15 -0.40 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 219 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.724 ( -5.729 0.000 0.461) 5.748 1.829 ( -2.263 0.000 0.447) 2.307 2.253 ( 2.924 -0.000 -7.089) 7.668 2.284 ( 7.004 -0.000 0.790) 7.049 2.528 ( 1.254 0.000 11.062) 11.133 2.899 ( 20.657 -0.000 1.488) 20.711 2.922 ( 5.165 0.000 4.034) 6.554 2.963 ( 7.305 0.000 10.174) 12.525 3.320 ( 5.095 -0.000 -7.225) 8.841 3.403 ( 2.613 0.000 2.894) 3.899 3.687 ( -2.279 -0.000 -4.030) 4.630 3.742 ( 3.906 -0.000 -1.385) 4.144 3.920 ( 4.818 -0.000 -6.679) 8.236 4.005 ( 13.818 -0.000 -7.402) 15.676 4.955 ( -10.464 -0.000 -4.493) 11.388 5.261 ( -3.888 0.000 3.066) 4.951 5.455 ( -11.712 0.000 4.311) 12.480 5.465 ( -14.216 0.000 -2.680) 14.466 5.801 ( -5.372 0.000 -1.938) 5.711 5.908 ( -2.945 -0.000 -4.459) 5.344 5.909 ( -2.240 0.000 2.997) 3.742 6.035 ( -0.234 0.000 3.946) 3.953 7.202 ( -3.902 0.000 -1.125) 4.061 7.280 ( -3.627 0.000 5.737) 6.788 7.915 ( 3.585 0.000 9.833) 10.466 8.252 ( 5.482 0.000 5.772) 7.961 8.672 ( -4.987 -0.000 -6.817) 8.446 8.987 ( 4.115 0.000 2.377) 4.752 9.249 ( -0.776 -0.000 -1.642) 1.816 9.417 ( 2.434 -0.000 -4.833) 5.411 ======================= Grid point 111 (89/135) ======================= q-point: (-0.55 0.22 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.569 ( 13.172 0.431 -10.120) 16.616 1.828 ( 8.561 -3.361 -9.424) 13.168 2.264 ( -16.717 1.102 1.818) 16.851 2.326 ( -9.049 1.554 3.820) 9.944 2.551 ( 3.978 1.313 -3.858) 5.694 2.607 ( -6.875 -1.521 3.655) 7.933 2.823 ( -3.206 4.065 3.895) 6.479 2.896 ( -8.327 6.405 -6.334) 12.267 3.052 ( -11.109 0.451 -0.296) 11.122 3.245 ( -0.271 -3.156 8.521) 9.091 3.645 ( -2.120 -1.676 2.160) 3.460 3.772 ( 1.267 0.271 3.793) 4.009 3.931 ( -0.279 -4.469 0.851) 4.558 4.071 ( 1.563 -5.571 5.284) 7.836 5.052 ( 3.782 -2.497 -3.618) 5.799 5.358 ( 1.966 2.746 -6.249) 7.103 5.448 ( 1.648 3.598 3.034) 4.987 5.711 ( 8.923 2.169 3.696) 9.898 5.854 ( 4.068 -1.411 -0.089) 4.307 5.928 ( 3.983 -0.062 3.869) 5.553 6.115 ( 0.386 0.715 1.415) 1.632 6.151 ( -0.893 -0.007 3.716) 3.822 7.219 ( 4.357 -0.665 -5.664) 7.177 7.387 ( 2.148 1.484 0.066) 2.611 7.681 ( -5.677 4.471 -16.195) 17.734 7.968 ( 0.157 0.254 -4.965) 4.974 8.565 ( -2.902 -4.162 -8.672) 10.048 9.085 ( -0.304 2.890 7.692) 8.223 9.330 ( 0.101 0.492 3.372) 3.410 9.534 ( 0.076 -2.729 9.168) 9.565 ======================= Grid point 113 (90/135) ======================= q-point: ( 0.64 -0.53 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.395 ( -1.820 3.380 3.815) 5.412 1.674 ( -8.875 1.183 3.071) 9.465 2.030 ( 4.258 -0.119 4.188) 5.974 2.130 ( 0.191 -5.189 2.962) 5.978 2.373 ( 4.070 0.444 3.844) 5.616 2.431 ( -2.159 -2.711 5.318) 6.348 2.851 ( 3.795 -0.906 -6.324) 7.431 2.994 ( 0.040 -0.336 -7.024) 7.033 3.241 ( 8.117 2.496 0.201) 8.494 3.481 ( -1.109 -4.536 0.044) 4.669 3.798 ( 6.400 1.072 -2.646) 7.008 3.894 ( 6.410 1.223 1.263) 6.647 4.157 ( 5.303 0.924 -7.185) 8.978 4.321 ( 0.809 0.763 -4.691) 4.821 5.021 ( -2.374 0.358 3.626) 4.349 5.159 ( -1.322 12.348 1.671) 12.530 5.549 ( -6.434 -1.965 -1.719) 6.943 5.792 ( -0.757 -10.066 -1.362) 10.186 5.961 ( -7.834 -3.016 -0.366) 8.402 5.998 ( -4.413 7.821 -1.841) 9.167 6.156 ( -6.302 1.386 -4.378) 7.798 6.372 ( -1.212 -2.933 -11.712) 12.135 6.747 ( -2.383 -2.369 13.956) 14.355 6.952 ( 0.698 0.149 14.848) 14.865 7.306 ( -3.497 -1.820 0.527) 3.977 7.779 ( 2.539 0.927 4.228) 5.018 8.448 ( 9.862 3.776 4.874) 11.631 9.175 ( -6.621 -3.295 -3.278) 8.090 9.540 ( -1.592 1.953 -3.803) 4.562 9.816 ( 0.950 -2.156 -4.346) 4.943 ======================= Grid point 115 (91/135) ======================= q-point: (-0.16 -0.28 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.439 ( -7.129 -0.000 -13.304) 15.094 1.628 ( -1.534 -0.000 -13.347) 13.435 2.314 ( 1.696 0.000 5.658) 5.907 2.516 ( 3.304 0.000 1.536) 3.644 2.839 ( 8.041 0.000 14.235) 16.349 2.862 ( -1.339 -0.000 -26.926) 26.960 3.083 ( -1.376 0.000 11.170) 11.255 3.329 ( 14.033 -0.000 3.574) 14.480 3.517 ( 12.202 0.000 8.952) 15.133 3.565 ( 2.371 0.000 6.503) 6.922 3.611 ( 0.087 0.000 0.875) 0.879 3.880 ( -0.400 -0.000 -2.911) 2.938 3.900 ( 12.530 -0.000 1.209) 12.588 4.141 ( 15.155 -0.000 -7.660) 16.980 4.780 ( -3.434 0.000 0.747) 3.514 5.099 ( -13.564 0.000 -1.179) 13.615 5.114 ( -16.050 0.000 -0.822) 16.071 5.260 ( -12.679 0.000 -0.907) 12.712 5.734 ( -2.495 0.000 3.271) 4.114 5.760 ( -2.540 -0.000 -3.151) 4.047 5.949 ( -0.309 0.000 3.397) 3.411 6.111 ( -0.455 0.000 4.520) 4.543 7.114 ( -1.887 -0.000 -1.980) 2.735 7.321 ( -1.309 0.000 3.462) 3.701 8.067 ( 2.484 -0.000 -0.298) 2.502 8.479 ( -2.502 -0.000 -5.602) 6.135 8.480 ( 8.815 0.000 3.565) 9.509 8.963 ( -5.179 -0.000 -2.122) 5.597 9.262 ( -0.256 0.000 3.808) 3.816 9.443 ( 3.287 -0.000 -0.616) 3.344 ======================= Grid point 118 (92/135) ======================= q-point: ( 0.64 -0.41 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.443 ( -2.485 7.296 4.966) 9.169 1.676 ( 2.917 2.594 5.716) 6.922 2.040 ( -7.109 -5.482 10.787) 14.034 2.407 ( -0.494 -1.250 10.401) 10.488 2.504 ( 6.503 0.682 -2.509) 7.003 2.627 ( 5.249 -4.633 3.612) 7.878 2.849 ( 16.375 -2.375 -6.112) 17.639 2.920 ( 5.979 -2.022 -2.630) 6.838 3.413 ( -1.763 -1.838 -2.228) 3.384 3.438 ( 8.647 2.731 0.595) 9.088 3.768 ( 0.331 -1.386 -1.166) 1.841 3.996 ( 2.848 4.036 -7.160) 8.699 4.157 ( 10.059 3.035 -6.396) 12.301 4.261 ( 3.616 2.515 -6.118) 7.539 5.040 ( -5.223 1.069 5.510) 7.667 5.118 ( -7.067 1.520 -0.899) 7.284 5.335 ( -7.965 1.974 -1.616) 8.363 5.662 ( -12.190 -1.810 -4.585) 13.149 5.839 ( -4.320 -6.137 2.062) 7.783 5.887 ( -1.383 4.844 -0.744) 5.092 5.939 ( -6.692 -0.116 -3.842) 7.717 6.160 ( -1.475 -3.013 -7.261) 7.998 6.937 ( -3.523 -1.420 11.742) 12.341 7.242 ( -2.669 -1.623 0.746) 3.211 7.328 ( 3.372 -1.197 17.942) 18.295 7.932 ( 2.124 2.057 6.862) 7.472 8.745 ( 6.694 6.283 4.111) 10.059 9.001 ( -0.740 -6.599 -3.383) 7.453 9.415 ( -1.584 1.321 -5.359) 5.743 9.692 ( -2.288 -1.866 -6.901) 7.506 ======================= Grid point 119 (93/135) ======================= q-point: ( 0.23 0.21 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.775 ( 9.783 -0.418 10.979) 14.711 1.950 ( 7.167 0.024 -1.610) 7.346 2.170 ( -6.027 1.567 0.429) 6.243 2.279 ( -7.387 0.697 -4.284) 8.568 2.537 ( -9.442 3.837 -3.198) 10.682 2.581 ( -8.727 -1.335 -0.217) 8.831 2.845 ( -4.223 -2.500 5.554) 7.411 2.977 ( -8.672 -0.064 -1.667) 8.831 3.044 ( -5.245 -6.974 -0.235) 8.729 3.087 ( -3.424 -1.730 -4.889) 6.215 3.636 ( -0.018 2.251 1.274) 2.586 3.712 ( 0.168 -1.375 -2.510) 2.866 3.938 ( 0.109 4.913 1.271) 5.076 3.988 ( -0.432 3.621 -2.807) 4.602 5.144 ( 4.746 4.325 5.667) 8.564 5.318 ( 1.304 -1.549 -5.221) 5.600 5.531 ( 4.963 -4.769 6.608) 9.542 5.623 ( 8.027 -2.061 -5.619) 10.013 5.864 ( 4.361 1.166 -0.388) 4.531 5.876 ( 3.773 -1.012 -0.413) 3.928 6.088 ( 0.253 2.141 -1.354) 2.546 6.107 ( -1.235 -0.607 -1.023) 1.715 7.300 ( 4.046 1.480 3.019) 5.260 7.372 ( 2.470 -1.422 -1.526) 3.233 7.925 ( -3.086 -2.803 8.618) 9.573 8.009 ( -0.735 -1.177 -1.021) 1.723 8.728 ( -1.690 4.028 8.227) 9.315 8.940 ( -1.940 -2.985 -7.418) 8.228 9.309 ( -0.548 -0.428 1.613) 1.757 9.375 ( 0.157 2.196 -6.903) 7.246 ======================= Grid point 120 (94/135) ======================= q-point: (-0.17 -0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.049 ( -0.000 -0.000 -17.626) 17.626 1.320 ( -0.000 -0.000 -18.278) 18.278 2.168 ( -0.000 -0.000 -36.604) 36.604 2.487 ( 0.000 0.000 9.838) 9.838 2.495 ( -0.000 -0.000 -2.892) 2.892 3.209 ( 0.000 0.000 9.030) 9.030 3.320 ( 0.000 0.000 17.032) 17.032 3.572 ( 0.000 0.000 1.281) 1.281 3.649 ( -0.000 -0.000 -0.726) 0.726 3.671 ( 0.000 0.000 3.038) 3.038 3.802 ( 0.000 0.000 5.665) 5.665 3.874 ( 0.000 0.000 7.864) 7.864 4.152 ( 0.000 0.000 3.015) 3.015 4.257 ( -0.000 -0.000 -2.686) 2.686 4.783 ( -0.000 -0.000 -0.114) 0.114 4.841 ( -0.000 -0.000 -4.487) 4.487 4.916 ( 0.000 0.000 1.624) 1.624 4.983 ( -0.000 -0.000 -6.356) 6.356 5.731 ( 0.000 0.000 2.150) 2.150 5.804 ( 0.000 0.000 5.864) 5.864 6.015 ( 0.000 0.000 3.562) 3.562 6.188 ( 0.000 0.000 4.083) 4.083 7.056 ( -0.000 -0.000 -2.265) 2.265 7.349 ( 0.000 0.000 0.716) 0.716 8.017 ( -0.000 -0.000 -6.641) 6.641 8.362 ( -0.000 -0.000 -4.299) 4.299 8.719 ( -0.000 -0.000 -9.151) 9.151 8.774 ( 0.000 0.000 8.983) 8.983 9.360 ( 0.000 0.000 6.196) 6.196 9.459 ( -0.000 -0.000 -1.308) 1.308 ======================= Grid point 123 (95/135) ======================= q-point: ( 0.63 -0.30 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.617 ( 2.932 1.418 8.013) 8.650 1.798 ( 1.105 4.686 1.380) 5.008 2.137 ( -5.697 -2.840 15.758) 16.995 2.426 ( -0.084 -2.326 -3.292) 4.032 2.515 ( 2.166 -2.538 -6.614) 7.409 2.855 ( 7.487 -0.775 12.471) 14.566 3.068 ( 6.383 -3.621 -0.856) 7.388 3.234 ( 15.580 -0.281 2.740) 15.821 3.348 ( -1.967 0.142 3.118) 3.689 3.600 ( 10.020 0.727 -4.140) 10.866 3.780 ( 4.742 2.037 -5.037) 7.212 3.903 ( 1.009 -2.059 -3.029) 3.798 4.119 ( 3.139 3.129 -12.502) 13.265 4.287 ( 5.881 6.013 -1.967) 8.638 4.837 ( -12.610 -5.428 0.229) 13.731 5.031 ( -4.132 1.456 1.581) 4.658 5.199 ( -10.525 3.259 -2.579) 11.316 5.291 ( -8.783 2.330 -2.964) 9.558 5.735 ( -3.897 0.340 -2.767) 4.792 5.848 ( -3.278 -6.149 3.669) 7.875 5.891 ( 1.535 2.558 -2.106) 3.652 6.017 ( -3.260 -2.881 -1.862) 4.732 7.073 ( -1.946 0.033 8.679) 8.894 7.194 ( -1.361 -2.187 -0.956) 2.747 7.740 ( 3.226 0.027 15.888) 16.212 8.111 ( 1.400 4.584 7.740) 9.104 8.725 ( -3.074 -2.851 -2.112) 4.694 9.112 ( 7.844 -1.952 -1.861) 8.294 9.295 ( -0.686 0.431 -4.361) 4.436 9.509 ( -3.154 0.109 -4.335) 5.362 ======================= Grid point 124 (96/135) ======================= q-point: ( 0.23 -0.67 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.975 ( 8.810 0.939 -6.337) 10.893 2.015 ( -8.679 -1.586 -9.508) 12.971 2.068 ( -2.034 0.859 3.296) 3.968 2.179 ( 2.415 -1.064 4.860) 5.531 2.380 ( -0.947 2.756 -1.100) 3.115 2.504 ( 0.630 4.671 9.002) 10.162 2.813 ( 1.034 -3.864 -5.853) 7.089 2.867 ( 1.380 3.630 -2.959) 4.883 2.984 ( 0.120 -8.817 -0.167) 8.820 3.080 ( -1.634 -2.958 8.193) 8.863 3.647 ( -0.936 -0.222 -2.180) 2.383 3.708 ( 0.519 0.357 3.705) 3.758 3.935 ( 0.282 3.962 -1.645) 4.299 3.996 ( -0.896 4.031 4.624) 6.199 5.207 ( -1.449 0.750 -5.748) 5.975 5.322 ( 0.729 1.440 5.975) 6.189 5.568 ( 1.119 -3.961 -8.331) 9.293 5.704 ( -0.466 -2.549 5.944) 6.484 5.903 ( 1.076 0.241 -1.349) 1.742 5.939 ( -1.425 -0.035 2.250) 2.663 6.074 ( 1.252 0.572 0.095) 1.380 6.092 ( -0.544 1.371 1.789) 2.319 7.352 ( -0.777 0.172 -2.847) 2.956 7.390 ( 0.923 0.381 1.209) 1.568 7.880 ( 1.163 -1.282 -11.084) 11.218 8.006 ( -0.500 -0.883 2.056) 2.293 8.730 ( -1.960 -0.280 -9.130) 9.343 8.902 ( 1.669 0.092 8.894) 9.050 9.300 ( 0.345 0.373 -1.308) 1.403 9.382 ( -0.548 1.066 6.928) 7.031 ======================= Grid point 126 (97/135) ======================= q-point: ( 0.42 -0.42 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.219 ( -2.794 12.304 -0.000) 12.617 1.344 ( -12.903 7.704 -0.000) 15.027 1.992 ( -2.684 -8.749 0.000) 9.152 2.267 ( -5.320 -4.634 0.000) 7.055 2.425 ( 11.204 -3.537 0.000) 11.749 2.563 ( 9.587 1.364 -0.000) 9.684 3.050 ( -1.556 -0.213 0.000) 1.570 3.161 ( 15.261 -3.890 0.000) 15.749 3.329 ( 6.156 2.409 -0.000) 6.611 3.496 ( 1.441 2.000 -0.000) 2.465 3.856 ( -2.659 -4.160 0.000) 4.937 3.879 ( 2.538 5.724 -0.000) 6.261 4.299 ( 11.784 8.330 -0.000) 14.431 4.304 ( -3.171 1.308 -0.000) 3.430 4.914 ( -4.921 0.769 -0.000) 4.981 5.046 ( 1.800 3.365 -0.000) 3.816 5.491 ( -14.221 -8.533 0.000) 16.585 5.692 ( -12.146 6.733 -0.000) 13.887 5.848 ( 1.993 1.121 -0.000) 2.287 6.012 ( -7.619 -7.669 0.000) 10.810 6.089 ( -1.926 -5.878 0.000) 6.186 6.608 ( -1.790 3.174 -0.000) 3.644 6.622 ( -0.701 -0.818 0.000) 1.077 6.693 ( 0.863 -4.311 0.000) 4.397 7.274 ( -3.020 -2.345 0.000) 3.823 7.761 ( 2.059 1.997 -0.000) 2.869 8.485 ( 9.021 8.364 -0.000) 12.302 9.203 ( -2.156 -6.670 0.000) 7.010 9.502 ( -2.236 1.322 -0.000) 2.598 9.895 ( -1.828 -2.618 0.000) 3.193 ======================= Grid point 128 (98/135) ======================= q-point: (-0.38 -0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 207 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.653 ( -0.000 -5.422 -6.120) 8.176 1.789 ( -0.000 -0.440 -2.866) 2.900 2.335 ( -0.000 -3.195 -3.497) 4.737 2.498 ( 0.000 -0.760 23.505) 23.517 2.516 ( 0.000 3.187 1.563) 3.550 2.952 ( -0.000 3.317 -5.324) 6.273 3.281 ( 0.000 -1.390 12.368) 12.446 3.421 ( 0.000 1.424 3.813) 4.070 3.470 ( -0.000 -3.875 -19.880) 20.254 3.479 ( 0.000 -1.768 7.194) 7.408 3.775 ( -0.000 0.385 -7.650) 7.660 3.841 ( 0.000 6.596 -3.375) 7.409 4.022 ( 0.000 -3.326 3.973) 5.181 4.329 ( 0.000 4.609 -1.882) 4.978 4.763 ( 0.000 -1.332 2.171) 2.547 4.910 ( -0.000 1.490 -2.260) 2.707 5.007 ( -0.000 -2.698 -2.926) 3.980 5.181 ( -0.000 2.580 -2.676) 3.717 5.677 ( 0.000 -0.888 0.473) 1.006 5.786 ( -0.000 1.583 -4.493) 4.763 5.908 ( 0.000 -4.031 3.232) 5.166 6.019 ( 0.000 0.005 3.423) 3.423 7.152 ( -0.000 -1.975 -1.984) 2.800 7.198 ( 0.000 1.123 6.318) 6.417 8.006 ( 0.000 1.438 8.033) 8.161 8.247 ( 0.000 9.395 3.931) 10.184 8.687 ( -0.000 -9.529 1.956) 9.728 9.068 ( -0.000 -1.634 -8.124) 8.287 9.241 ( -0.000 -1.188 -0.488) 1.284 9.458 ( 0.000 2.585 -0.217) 2.594 ======================= Grid point 131 (99/135) ======================= q-point: ( 0.42 -0.31 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.142 ( -1.445 12.316 5.272) 13.474 1.287 ( -6.630 12.365 10.655) 17.618 2.003 ( -0.437 3.631 -2.047) 4.191 2.305 ( 0.939 -5.156 10.017) 11.305 2.560 ( 0.503 -5.675 5.799) 8.129 2.759 ( 5.567 -0.512 0.077) 5.591 3.006 ( -0.433 0.124 2.342) 2.384 3.358 ( 10.760 -0.733 -6.882) 12.793 3.515 ( 1.038 -7.462 -3.847) 8.459 3.577 ( 14.102 0.709 2.181) 14.287 3.822 ( -0.391 -4.367 2.330) 4.965 3.970 ( 7.867 6.549 -1.348) 10.324 4.210 ( -1.151 1.748 -2.914) 3.588 4.489 ( 11.341 6.664 -5.717) 14.343 4.800 ( -12.723 -0.859 3.372) 13.190 5.026 ( -4.241 2.857 0.915) 5.194 5.152 ( -11.453 0.509 -1.895) 11.620 5.387 ( -15.404 5.293 -2.681) 16.508 5.828 ( -3.866 0.593 -2.984) 4.919 5.918 ( 2.028 -7.651 -0.450) 7.928 6.053 ( 1.806 -6.358 -3.864) 7.656 6.299 ( -3.669 1.509 -11.892) 12.537 6.772 ( 0.275 -4.051 6.957) 8.056 7.005 ( 1.157 -1.754 21.859) 21.960 7.240 ( -1.514 -2.831 1.529) 3.556 7.825 ( 1.060 2.382 3.332) 4.231 8.645 ( 3.001 7.646 2.317) 8.534 9.232 ( 6.762 -5.591 -0.808) 8.811 9.443 ( -0.171 0.798 -2.840) 2.955 9.750 ( -7.844 -3.461 -5.055) 9.953 ======================= Grid point 135 (100/135) ======================= q-point: (-0.19 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.209 ( 14.665 -0.000 0.000) 14.665 1.407 ( 18.670 -0.000 0.000) 18.670 2.288 ( -6.895 0.000 -0.000) 6.895 2.335 ( -31.816 0.000 -0.000) 31.816 2.443 ( 32.420 -0.000 0.000) 32.420 2.551 ( -0.722 0.000 -0.000) 0.722 2.934 ( -13.852 0.000 -0.000) 13.852 2.964 ( -9.975 0.000 -0.000) 9.975 3.105 ( 1.286 -0.000 0.000) 1.286 3.108 ( -2.740 0.000 -0.000) 2.740 3.750 ( -7.559 0.000 -0.000) 7.559 4.004 ( 4.006 -0.000 0.000) 4.006 4.028 ( -4.060 0.000 -0.000) 4.060 4.297 ( 5.074 -0.000 0.000) 5.074 4.972 ( 3.385 -0.000 0.000) 3.385 5.207 ( 7.513 -0.000 0.000) 7.513 5.711 ( -0.036 0.000 -0.000) 0.036 5.875 ( -7.402 0.000 -0.000) 7.402 6.136 ( 1.795 -0.000 0.000) 1.795 6.207 ( 6.556 -0.000 0.000) 6.556 6.232 ( -2.955 0.000 -0.000) 2.955 6.460 ( 1.050 -0.000 0.000) 1.050 6.511 ( 1.507 -0.000 0.000) 1.507 6.872 ( -2.392 0.000 -0.000) 2.392 7.364 ( 0.321 -0.000 0.000) 0.321 7.657 ( 0.521 -0.000 0.000) 0.521 8.197 ( 1.411 -0.000 0.000) 1.411 9.402 ( -2.554 0.000 -0.000) 2.554 9.662 ( -1.655 0.000 -0.000) 1.655 9.721 ( 3.601 -0.000 0.000) 3.601 ======================= Grid point 136 (101/135) ======================= q-point: ( 0.41 -0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.399 ( 0.000 8.815 12.243) 15.086 1.439 ( 0.000 10.668 15.529) 18.840 1.937 ( 0.000 4.463 1.473) 4.700 2.507 ( 0.000 -2.058 6.149) 6.484 2.691 ( -0.000 -0.742 -7.908) 7.943 2.753 ( 0.000 -10.440 12.496) 16.283 3.177 ( 0.000 -2.699 9.928) 10.288 3.368 ( -0.000 2.787 -3.947) 4.832 3.378 ( -0.000 -6.682 -8.570) 10.867 3.813 ( 0.000 4.761 -1.642) 5.036 3.835 ( 0.000 -2.957 3.471) 4.560 3.930 ( -0.000 -1.004 -9.265) 9.319 4.297 ( 0.000 1.882 -0.075) 1.883 4.425 ( -0.000 -0.850 -10.110) 10.146 4.654 ( 0.000 -1.494 4.997) 5.215 4.984 ( -0.000 4.136 -3.178) 5.216 5.090 ( 0.000 6.967 0.840) 7.018 5.091 ( 0.000 3.836 -1.503) 4.120 5.738 ( -0.000 0.436 -2.565) 2.602 5.933 ( -0.000 -8.894 -0.883) 8.938 6.033 ( -0.000 1.615 -8.141) 8.300 6.034 ( -0.000 -3.994 -2.497) 4.710 6.912 ( 0.000 -2.131 7.667) 7.958 7.230 ( -0.000 -2.521 1.160) 2.775 7.459 ( 0.000 -4.511 19.894) 20.399 7.923 ( 0.000 3.121 5.697) 6.496 8.704 ( 0.000 2.188 2.405) 3.251 9.319 ( -0.000 -2.099 -0.845) 2.263 9.433 ( -0.000 -0.832 -9.538) 9.574 9.467 ( -0.000 -0.231 -2.139) 2.151 ======================= Grid point 140 (102/135) ======================= q-point: (-0.19 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 219 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.482 ( 1.947 0.000 5.407) 5.747 1.723 ( 7.892 0.000 4.471) 9.071 1.902 ( -7.695 0.000 4.579) 8.954 2.186 ( -3.545 -0.000 -2.895) 4.577 2.479 ( -16.196 0.000 2.982) 16.468 2.521 ( -4.928 0.000 4.319) 6.552 2.846 ( -3.909 -0.000 -1.530) 4.198 2.988 ( 3.737 -0.000 -8.737) 9.502 3.131 ( 5.327 -0.000 0.441) 5.345 3.265 ( 19.029 -0.000 3.578) 19.363 3.626 ( -0.343 -0.000 -0.805) 0.875 3.922 ( -3.593 -0.000 -2.214) 4.220 4.045 ( 5.524 -0.000 -6.572) 8.585 4.290 ( 2.486 -0.000 -7.273) 7.686 5.041 ( 0.834 0.000 2.594) 2.725 5.351 ( 1.736 0.000 4.171) 4.518 5.650 ( -5.642 -0.000 -5.001) 7.540 5.683 ( -1.877 0.000 -0.360) 1.911 6.069 ( -3.994 -0.000 -2.547) 4.737 6.109 ( 0.321 -0.000 -3.822) 3.835 6.245 ( 0.463 -0.000 -4.716) 4.739 6.358 ( -1.962 -0.000 -8.815) 9.031 6.793 ( -4.866 0.000 20.715) 21.278 6.951 ( -0.071 0.000 10.440) 10.441 7.352 ( -2.513 0.000 0.825) 2.645 7.736 ( 2.247 0.000 4.776) 5.278 8.314 ( 6.250 0.000 4.758) 7.855 9.283 ( -6.222 -0.000 -3.332) 7.058 9.587 ( -0.806 -0.000 -4.656) 4.725 9.748 ( 3.137 -0.000 -4.357) 5.369 ======================= Grid point 144 (103/135) ======================= q-point: ( 0.20 -0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.734 ( 0.000 17.988 -0.000) 17.988 0.809 ( 0.000 19.462 -0.000) 19.462 1.580 ( 0.000 37.148 -0.000) 37.148 2.256 ( -0.000 -6.569 0.000) 6.569 2.774 ( -0.000 -19.568 0.000) 19.568 2.836 ( 0.000 4.768 -0.000) 4.768 2.880 ( -0.000 -0.646 0.000) 0.646 3.520 ( 0.000 0.260 -0.000) 0.260 3.749 ( -0.000 -7.189 0.000) 7.189 3.789 ( -0.000 -4.974 0.000) 4.974 3.816 ( -0.000 -3.865 0.000) 3.865 4.207 ( 0.000 1.058 -0.000) 1.058 4.313 ( -0.000 -1.632 0.000) 1.632 4.466 ( 0.000 11.863 -0.000) 11.863 4.495 ( -0.000 -4.611 0.000) 4.611 4.959 ( 0.000 7.028 -0.000) 7.028 4.968 ( 0.000 8.697 -0.000) 8.697 5.013 ( 0.000 2.228 -0.000) 2.228 5.839 ( -0.000 -3.834 0.000) 3.834 6.146 ( -0.000 -9.355 0.000) 9.355 6.192 ( -0.000 -1.968 0.000) 1.968 6.509 ( 0.000 2.884 -0.000) 2.884 6.605 ( 0.000 0.018 -0.000) 0.018 6.814 ( -0.000 -5.806 0.000) 5.806 7.249 ( -0.000 -2.048 0.000) 2.048 7.757 ( 0.000 2.845 -0.000) 2.845 8.520 ( 0.000 6.981 -0.000) 6.981 9.352 ( -0.000 -1.277 0.000) 1.277 9.556 ( -0.000 -1.917 0.000) 1.917 9.763 ( -0.000 -5.379 0.000) 5.379 ======================= Grid point 145 (104/135) ======================= q-point: (-0.20 0.42 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.544 ( 1.113 0.000 7.362) 7.446 1.710 ( -12.400 0.000 1.259) 12.464 2.134 ( -1.399 0.000 6.774) 6.917 2.222 ( 16.071 0.000 9.410) 18.623 2.417 ( 1.389 0.000 0.911) 1.661 2.564 ( -2.645 0.000 8.927) 9.310 2.687 ( -1.852 -0.000 -9.163) 9.348 2.827 ( 1.505 -0.000 -7.793) 7.937 3.300 ( 8.114 -0.000 1.518) 8.254 3.410 ( 0.727 -0.000 -2.760) 2.854 3.772 ( 1.918 -0.000 -1.032) 2.178 3.914 ( 12.881 -0.000 -1.358) 12.952 3.955 ( 3.484 -0.000 -11.084) 11.618 4.181 ( 3.758 -0.000 -9.743) 10.443 5.108 ( -0.613 0.000 4.607) 4.648 5.343 ( -7.207 0.000 -1.467) 7.355 5.507 ( -6.030 0.000 0.796) 6.083 5.653 ( -2.087 0.000 1.619) 2.641 5.951 ( -5.805 0.000 1.218) 5.931 6.056 ( -1.960 -0.000 -1.713) 2.603 6.064 ( -6.080 -0.000 -6.226) 8.702 6.121 ( -2.707 -0.000 -9.356) 9.740 7.021 ( -6.357 0.000 14.674) 15.991 7.248 ( 3.320 0.000 16.795) 17.120 7.297 ( -4.067 0.000 0.375) 4.084 7.901 ( 2.638 0.000 7.217) 7.684 8.604 ( 10.342 0.000 7.171) 12.585 9.054 ( -7.363 -0.000 -5.874) 9.419 9.460 ( -1.277 -0.000 -6.222) 6.351 9.677 ( 1.407 -0.000 -7.529) 7.659 ======================= Grid point 150 (105/135) ======================= q-point: ( 0.79 -0.46 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 219 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.630 ( -2.729 0.000 7.014) 7.526 1.765 ( 4.808 0.000 4.233) 6.406 2.254 ( -7.493 0.000 13.166) 15.148 2.388 ( 5.234 -0.000 -6.313) 8.200 2.446 ( -1.804 -0.000 -10.085) 10.245 2.696 ( 8.082 0.000 14.085) 16.239 2.848 ( 18.163 -0.000 4.936) 18.822 2.887 ( 8.202 -0.000 0.417) 8.212 3.378 ( 0.037 -0.000 -0.175) 0.179 3.442 ( 7.596 -0.000 -3.939) 8.557 3.755 ( 1.153 -0.000 -0.114) 1.158 3.813 ( 1.784 -0.000 -9.317) 9.486 4.078 ( 4.830 -0.000 -9.660) 10.800 4.133 ( 14.205 -0.000 -5.716) 15.312 5.050 ( -13.542 0.000 -4.820) 14.374 5.169 ( -5.349 0.000 6.200) 8.188 5.407 ( -5.801 0.000 0.774) 5.852 5.529 ( -12.181 0.000 -3.791) 12.757 5.844 ( -5.355 0.000 3.660) 6.486 5.863 ( -7.158 -0.000 -4.184) 8.291 5.969 ( -1.072 0.000 2.557) 2.772 5.995 ( -0.994 -0.000 -4.952) 5.051 7.136 ( -4.485 0.000 9.470) 10.478 7.219 ( -3.371 0.000 -0.588) 3.422 7.659 ( 4.576 0.000 16.341) 16.970 8.109 ( 3.122 0.000 8.501) 9.056 8.798 ( -6.156 -0.000 -6.344) 8.840 8.925 ( 9.167 0.000 4.220) 10.091 9.320 ( -1.169 -0.000 -5.282) 5.410 9.538 ( -0.214 -0.000 -7.230) 7.233 ======================= Grid point 154 (106/135) ======================= q-point: ( 0.59 -0.59 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.357 ( -1.240 2.923 -0.000) 3.175 1.639 ( -7.745 1.834 -0.000) 7.959 1.986 ( 8.329 -0.318 0.000) 8.336 2.114 ( -8.640 -5.953 0.000) 10.492 2.318 ( -1.075 0.174 -0.000) 1.089 2.386 ( 4.386 -1.977 0.000) 4.812 2.915 ( 6.260 -0.872 0.000) 6.320 3.072 ( -0.706 0.974 -0.000) 1.203 3.243 ( 5.674 0.346 0.000) 5.685 3.465 ( -1.154 -4.973 0.000) 5.105 3.836 ( 17.097 3.036 -0.000) 17.365 3.869 ( -3.678 -1.070 0.000) 3.831 4.233 ( 7.126 4.053 -0.000) 8.198 4.366 ( -1.406 0.294 -0.000) 1.436 4.984 ( -2.012 0.221 -0.000) 2.024 5.142 ( -0.534 12.064 -0.000) 12.076 5.566 ( -6.300 -1.767 0.000) 6.543 5.813 ( -1.073 -10.534 0.000) 10.588 5.965 ( -9.958 -3.196 0.000) 10.458 6.017 ( -3.958 7.156 -0.000) 8.178 6.205 ( -6.873 1.582 -0.000) 7.052 6.569 ( 0.536 -5.122 0.000) 5.150 6.589 ( 1.229 -2.465 0.000) 2.754 6.733 ( -2.771 2.911 -0.000) 4.020 7.300 ( -3.400 -1.766 0.000) 3.831 7.737 ( 2.834 0.843 -0.000) 2.957 8.399 ( 10.044 3.756 -0.000) 10.723 9.207 ( -6.876 -3.311 0.000) 7.632 9.577 ( -1.822 2.134 -0.000) 2.806 9.858 ( 0.871 -2.292 0.000) 2.452 ======================= Grid point 156 (107/135) ======================= q-point: (-0.22 -0.34 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.631 ( -3.449 -0.000 -5.607) 6.583 1.793 ( -1.299 -0.000 -4.224) 4.419 2.296 ( 1.241 -0.000 -3.836) 4.032 2.432 ( 6.553 0.000 9.482) 11.526 2.534 ( 0.174 0.000 12.989) 12.990 2.984 ( 1.217 -0.000 -0.151) 1.227 3.144 ( 9.781 0.000 11.055) 14.761 3.265 ( 14.239 -0.000 -3.350) 14.628 3.446 ( 1.164 0.000 5.874) 5.988 3.448 ( 6.041 -0.000 -7.807) 9.871 3.652 ( 1.218 -0.000 -6.101) 6.221 3.870 ( 8.807 -0.000 2.071) 9.047 3.977 ( -0.307 -0.000 -7.061) 7.068 4.271 ( 11.108 -0.000 -5.756) 12.511 4.775 ( -6.075 0.000 -0.168) 6.078 5.087 ( -10.443 0.000 1.878) 10.610 5.147 ( -16.647 0.000 -2.838) 16.887 5.289 ( -6.364 0.000 -1.856) 6.629 5.704 ( -3.696 0.000 -0.196) 3.702 5.845 ( -3.069 -0.000 -5.412) 6.222 5.873 ( -1.343 0.000 4.634) 4.825 6.025 ( -0.579 0.000 4.365) 4.404 7.148 ( -1.645 -0.000 -1.571) 2.275 7.225 ( -1.787 0.000 6.542) 6.782 7.988 ( 3.275 0.000 8.769) 9.360 8.345 ( 3.591 0.000 9.268) 9.939 8.587 ( -3.371 -0.000 -5.701) 6.623 9.037 ( 1.154 -0.000 -4.197) 4.353 9.237 ( -0.391 -0.000 -1.314) 1.371 9.462 ( 1.906 -0.000 -1.600) 2.489 ======================= Grid point 159 (108/135) ======================= q-point: ( 0.58 -0.47 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.400 ( -3.903 8.879 -0.322) 9.704 1.556 ( 0.075 5.777 6.533) 8.722 1.879 ( -3.830 -8.523 5.901) 11.051 2.243 ( -3.578 -3.115 5.628) 7.360 2.437 ( 9.778 -1.715 6.548) 11.892 2.595 ( 10.054 -0.407 0.523) 10.076 2.973 ( 4.467 -0.318 -6.132) 7.593 3.028 ( 9.074 -3.109 -6.746) 11.727 3.398 ( 7.608 1.422 2.355) 8.090 3.437 ( -2.056 -4.420 0.868) 4.952 3.784 ( -2.320 -2.290 -0.914) 3.386 4.089 ( 6.256 11.718 -1.817) 13.407 4.253 ( 2.292 -0.591 -5.128) 5.648 4.375 ( 7.370 4.619 -4.312) 9.708 4.962 ( -3.391 1.231 2.720) 4.518 5.127 ( -3.987 3.047 -0.281) 5.026 5.366 ( -10.330 0.007 -1.498) 10.438 5.714 ( -10.896 -2.102 -0.972) 11.140 5.799 ( -4.915 -11.587 1.110) 12.635 5.932 ( -1.384 7.226 -2.622) 7.811 6.013 ( -7.246 0.021 -3.574) 8.080 6.348 ( -1.258 -1.570 -12.351) 12.514 6.717 ( -0.739 -2.309 10.120) 10.407 6.970 ( 1.107 -0.113 18.124) 18.158 7.240 ( -2.978 -1.988 0.506) 3.616 7.826 ( 2.184 1.298 3.923) 4.673 8.666 ( 10.926 7.080 3.520) 13.487 9.059 ( -3.832 -6.487 -2.302) 7.878 9.501 ( -2.098 1.833 -3.372) 4.374 9.799 ( -3.176 -2.784 -4.006) 5.821 ======================= Grid point 161 (109/135) ======================= q-point: (-0.22 -0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.365 ( -0.000 -0.000 -15.137) 15.137 1.616 ( -0.000 -0.000 -12.292) 12.292 2.332 ( 0.000 0.000 5.414) 5.414 2.545 ( -0.000 -0.000 -1.780) 1.780 2.839 ( -0.000 -0.000 -33.386) 33.386 2.943 ( 0.000 0.000 22.247) 22.247 3.046 ( 0.000 0.000 6.942) 6.942 3.510 ( 0.000 0.000 7.079) 7.079 3.561 ( 0.000 0.000 7.095) 7.095 3.580 ( 0.000 0.000 6.045) 6.045 3.745 ( 0.000 0.000 3.572) 3.572 3.814 ( -0.000 -0.000 -4.216) 4.216 4.082 ( 0.000 0.000 4.217) 4.217 4.320 ( -0.000 -0.000 -3.479) 3.479 4.778 ( 0.000 0.000 0.779) 0.779 4.898 ( 0.000 0.000 0.026) 0.026 4.918 ( -0.000 -0.000 -3.612) 3.612 5.107 ( -0.000 -0.000 -6.169) 6.169 5.709 ( 0.000 0.000 3.824) 3.824 5.734 ( -0.000 -0.000 -2.327) 2.327 5.946 ( 0.000 0.000 3.943) 3.943 6.105 ( 0.000 0.000 4.573) 4.573 7.096 ( -0.000 -0.000 -2.034) 2.034 7.308 ( 0.000 0.000 3.696) 3.696 8.095 ( -0.000 -0.000 -0.770) 0.770 8.452 ( -0.000 -0.000 -5.069) 5.069 8.588 ( 0.000 0.000 10.444) 10.444 8.890 ( -0.000 -0.000 -8.709) 8.709 9.260 ( 0.000 0.000 3.772) 3.772 9.477 ( -0.000 -0.000 -0.623) 0.623 ======================= Grid point 164 (110/135) ======================= q-point: ( 0.57 -0.35 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.442 ( 2.769 4.810 8.895) 10.484 1.687 ( -4.058 8.598 10.961) 14.510 1.960 ( -0.576 -4.680 1.650) 4.995 2.408 ( 2.200 -2.441 7.318) 8.022 2.621 ( 3.995 -1.927 5.834) 7.329 2.657 ( -0.389 -3.908 -4.167) 5.726 3.057 ( 7.287 -1.843 2.908) 8.059 3.233 ( 17.169 -0.425 -3.201) 17.470 3.347 ( -4.470 -2.372 -2.454) 5.624 3.636 ( 12.292 1.890 0.270) 12.440 3.787 ( 1.471 -3.323 1.869) 4.086 4.017 ( -0.867 3.553 -6.966) 7.867 4.280 ( 3.008 8.559 -0.354) 9.079 4.389 ( 7.946 2.059 -11.456) 14.093 4.814 ( -17.447 -4.240 2.152) 18.083 5.017 ( 0.311 -0.525 -0.095) 0.617 5.232 ( -4.748 7.298 -0.851) 8.748 5.371 ( -14.587 1.114 -4.995) 15.459 5.767 ( -2.702 -7.659 2.156) 8.403 5.814 ( -4.347 0.087 -2.722) 5.130 5.917 ( 2.348 -0.912 -1.624) 2.997 6.118 ( -2.715 -0.559 -8.154) 8.612 6.892 ( -1.220 -1.255 9.975) 10.128 7.201 ( -1.312 -1.900 0.233) 2.321 7.391 ( 2.629 -0.715 20.038) 20.223 7.966 ( 1.246 2.462 6.952) 7.480 8.761 ( -2.578 2.422 -1.354) 3.787 9.128 ( 10.888 -3.740 -0.130) 11.513 9.389 ( -0.770 1.083 -4.879) 5.057 9.600 ( -6.985 -1.835 -4.865) 8.708 ======================= Grid point 169 (111/135) ======================= q-point: ( 0.57 -0.23 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.658 ( 0.000 -0.374 5.089) 5.102 1.806 ( 0.000 5.971 1.654) 6.196 2.073 ( 0.000 -2.844 18.397) 18.615 2.425 ( -0.000 -5.148 -3.923) 6.472 2.542 ( -0.000 1.079 -4.584) 4.709 2.937 ( 0.000 -0.031 13.457) 13.457 3.137 ( -0.000 -4.383 -4.748) 6.462 3.317 ( 0.000 -0.907 7.930) 7.982 3.386 ( 0.000 0.658 1.185) 1.355 3.741 ( -0.000 -0.654 -9.555) 9.578 3.882 ( 0.000 0.009 3.534) 3.534 3.905 ( 0.000 7.640 -2.814) 8.141 4.102 ( -0.000 -4.052 -16.529) 17.018 4.356 ( 0.000 4.466 -0.732) 4.525 4.707 ( 0.000 -1.360 3.681) 3.924 4.973 ( -0.000 2.701 -4.292) 5.071 5.060 ( -0.000 -1.671 -2.870) 3.321 5.211 ( 0.000 4.386 -0.515) 4.417 5.699 ( -0.000 0.087 -2.571) 2.572 5.811 ( 0.000 -5.559 3.119) 6.374 5.924 ( -0.000 0.862 -6.308) 6.367 5.966 ( 0.000 -2.063 1.957) 2.844 7.055 ( 0.000 0.103 8.526) 8.526 7.181 ( -0.000 -2.164 -1.045) 2.403 7.774 ( 0.000 0.365 15.938) 15.942 8.125 ( 0.000 4.986 7.837) 9.289 8.693 ( -0.000 -3.911 -1.665) 4.251 9.207 ( -0.000 -3.218 -5.888) 6.710 9.289 ( -0.000 0.448 -4.675) 4.697 9.461 ( 0.000 1.522 -0.110) 1.526 ======================= Grid point 172 (112/135) ======================= q-point: ( 0.36 -0.36 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.118 ( -9.068 11.757 -0.000) 14.848 1.151 ( -3.467 14.972 -0.000) 15.368 2.046 ( 6.107 6.236 -0.000) 8.728 2.176 ( -3.464 -5.761 0.000) 6.722 2.504 ( -1.549 -5.310 0.000) 5.531 2.742 ( 8.296 1.758 -0.000) 8.480 2.995 ( -3.933 0.684 -0.000) 3.992 3.453 ( 5.890 1.389 -0.000) 6.052 3.519 ( 11.767 -2.662 0.000) 12.065 3.562 ( 10.978 -8.062 0.000) 13.620 3.794 ( -3.458 -4.348 0.000) 5.556 3.980 ( 9.899 6.593 -0.000) 11.893 4.246 ( -2.301 1.058 -0.000) 2.532 4.544 ( 11.008 7.161 -0.000) 13.132 4.763 ( -12.859 -0.333 -0.000) 12.863 5.015 ( -4.583 4.028 -0.000) 6.101 5.172 ( -12.241 -0.432 -0.000) 12.249 5.414 ( -15.002 5.753 -0.000) 16.067 5.860 ( -5.485 -0.945 0.000) 5.566 5.923 ( 2.252 -8.757 0.000) 9.041 6.099 ( 2.371 -6.266 0.000) 6.699 6.578 ( -1.144 3.320 -0.000) 3.512 6.611 ( -0.407 -0.117 0.000) 0.423 6.707 ( 0.535 -4.994 0.000) 5.022 7.225 ( -1.788 -2.438 0.000) 3.023 7.792 ( 1.119 2.195 -0.000) 2.463 8.622 ( 3.884 8.830 -0.000) 9.647 9.240 ( 6.090 -5.732 0.000) 8.363 9.471 ( -0.255 0.550 -0.000) 0.606 9.802 ( -7.746 -4.884 0.000) 9.157 ======================= Grid point 177 (113/135) ======================= q-point: ( 0.36 -0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 207 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.152 ( 0.000 11.892 12.534) 17.278 1.196 ( 0.000 12.361 8.222) 14.845 1.997 ( -0.000 10.006 -6.030) 11.682 2.331 ( 0.000 2.365 11.126) 11.375 2.546 ( 0.000 -12.980 8.181) 15.343 2.818 ( -0.000 -1.108 -4.914) 5.038 2.998 ( 0.000 1.104 7.975) 8.051 3.463 ( -0.000 0.894 -5.171) 5.247 3.516 ( -0.000 -9.262 -5.419) 10.731 3.773 ( 0.000 -4.235 2.611) 4.976 3.806 ( 0.000 3.259 2.154) 3.906 4.106 ( -0.000 -0.779 -8.907) 8.941 4.289 ( 0.000 0.105 0.562) 0.572 4.487 ( 0.000 -3.218 4.685) 5.684 4.615 ( 0.000 4.543 -2.326) 5.104 5.019 ( 0.000 3.181 -0.721) 3.262 5.080 ( 0.000 6.005 0.203) 6.008 5.146 ( 0.000 9.373 -3.386) 9.965 5.783 ( -0.000 0.103 -1.863) 1.866 5.940 ( -0.000 -12.220 -0.241) 12.222 6.095 ( -0.000 -4.479 -3.415) 5.633 6.247 ( -0.000 3.536 -14.350) 14.779 6.776 ( 0.000 -4.169 5.989) 7.297 7.018 ( 0.000 -2.025 22.805) 22.894 7.225 ( 0.000 -2.943 1.961) 3.537 7.835 ( 0.000 2.491 3.281) 4.119 8.666 ( 0.000 5.825 1.501) 6.015 9.330 ( -0.000 -1.066 -0.338) 1.118 9.501 ( -0.000 -2.006 -1.348) 2.417 9.591 ( -0.000 -4.270 -6.410) 7.702 ======================= Grid point 181 (114/135) ======================= q-point: (-0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.428 ( 3.938 -0.000 0.000) 3.938 1.676 ( 6.590 -0.000 0.000) 6.590 1.855 ( -10.454 0.000 -0.000) 10.454 2.219 ( 1.773 -0.000 0.000) 1.773 2.449 ( -19.874 0.000 -0.000) 19.874 2.473 ( -6.706 0.000 -0.000) 6.706 2.862 ( -0.918 0.000 -0.000) 0.918 3.109 ( -0.741 0.000 -0.000) 0.741 3.129 ( 4.339 -0.000 0.000) 4.339 3.192 ( 26.746 -0.000 0.000) 26.746 3.636 ( -2.265 0.000 -0.000) 2.265 3.945 ( -4.287 0.000 -0.000) 4.287 4.111 ( 6.810 -0.000 0.000) 6.810 4.365 ( 1.783 -0.000 0.000) 1.783 5.010 ( 0.350 -0.000 0.000) 0.350 5.303 ( 2.459 -0.000 0.000) 2.459 5.687 ( -2.106 0.000 -0.000) 2.106 5.723 ( -7.838 0.000 -0.000) 7.838 6.097 ( -5.048 0.000 -0.000) 5.048 6.171 ( -3.455 0.000 -0.000) 3.455 6.293 ( 0.791 -0.000 0.000) 0.791 6.477 ( 0.895 -0.000 0.000) 0.895 6.540 ( 1.406 -0.000 0.000) 1.406 6.820 ( -2.884 0.000 -0.000) 2.884 7.343 ( -2.350 0.000 -0.000) 2.350 7.688 ( 2.518 -0.000 0.000) 2.518 8.266 ( 5.896 -0.000 0.000) 5.896 9.315 ( -6.030 0.000 -0.000) 6.030 9.634 ( -1.372 0.000 -0.000) 1.372 9.790 ( 3.157 -0.000 0.000) 3.157 ======================= Grid point 186 (115/135) ======================= q-point: (-0.26 0.37 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.430 ( 1.575 0.000 4.399) 4.672 1.682 ( -8.982 0.000 2.011) 9.204 2.048 ( -14.032 0.000 1.727) 14.138 2.063 ( 15.853 0.000 6.382) 17.089 2.389 ( 8.683 -0.000 1.691) 8.846 2.395 ( -6.822 0.000 7.397) 10.062 2.843 ( 3.283 -0.000 -6.265) 7.073 2.990 ( -1.130 -0.000 -8.079) 8.158 3.265 ( 7.668 -0.000 1.790) 7.874 3.431 ( -1.208 0.000 0.771) 1.433 3.808 ( 4.125 -0.000 -2.709) 4.935 3.908 ( 12.744 -0.000 1.667) 12.853 4.161 ( 5.555 -0.000 -9.520) 11.022 4.329 ( 2.189 -0.000 -5.034) 5.489 5.027 ( -2.189 0.000 3.577) 4.193 5.329 ( -4.565 0.000 2.143) 5.043 5.535 ( -5.459 -0.000 -3.137) 6.296 5.635 ( -2.713 0.000 0.342) 2.734 5.939 ( -9.078 0.000 0.082) 9.079 6.081 ( -3.452 0.000 -0.997) 3.593 6.182 ( -6.206 -0.000 -5.263) 8.137 6.326 ( -0.747 -0.000 -11.835) 11.858 6.724 ( -2.311 0.000 14.195) 14.381 6.954 ( 0.456 0.000 14.313) 14.320 7.288 ( -3.640 0.000 0.473) 3.671 7.787 ( 2.783 0.000 4.356) 5.170 8.485 ( 11.125 0.000 4.880) 12.148 9.143 ( -7.839 -0.000 -3.287) 8.500 9.562 ( -1.769 -0.000 -3.996) 4.370 9.792 ( 0.933 -0.000 -4.214) 4.316 ======================= Grid point 191 (116/135) ======================= q-point: (-0.26 0.49 -0.74) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 219 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.520 ( -5.886 0.000 3.785) 6.998 1.691 ( 11.575 -0.000 3.490) 12.090 1.988 ( -10.068 0.000 13.249) 16.641 2.399 ( -1.025 0.000 12.242) 12.285 2.527 ( 5.995 -0.000 -6.144) 8.584 2.564 ( 3.641 0.000 4.709) 5.952 2.828 ( 17.417 -0.000 -6.134) 18.465 2.899 ( 5.843 -0.000 -2.064) 6.197 3.394 ( -1.985 -0.000 -0.795) 2.138 3.465 ( 8.628 -0.000 0.965) 8.681 3.753 ( -1.238 0.000 0.072) 1.241 4.018 ( 2.579 -0.000 -11.279) 11.570 4.213 ( 13.605 -0.000 -2.547) 13.841 4.272 ( 5.799 -0.000 -9.963) 11.528 5.053 ( -4.214 0.000 5.331) 6.795 5.118 ( -15.600 0.000 -2.132) 15.745 5.413 ( -3.355 0.000 -1.171) 3.553 5.587 ( -6.151 0.000 -1.617) 6.360 5.775 ( -10.100 0.000 3.365) 10.646 5.940 ( -7.277 -0.000 -3.369) 8.019 5.962 ( -3.664 -0.000 -2.289) 4.320 6.119 ( 0.328 -0.000 -8.609) 8.615 6.924 ( -3.448 0.000 12.395) 12.865 7.225 ( -2.989 0.000 -0.034) 2.990 7.320 ( 3.778 0.000 18.558) 18.939 7.952 ( 2.378 0.000 7.463) 7.833 8.834 ( 12.687 0.000 5.072) 13.663 8.908 ( -7.203 -0.000 -5.030) 8.785 9.430 ( -1.671 -0.000 -5.716) 5.955 9.671 ( -2.321 -0.000 -6.381) 6.790 ======================= Grid point 197 (117/135) ======================= q-point: ( 0.73 -0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.625 ( 1.398 0.000 5.533) 5.707 1.842 ( 2.492 -0.000 -2.179) 3.311 2.111 ( -6.268 0.000 18.440) 19.476 2.399 ( -2.167 -0.000 -4.784) 5.252 2.497 ( 5.227 -0.000 -4.338) 6.792 2.856 ( 7.911 0.000 16.364) 18.176 3.027 ( 5.548 -0.000 -2.681) 6.162 3.231 ( 16.284 -0.000 2.488) 16.473 3.351 ( -2.698 0.000 3.652) 4.540 3.606 ( 9.447 -0.000 -5.070) 10.721 3.818 ( 4.722 0.000 3.382) 5.808 3.854 ( 3.027 -0.000 -11.999) 12.375 4.158 ( 1.442 -0.000 -12.124) 12.209 4.356 ( 6.931 -0.000 -3.077) 7.583 4.778 ( -11.516 0.000 0.191) 11.518 5.044 ( -4.121 0.000 2.231) 4.686 5.228 ( -16.508 0.000 -5.682) 17.459 5.322 ( -4.446 0.000 -1.402) 4.662 5.740 ( -4.412 -0.000 -3.422) 5.583 5.773 ( -2.198 0.000 5.739) 6.146 5.952 ( -0.650 0.000 3.160) 3.226 5.961 ( -2.091 -0.000 -6.813) 7.126 7.073 ( -1.877 0.000 9.273) 9.461 7.173 ( -1.343 -0.000 -0.972) 1.658 7.743 ( 3.537 0.000 16.367) 16.745 8.159 ( 1.885 0.000 9.695) 9.877 8.693 ( -4.175 -0.000 -5.287) 6.737 9.092 ( 7.284 -0.000 -1.284) 7.396 9.301 ( -0.749 -0.000 -4.802) 4.860 9.510 ( -2.349 -0.000 -3.367) 4.106 ======================= Grid point 201 (118/135) ======================= q-point: ( 0.52 -0.52 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.438 ( 3.551 11.603 -0.000) 12.134 1.457 ( -9.697 4.554 -0.000) 10.713 1.821 ( -2.267 -9.341 0.000) 9.612 2.194 ( -6.643 -3.234 0.000) 7.388 2.364 ( 13.240 -3.154 0.000) 13.610 2.585 ( 10.501 0.988 0.000) 10.548 3.046 ( -1.747 -0.168 -0.000) 1.755 3.106 ( 14.472 -2.112 0.000) 14.626 3.365 ( 6.269 1.453 -0.000) 6.435 3.416 ( -2.454 -6.575 0.000) 7.018 3.796 ( -3.666 -2.311 0.000) 4.334 4.098 ( 7.912 13.193 -0.000) 15.384 4.320 ( -3.073 0.535 -0.000) 3.119 4.409 ( 10.860 4.025 -0.000) 11.582 4.935 ( -3.129 1.528 -0.000) 3.483 5.130 ( -2.495 3.327 -0.000) 4.159 5.383 ( -10.905 -0.669 -0.000) 10.925 5.718 ( -11.438 -1.613 0.000) 11.551 5.794 ( -4.669 -13.586 0.000) 14.366 5.960 ( -0.668 6.741 -0.000) 6.774 6.052 ( -7.727 0.559 -0.000) 7.748 6.582 ( 0.833 -3.072 0.000) 3.183 6.609 ( 0.826 -2.271 0.000) 2.417 6.682 ( -2.303 2.179 -0.000) 3.170 7.234 ( -3.100 -1.870 0.000) 3.621 7.789 ( 2.259 1.072 -0.000) 2.500 8.629 ( 12.211 7.206 -0.000) 14.178 9.082 ( -4.654 -6.333 0.000) 7.859 9.535 ( -2.323 2.035 -0.000) 3.088 9.838 ( -3.433 -3.205 0.000) 4.696 ======================= Grid point 203 (119/135) ======================= q-point: (-0.28 -0.28 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.596 ( -0.000 -0.000 -8.096) 8.096 1.780 ( -0.000 -0.000 -5.402) 5.402 2.307 ( -0.000 -0.000 -2.406) 2.406 2.493 ( 0.000 0.000 24.339) 24.339 2.546 ( 0.000 0.000 1.150) 1.150 2.992 ( -0.000 -0.000 -1.824) 1.824 3.263 ( 0.000 0.000 12.290) 12.290 3.433 ( -0.000 -0.000 -22.011) 22.011 3.444 ( 0.000 0.000 4.729) 4.729 3.453 ( 0.000 0.000 7.168) 7.168 3.779 ( -0.000 -0.000 -7.436) 7.436 3.903 ( -0.000 -0.000 -4.663) 4.663 3.992 ( 0.000 0.000 5.228) 5.228 4.377 ( -0.000 -0.000 -2.313) 2.313 4.751 ( 0.000 0.000 2.154) 2.154 4.923 ( -0.000 -0.000 -2.798) 2.798 4.980 ( -0.000 -0.000 -2.960) 2.960 5.205 ( -0.000 -0.000 -3.876) 3.876 5.668 ( 0.000 0.000 0.303) 0.303 5.811 ( -0.000 -0.000 -5.457) 5.457 5.859 ( 0.000 0.000 5.192) 5.192 6.019 ( 0.000 0.000 4.329) 4.329 7.133 ( -0.000 -0.000 -1.753) 1.753 7.208 ( 0.000 0.000 6.715) 6.715 8.024 ( 0.000 0.000 8.470) 8.470 8.382 ( 0.000 0.000 10.965) 10.965 8.551 ( -0.000 -0.000 -5.277) 5.277 9.046 ( -0.000 -0.000 -7.558) 7.558 9.234 ( -0.000 -0.000 -1.145) 1.145 9.482 ( 0.000 0.000 0.084) 0.084 ======================= Grid point 206 (120/135) ======================= q-point: ( 0.52 -0.41 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.316 ( -2.052 6.695 3.881) 8.006 1.474 ( -7.414 7.964 9.574) 14.493 1.983 ( 7.103 -3.215 -2.452) 8.173 2.212 ( 4.036 -4.090 10.171) 11.682 2.521 ( -1.554 -0.459 3.624) 3.970 2.749 ( 5.187 -0.742 -2.780) 5.932 3.006 ( 1.372 -0.201 1.231) 1.854 3.341 ( 15.014 -1.017 -7.364) 16.753 3.385 ( -2.148 -5.942 -0.642) 6.351 3.598 ( 13.819 1.380 3.661) 14.362 3.745 ( -1.129 -3.671 1.889) 4.280 4.140 ( -0.404 7.668 -5.348) 9.357 4.265 ( 1.128 6.552 0.907) 6.710 4.561 ( 8.461 1.388 -5.132) 9.993 4.775 ( -18.953 -1.525 1.086) 19.045 5.025 ( -0.152 -1.855 -0.538) 1.937 5.241 ( -3.833 7.947 -0.297) 8.828 5.454 ( -13.221 1.677 -3.135) 13.690 5.729 ( -2.169 -11.165 1.178) 11.434 5.870 ( -4.999 2.790 -2.351) 6.189 5.970 ( 2.241 -3.270 -3.463) 5.264 6.320 ( -1.481 0.822 -13.146) 13.255 6.713 ( 0.154 -2.334 8.003) 8.338 6.993 ( 1.082 -0.031 20.619) 20.647 7.194 ( -1.586 -2.006 0.841) 2.692 7.861 ( 1.211 1.469 3.895) 4.336 8.775 ( -0.476 6.436 -0.194) 6.457 9.127 ( 11.138 -5.685 0.046) 12.505 9.466 ( -1.306 1.609 -2.887) 3.554 9.680 ( -8.769 -3.739 -3.205) 10.057 ======================= Grid point 211 (121/135) ======================= q-point: ( 0.51 -0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 207 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.512 ( 0.000 3.709 8.774) 9.525 1.595 ( 0.000 6.389 16.534) 17.725 1.962 ( -0.000 -0.620 -2.887) 2.952 2.453 ( -0.000 -2.991 0.922) 3.130 2.617 ( 0.000 -3.156 10.446) 10.912 2.682 ( -0.000 -1.685 -2.016) 2.627 3.160 ( 0.000 -0.005 8.092) 8.092 3.270 ( -0.000 -4.673 -6.849) 8.291 3.405 ( -0.000 1.062 -2.871) 3.061 3.784 ( 0.000 -2.324 5.217) 5.711 3.913 ( -0.000 -0.728 -9.100) 9.129 3.933 ( 0.000 6.456 0.246) 6.461 4.354 ( 0.000 4.360 0.857) 4.444 4.399 ( -0.000 -1.431 -11.646) 11.733 4.630 ( 0.000 -1.084 3.610) 3.770 5.044 ( -0.000 2.510 -2.264) 3.380 5.145 ( -0.000 2.038 -6.706) 7.009 5.207 ( 0.000 5.255 0.673) 5.298 5.749 ( -0.000 -9.609 2.756) 9.996 5.762 ( -0.000 2.094 -3.494) 4.073 5.953 ( -0.000 -4.597 -0.920) 4.688 6.079 ( -0.000 2.336 -9.745) 10.021 6.882 ( 0.000 -1.170 9.371) 9.443 7.189 ( -0.000 -1.907 0.305) 1.931 7.419 ( 0.000 -0.549 20.683) 20.690 7.979 ( 0.000 2.616 6.983) 7.457 8.728 ( -0.000 0.618 -1.769) 1.874 9.284 ( -0.000 -1.534 -2.700) 3.105 9.406 ( -0.000 -1.638 -6.527) 6.729 9.464 ( -0.000 -0.115 -0.159) 0.196 ======================= Grid point 219 (122/135) ======================= q-point: ( 0.30 -0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.023 ( 0.000 13.774 -0.000) 13.774 1.113 ( 0.000 14.029 -0.000) 14.029 2.130 ( 0.000 22.989 -0.000) 22.989 2.141 ( -0.000 -6.044 0.000) 6.044 2.465 ( -0.000 -14.214 0.000) 14.214 2.867 ( -0.000 -0.708 0.000) 0.708 2.914 ( 0.000 3.715 -0.000) 3.715 3.525 ( 0.000 0.243 -0.000) 0.243 3.569 ( -0.000 -11.598 0.000) 11.598 3.747 ( -0.000 -3.572 0.000) 3.572 3.770 ( 0.000 2.864 -0.000) 2.864 4.222 ( 0.000 0.668 -0.000) 0.668 4.283 ( -0.000 -0.564 0.000) 0.564 4.402 ( -0.000 -4.913 0.000) 4.913 4.644 ( 0.000 6.477 -0.000) 6.477 5.025 ( 0.000 3.108 -0.000) 3.108 5.079 ( 0.000 5.349 -0.000) 5.349 5.183 ( 0.000 11.298 -0.000) 11.298 5.802 ( -0.000 -0.217 0.000) 0.217 5.943 ( -0.000 -12.915 0.000) 12.915 6.135 ( -0.000 -4.292 0.000) 4.292 6.566 ( 0.000 3.284 -0.000) 3.284 6.607 ( 0.000 0.160 -0.000) 0.160 6.713 ( -0.000 -5.146 0.000) 5.146 7.207 ( -0.000 -2.448 0.000) 2.448 7.804 ( 0.000 2.247 -0.000) 2.247 8.651 ( 0.000 7.186 -0.000) 7.186 9.333 ( -0.000 -0.693 0.000) 0.693 9.515 ( -0.000 -2.630 0.000) 2.630 9.656 ( -0.000 -6.232 0.000) 6.232 ======================= Grid point 228 (123/135) ======================= q-point: (-0.31 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.387 ( 1.454 -0.000 0.000) 1.454 1.656 ( -6.384 0.000 -0.000) 6.384 2.000 ( 16.797 -0.000 0.000) 16.797 2.042 ( -20.195 0.000 -0.000) 20.195 2.318 ( -8.357 0.000 -0.000) 8.357 2.369 ( 11.314 -0.000 0.000) 11.314 2.906 ( 5.203 -0.000 0.000) 5.203 3.082 ( -1.775 0.000 -0.000) 1.775 3.245 ( 6.783 -0.000 0.000) 6.783 3.410 ( -1.957 0.000 -0.000) 1.957 3.860 ( -4.376 0.000 -0.000) 4.376 3.867 ( 21.851 -0.000 0.000) 21.851 4.268 ( 8.876 -0.000 0.000) 8.876 4.369 ( -1.217 0.000 -0.000) 1.217 4.989 ( -2.130 0.000 -0.000) 2.130 5.301 ( -3.176 0.000 -0.000) 3.176 5.578 ( -6.542 0.000 -0.000) 6.542 5.633 ( -3.115 0.000 -0.000) 3.115 5.941 ( -10.573 0.000 -0.000) 10.573 6.092 ( -4.466 0.000 -0.000) 4.466 6.237 ( -6.031 0.000 -0.000) 6.031 6.502 ( 1.742 -0.000 0.000) 1.742 6.566 ( 1.180 -0.000 0.000) 1.180 6.761 ( -3.009 0.000 -0.000) 3.009 7.283 ( -3.498 0.000 -0.000) 3.498 7.745 ( 2.994 -0.000 0.000) 2.994 8.436 ( 11.343 -0.000 0.000) 11.343 9.175 ( -8.001 0.000 -0.000) 8.001 9.601 ( -2.012 0.000 -0.000) 2.012 9.832 ( 0.758 -0.000 0.000) 0.758 ======================= Grid point 233 (124/135) ======================= q-point: (-0.32 0.43 -0.68) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 219 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.490 ( -8.776 0.000 -0.165) 8.777 1.630 ( 16.611 -0.000 2.869) 16.857 1.774 ( -12.860 0.000 8.632) 15.489 2.215 ( -4.179 0.000 6.147) 7.433 2.418 ( 10.444 0.000 7.871) 13.078 2.592 ( 9.790 -0.000 -0.954) 9.836 2.976 ( 0.106 -0.000 -5.374) 5.375 2.992 ( 13.111 -0.000 -8.422) 15.583 3.383 ( -2.820 0.000 2.096) 3.514 3.421 ( 8.173 -0.000 3.173) 8.767 3.762 ( -3.343 0.000 -0.979) 3.483 4.218 ( 0.000 -0.000 -9.170) 9.170 4.234 ( 13.240 -0.000 -0.026) 13.240 4.418 ( 6.958 -0.000 -4.421) 8.243 4.978 ( -1.667 0.000 2.535) 3.034 5.137 ( -15.279 0.000 -0.270) 15.281 5.445 ( -4.080 -0.000 -1.826) 4.469 5.592 ( -1.619 0.000 0.505) 1.696 5.724 ( -12.244 0.000 1.905) 12.391 5.988 ( -5.008 0.000 -1.847) 5.338 6.038 ( -7.390 -0.000 -4.368) 8.585 6.326 ( 0.307 -0.000 -12.854) 12.858 6.696 ( -0.685 0.000 10.274) 10.297 6.970 ( 1.102 0.000 17.824) 17.858 7.221 ( -2.988 0.000 0.381) 3.012 7.839 ( 2.294 0.000 4.182) 4.770 8.746 ( 15.046 -0.000 3.726) 15.501 8.984 ( -7.960 0.000 -2.807) 8.440 9.522 ( -2.098 -0.000 -3.611) 4.177 9.769 ( -3.634 -0.000 -3.597) 5.113 ======================= Grid point 239 (125/135) ======================= q-point: ( 0.67 -0.45 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.485 ( 1.874 0.000 7.570) 7.799 1.788 ( -9.637 0.000 15.001) 17.830 1.892 ( 6.735 -0.000 -2.973) 7.362 2.389 ( 1.667 0.000 8.179) 8.348 2.600 ( 0.475 0.000 7.808) 7.822 2.621 ( 3.525 -0.000 -7.419) 8.214 3.038 ( 7.605 -0.000 1.723) 7.798 3.228 ( 18.268 -0.000 -2.732) 18.471 3.326 ( -5.031 0.000 -0.683) 5.077 3.659 ( 12.256 -0.000 -0.411) 12.263 3.749 ( 0.758 0.000 3.444) 3.527 4.043 ( -0.222 -0.000 -8.341) 8.344 4.388 ( 3.757 -0.000 -0.435) 3.782 4.407 ( 6.459 -0.000 -12.381) 13.964 4.760 ( -18.315 0.000 1.476) 18.374 5.013 ( 1.638 0.000 0.951) 1.894 5.341 ( -4.912 0.000 -0.615) 4.950 5.354 ( -14.883 -0.000 -6.871) 16.393 5.665 ( -2.012 0.000 5.143) 5.523 5.824 ( -3.660 -0.000 -5.078) 6.259 5.913 ( -1.553 0.000 0.765) 1.732 6.113 ( -0.798 -0.000 -9.383) 9.417 6.881 ( -1.129 0.000 10.594) 10.654 7.183 ( -1.317 0.000 -0.016) 1.317 7.388 ( 2.796 0.000 20.303) 20.494 7.990 ( 1.395 0.000 7.749) 7.874 8.784 ( -4.921 -0.000 -4.146) 6.434 9.090 ( 12.806 -0.000 1.170) 12.860 9.401 ( -1.124 -0.000 -5.260) 5.379 9.581 ( -6.744 -0.000 -3.734) 7.709 ======================= Grid point 245 (126/135) ======================= q-point: ( 0.67 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.647 ( 0.000 0.000 2.524) 2.524 1.864 ( -0.000 -0.000 -4.381) 4.381 2.041 ( 0.000 0.000 22.481) 22.481 2.376 ( -0.000 -0.000 -3.586) 3.586 2.556 ( -0.000 -0.000 -3.148) 3.148 2.945 ( 0.000 0.000 18.265) 18.265 3.089 ( -0.000 -0.000 -7.182) 7.182 3.310 ( 0.000 0.000 7.775) 7.775 3.390 ( 0.000 0.000 0.747) 0.747 3.735 ( -0.000 -0.000 -9.786) 9.786 3.882 ( 0.000 0.000 6.311) 6.311 3.977 ( -0.000 -0.000 -2.732) 2.732 4.064 ( -0.000 -0.000 -19.517) 19.517 4.406 ( -0.000 -0.000 -0.776) 0.776 4.695 ( 0.000 0.000 3.702) 3.702 5.010 ( -0.000 -0.000 -6.420) 6.420 5.030 ( -0.000 -0.000 -2.341) 2.341 5.252 ( -0.000 -0.000 -1.185) 1.185 5.700 ( -0.000 -0.000 -3.531) 3.531 5.752 ( 0.000 0.000 5.860) 5.860 5.935 ( -0.000 -0.000 -7.590) 7.590 5.945 ( 0.000 0.000 3.274) 3.274 7.056 ( 0.000 0.000 9.103) 9.103 7.161 ( -0.000 -0.000 -1.059) 1.059 7.781 ( 0.000 0.000 16.506) 16.506 8.179 ( 0.000 0.000 10.173) 10.173 8.649 ( -0.000 -0.000 -4.867) 4.867 9.175 ( -0.000 -0.000 -5.948) 5.948 9.293 ( -0.000 -0.000 -4.586) 4.586 9.476 ( 0.000 0.000 0.579) 0.579 ======================= Grid point 249 (127/135) ======================= q-point: ( 0.46 -0.46 0.34) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( -6.586 6.901 -0.000) 9.539 1.368 ( -5.887 8.738 -0.000) 10.536 2.028 ( 16.619 -3.839 0.000) 17.057 2.087 ( -3.904 -3.860 0.000) 5.490 2.486 ( -0.740 0.489 -0.000) 0.887 2.766 ( 7.520 0.880 -0.000) 7.571 3.005 ( -2.445 0.363 -0.000) 2.471 3.382 ( -0.945 -8.136 0.000) 8.191 3.476 ( 4.650 1.036 -0.000) 4.764 3.502 ( 24.028 -1.474 0.000) 24.073 3.729 ( -2.966 -2.649 0.000) 3.977 4.193 ( 3.572 14.586 -0.000) 15.017 4.259 ( -2.638 0.438 -0.000) 2.674 4.595 ( 3.702 -1.286 0.000) 3.919 4.774 ( -14.855 1.633 -0.000) 14.945 5.031 ( -1.291 -1.995 0.000) 2.377 5.244 ( -4.019 7.728 -0.000) 8.710 5.483 ( -11.119 1.418 -0.000) 11.209 5.719 ( -2.155 -11.446 0.000) 11.647 5.894 ( -5.711 2.927 -0.000) 6.418 6.012 ( 2.539 -3.502 0.000) 4.325 6.600 ( 0.891 -0.816 0.000) 1.208 6.620 ( 0.196 -0.438 0.000) 0.480 6.647 ( -1.106 -0.026 -0.000) 1.106 7.185 ( -1.778 -1.847 0.000) 2.564 7.823 ( 1.191 1.158 -0.000) 1.661 8.775 ( 0.816 7.894 -0.000) 7.936 9.127 ( 10.748 -6.464 0.000) 12.542 9.494 ( -1.680 1.872 -0.000) 2.515 9.712 ( -9.179 -4.599 0.000) 10.267 ======================= Grid point 254 (128/135) ======================= q-point: ( 0.46 -0.34 0.34) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.326 ( 0.000 7.017 10.555) 12.674 1.364 ( 0.000 6.193 5.947) 8.586 2.027 ( -0.000 -2.119 -2.569) 3.330 2.375 ( 0.000 -5.873 10.009) 11.605 2.418 ( 0.000 4.144 1.725) 4.489 2.798 ( -0.000 -1.084 -5.494) 5.599 3.025 ( 0.000 1.308 5.650) 5.799 3.361 ( -0.000 -6.995 -2.242) 7.345 3.479 ( -0.000 0.550 -4.162) 4.198 3.710 ( 0.000 -2.566 2.158) 3.353 3.894 ( 0.000 4.715 3.271) 5.739 4.091 ( -0.000 -0.766 -9.371) 9.402 4.333 ( 0.000 4.689 1.026) 4.800 4.438 ( 0.000 -1.983 5.728) 6.061 4.657 ( -0.000 0.776 -4.769) 4.832 5.069 ( 0.000 2.395 -0.716) 2.500 5.193 ( 0.000 5.417 0.709) 5.464 5.281 ( -0.000 5.254 -6.225) 8.146 5.714 ( -0.000 -11.630 0.929) 11.667 5.813 ( -0.000 3.169 -1.694) 3.593 6.001 ( -0.000 -5.780 -3.484) 6.749 6.302 ( -0.000 2.351 -13.929) 14.126 6.716 ( 0.000 -2.366 7.314) 7.687 7.005 ( 0.000 0.074 21.570) 21.570 7.179 ( 0.000 -2.013 1.073) 2.281 7.873 ( 0.000 1.525 3.917) 4.203 8.754 ( 0.000 3.694 -0.928) 3.809 9.320 ( -0.000 -0.054 -1.152) 1.153 9.467 ( -0.000 -1.615 -0.152) 1.622 9.511 ( -0.000 -3.928 -4.116) 5.690 ======================= Grid point 276 (129/135) ======================= q-point: (-0.37 0.37 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.499 ( -8.428 0.000 -0.000) 8.428 1.598 ( 18.078 -0.000 0.000) 18.078 1.685 ( -15.452 0.000 -0.000) 15.452 2.162 ( -7.116 0.000 -0.000) 7.116 2.331 ( 14.109 -0.000 0.000) 14.109 2.595 ( 10.765 -0.000 0.000) 10.765 3.045 ( -1.924 0.000 -0.000) 1.924 3.087 ( 14.293 -0.000 0.000) 14.293 3.348 ( -3.093 0.000 -0.000) 3.093 3.379 ( 6.426 -0.000 0.000) 6.426 3.775 ( -4.127 0.000 -0.000) 4.127 4.231 ( 13.238 -0.000 0.000) 13.238 4.324 ( -3.043 0.000 -0.000) 3.043 4.445 ( 8.558 -0.000 0.000) 8.558 4.954 ( -0.379 0.000 -0.000) 0.379 5.139 ( -13.995 0.000 -0.000) 13.995 5.466 ( -5.230 0.000 -0.000) 5.230 5.585 ( -1.281 0.000 -0.000) 1.281 5.706 ( -12.405 0.000 -0.000) 12.405 6.008 ( -3.549 0.000 -0.000) 3.549 6.086 ( -8.405 0.000 -0.000) 8.405 6.545 ( 2.452 -0.000 0.000) 2.452 6.586 ( 0.924 -0.000 0.000) 0.924 6.705 ( -2.630 0.000 -0.000) 2.630 7.216 ( -3.094 0.000 -0.000) 3.094 7.798 ( 2.319 -0.000 0.000) 2.319 8.708 ( 15.952 -0.000 0.000) 15.952 9.011 ( -8.238 0.000 -0.000) 8.238 9.558 ( -2.267 0.000 -0.000) 2.267 9.803 ( -4.084 0.000 -0.000) 4.084 ======================= Grid point 282 (130/135) ======================= q-point: (-0.38 0.49 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.377 ( -2.235 0.000 3.292) 3.979 1.551 ( -9.594 0.000 9.539) 13.529 1.946 ( 10.255 -0.000 -2.641) 10.590 2.175 ( 4.281 0.000 10.678) 11.505 2.518 ( -0.682 0.000 2.742) 2.825 2.740 ( 4.912 -0.000 -4.204) 6.465 3.002 ( 2.401 -0.000 0.723) 2.507 3.328 ( -2.739 0.000 1.321) 3.041 3.332 ( 16.498 -0.000 -7.528) 18.134 3.616 ( 13.996 -0.000 4.875) 14.821 3.707 ( -2.044 0.000 0.771) 2.184 4.188 ( -2.801 -0.000 -6.633) 7.200 4.383 ( 2.563 -0.000 0.656) 2.646 4.558 ( 5.224 -0.000 -1.988) 5.590 4.756 ( -20.799 0.000 -2.149) 20.909 5.005 ( 4.677 -0.000 0.039) 4.677 5.348 ( -6.204 0.000 -0.183) 6.207 5.460 ( -11.308 0.000 -3.568) 11.858 5.593 ( -0.471 0.000 2.114) 2.166 5.920 ( -1.610 -0.000 -4.526) 4.803 5.921 ( -4.137 0.000 -1.293) 4.334 6.328 ( -0.176 -0.000 -13.306) 13.307 6.692 ( 0.141 0.000 8.384) 8.386 6.994 ( 1.186 0.000 20.383) 20.418 7.175 ( -1.581 0.000 0.653) 1.711 7.874 ( 1.262 0.000 4.232) 4.416 8.846 ( -5.469 -0.000 -2.292) 5.930 9.062 ( 16.438 -0.000 1.467) 16.503 9.486 ( -1.404 -0.000 -3.333) 3.617 9.640 ( -9.420 0.000 -2.259) 9.687 ======================= Grid point 288 (131/135) ======================= q-point: ( 0.61 -0.39 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.542 ( 0.000 0.000 7.107) 7.107 1.656 ( 0.000 0.000 17.488) 17.488 1.950 ( -0.000 -0.000 -4.090) 4.090 2.424 ( -0.000 -0.000 -1.620) 1.620 2.601 ( 0.000 0.000 17.129) 17.129 2.658 ( -0.000 -0.000 -6.775) 6.775 3.162 ( 0.000 0.000 7.516) 7.516 3.226 ( -0.000 -0.000 -6.195) 6.195 3.413 ( -0.000 -0.000 -2.842) 2.842 3.762 ( 0.000 0.000 5.745) 5.745 3.906 ( -0.000 -0.000 -9.019) 9.019 3.993 ( 0.000 0.000 1.231) 1.231 4.385 ( -0.000 -0.000 -11.963) 11.963 4.409 ( 0.000 0.000 0.427) 0.427 4.619 ( 0.000 0.000 3.142) 3.142 5.069 ( -0.000 -0.000 -1.732) 1.732 5.163 ( -0.000 -0.000 -9.204) 9.204 5.258 ( 0.000 0.000 0.399) 0.399 5.649 ( 0.000 0.000 4.527) 4.527 5.793 ( -0.000 -0.000 -5.958) 5.958 5.898 ( 0.000 0.000 1.661) 1.661 6.102 ( -0.000 -0.000 -10.003) 10.003 6.871 ( 0.000 0.000 10.001) 10.001 7.170 ( 0.000 0.000 0.099) 0.099 7.418 ( 0.000 0.000 20.989) 20.989 8.004 ( 0.000 0.000 7.875) 7.875 8.733 ( -0.000 -0.000 -3.781) 3.781 9.269 ( -0.000 -0.000 -3.862) 3.862 9.389 ( -0.000 -0.000 -5.071) 5.071 9.463 ( 0.000 0.000 0.708) 0.708 ======================= Grid point 298 (132/135) ======================= q-point: ( 0.40 -0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.221 ( 0.000 7.922 -0.000) 7.922 1.305 ( 0.000 7.150 -0.000) 7.150 2.047 ( -0.000 -4.036 0.000) 4.036 2.276 ( -0.000 -6.688 0.000) 6.688 2.404 ( 0.000 8.375 -0.000) 8.375 2.856 ( -0.000 -0.476 0.000) 0.476 2.966 ( 0.000 2.035 -0.000) 2.035 3.374 ( -0.000 -8.926 0.000) 8.926 3.528 ( 0.000 0.138 -0.000) 0.138 3.694 ( -0.000 -2.124 0.000) 2.124 3.851 ( 0.000 4.147 -0.000) 4.147 4.231 ( 0.000 0.284 -0.000) 0.284 4.322 ( 0.000 4.835 -0.000) 4.835 4.328 ( -0.000 -3.067 0.000) 3.067 4.707 ( 0.000 1.359 -0.000) 1.359 5.076 ( 0.000 2.545 -0.000) 2.545 5.185 ( 0.000 5.338 -0.000) 5.338 5.345 ( 0.000 6.118 -0.000) 6.118 5.707 ( -0.000 -11.940 0.000) 11.940 5.829 ( 0.000 2.955 -0.000) 2.955 6.044 ( -0.000 -5.473 0.000) 5.473 6.610 ( 0.000 0.206 -0.000) 0.206 6.619 ( 0.000 2.344 -0.000) 2.344 6.638 ( -0.000 -2.941 0.000) 2.941 7.167 ( -0.000 -1.826 0.000) 1.826 7.835 ( 0.000 1.181 -0.000) 1.181 8.763 ( 0.000 4.826 -0.000) 4.826 9.331 ( 0.000 0.385 -0.000) 0.385 9.468 ( -0.000 -2.217 0.000) 2.217 9.552 ( -0.000 -4.819 0.000) 4.819 ======================= Grid point 326 (133/135) ======================= q-point: (-0.44 0.44 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.354 ( -5.696 0.000 -0.000) 5.696 1.450 ( -8.156 0.000 -0.000) 8.156 1.988 ( 18.810 -0.000 0.000) 18.810 2.050 ( -4.087 0.000 -0.000) 4.087 2.490 ( 1.985 -0.000 0.000) 1.985 2.774 ( 7.050 -0.000 0.000) 7.050 3.008 ( -1.748 0.000 -0.000) 1.748 3.302 ( -1.549 0.000 -0.000) 1.549 3.486 ( 4.161 -0.000 0.000) 4.161 3.488 ( 25.071 -0.000 0.000) 25.071 3.704 ( -2.813 0.000 -0.000) 2.813 4.263 ( -2.732 0.000 -0.000) 2.732 4.375 ( 2.424 -0.000 0.000) 2.424 4.550 ( -2.606 0.000 -0.000) 2.606 4.793 ( -15.703 0.000 -0.000) 15.703 5.006 ( 5.481 -0.000 0.000) 5.481 5.349 ( -6.907 0.000 -0.000) 6.907 5.488 ( -8.820 0.000 -0.000) 8.820 5.579 ( 0.330 -0.000 0.000) 0.330 5.939 ( -5.837 0.000 -0.000) 5.837 5.970 ( -0.364 0.000 -0.000) 0.364 6.591 ( 1.983 -0.000 0.000) 1.983 6.602 ( 0.700 -0.000 0.000) 0.700 6.661 ( -1.738 0.000 -0.000) 1.738 7.167 ( -1.756 0.000 -0.000) 1.756 7.833 ( 1.213 -0.000 0.000) 1.213 8.869 ( -5.672 0.000 -0.000) 5.672 9.046 ( 17.763 -0.000 0.000) 17.763 9.519 ( -1.507 0.000 -0.000) 1.507 9.662 ( -10.312 0.000 -0.000) 10.312 ======================= Grid point 332 (134/135) ======================= q-point: ( 0.56 -0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.391 ( 0.000 0.000 9.872) 9.872 1.419 ( 0.000 0.000 5.027) 5.027 2.001 ( -0.000 -0.000 -1.187) 1.187 2.326 ( 0.000 0.000 10.840) 10.840 2.453 ( -0.000 -0.000 -1.618) 1.618 2.786 ( -0.000 -0.000 -5.961) 5.961 3.037 ( 0.000 0.000 5.119) 5.119 3.293 ( -0.000 -0.000 -0.666) 0.666 3.483 ( -0.000 -0.000 -3.927) 3.927 3.686 ( 0.000 0.000 1.872) 1.872 3.937 ( 0.000 0.000 3.978) 3.978 4.084 ( -0.000 -0.000 -9.433) 9.433 4.396 ( 0.000 0.000 0.703) 0.703 4.420 ( 0.000 0.000 5.873) 5.873 4.661 ( -0.000 -0.000 -5.267) 5.267 5.096 ( -0.000 -0.000 -0.989) 0.989 5.245 ( 0.000 0.000 0.689) 0.689 5.328 ( -0.000 -0.000 -6.903) 6.903 5.591 ( 0.000 0.000 1.369) 1.369 5.880 ( 0.000 0.000 0.364) 0.364 5.910 ( -0.000 -0.000 -5.597) 5.597 6.324 ( -0.000 -0.000 -13.613) 13.613 6.694 ( 0.000 0.000 7.803) 7.803 7.008 ( 0.000 0.000 21.340) 21.340 7.159 ( 0.000 0.000 0.832) 0.832 7.887 ( 0.000 0.000 4.286) 4.286 8.789 ( -0.000 -0.000 -2.077) 2.077 9.322 ( -0.000 -0.000 -1.709) 1.709 9.451 ( 0.000 0.000 0.468) 0.468 9.471 ( -0.000 -0.000 -3.224) 3.224 ======================= Grid point 377 (135/135) ======================= q-point: (-0.50 0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.295 ( 0.000 0.000 -0.000) 0.000 1.369 ( 0.000 0.000 -0.000) 0.000 2.009 ( 0.000 0.000 -0.000) 0.000 2.218 ( 0.000 0.000 -0.000) 0.000 2.473 ( 0.000 0.000 -0.000) 0.000 2.851 ( 0.000 0.000 -0.000) 0.000 2.985 ( 0.000 0.000 -0.000) 0.000 3.287 ( 0.000 0.000 -0.000) 0.000 3.530 ( 0.000 0.000 -0.000) 0.000 3.675 ( 0.000 0.000 -0.000) 0.000 3.887 ( 0.000 0.000 -0.000) 0.000 4.233 ( 0.000 0.000 -0.000) 0.000 4.299 ( 0.000 0.000 -0.000) 0.000 4.388 ( 0.000 0.000 -0.000) 0.000 4.716 ( 0.000 0.000 -0.000) 0.000 5.105 ( 0.000 0.000 -0.000) 0.000 5.238 ( 0.000 0.000 -0.000) 0.000 5.394 ( 0.000 0.000 -0.000) 0.000 5.585 ( -0.000 -0.000 0.000) 0.000 5.878 ( 0.000 0.000 -0.000) 0.000 5.972 ( 0.000 0.000 -0.000) 0.000 6.611 ( 0.000 0.000 -0.000) 0.000 6.612 ( 0.000 0.000 -0.000) 0.000 6.642 ( 0.000 0.000 -0.000) 0.000 7.149 ( 0.000 0.000 -0.000) 0.000 7.845 ( 0.000 0.000 -0.000) 0.000 8.809 ( 0.000 0.000 -0.000) 0.000 9.338 ( 0.000 0.000 -0.000) 0.000 9.446 ( 0.000 0.000 -0.000) 0.000 9.503 ( 0.000 0.000 -0.000) 0.000 =================== 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 3/21600 10.0 345.033 490.117 289.512 -0.000 0.000 0.000 3/21600 20.0 72.251 65.305 45.059 -0.000 0.000 0.000 3/21600 30.0 30.662 23.656 18.054 -0.000 0.000 0.000 3/21600 40.0 18.166 12.780 10.665 -0.000 0.000 0.000 3/21600 50.0 12.586 8.350 7.466 -0.000 0.000 0.000 3/21600 60.0 9.551 6.095 5.739 -0.000 0.000 0.000 3/21600 70.0 7.683 4.774 4.680 -0.000 0.000 0.000 3/21600 80.0 6.430 3.921 3.970 -0.000 0.000 0.000 3/21600 90.0 5.534 3.331 3.461 -0.000 0.000 0.000 3/21600 100.0 4.864 2.899 3.079 -0.000 0.000 0.000 3/21600 110.0 4.342 2.570 2.779 -0.000 0.000 0.000 3/21600 120.0 3.925 2.310 2.537 -0.000 0.000 0.000 3/21600 130.0 3.584 2.101 2.337 -0.000 0.000 0.000 3/21600 140.0 3.299 1.927 2.168 -0.000 0.000 0.000 3/21600 150.0 3.057 1.782 2.023 -0.000 0.000 0.000 3/21600 160.0 2.850 1.657 1.897 -0.000 0.000 0.000 3/21600 170.0 2.669 1.550 1.786 -0.000 0.000 0.000 3/21600 180.0 2.511 1.456 1.688 -0.000 0.000 0.000 3/21600 190.0 2.371 1.373 1.600 -0.000 0.000 0.000 3/21600 200.0 2.246 1.299 1.522 -0.000 0.000 0.000 3/21600 210.0 2.133 1.233 1.450 -0.000 0.000 0.000 3/21600 220.0 2.032 1.174 1.385 -0.000 0.000 0.000 3/21600 230.0 1.940 1.120 1.326 -0.000 0.000 0.000 3/21600 240.0 1.856 1.071 1.272 -0.000 0.000 0.000 3/21600 250.0 1.780 1.027 1.222 -0.000 0.000 0.000 3/21600 260.0 1.709 0.985 1.176 -0.000 0.000 0.000 3/21600 270.0 1.644 0.948 1.133 -0.000 0.000 0.000 3/21600 280.0 1.584 0.913 1.093 -0.000 0.000 0.000 3/21600 290.0 1.528 0.880 1.056 -0.000 0.000 0.000 3/21600 300.0 1.476 0.850 1.021 -0.000 0.000 0.000 3/21600 310.0 1.427 0.822 0.989 -0.000 0.000 0.000 3/21600 320.0 1.381 0.795 0.959 -0.000 0.000 0.000 3/21600 330.0 1.339 0.771 0.930 -0.000 0.000 0.000 3/21600 340.0 1.299 0.747 0.903 -0.000 0.000 0.000 3/21600 350.0 1.261 0.726 0.877 -0.000 0.000 0.000 3/21600 360.0 1.225 0.705 0.853 -0.000 0.000 0.000 3/21600 370.0 1.192 0.686 0.831 -0.000 0.000 0.000 3/21600 380.0 1.160 0.667 0.809 -0.000 0.000 0.000 3/21600 390.0 1.130 0.650 0.789 -0.000 0.000 0.000 3/21600 400.0 1.101 0.633 0.769 -0.000 0.000 0.000 3/21600 410.0 1.074 0.618 0.751 -0.000 0.000 0.000 3/21600 420.0 1.048 0.603 0.733 -0.000 0.000 0.000 3/21600 430.0 1.024 0.589 0.716 -0.000 0.000 0.000 3/21600 440.0 1.000 0.575 0.700 -0.000 0.000 0.000 3/21600 450.0 0.978 0.562 0.685 -0.000 0.000 0.000 3/21600 460.0 0.956 0.550 0.670 -0.000 0.000 0.000 3/21600 470.0 0.936 0.538 0.656 -0.000 0.000 0.000 3/21600 480.0 0.916 0.527 0.642 -0.000 0.000 0.000 3/21600 490.0 0.897 0.516 0.629 -0.000 0.000 0.000 3/21600 500.0 0.879 0.505 0.617 -0.000 0.000 0.000 3/21600 510.0 0.862 0.495 0.605 -0.000 0.000 0.000 3/21600 520.0 0.845 0.486 0.593 -0.000 0.000 0.000 3/21600 530.0 0.829 0.476 0.582 -0.000 0.000 0.000 3/21600 540.0 0.814 0.468 0.571 -0.000 0.000 0.000 3/21600 550.0 0.799 0.459 0.561 -0.000 0.000 0.000 3/21600 560.0 0.784 0.451 0.551 -0.000 0.000 0.000 3/21600 570.0 0.771 0.443 0.541 -0.000 0.000 0.000 3/21600 580.0 0.757 0.435 0.532 -0.000 0.000 0.000 3/21600 590.0 0.744 0.428 0.523 -0.000 0.000 0.000 3/21600 600.0 0.732 0.421 0.515 -0.000 0.000 0.000 3/21600 610.0 0.720 0.414 0.506 -0.000 0.000 0.000 3/21600 620.0 0.708 0.407 0.498 -0.000 0.000 0.000 3/21600 630.0 0.697 0.400 0.490 -0.000 0.000 0.000 3/21600 640.0 0.686 0.394 0.483 -0.000 0.000 0.000 3/21600 650.0 0.675 0.388 0.475 -0.000 0.000 0.000 3/21600 660.0 0.665 0.382 0.468 -0.000 0.000 0.000 3/21600 670.0 0.655 0.376 0.461 -0.000 0.000 0.000 3/21600 680.0 0.645 0.371 0.454 -0.000 0.000 0.000 3/21600 690.0 0.636 0.365 0.448 -0.000 0.000 0.000 3/21600 700.0 0.627 0.360 0.442 -0.000 0.000 0.000 3/21600 710.0 0.618 0.355 0.435 -0.000 0.000 0.000 3/21600 720.0 0.610 0.350 0.429 -0.000 0.000 0.000 3/21600 730.0 0.601 0.345 0.423 -0.000 0.000 0.000 3/21600 740.0 0.593 0.341 0.418 -0.000 0.000 0.000 3/21600 750.0 0.585 0.336 0.412 -0.000 0.000 0.000 3/21600 760.0 0.577 0.332 0.407 -0.000 0.000 0.000 3/21600 770.0 0.570 0.327 0.402 -0.000 0.000 0.000 3/21600 780.0 0.563 0.323 0.396 -0.000 0.000 0.000 3/21600 790.0 0.555 0.319 0.391 -0.000 0.000 0.000 3/21600 800.0 0.548 0.315 0.387 -0.000 0.000 0.000 3/21600 810.0 0.542 0.311 0.382 -0.000 0.000 0.000 3/21600 820.0 0.535 0.307 0.377 -0.000 0.000 0.000 3/21600 830.0 0.529 0.304 0.373 -0.000 0.000 0.000 3/21600 840.0 0.522 0.300 0.368 -0.000 0.000 0.000 3/21600 850.0 0.516 0.296 0.364 -0.000 0.000 0.000 3/21600 860.0 0.510 0.293 0.360 -0.000 0.000 0.000 3/21600 870.0 0.504 0.290 0.356 -0.000 0.000 0.000 3/21600 880.0 0.498 0.286 0.352 -0.000 0.000 0.000 3/21600 890.0 0.493 0.283 0.348 -0.000 0.000 0.000 3/21600 900.0 0.487 0.280 0.344 -0.000 0.000 0.000 3/21600 910.0 0.482 0.277 0.340 -0.000 0.000 0.000 3/21600 920.0 0.477 0.274 0.336 -0.000 0.000 0.000 3/21600 930.0 0.472 0.271 0.333 -0.000 0.000 0.000 3/21600 940.0 0.467 0.268 0.329 -0.000 0.000 0.000 3/21600 950.0 0.462 0.265 0.326 -0.000 0.000 0.000 3/21600 960.0 0.457 0.262 0.322 -0.000 0.000 0.000 3/21600 970.0 0.452 0.260 0.319 -0.000 0.000 0.000 3/21600 980.0 0.448 0.257 0.316 -0.000 0.000 0.000 3/21600 990.0 0.443 0.254 0.313 -0.000 0.000 0.000 3/21600 1000.0 0.439 0.252 0.310 -0.000 0.000 0.000 3/21600 Thermal conductivity related properties were written into "kappa-m11720.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:51:13]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|