----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 22:29:04]------------------------- 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 2 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) Number of symmetry operations in supercell: 128 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.302690624999999 -3.424568444999999 0.000000000000000 b 4.302690624999999 3.424568444999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.189122799999999 Atomic positions (fractional): *1 Na 0.96958833596395 0.68289316974761 0.25000000000000 22.990 2 Na 0.03041166403605 0.31710683025239 0.75000000000000 22.990 3 Na 0.31710683025239 0.03041166403605 0.25000000000000 22.990 4 Na 0.68289316974761 0.96958833596395 0.75000000000000 22.990 *5 P 0.23801888762500 0.76198111237500 0.75000000000000 30.974 6 P 0.76198111237500 0.23801888762500 0.25000000000000 30.974 *7 Cu 0.50000000000000 0.50000000000000 0.50000000000000 63.546 8 Cu 0.50000000000000 0.50000000000000 0.00000000000000 63.546 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.605381249999999 0.000000000000000 0.000000000000000 b 0.000000000000000 6.849136889999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.189122799999999 Atomic positions (fractional): *1 Na 0.82624075285578 0.85665241689183 0.25000000000000 22.990 > 1 2 Na 0.17375924714422 0.14334758310817 0.75000000000000 22.990 > 2 3 Na 0.17375924714422 0.85665241689183 0.25000000000000 22.990 > 3 4 Na 0.82624075285578 0.14334758310817 0.75000000000000 22.990 > 4 5 Na 0.32624075285578 0.35665241689183 0.25000000000000 22.990 > 1 6 Na 0.67375924714422 0.64334758310817 0.75000000000000 22.990 > 2 7 Na 0.67375924714422 0.35665241689183 0.25000000000000 22.990 > 3 8 Na 0.32624075285578 0.64334758310817 0.75000000000000 22.990 > 4 *9 P 0.50000000000000 0.26198111237500 0.75000000000000 30.974 > 5 10 P 0.50000000000000 0.73801888762500 0.25000000000000 30.974 > 6 11 P 0.00000000000000 0.76198111237500 0.75000000000000 30.974 > 5 12 P 0.00000000000000 0.23801888762500 0.25000000000000 30.974 > 6 *13 Cu 0.50000000000000 0.00000000000000 0.50000000000000 63.546 > 7 14 Cu 0.50000000000000 0.00000000000000 0.00000000000000 63.546 > 8 15 Cu 0.00000000000000 0.50000000000000 0.50000000000000 63.546 > 7 16 Cu 0.00000000000000 0.50000000000000 0.00000000000000 63.546 > 8 -------------------------------- super cell -------------------------------- Lattice vectors: a 17.210762499999998 0.000000000000000 0.000000000000000 b 0.000000000000000 13.698273779999997 0.000000000000000 c 0.000000000000000 0.000000000000000 10.378245599999998 Atomic positions (fractional): *1 Na 0.41312037642789 0.42832620844591 0.12500000000000 22.990 > 1 2 Na 0.91312037642789 0.42832620844591 0.12500000000000 22.990 > 1 3 Na 0.41312037642789 0.92832620844591 0.12500000000000 22.990 > 1 4 Na 0.91312037642789 0.92832620844591 0.12500000000000 22.990 > 1 5 Na 0.41312037642789 0.42832620844591 0.62500000000000 22.990 > 1 6 Na 0.91312037642789 0.42832620844591 0.62500000000000 22.990 > 1 7 Na 0.41312037642789 0.92832620844591 0.62500000000000 22.990 > 1 8 Na 0.91312037642789 0.92832620844591 0.62500000000000 22.990 > 1 9 Na 0.08687962357211 0.07167379155409 0.37500000000000 22.990 > 2 10 Na 0.58687962357211 0.07167379155409 0.37500000000000 22.990 > 2 11 Na 0.08687962357211 0.57167379155409 0.37500000000000 22.990 > 2 12 Na 0.58687962357211 0.57167379155409 0.37500000000000 22.990 > 2 13 Na 0.08687962357211 0.07167379155409 0.87500000000000 22.990 > 2 14 Na 0.58687962357211 0.07167379155409 0.87500000000000 22.990 > 2 15 Na 0.08687962357211 0.57167379155409 0.87500000000000 22.990 > 2 16 Na 0.58687962357211 0.57167379155409 0.87500000000000 22.990 > 2 17 Na 0.08687962357211 0.42832620844591 0.12500000000000 22.990 > 3 18 Na 0.58687962357211 0.42832620844591 0.12500000000000 22.990 > 3 19 Na 0.08687962357211 0.92832620844591 0.12500000000000 22.990 > 3 20 Na 0.58687962357211 0.92832620844591 0.12500000000000 22.990 > 3 21 Na 0.08687962357211 0.42832620844591 0.62500000000000 22.990 > 3 22 Na 0.58687962357211 0.42832620844591 0.62500000000000 22.990 > 3 23 Na 0.08687962357211 0.92832620844591 0.62500000000000 22.990 > 3 24 Na 0.58687962357211 0.92832620844591 0.62500000000000 22.990 > 3 25 Na 0.41312037642789 0.07167379155409 0.37500000000000 22.990 > 4 26 Na 0.91312037642789 0.07167379155409 0.37500000000000 22.990 > 4 27 Na 0.41312037642789 0.57167379155409 0.37500000000000 22.990 > 4 28 Na 0.91312037642789 0.57167379155409 0.37500000000000 22.990 > 4 29 Na 0.41312037642789 0.07167379155409 0.87500000000000 22.990 > 4 30 Na 0.91312037642789 0.07167379155409 0.87500000000000 22.990 > 4 31 Na 0.41312037642789 0.57167379155409 0.87500000000000 22.990 > 4 32 Na 0.91312037642789 0.57167379155409 0.87500000000000 22.990 > 4 33 Na 0.16312037642789 0.17832620844591 0.12500000000000 22.990 > 1 34 Na 0.66312037642789 0.17832620844591 0.12500000000000 22.990 > 1 35 Na 0.16312037642789 0.67832620844591 0.12500000000000 22.990 > 1 36 Na 0.66312037642789 0.67832620844591 0.12500000000000 22.990 > 1 37 Na 0.16312037642789 0.17832620844591 0.62500000000000 22.990 > 1 38 Na 0.66312037642789 0.17832620844591 0.62500000000000 22.990 > 1 39 Na 0.16312037642789 0.67832620844591 0.62500000000000 22.990 > 1 40 Na 0.66312037642789 0.67832620844591 0.62500000000000 22.990 > 1 41 Na 0.33687962357211 0.32167379155409 0.37500000000000 22.990 > 2 42 Na 0.83687962357211 0.32167379155409 0.37500000000000 22.990 > 2 43 Na 0.33687962357211 0.82167379155409 0.37500000000000 22.990 > 2 44 Na 0.83687962357211 0.82167379155409 0.37500000000000 22.990 > 2 45 Na 0.33687962357211 0.32167379155409 0.87500000000000 22.990 > 2 46 Na 0.83687962357211 0.32167379155409 0.87500000000000 22.990 > 2 47 Na 0.33687962357211 0.82167379155409 0.87500000000000 22.990 > 2 48 Na 0.83687962357211 0.82167379155409 0.87500000000000 22.990 > 2 49 Na 0.33687962357211 0.17832620844591 0.12500000000000 22.990 > 3 50 Na 0.83687962357211 0.17832620844591 0.12500000000000 22.990 > 3 51 Na 0.33687962357211 0.67832620844591 0.12500000000000 22.990 > 3 52 Na 0.83687962357211 0.67832620844591 0.12500000000000 22.990 > 3 53 Na 0.33687962357211 0.17832620844591 0.62500000000000 22.990 > 3 54 Na 0.83687962357211 0.17832620844591 0.62500000000000 22.990 > 3 55 Na 0.33687962357211 0.67832620844591 0.62500000000000 22.990 > 3 56 Na 0.83687962357211 0.67832620844591 0.62500000000000 22.990 > 3 57 Na 0.16312037642789 0.32167379155409 0.37500000000000 22.990 > 4 58 Na 0.66312037642789 0.32167379155409 0.37500000000000 22.990 > 4 59 Na 0.16312037642789 0.82167379155409 0.37500000000000 22.990 > 4 60 Na 0.66312037642789 0.82167379155409 0.37500000000000 22.990 > 4 61 Na 0.16312037642789 0.32167379155409 0.87500000000000 22.990 > 4 62 Na 0.66312037642789 0.32167379155409 0.87500000000000 22.990 > 4 63 Na 0.16312037642789 0.82167379155409 0.87500000000000 22.990 > 4 64 Na 0.66312037642789 0.82167379155409 0.87500000000000 22.990 > 4 *65 P 0.25000000000000 0.13099055618750 0.37500000000000 30.974 > 5 66 P 0.75000000000000 0.13099055618750 0.37500000000000 30.974 > 5 67 P 0.25000000000000 0.63099055618750 0.37500000000000 30.974 > 5 68 P 0.75000000000000 0.63099055618750 0.37500000000000 30.974 > 5 69 P 0.25000000000000 0.13099055618750 0.87500000000000 30.974 > 5 70 P 0.75000000000000 0.13099055618750 0.87500000000000 30.974 > 5 71 P 0.25000000000000 0.63099055618750 0.87500000000000 30.974 > 5 72 P 0.75000000000000 0.63099055618750 0.87500000000000 30.974 > 5 73 P 0.25000000000000 0.36900944381250 0.12500000000000 30.974 > 6 74 P 0.75000000000000 0.36900944381250 0.12500000000000 30.974 > 6 75 P 0.25000000000000 0.86900944381250 0.12500000000000 30.974 > 6 76 P 0.75000000000000 0.86900944381250 0.12500000000000 30.974 > 6 77 P 0.25000000000000 0.36900944381250 0.62500000000000 30.974 > 6 78 P 0.75000000000000 0.36900944381250 0.62500000000000 30.974 > 6 79 P 0.25000000000000 0.86900944381250 0.62500000000000 30.974 > 6 80 P 0.75000000000000 0.86900944381250 0.62500000000000 30.974 > 6 81 P 0.00000000000000 0.38099055618750 0.37500000000000 30.974 > 5 82 P 0.50000000000000 0.38099055618750 0.37500000000000 30.974 > 5 83 P 0.00000000000000 0.88099055618750 0.37500000000000 30.974 > 5 84 P 0.50000000000000 0.88099055618750 0.37500000000000 30.974 > 5 85 P 0.00000000000000 0.38099055618750 0.87500000000000 30.974 > 5 86 P 0.50000000000000 0.38099055618750 0.87500000000000 30.974 > 5 87 P 0.00000000000000 0.88099055618750 0.87500000000000 30.974 > 5 88 P 0.50000000000000 0.88099055618750 0.87500000000000 30.974 > 5 89 P 0.00000000000000 0.11900944381250 0.12500000000000 30.974 > 6 90 P 0.50000000000000 0.11900944381250 0.12500000000000 30.974 > 6 91 P 0.00000000000000 0.61900944381250 0.12500000000000 30.974 > 6 92 P 0.50000000000000 0.61900944381250 0.12500000000000 30.974 > 6 93 P 0.00000000000000 0.11900944381250 0.62500000000000 30.974 > 6 94 P 0.50000000000000 0.11900944381250 0.62500000000000 30.974 > 6 95 P 0.00000000000000 0.61900944381250 0.62500000000000 30.974 > 6 96 P 0.50000000000000 0.61900944381250 0.62500000000000 30.974 > 6 *97 Cu 0.25000000000000 0.00000000000000 0.25000000000000 63.546 > 7 98 Cu 0.75000000000000 0.00000000000000 0.25000000000000 63.546 > 7 99 Cu 0.25000000000000 0.50000000000000 0.25000000000000 63.546 > 7 100 Cu 0.75000000000000 0.50000000000000 0.25000000000000 63.546 > 7 101 Cu 0.25000000000000 0.00000000000000 0.75000000000000 63.546 > 7 102 Cu 0.75000000000000 0.00000000000000 0.75000000000000 63.546 > 7 103 Cu 0.25000000000000 0.50000000000000 0.75000000000000 63.546 > 7 104 Cu 0.75000000000000 0.50000000000000 0.75000000000000 63.546 > 7 105 Cu 0.25000000000000 0.00000000000000 0.00000000000000 63.546 > 8 106 Cu 0.75000000000000 0.00000000000000 0.00000000000000 63.546 > 8 107 Cu 0.25000000000000 0.50000000000000 0.00000000000000 63.546 > 8 108 Cu 0.75000000000000 0.50000000000000 0.00000000000000 63.546 > 8 109 Cu 0.25000000000000 0.00000000000000 0.50000000000000 63.546 > 8 110 Cu 0.75000000000000 0.00000000000000 0.50000000000000 63.546 > 8 111 Cu 0.25000000000000 0.50000000000000 0.50000000000000 63.546 > 8 112 Cu 0.75000000000000 0.50000000000000 0.50000000000000 63.546 > 8 113 Cu 0.00000000000000 0.25000000000000 0.25000000000000 63.546 > 7 114 Cu 0.50000000000000 0.25000000000000 0.25000000000000 63.546 > 7 115 Cu 0.00000000000000 0.75000000000000 0.25000000000000 63.546 > 7 116 Cu 0.50000000000000 0.75000000000000 0.25000000000000 63.546 > 7 117 Cu 0.00000000000000 0.25000000000000 0.75000000000000 63.546 > 7 118 Cu 0.50000000000000 0.25000000000000 0.75000000000000 63.546 > 7 119 Cu 0.00000000000000 0.75000000000000 0.75000000000000 63.546 > 7 120 Cu 0.50000000000000 0.75000000000000 0.75000000000000 63.546 > 7 121 Cu 0.00000000000000 0.25000000000000 0.00000000000000 63.546 > 8 122 Cu 0.50000000000000 0.25000000000000 0.00000000000000 63.546 > 8 123 Cu 0.00000000000000 0.75000000000000 0.00000000000000 63.546 > 8 124 Cu 0.50000000000000 0.75000000000000 0.00000000000000 63.546 > 8 125 Cu 0.00000000000000 0.25000000000000 0.50000000000000 63.546 > 8 126 Cu 0.50000000000000 0.25000000000000 0.50000000000000 63.546 > 8 127 Cu 0.00000000000000 0.75000000000000 0.50000000000000 63.546 > 8 128 Cu 0.50000000000000 0.75000000000000 0.50000000000000 63.546 > 8 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.7074911 0.0000000 0.0000000 0.0000000 9.3973282 0.0000000 0.0000000 0.0000000 24.6130794 -------------------------- Born effective charges -------------------------- 1 Na 1.1686729 -0.0532485 0.0000000 -0.2068445 1.1515927 0.0000000 0.0000000 0.0000000 1.1759422 2 Na 1.1686729 -0.0532485 0.0000000 -0.2068445 1.1515927 0.0000000 0.0000000 0.0000000 1.1759422 3 Na 1.1686729 0.0532485 0.0000000 0.2068445 1.1515927 0.0000000 0.0000000 0.0000000 1.1759422 4 Na 1.1686729 0.0532485 0.0000000 0.2068445 1.1515927 0.0000000 0.0000000 0.0000000 1.1759422 5 P -1.6931764 0.0000000 0.0000000 0.0000000 -2.7794729 0.0000000 0.0000000 0.0000000 -3.6124845 6 P -1.6931764 0.0000000 0.0000000 0.0000000 -2.7794729 0.0000000 0.0000000 0.0000000 -3.6124845 7 Cu -0.6441694 0.0000000 0.0000000 0.0000000 0.4762875 0.6117308 0.0000000 2.1077561 1.2606000 8 Cu -0.6441694 0.0000000 0.0000000 0.0000000 0.4762875 -0.6117308 0.0000000 -2.1077561 1.2606000 ---------------------------------------------------------------------------- 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: 384/384 Permutation basis: 5712/5712 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 697 Number of blocks in projector: 697 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: 146 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 121 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 121 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 121 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 110 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 78 Use standard eigh solver. Tree of FC basis block matrices: - (697, 684), data: False |-- (78, 78), data: True |-- (110, 108), data: True |-- (121, 118), data: True |-- (121, 118), data: True |-- (121, 118), data: True |-- (146, 144), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 160 - Time: 0.780 Solver_block: 160 / 160 - Time: 0.533 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.359 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zy) 0.00000000 (zy) Permutation basis: 384/384 Permutation basis: 5712/5712 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 697 Number of blocks in projector: 697 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: 146 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 121 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 121 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 121 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 110 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 78 Use standard eigh solver. Tree of FC basis block matrices: - (697, 684), data: False |-- (78, 78), data: True |-- (110, 108), data: True |-- (121, 118), data: True |-- (121, 118), data: True |-- (121, 118), data: True |-- (146, 144), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zy) 0.00000000 (zy) 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 22:29:14]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:29:15]------------------------- 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 2 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.302690624999999 -3.424568444999999 0.000000000000000 b 4.302690624999999 3.424568444999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.189122799999999 Atomic positions (fractional): 1 Na 0.96958833596395 0.68289316974761 0.25000000000000 22.990 2 Na 0.03041166403605 0.31710683025239 0.75000000000000 22.990 3 Na 0.31710683025239 0.03041166403605 0.25000000000000 22.990 4 Na 0.68289316974761 0.96958833596395 0.75000000000000 22.990 5 P 0.23801888762500 0.76198111237500 0.75000000000000 30.974 6 P 0.76198111237500 0.23801888762500 0.25000000000000 30.974 7 Cu 0.50000000000000 0.50000000000000 0.50000000000000 63.546 8 Cu 0.50000000000000 0.50000000000000 0.00000000000000 63.546 -------------------------------- supercell --------------------------------- Lattice vectors: a 17.210762499999998 0.000000000000000 0.000000000000000 b 0.000000000000000 13.698273779999997 0.000000000000000 c 0.000000000000000 0.000000000000000 10.378245599999998 Atomic positions (fractional): 1 Na 0.41312037642789 0.42832620844591 0.12500000000000 22.990 > 1 2 Na 0.91312037642789 0.42832620844591 0.12500000000000 22.990 > 1 3 Na 0.41312037642789 0.92832620844591 0.12500000000000 22.990 > 1 4 Na 0.91312037642789 0.92832620844591 0.12500000000000 22.990 > 1 5 Na 0.41312037642789 0.42832620844591 0.62500000000000 22.990 > 1 6 Na 0.91312037642789 0.42832620844591 0.62500000000000 22.990 > 1 7 Na 0.41312037642789 0.92832620844591 0.62500000000000 22.990 > 1 8 Na 0.91312037642789 0.92832620844591 0.62500000000000 22.990 > 1 9 Na 0.08687962357211 0.07167379155409 0.37500000000000 22.990 > 9 10 Na 0.58687962357211 0.07167379155409 0.37500000000000 22.990 > 9 11 Na 0.08687962357211 0.57167379155409 0.37500000000000 22.990 > 9 12 Na 0.58687962357211 0.57167379155409 0.37500000000000 22.990 > 9 13 Na 0.08687962357211 0.07167379155409 0.87500000000000 22.990 > 9 14 Na 0.58687962357211 0.07167379155409 0.87500000000000 22.990 > 9 15 Na 0.08687962357211 0.57167379155409 0.87500000000000 22.990 > 9 16 Na 0.58687962357211 0.57167379155409 0.87500000000000 22.990 > 9 17 Na 0.08687962357211 0.42832620844591 0.12500000000000 22.990 > 17 18 Na 0.58687962357211 0.42832620844591 0.12500000000000 22.990 > 17 19 Na 0.08687962357211 0.92832620844591 0.12500000000000 22.990 > 17 20 Na 0.58687962357211 0.92832620844591 0.12500000000000 22.990 > 17 21 Na 0.08687962357211 0.42832620844591 0.62500000000000 22.990 > 17 22 Na 0.58687962357211 0.42832620844591 0.62500000000000 22.990 > 17 23 Na 0.08687962357211 0.92832620844591 0.62500000000000 22.990 > 17 24 Na 0.58687962357211 0.92832620844591 0.62500000000000 22.990 > 17 25 Na 0.41312037642789 0.07167379155409 0.37500000000000 22.990 > 25 26 Na 0.91312037642789 0.07167379155409 0.37500000000000 22.990 > 25 27 Na 0.41312037642789 0.57167379155409 0.37500000000000 22.990 > 25 28 Na 0.91312037642789 0.57167379155409 0.37500000000000 22.990 > 25 29 Na 0.41312037642789 0.07167379155409 0.87500000000000 22.990 > 25 30 Na 0.91312037642789 0.07167379155409 0.87500000000000 22.990 > 25 31 Na 0.41312037642789 0.57167379155409 0.87500000000000 22.990 > 25 32 Na 0.91312037642789 0.57167379155409 0.87500000000000 22.990 > 25 33 Na 0.16312037642789 0.17832620844591 0.12500000000000 22.990 > 1 34 Na 0.66312037642789 0.17832620844591 0.12500000000000 22.990 > 1 35 Na 0.16312037642789 0.67832620844591 0.12500000000000 22.990 > 1 36 Na 0.66312037642789 0.67832620844591 0.12500000000000 22.990 > 1 37 Na 0.16312037642789 0.17832620844591 0.62500000000000 22.990 > 1 38 Na 0.66312037642789 0.17832620844591 0.62500000000000 22.990 > 1 39 Na 0.16312037642789 0.67832620844591 0.62500000000000 22.990 > 1 40 Na 0.66312037642789 0.67832620844591 0.62500000000000 22.990 > 1 41 Na 0.33687962357211 0.32167379155409 0.37500000000000 22.990 > 9 42 Na 0.83687962357211 0.32167379155409 0.37500000000000 22.990 > 9 43 Na 0.33687962357211 0.82167379155409 0.37500000000000 22.990 > 9 44 Na 0.83687962357211 0.82167379155409 0.37500000000000 22.990 > 9 45 Na 0.33687962357211 0.32167379155409 0.87500000000000 22.990 > 9 46 Na 0.83687962357211 0.32167379155409 0.87500000000000 22.990 > 9 47 Na 0.33687962357211 0.82167379155409 0.87500000000000 22.990 > 9 48 Na 0.83687962357211 0.82167379155409 0.87500000000000 22.990 > 9 49 Na 0.33687962357211 0.17832620844591 0.12500000000000 22.990 > 17 50 Na 0.83687962357211 0.17832620844591 0.12500000000000 22.990 > 17 51 Na 0.33687962357211 0.67832620844591 0.12500000000000 22.990 > 17 52 Na 0.83687962357211 0.67832620844591 0.12500000000000 22.990 > 17 53 Na 0.33687962357211 0.17832620844591 0.62500000000000 22.990 > 17 54 Na 0.83687962357211 0.17832620844591 0.62500000000000 22.990 > 17 55 Na 0.33687962357211 0.67832620844591 0.62500000000000 22.990 > 17 56 Na 0.83687962357211 0.67832620844591 0.62500000000000 22.990 > 17 57 Na 0.16312037642789 0.32167379155409 0.37500000000000 22.990 > 25 58 Na 0.66312037642789 0.32167379155409 0.37500000000000 22.990 > 25 59 Na 0.16312037642789 0.82167379155409 0.37500000000000 22.990 > 25 60 Na 0.66312037642789 0.82167379155409 0.37500000000000 22.990 > 25 61 Na 0.16312037642789 0.32167379155409 0.87500000000000 22.990 > 25 62 Na 0.66312037642789 0.32167379155409 0.87500000000000 22.990 > 25 63 Na 0.16312037642789 0.82167379155409 0.87500000000000 22.990 > 25 64 Na 0.66312037642789 0.82167379155409 0.87500000000000 22.990 > 25 65 P 0.25000000000000 0.13099055618750 0.37500000000000 30.974 > 65 66 P 0.75000000000000 0.13099055618750 0.37500000000000 30.974 > 65 67 P 0.25000000000000 0.63099055618750 0.37500000000000 30.974 > 65 68 P 0.75000000000000 0.63099055618750 0.37500000000000 30.974 > 65 69 P 0.25000000000000 0.13099055618750 0.87500000000000 30.974 > 65 70 P 0.75000000000000 0.13099055618750 0.87500000000000 30.974 > 65 71 P 0.25000000000000 0.63099055618750 0.87500000000000 30.974 > 65 72 P 0.75000000000000 0.63099055618750 0.87500000000000 30.974 > 65 73 P 0.25000000000000 0.36900944381250 0.12500000000000 30.974 > 73 74 P 0.75000000000000 0.36900944381250 0.12500000000000 30.974 > 73 75 P 0.25000000000000 0.86900944381250 0.12500000000000 30.974 > 73 76 P 0.75000000000000 0.86900944381250 0.12500000000000 30.974 > 73 77 P 0.25000000000000 0.36900944381250 0.62500000000000 30.974 > 73 78 P 0.75000000000000 0.36900944381250 0.62500000000000 30.974 > 73 79 P 0.25000000000000 0.86900944381250 0.62500000000000 30.974 > 73 80 P 0.75000000000000 0.86900944381250 0.62500000000000 30.974 > 73 81 P 0.00000000000000 0.38099055618750 0.37500000000000 30.974 > 65 82 P 0.50000000000000 0.38099055618750 0.37500000000000 30.974 > 65 83 P 0.00000000000000 0.88099055618750 0.37500000000000 30.974 > 65 84 P 0.50000000000000 0.88099055618750 0.37500000000000 30.974 > 65 85 P 0.00000000000000 0.38099055618750 0.87500000000000 30.974 > 65 86 P 0.50000000000000 0.38099055618750 0.87500000000000 30.974 > 65 87 P 0.00000000000000 0.88099055618750 0.87500000000000 30.974 > 65 88 P 0.50000000000000 0.88099055618750 0.87500000000000 30.974 > 65 89 P 0.00000000000000 0.11900944381250 0.12500000000000 30.974 > 73 90 P 0.50000000000000 0.11900944381250 0.12500000000000 30.974 > 73 91 P 0.00000000000000 0.61900944381250 0.12500000000000 30.974 > 73 92 P 0.50000000000000 0.61900944381250 0.12500000000000 30.974 > 73 93 P 0.00000000000000 0.11900944381250 0.62500000000000 30.974 > 73 94 P 0.50000000000000 0.11900944381250 0.62500000000000 30.974 > 73 95 P 0.00000000000000 0.61900944381250 0.62500000000000 30.974 > 73 96 P 0.50000000000000 0.61900944381250 0.62500000000000 30.974 > 73 97 Cu 0.25000000000000 0.00000000000000 0.25000000000000 63.546 > 97 98 Cu 0.75000000000000 0.00000000000000 0.25000000000000 63.546 > 97 99 Cu 0.25000000000000 0.50000000000000 0.25000000000000 63.546 > 97 100 Cu 0.75000000000000 0.50000000000000 0.25000000000000 63.546 > 97 101 Cu 0.25000000000000 0.00000000000000 0.75000000000000 63.546 > 97 102 Cu 0.75000000000000 0.00000000000000 0.75000000000000 63.546 > 97 103 Cu 0.25000000000000 0.50000000000000 0.75000000000000 63.546 > 97 104 Cu 0.75000000000000 0.50000000000000 0.75000000000000 63.546 > 97 105 Cu 0.25000000000000 0.00000000000000 0.00000000000000 63.546 > 105 106 Cu 0.75000000000000 0.00000000000000 0.00000000000000 63.546 > 105 107 Cu 0.25000000000000 0.50000000000000 0.00000000000000 63.546 > 105 108 Cu 0.75000000000000 0.50000000000000 0.00000000000000 63.546 > 105 109 Cu 0.25000000000000 0.00000000000000 0.50000000000000 63.546 > 105 110 Cu 0.75000000000000 0.00000000000000 0.50000000000000 63.546 > 105 111 Cu 0.25000000000000 0.50000000000000 0.50000000000000 63.546 > 105 112 Cu 0.75000000000000 0.50000000000000 0.50000000000000 63.546 > 105 113 Cu 0.00000000000000 0.25000000000000 0.25000000000000 63.546 > 97 114 Cu 0.50000000000000 0.25000000000000 0.25000000000000 63.546 > 97 115 Cu 0.00000000000000 0.75000000000000 0.25000000000000 63.546 > 97 116 Cu 0.50000000000000 0.75000000000000 0.25000000000000 63.546 > 97 117 Cu 0.00000000000000 0.25000000000000 0.75000000000000 63.546 > 97 118 Cu 0.50000000000000 0.25000000000000 0.75000000000000 63.546 > 97 119 Cu 0.00000000000000 0.75000000000000 0.75000000000000 63.546 > 97 120 Cu 0.50000000000000 0.75000000000000 0.75000000000000 63.546 > 97 121 Cu 0.00000000000000 0.25000000000000 0.00000000000000 63.546 > 105 122 Cu 0.50000000000000 0.25000000000000 0.00000000000000 63.546 > 105 123 Cu 0.00000000000000 0.75000000000000 0.00000000000000 63.546 > 105 124 Cu 0.50000000000000 0.75000000000000 0.00000000000000 63.546 > 105 125 Cu 0.00000000000000 0.25000000000000 0.50000000000000 63.546 > 105 126 Cu 0.50000000000000 0.25000000000000 0.50000000000000 63.546 > 105 127 Cu 0.00000000000000 0.75000000000000 0.50000000000000 63.546 > 105 128 Cu 0.50000000000000 0.75000000000000 0.50000000000000 63.546 > 105 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.7074911 0.0000000 0.0000000 0.0000000 9.3973282 0.0000000 0.0000000 0.0000000 24.6130794 -------------------------- Born effective charges -------------------------- 1 Na 1.1686729 -0.0532485 0.0000000 -0.2068445 1.1515927 0.0000000 0.0000000 0.0000000 1.1759422 2 Na 1.1686729 -0.0532485 0.0000000 -0.2068445 1.1515927 0.0000000 0.0000000 0.0000000 1.1759422 3 Na 1.1686729 0.0532485 0.0000000 0.2068445 1.1515927 0.0000000 0.0000000 0.0000000 1.1759422 4 Na 1.1686729 0.0532485 0.0000000 0.2068445 1.1515927 0.0000000 0.0000000 0.0000000 1.1759422 5 P -1.6931764 0.0000000 0.0000000 0.0000000 -2.7794729 0.0000000 0.0000000 0.0000000 -3.6124845 6 P -1.6931764 0.0000000 0.0000000 0.0000000 -2.7794729 0.0000000 0.0000000 0.0000000 -3.6124845 7 Cu -0.6441694 0.0000000 0.0000000 0.0000000 0.4762875 0.6117308 0.0000000 2.1077561 1.2606000 8 Cu -0.6441694 0.0000000 0.0000000 0.0000000 0.4762875 -0.6117308 0.0000000 -2.1077561 1.2606000 ---------------------------------------------------------------------------- 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[ 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] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 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: 0.00000007 (yyy) 0.00000007 (yyy) 0.00000007 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000004 (yz) 0.00000004 (yz) 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 22:29:26]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:29:27]------------------------- 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 2 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.302690624999999 -3.424568444999999 0.000000000000000 b 4.302690624999999 3.424568444999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.189122799999999 Atomic positions (fractional): 1 Na 0.96958833596395 0.68289316974761 0.25000000000000 22.990 2 Na 0.03041166403605 0.31710683025239 0.75000000000000 22.990 3 Na 0.31710683025239 0.03041166403605 0.25000000000000 22.990 4 Na 0.68289316974761 0.96958833596395 0.75000000000000 22.990 5 P 0.23801888762500 0.76198111237500 0.75000000000000 30.974 6 P 0.76198111237500 0.23801888762500 0.25000000000000 30.974 7 Cu 0.50000000000000 0.50000000000000 0.50000000000000 63.546 8 Cu 0.50000000000000 0.50000000000000 0.00000000000000 63.546 -------------------------------- supercell --------------------------------- Lattice vectors: a 17.210762499999998 0.000000000000000 0.000000000000000 b 0.000000000000000 13.698273779999997 0.000000000000000 c 0.000000000000000 0.000000000000000 10.378245599999998 Atomic positions (fractional): 1 Na 0.41312037642789 0.42832620844591 0.12500000000000 22.990 > 1 2 Na 0.91312037642789 0.42832620844591 0.12500000000000 22.990 > 1 3 Na 0.41312037642789 0.92832620844591 0.12500000000000 22.990 > 1 4 Na 0.91312037642789 0.92832620844591 0.12500000000000 22.990 > 1 5 Na 0.41312037642789 0.42832620844591 0.62500000000000 22.990 > 1 6 Na 0.91312037642789 0.42832620844591 0.62500000000000 22.990 > 1 7 Na 0.41312037642789 0.92832620844591 0.62500000000000 22.990 > 1 8 Na 0.91312037642789 0.92832620844591 0.62500000000000 22.990 > 1 9 Na 0.08687962357211 0.07167379155409 0.37500000000000 22.990 > 9 10 Na 0.58687962357211 0.07167379155409 0.37500000000000 22.990 > 9 11 Na 0.08687962357211 0.57167379155409 0.37500000000000 22.990 > 9 12 Na 0.58687962357211 0.57167379155409 0.37500000000000 22.990 > 9 13 Na 0.08687962357211 0.07167379155409 0.87500000000000 22.990 > 9 14 Na 0.58687962357211 0.07167379155409 0.87500000000000 22.990 > 9 15 Na 0.08687962357211 0.57167379155409 0.87500000000000 22.990 > 9 16 Na 0.58687962357211 0.57167379155409 0.87500000000000 22.990 > 9 17 Na 0.08687962357211 0.42832620844591 0.12500000000000 22.990 > 17 18 Na 0.58687962357211 0.42832620844591 0.12500000000000 22.990 > 17 19 Na 0.08687962357211 0.92832620844591 0.12500000000000 22.990 > 17 20 Na 0.58687962357211 0.92832620844591 0.12500000000000 22.990 > 17 21 Na 0.08687962357211 0.42832620844591 0.62500000000000 22.990 > 17 22 Na 0.58687962357211 0.42832620844591 0.62500000000000 22.990 > 17 23 Na 0.08687962357211 0.92832620844591 0.62500000000000 22.990 > 17 24 Na 0.58687962357211 0.92832620844591 0.62500000000000 22.990 > 17 25 Na 0.41312037642789 0.07167379155409 0.37500000000000 22.990 > 25 26 Na 0.91312037642789 0.07167379155409 0.37500000000000 22.990 > 25 27 Na 0.41312037642789 0.57167379155409 0.37500000000000 22.990 > 25 28 Na 0.91312037642789 0.57167379155409 0.37500000000000 22.990 > 25 29 Na 0.41312037642789 0.07167379155409 0.87500000000000 22.990 > 25 30 Na 0.91312037642789 0.07167379155409 0.87500000000000 22.990 > 25 31 Na 0.41312037642789 0.57167379155409 0.87500000000000 22.990 > 25 32 Na 0.91312037642789 0.57167379155409 0.87500000000000 22.990 > 25 33 Na 0.16312037642789 0.17832620844591 0.12500000000000 22.990 > 1 34 Na 0.66312037642789 0.17832620844591 0.12500000000000 22.990 > 1 35 Na 0.16312037642789 0.67832620844591 0.12500000000000 22.990 > 1 36 Na 0.66312037642789 0.67832620844591 0.12500000000000 22.990 > 1 37 Na 0.16312037642789 0.17832620844591 0.62500000000000 22.990 > 1 38 Na 0.66312037642789 0.17832620844591 0.62500000000000 22.990 > 1 39 Na 0.16312037642789 0.67832620844591 0.62500000000000 22.990 > 1 40 Na 0.66312037642789 0.67832620844591 0.62500000000000 22.990 > 1 41 Na 0.33687962357211 0.32167379155409 0.37500000000000 22.990 > 9 42 Na 0.83687962357211 0.32167379155409 0.37500000000000 22.990 > 9 43 Na 0.33687962357211 0.82167379155409 0.37500000000000 22.990 > 9 44 Na 0.83687962357211 0.82167379155409 0.37500000000000 22.990 > 9 45 Na 0.33687962357211 0.32167379155409 0.87500000000000 22.990 > 9 46 Na 0.83687962357211 0.32167379155409 0.87500000000000 22.990 > 9 47 Na 0.33687962357211 0.82167379155409 0.87500000000000 22.990 > 9 48 Na 0.83687962357211 0.82167379155409 0.87500000000000 22.990 > 9 49 Na 0.33687962357211 0.17832620844591 0.12500000000000 22.990 > 17 50 Na 0.83687962357211 0.17832620844591 0.12500000000000 22.990 > 17 51 Na 0.33687962357211 0.67832620844591 0.12500000000000 22.990 > 17 52 Na 0.83687962357211 0.67832620844591 0.12500000000000 22.990 > 17 53 Na 0.33687962357211 0.17832620844591 0.62500000000000 22.990 > 17 54 Na 0.83687962357211 0.17832620844591 0.62500000000000 22.990 > 17 55 Na 0.33687962357211 0.67832620844591 0.62500000000000 22.990 > 17 56 Na 0.83687962357211 0.67832620844591 0.62500000000000 22.990 > 17 57 Na 0.16312037642789 0.32167379155409 0.37500000000000 22.990 > 25 58 Na 0.66312037642789 0.32167379155409 0.37500000000000 22.990 > 25 59 Na 0.16312037642789 0.82167379155409 0.37500000000000 22.990 > 25 60 Na 0.66312037642789 0.82167379155409 0.37500000000000 22.990 > 25 61 Na 0.16312037642789 0.32167379155409 0.87500000000000 22.990 > 25 62 Na 0.66312037642789 0.32167379155409 0.87500000000000 22.990 > 25 63 Na 0.16312037642789 0.82167379155409 0.87500000000000 22.990 > 25 64 Na 0.66312037642789 0.82167379155409 0.87500000000000 22.990 > 25 65 P 0.25000000000000 0.13099055618750 0.37500000000000 30.974 > 65 66 P 0.75000000000000 0.13099055618750 0.37500000000000 30.974 > 65 67 P 0.25000000000000 0.63099055618750 0.37500000000000 30.974 > 65 68 P 0.75000000000000 0.63099055618750 0.37500000000000 30.974 > 65 69 P 0.25000000000000 0.13099055618750 0.87500000000000 30.974 > 65 70 P 0.75000000000000 0.13099055618750 0.87500000000000 30.974 > 65 71 P 0.25000000000000 0.63099055618750 0.87500000000000 30.974 > 65 72 P 0.75000000000000 0.63099055618750 0.87500000000000 30.974 > 65 73 P 0.25000000000000 0.36900944381250 0.12500000000000 30.974 > 73 74 P 0.75000000000000 0.36900944381250 0.12500000000000 30.974 > 73 75 P 0.25000000000000 0.86900944381250 0.12500000000000 30.974 > 73 76 P 0.75000000000000 0.86900944381250 0.12500000000000 30.974 > 73 77 P 0.25000000000000 0.36900944381250 0.62500000000000 30.974 > 73 78 P 0.75000000000000 0.36900944381250 0.62500000000000 30.974 > 73 79 P 0.25000000000000 0.86900944381250 0.62500000000000 30.974 > 73 80 P 0.75000000000000 0.86900944381250 0.62500000000000 30.974 > 73 81 P 0.00000000000000 0.38099055618750 0.37500000000000 30.974 > 65 82 P 0.50000000000000 0.38099055618750 0.37500000000000 30.974 > 65 83 P 0.00000000000000 0.88099055618750 0.37500000000000 30.974 > 65 84 P 0.50000000000000 0.88099055618750 0.37500000000000 30.974 > 65 85 P 0.00000000000000 0.38099055618750 0.87500000000000 30.974 > 65 86 P 0.50000000000000 0.38099055618750 0.87500000000000 30.974 > 65 87 P 0.00000000000000 0.88099055618750 0.87500000000000 30.974 > 65 88 P 0.50000000000000 0.88099055618750 0.87500000000000 30.974 > 65 89 P 0.00000000000000 0.11900944381250 0.12500000000000 30.974 > 73 90 P 0.50000000000000 0.11900944381250 0.12500000000000 30.974 > 73 91 P 0.00000000000000 0.61900944381250 0.12500000000000 30.974 > 73 92 P 0.50000000000000 0.61900944381250 0.12500000000000 30.974 > 73 93 P 0.00000000000000 0.11900944381250 0.62500000000000 30.974 > 73 94 P 0.50000000000000 0.11900944381250 0.62500000000000 30.974 > 73 95 P 0.00000000000000 0.61900944381250 0.62500000000000 30.974 > 73 96 P 0.50000000000000 0.61900944381250 0.62500000000000 30.974 > 73 97 Cu 0.25000000000000 0.00000000000000 0.25000000000000 63.546 > 97 98 Cu 0.75000000000000 0.00000000000000 0.25000000000000 63.546 > 97 99 Cu 0.25000000000000 0.50000000000000 0.25000000000000 63.546 > 97 100 Cu 0.75000000000000 0.50000000000000 0.25000000000000 63.546 > 97 101 Cu 0.25000000000000 0.00000000000000 0.75000000000000 63.546 > 97 102 Cu 0.75000000000000 0.00000000000000 0.75000000000000 63.546 > 97 103 Cu 0.25000000000000 0.50000000000000 0.75000000000000 63.546 > 97 104 Cu 0.75000000000000 0.50000000000000 0.75000000000000 63.546 > 97 105 Cu 0.25000000000000 0.00000000000000 0.00000000000000 63.546 > 105 106 Cu 0.75000000000000 0.00000000000000 0.00000000000000 63.546 > 105 107 Cu 0.25000000000000 0.50000000000000 0.00000000000000 63.546 > 105 108 Cu 0.75000000000000 0.50000000000000 0.00000000000000 63.546 > 105 109 Cu 0.25000000000000 0.00000000000000 0.50000000000000 63.546 > 105 110 Cu 0.75000000000000 0.00000000000000 0.50000000000000 63.546 > 105 111 Cu 0.25000000000000 0.50000000000000 0.50000000000000 63.546 > 105 112 Cu 0.75000000000000 0.50000000000000 0.50000000000000 63.546 > 105 113 Cu 0.00000000000000 0.25000000000000 0.25000000000000 63.546 > 97 114 Cu 0.50000000000000 0.25000000000000 0.25000000000000 63.546 > 97 115 Cu 0.00000000000000 0.75000000000000 0.25000000000000 63.546 > 97 116 Cu 0.50000000000000 0.75000000000000 0.25000000000000 63.546 > 97 117 Cu 0.00000000000000 0.25000000000000 0.75000000000000 63.546 > 97 118 Cu 0.50000000000000 0.25000000000000 0.75000000000000 63.546 > 97 119 Cu 0.00000000000000 0.75000000000000 0.75000000000000 63.546 > 97 120 Cu 0.50000000000000 0.75000000000000 0.75000000000000 63.546 > 97 121 Cu 0.00000000000000 0.25000000000000 0.00000000000000 63.546 > 105 122 Cu 0.50000000000000 0.25000000000000 0.00000000000000 63.546 > 105 123 Cu 0.00000000000000 0.75000000000000 0.00000000000000 63.546 > 105 124 Cu 0.50000000000000 0.75000000000000 0.00000000000000 63.546 > 105 125 Cu 0.00000000000000 0.25000000000000 0.50000000000000 63.546 > 105 126 Cu 0.50000000000000 0.25000000000000 0.50000000000000 63.546 > 105 127 Cu 0.00000000000000 0.75000000000000 0.50000000000000 63.546 > 105 128 Cu 0.50000000000000 0.75000000000000 0.50000000000000 63.546 > 105 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 7.7074911 0.0000000 0.0000000 0.0000000 9.3973282 0.0000000 0.0000000 0.0000000 24.6130794 -------------------------- Born effective charges -------------------------- 1 Na 1.1686729 -0.0532485 0.0000000 -0.2068445 1.1515927 0.0000000 0.0000000 0.0000000 1.1759422 2 Na 1.1686729 -0.0532485 0.0000000 -0.2068445 1.1515927 0.0000000 0.0000000 0.0000000 1.1759422 3 Na 1.1686729 0.0532485 0.0000000 0.2068445 1.1515927 0.0000000 0.0000000 0.0000000 1.1759422 4 Na 1.1686729 0.0532485 0.0000000 0.2068445 1.1515927 0.0000000 0.0000000 0.0000000 1.1759422 5 P -1.6931764 0.0000000 0.0000000 0.0000000 -2.7794729 0.0000000 0.0000000 0.0000000 -3.6124845 6 P -1.6931764 0.0000000 0.0000000 0.0000000 -2.7794729 0.0000000 0.0000000 0.0000000 -3.6124845 7 Cu -0.6441694 0.0000000 0.0000000 0.0000000 0.4762875 0.6117308 0.0000000 2.1077561 1.2606000 8 Cu -0.6441694 0.0000000 0.0000000 0.0000000 0.4762875 -0.6117308 0.0000000 -2.1077561 1.2606000 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000007 (yyy) 0.00000007 (yyy) 0.00000007 (yyy) Max drift of fc2: 0.00000000 (zy) 0.00000000 (zy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 9 10 ] 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: 0.78, Number of G-points: 299, Lambda: 0.30 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/150) ======================= 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 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 150 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 3.156 ( 0.000 0.000 0.000) 0.000 3.277 ( 0.000 0.000 0.000) 0.000 3.410 ( 0.000 0.000 0.000) 0.000 3.590 ( 0.000 0.000 0.000) 0.000 3.797 ( 0.000 0.000 0.000) 0.000 4.038 ( 0.000 0.000 0.000) 0.000 4.176 ( 0.000 0.000 0.000) 0.000 4.264 ( 0.000 0.000 0.000) 0.000 4.310 ( 0.000 0.000 0.000) 0.000 4.316 ( 0.000 0.000 0.000) 0.000 4.751 ( 0.000 0.000 0.000) 0.000 4.945 ( 0.000 0.000 0.000) 0.000 5.783 ( 0.000 0.000 0.000) 0.000 5.815 ( 0.000 0.000 0.000) 0.000 5.891 ( 0.000 0.000 0.000) 0.000 6.252 ( 0.000 0.000 0.000) 0.000 6.545 ( 0.000 0.000 0.000) 0.000 7.782 ( 0.000 0.000 0.000) 0.000 9.391 ( 0.000 0.000 0.000) 0.000 10.248 ( 0.000 0.000 0.000) 0.000 11.389 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/150) ======================= q-point: ( 0.11 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 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.657 ( 9.487 -31.720 0.000) 33.108 0.667 ( 32.730 -14.256 0.000) 35.700 0.905 ( 17.258 -40.539 0.000) 44.060 3.148 ( -0.016 0.975 0.000) 0.975 3.263 ( -1.636 0.450 0.000) 1.697 3.456 ( 5.675 -0.371 0.000) 5.688 3.606 ( 6.477 5.528 0.000) 8.515 3.802 ( -1.594 -1.816 0.000) 2.416 4.035 ( 1.315 15.861 0.000) 15.915 4.154 ( -9.794 -3.758 0.000) 10.491 4.267 ( -0.443 0.878 0.000) 0.983 4.441 ( -9.916 -11.097 0.000) 14.882 4.551 ( 1.346 -15.276 0.000) 15.335 4.828 ( -7.758 -2.579 0.000) 8.176 5.145 ( -5.558 -1.171 0.000) 5.680 5.554 ( -23.765 0.374 0.000) 23.767 5.767 ( -0.182 1.829 0.000) 1.838 6.115 ( 15.439 -0.581 0.000) 15.450 6.245 ( -7.321 -5.116 0.000) 8.932 6.956 ( 38.611 29.515 0.000) 48.600 7.775 ( -0.432 0.440 0.000) 0.616 9.411 ( 0.879 -1.639 0.000) 1.859 10.239 ( -0.851 0.359 0.000) 0.923 11.780 ( -18.055 -15.203 0.000) 23.604 ======================= Grid point 2 (3/150) ======================= q-point: ( 0.22 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 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.256 ( 8.092 -27.611 0.000) 28.773 1.294 ( 28.884 -13.629 0.000) 31.938 1.734 ( 15.142 -34.993 0.000) 38.129 3.125 ( -0.275 1.681 0.000) 1.704 3.225 ( -2.839 0.340 0.000) 2.859 3.518 ( 7.207 5.501 0.000) 9.066 3.598 ( 4.666 3.607 0.000) 5.897 3.762 ( -0.476 10.723 0.000) 10.733 3.855 ( 0.334 2.128 0.000) 2.154 4.048 ( -7.716 0.782 0.000) 7.756 4.330 ( 0.252 -7.354 0.000) 7.358 4.487 ( -1.366 -5.047 0.000) 5.229 4.766 ( -3.394 1.291 0.000) 3.631 4.815 ( 2.150 -14.261 0.000) 14.422 5.070 ( -6.006 3.336 0.000) 6.871 5.254 ( -17.444 0.962 0.000) 17.470 5.718 ( -0.510 3.814 0.000) 3.848 6.124 ( -11.395 -0.239 0.000) 11.398 6.361 ( 9.595 -4.071 0.000) 10.423 6.974 ( 20.676 15.875 0.000) 26.068 7.761 ( -0.541 0.396 0.000) 0.670 9.459 ( 1.222 -2.313 0.000) 2.616 10.216 ( -1.189 0.797 0.000) 1.431 11.797 ( -8.058 -7.659 0.000) 11.117 ======================= Grid point 3 (4/150) ======================= q-point: ( 0.33 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 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.743 ( 5.903 -20.632 0.000) 21.460 1.835 ( 21.869 -11.765 0.000) 24.833 2.396 ( 10.905 -24.444 0.000) 26.767 3.090 ( -0.805 1.503 0.000) 1.705 3.191 ( -2.790 -1.033 0.000) 2.975 3.450 ( 4.181 10.110 0.000) 10.940 3.539 ( 0.937 14.742 0.000) 14.772 3.591 ( -2.098 0.454 0.000) 2.147 3.873 ( -0.805 -2.438 0.000) 2.567 3.999 ( 4.021 0.744 0.000) 4.090 4.416 ( -4.078 -5.823 0.000) 7.109 4.599 ( 3.208 0.713 0.000) 3.286 4.750 ( -4.750 -8.724 0.000) 9.933 4.808 ( -11.066 6.810 0.000) 12.993 5.063 ( 2.353 -12.515 0.000) 12.735 5.164 ( 0.606 0.352 0.000) 0.701 5.629 ( -0.997 5.874 0.000) 5.958 5.918 ( -15.487 3.589 0.000) 15.898 6.536 ( 6.129 -4.751 0.000) 7.755 6.962 ( 11.452 11.282 0.000) 16.076 7.751 ( -0.364 0.083 0.000) 0.374 9.509 ( 0.961 -1.855 0.000) 2.089 10.187 ( -0.933 0.944 0.000) 1.327 11.817 ( -4.134 -4.375 0.000) 6.020 ======================= Grid point 4 (5/150) ======================= q-point: ( 0.44 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 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.044 ( 2.386 -8.454 0.000) 8.784 2.194 ( 9.215 -5.635 0.000) 10.802 2.762 ( 3.556 -8.377 0.000) 9.101 3.064 ( -0.519 0.385 0.000) 0.647 3.197 ( -1.909 -3.567 0.000) 4.046 3.339 ( 0.585 5.690 0.000) 5.720 3.340 ( 1.067 10.067 0.000) 10.123 3.565 ( -1.884 -1.336 0.000) 2.310 3.896 ( -0.324 -1.044 0.000) 1.093 4.131 ( 14.931 -1.189 0.000) 14.979 4.426 ( -16.022 0.648 0.000) 16.035 4.463 ( -8.508 -1.866 0.000) 8.710 4.544 ( 0.645 4.902 0.000) 4.944 5.050 ( 10.559 -7.597 0.000) 13.008 5.184 ( 2.722 0.123 0.000) 2.725 5.269 ( 1.750 -8.636 0.000) 8.811 5.508 ( -1.232 6.358 0.000) 6.476 5.642 ( -12.919 5.117 0.000) 13.896 6.661 ( 1.762 -3.575 0.000) 3.986 6.916 ( 3.914 5.781 0.000) 6.981 7.748 ( -0.117 -0.033 0.000) 0.121 9.539 ( 0.352 -0.690 0.000) 0.774 10.166 ( -0.340 0.435 0.000) 0.552 11.830 ( -1.324 -1.483 0.000) 1.988 ======================= Grid point 10 (6/150) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.536 ( 20.515 -0.000 0.000) 20.515 0.575 ( 21.378 -0.000 0.000) 21.378 1.274 ( 45.694 -0.000 0.000) 45.694 3.156 ( -0.018 0.000 0.000) 0.018 3.232 ( -3.611 0.000 0.000) 3.611 3.542 ( 6.599 -0.000 0.000) 6.599 3.759 ( -2.318 0.000 0.000) 2.318 3.793 ( 8.549 -0.000 0.000) 8.549 3.909 ( -3.140 0.000 0.000) 3.140 4.272 ( -3.301 0.000 0.000) 3.301 4.277 ( 1.986 -0.000 0.000) 1.986 4.284 ( 1.487 -0.000 0.000) 1.487 4.355 ( 3.041 -0.000 0.000) 3.041 4.735 ( -1.113 0.000 0.000) 1.113 5.117 ( 1.209 -0.000 0.000) 1.209 5.261 ( -21.724 0.000 0.000) 21.724 5.779 ( -0.283 0.000 0.000) 0.283 6.041 ( -14.631 0.000 0.000) 14.631 6.304 ( 12.760 -0.000 0.000) 12.760 7.611 ( 3.526 -0.000 0.000) 3.526 7.769 ( -0.981 0.000 0.000) 0.981 9.414 ( 1.679 -0.000 0.000) 1.679 10.253 ( 0.417 -0.000 0.000) 0.417 11.390 ( 0.053 -0.000 0.000) 0.053 ======================= Grid point 11 (7/150) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.014 ( 15.848 -18.890 0.000) 24.658 1.090 ( 14.116 -29.625 0.000) 32.816 1.858 ( 36.751 -5.087 0.000) 37.101 3.142 ( -1.302 1.382 0.000) 1.898 3.178 ( -4.251 -0.371 0.000) 4.267 3.578 ( -4.047 -1.413 0.000) 4.287 3.748 ( -2.061 -1.988 0.000) 2.864 3.822 ( 9.148 11.212 0.000) 14.470 3.989 ( 6.492 -2.889 0.000) 7.106 4.085 ( 2.231 15.946 0.000) 16.102 4.223 ( -2.418 -2.795 0.000) 3.696 4.352 ( -4.653 -9.406 0.000) 10.494 4.611 ( 2.983 -15.016 0.000) 15.309 4.713 ( -2.158 1.494 0.000) 2.624 4.994 ( -11.967 3.514 0.000) 12.473 5.165 ( 0.892 -1.993 0.000) 2.183 5.759 ( -0.470 2.019 0.000) 2.073 5.875 ( -17.562 -4.571 0.000) 18.148 6.440 ( 7.212 -0.749 0.000) 7.251 7.482 ( 7.808 17.063 0.000) 18.764 7.753 ( -1.227 0.057 0.000) 1.228 9.449 ( 1.873 -1.257 0.000) 2.255 10.233 ( 0.296 2.330 0.000) 2.348 11.519 ( -4.240 -12.527 0.000) 13.225 ======================= Grid point 12 (8/150) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.512 ( 10.934 -19.977 0.000) 22.774 1.722 ( 11.124 -26.468 0.000) 28.711 2.351 ( 21.732 -7.723 0.000) 23.063 3.077 ( -4.929 0.473 0.000) 4.952 3.149 ( -1.422 -0.040 0.000) 1.422 3.503 ( -9.284 -1.900 0.000) 9.476 3.653 ( -4.713 12.116 0.000) 13.000 3.746 ( -0.646 3.097 0.000) 3.164 3.872 ( 0.868 9.882 0.000) 9.920 4.129 ( 14.689 0.094 0.000) 14.690 4.280 ( -2.990 -5.179 0.000) 5.980 4.447 ( -8.469 -6.239 0.000) 10.519 4.671 ( 3.916 2.558 0.000) 4.678 4.871 ( 2.417 0.361 0.000) 2.443 4.886 ( 3.078 -13.808 0.000) 14.147 5.214 ( 4.715 0.516 0.000) 4.743 5.700 ( -0.839 4.270 0.000) 4.351 5.710 ( -17.750 -2.805 0.000) 17.970 6.518 ( 1.233 -2.371 0.000) 2.673 7.306 ( 4.850 15.053 0.000) 15.815 7.740 ( -1.031 -0.332 0.000) 1.083 9.495 ( 1.405 -1.566 0.000) 2.104 10.197 ( -0.349 1.906 0.000) 1.938 11.646 ( -3.648 -9.566 0.000) 10.238 ======================= Grid point 13 (9/150) ======================= q-point: ( 0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.912 ( 6.742 -14.145 0.000) 15.670 2.180 ( 7.903 -11.878 0.000) 14.267 2.621 ( 0.295 -7.851 0.000) 7.857 3.023 ( -4.540 -1.828 0.000) 4.894 3.139 ( -0.891 -0.718 0.000) 1.144 3.380 ( -9.587 6.345 0.000) 11.497 3.469 ( -5.852 -5.775 0.000) 8.222 3.566 ( 1.022 14.717 0.000) 14.753 3.851 ( -0.855 -2.844 0.000) 2.969 4.279 ( -8.640 0.052 0.000) 8.640 4.339 ( -0.335 0.201 0.000) 0.391 4.385 ( 19.966 -0.093 0.000) 19.966 4.635 ( 0.636 4.771 0.000) 4.813 5.054 ( 7.317 -6.291 0.000) 9.650 5.132 ( 2.827 -11.697 0.000) 12.034 5.259 ( 3.605 3.457 0.000) 4.995 5.549 ( -5.963 -1.659 0.000) 6.190 5.598 ( -1.348 6.441 0.000) 6.581 6.552 ( -4.693 -4.596 0.000) 6.569 7.113 ( -0.248 12.274 0.000) 12.276 7.738 ( -0.622 -0.643 0.000) 0.895 9.531 ( 0.639 -1.018 0.000) 1.202 10.166 ( -0.762 0.845 0.000) 1.138 11.743 ( -1.523 -6.662 0.000) 6.834 ======================= Grid point 14 (10/150) ======================= q-point: (-0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.102 ( 1.965 -1.114 0.000) 2.259 2.167 ( -12.763 9.084 0.000) 15.666 2.722 ( -3.108 -7.417 0.000) 8.042 3.027 ( -2.156 -3.687 0.000) 4.271 3.166 ( -0.543 -4.554 0.000) 4.586 3.242 ( -4.872 -1.155 0.000) 5.007 3.367 ( 0.930 10.319 0.000) 10.361 3.523 ( -3.404 -6.032 0.000) 6.926 3.886 ( -0.392 -2.073 0.000) 2.110 4.106 ( -1.417 8.556 0.000) 8.672 4.391 ( -1.968 -7.412 0.000) 7.669 4.574 ( 1.566 4.075 0.000) 4.366 4.678 ( 16.270 -1.741 0.000) 16.363 5.078 ( -2.347 8.223 0.000) 8.552 5.174 ( 0.508 0.408 0.000) 0.652 5.320 ( 2.100 -5.178 0.000) 5.587 5.471 ( -1.600 4.507 0.000) 4.783 5.733 ( 16.117 -6.328 0.000) 17.315 6.538 ( -10.527 -5.177 0.000) 11.731 6.912 ( -4.659 8.086 0.000) 9.332 7.743 ( -0.268 -0.575 0.000) 0.634 9.542 ( -0.048 0.077 0.000) 0.091 10.155 ( -0.517 -0.643 0.000) 0.825 11.823 ( 0.635 -3.826 0.000) 3.878 ======================= Grid point 15 (11/150) ======================= q-point: (-0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.711 ( -24.805 13.999 0.000) 28.483 1.988 ( -1.735 14.477 0.000) 14.581 2.658 ( -1.999 13.506 0.000) 13.654 3.063 ( -0.318 -2.398 0.000) 2.419 3.249 ( 1.767 1.594 0.000) 2.379 3.266 ( -2.832 -6.655 0.000) 7.233 3.314 ( -0.887 -9.550 0.000) 9.592 3.543 ( -4.494 -2.757 0.000) 5.273 3.902 ( 0.160 0.012 0.000) 0.160 4.026 ( 5.109 3.355 0.000) 6.112 4.516 ( 0.082 -8.178 0.000) 8.179 4.544 ( 2.544 2.973 0.000) 3.913 4.643 ( -12.044 3.299 0.000) 12.488 5.094 ( 8.490 3.900 0.000) 9.343 5.233 ( -1.005 11.085 0.000) 11.131 5.238 ( 18.054 0.582 0.000) 18.063 5.534 ( 0.693 -7.318 0.000) 7.351 6.030 ( 13.759 -4.668 0.000) 14.530 6.432 ( -14.566 -2.113 0.000) 14.718 6.747 ( -8.814 1.583 0.000) 8.955 7.749 ( -0.034 -0.428 0.000) 0.429 9.527 ( -0.461 1.395 0.000) 1.469 10.174 ( 0.260 -1.766 0.000) 1.785 11.883 ( 2.325 -1.264 0.000) 2.646 ======================= Grid point 16 (12/150) ======================= q-point: (-0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.134 ( -23.778 16.870 0.000) 29.154 1.630 ( -2.472 25.167 0.000) 25.288 2.241 ( -2.100 33.073 0.000) 33.140 3.097 ( 0.032 -1.976 0.000) 1.976 3.246 ( 1.148 0.117 0.000) 1.154 3.347 ( -2.479 -6.899 0.000) 7.331 3.512 ( -4.014 -0.818 0.000) 4.096 3.522 ( -0.379 -14.757 0.000) 14.761 3.889 ( 0.363 1.924 0.000) 1.958 4.111 ( 6.768 -2.382 0.000) 7.175 4.404 ( -5.343 6.547 0.000) 8.451 4.573 ( 4.044 0.048 0.000) 4.045 4.680 ( -1.059 -9.605 0.000) 9.663 5.019 ( -0.922 13.315 0.000) 13.347 5.083 ( 0.521 1.067 0.000) 1.188 5.545 ( 25.594 0.065 0.000) 25.594 5.647 ( 0.364 -5.616 0.000) 5.628 6.122 ( -12.222 -0.283 0.000) 12.225 6.344 ( 3.719 -1.041 0.000) 3.862 6.608 ( -13.351 -1.391 0.000) 13.423 7.757 ( 0.095 -0.539 0.000) 0.547 9.488 ( -0.480 2.458 0.000) 2.505 10.211 ( 0.715 -1.760 0.000) 1.900 11.927 ( 3.171 0.155 0.000) 3.175 ======================= Grid point 17 (13/150) ======================= q-point: (-0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.637 ( -0.000 20.000 0.000) 20.000 1.142 ( -0.000 31.860 0.000) 31.860 1.586 ( -0.000 44.213 0.000) 44.213 3.127 ( 0.000 -1.635 0.000) 1.635 3.262 ( 0.000 -0.785 0.000) 0.785 3.411 ( 0.000 -2.544 0.000) 2.544 3.501 ( 0.000 -2.516 0.000) 2.516 3.768 ( 0.000 -15.746 0.000) 15.746 3.852 ( -0.000 2.725 0.000) 2.725 4.214 ( 0.000 -3.608 0.000) 3.608 4.275 ( -0.000 5.109 0.000) 5.109 4.604 ( -0.000 2.258 0.000) 2.258 4.785 ( -0.000 14.564 0.000) 14.564 4.817 ( 0.000 -7.605 0.000) 7.605 5.131 ( 0.000 -6.430 0.000) 6.430 5.724 ( 0.000 -3.655 0.000) 3.655 5.840 ( 0.000 -0.241 0.000) 0.241 5.895 ( -0.000 0.177 0.000) 0.177 6.391 ( -0.000 5.408 0.000) 5.408 6.494 ( 0.000 -2.986 0.000) 2.986 7.768 ( 0.000 -0.680 0.000) 0.680 9.442 ( -0.000 2.638 0.000) 2.638 10.239 ( 0.000 -0.876 0.000) 0.876 11.954 ( -0.000 0.013 0.000) 0.013 ======================= Grid point 20 (14/150) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.050 ( 19.001 -0.000 0.000) 19.001 1.089 ( 18.311 -0.000 0.000) 18.311 2.253 ( 28.419 -0.000 0.000) 28.419 3.086 ( -7.665 0.000 0.000) 7.665 3.153 ( -0.224 0.000 0.000) 0.224 3.449 ( -11.719 0.000 0.000) 11.719 3.705 ( -1.640 0.000 0.000) 1.640 4.018 ( -20.097 0.000 0.000) 20.097 4.112 ( 2.235 -0.000 0.000) 2.235 4.145 ( 14.767 -0.000 0.000) 14.767 4.217 ( 13.448 -0.000 0.000) 13.448 4.335 ( 2.287 -0.000 0.000) 2.287 4.442 ( 3.295 -0.000 0.000) 3.295 4.777 ( 6.184 -0.000 0.000) 6.184 4.913 ( -5.056 0.000 0.000) 5.056 5.154 ( 1.122 -0.000 0.000) 1.122 5.607 ( -16.572 0.000 0.000) 16.572 5.770 ( -0.433 0.000 0.000) 0.433 6.496 ( 1.999 -0.000 0.000) 1.999 7.640 ( -2.471 0.000 0.000) 2.471 7.734 ( -1.705 0.000 0.000) 1.705 9.465 ( 1.995 -0.000 0.000) 1.995 10.268 ( 0.673 -0.000 0.000) 0.673 11.388 ( -0.297 0.000 0.000) 0.297 ======================= Grid point 21 (15/150) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.415 ( 14.757 -11.628 0.000) 18.788 1.473 ( 14.856 -20.702 0.000) 25.480 2.553 ( 16.275 0.115 0.000) 16.275 2.982 ( -8.596 -0.660 0.000) 8.622 3.146 ( -0.372 0.424 0.000) 0.564 3.298 ( -15.122 -3.572 0.000) 15.538 3.647 ( -19.875 7.754 0.000) 21.334 3.706 ( -1.154 -2.197 0.000) 2.482 4.105 ( -7.937 -5.228 0.000) 9.504 4.141 ( 1.990 16.761 0.000) 16.879 4.355 ( 16.009 -0.420 0.000) 16.014 4.489 ( 18.955 1.753 0.000) 19.036 4.691 ( 2.943 -15.071 0.000) 15.356 4.793 ( 3.478 5.695 0.000) 6.673 4.899 ( 4.745 -1.110 0.000) 4.873 5.247 ( 4.208 -7.705 0.000) 8.780 5.440 ( -11.873 -1.036 0.000) 11.918 5.745 ( -0.548 2.352 0.000) 2.415 6.488 ( -3.397 -0.146 0.000) 3.400 7.503 ( -5.493 8.710 0.000) 10.297 7.715 ( -1.626 -0.527 0.000) 1.709 9.495 ( 1.509 -0.762 0.000) 1.691 10.245 ( 0.492 3.310 0.000) 3.346 11.458 ( -1.339 -8.237 0.000) 8.345 ======================= Grid point 22 (16/150) ======================= q-point: ( 0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.791 ( 10.207 -13.419 0.000) 16.859 2.002 ( 10.368 -22.038 0.000) 24.355 2.583 ( -5.860 6.269 0.000) 8.582 2.901 ( -7.710 -2.887 0.000) 8.233 3.133 ( -0.357 0.469 0.000) 0.590 3.229 ( -10.320 -8.462 0.000) 13.346 3.333 ( -10.457 3.900 0.000) 11.161 3.731 ( -0.515 -0.578 0.000) 0.774 3.895 ( 0.813 14.181 0.000) 14.204 4.097 ( -7.479 -6.322 0.000) 9.792 4.464 ( 5.501 6.026 0.000) 8.160 4.657 ( 14.995 2.327 0.000) 15.174 4.734 ( 3.699 5.319 0.000) 6.479 4.962 ( 2.617 -13.726 0.000) 13.974 5.044 ( 5.388 -4.866 0.000) 7.260 5.314 ( -5.437 1.965 0.000) 5.781 5.510 ( 16.754 -7.202 0.000) 18.236 5.677 ( -0.814 4.926 0.000) 4.993 6.420 ( -8.528 -1.223 0.000) 8.616 7.251 ( -8.476 10.594 0.000) 13.567 7.711 ( -1.101 -1.177 0.000) 1.612 9.524 ( 0.760 -0.851 0.000) 1.141 10.190 ( -0.313 3.179 0.000) 3.195 11.590 ( -1.027 -9.506 0.000) 9.561 ======================= Grid point 23 (17/150) ======================= q-point: (-0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.072 ( 5.173 -7.630 0.000) 9.218 2.169 ( -13.576 12.280 0.000) 18.306 2.504 ( 1.076 -16.293 0.000) 16.329 2.893 ( -4.712 -6.365 0.000) 7.920 3.128 ( -0.205 -0.487 0.000) 0.528 3.160 ( -5.860 -0.717 0.000) 5.904 3.349 ( -2.966 -8.516 0.000) 9.018 3.588 ( 0.638 14.666 0.000) 14.680 3.832 ( -0.586 -2.975 0.000) 3.032 4.130 ( -3.741 -6.931 0.000) 7.876 4.391 ( 4.163 8.966 0.000) 9.885 4.649 ( 0.533 3.852 0.000) 3.888 4.765 ( -1.962 2.539 0.000) 3.209 5.147 ( 2.150 -1.861 0.000) 2.844 5.198 ( 2.069 -11.584 0.000) 11.767 5.316 ( 15.853 3.408 0.000) 16.215 5.565 ( -1.121 7.378 0.000) 7.462 5.862 ( 19.343 -5.697 0.000) 20.165 6.311 ( -13.557 -2.865 0.000) 13.856 6.960 ( -10.810 9.236 0.000) 14.218 7.722 ( -0.521 -1.308 0.000) 1.408 9.540 ( 0.153 -0.374 0.000) 0.404 10.146 ( -0.703 1.035 0.000) 1.252 11.729 ( 0.089 -8.040 0.000) 8.040 ======================= Grid point 24 (18/150) ======================= q-point: (-0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.709 ( -14.547 17.703 0.000) 22.913 2.139 ( 0.777 4.372 0.000) 4.441 2.724 ( 1.457 -4.736 0.000) 4.955 2.978 ( -1.176 -7.503 0.000) 7.595 3.151 ( -2.051 -4.178 0.000) 4.654 3.159 ( -0.071 -4.576 0.000) 4.577 3.384 ( 0.371 10.216 0.000) 10.222 3.425 ( -2.731 -5.187 0.000) 5.862 3.878 ( -0.186 -2.709 0.000) 2.715 4.198 ( 5.914 3.418 0.000) 6.831 4.333 ( -3.277 -4.379 0.000) 5.469 4.596 ( -3.247 3.652 0.000) 4.887 4.621 ( -2.606 4.349 0.000) 5.070 5.164 ( 0.469 1.471 0.000) 1.544 5.375 ( 2.091 -1.139 0.000) 2.381 5.426 ( -1.881 1.477 0.000) 2.391 5.564 ( 24.345 0.844 0.000) 24.360 6.098 ( -6.186 -0.810 0.000) 6.238 6.214 ( 1.818 -5.522 0.000) 5.814 6.695 ( -10.445 5.849 0.000) 11.971 7.737 ( -0.148 -0.934 0.000) 0.945 9.539 ( -0.111 0.552 0.000) 0.564 10.144 ( -0.278 -1.466 0.000) 1.493 11.845 ( 0.690 -5.491 0.000) 5.534 ======================= Grid point 25 (19/150) ======================= q-point: (-0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.291 ( -0.000 20.008 0.000) 20.008 1.964 ( -0.000 16.839 0.000) 16.839 2.643 ( -0.000 16.072 0.000) 16.072 3.058 ( 0.000 -3.147 0.000) 3.147 3.227 ( 0.000 -6.160 0.000) 6.160 3.277 ( -0.000 3.555 0.000) 3.555 3.298 ( 0.000 -11.990 0.000) 11.990 3.462 ( 0.000 -2.266 0.000) 2.266 3.904 ( 0.000 -0.448 0.000) 0.448 4.161 ( -0.000 3.323 0.000) 3.323 4.421 ( 0.000 -2.079 0.000) 2.079 4.517 ( 0.000 -4.590 0.000) 4.590 4.596 ( -0.000 0.342 0.000) 0.342 5.125 ( -0.000 3.188 0.000) 3.188 5.220 ( -0.000 11.985 0.000) 11.985 5.543 ( 0.000 -7.605 0.000) 7.605 5.854 ( -0.000 1.268 0.000) 1.268 5.884 ( 0.000 -1.315 0.000) 1.315 6.368 ( 0.000 -4.443 0.000) 4.443 6.530 ( -0.000 3.925 0.000) 3.925 7.748 ( 0.000 -0.605 0.000) 0.605 9.520 ( -0.000 1.680 0.000) 1.680 10.178 ( 0.000 -2.559 0.000) 2.559 11.919 ( 0.000 -2.886 0.000) 2.886 ======================= Grid point 30 (20/150) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.501 ( 15.527 -0.000 0.000) 15.527 1.517 ( 14.736 -0.000 0.000) 14.736 2.743 ( 11.108 -0.000 0.000) 11.108 2.853 ( -9.872 0.000 0.000) 9.872 3.020 ( -21.213 0.000 0.000) 21.213 3.145 ( -0.386 0.000 0.000) 0.386 3.455 ( -17.545 0.000 0.000) 17.545 3.675 ( -0.802 0.000 0.000) 0.802 3.964 ( -7.103 0.000 0.000) 7.103 4.392 ( 1.997 -0.000 0.000) 1.997 4.515 ( 2.235 -0.000 0.000) 2.235 4.518 ( 10.323 -0.000 0.000) 10.323 4.792 ( 18.346 -0.000 0.000) 18.346 4.852 ( 0.013 -0.000 0.000) 0.013 5.053 ( -9.487 0.000 0.000) 9.487 5.066 ( 15.068 -0.000 0.000) 15.068 5.462 ( 11.145 -0.000 0.000) 11.145 5.759 ( -0.373 0.000 0.000) 0.373 6.415 ( -7.908 0.000 0.000) 7.908 7.452 ( -12.154 0.000 0.000) 12.154 7.688 ( -1.702 0.000 0.000) 1.702 9.507 ( 1.176 -0.000 0.000) 1.176 10.286 ( 0.621 -0.000 0.000) 0.621 11.375 ( -0.629 0.000 0.000) 0.629 ======================= Grid point 31 (21/150) ======================= q-point: ( 0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.757 ( 11.211 -7.572 0.000) 13.528 1.820 ( 11.116 -15.675 0.000) 19.217 2.612 ( -13.426 10.789 0.000) 17.223 2.747 ( -8.810 -2.413 0.000) 9.135 2.983 ( -1.826 -10.278 0.000) 10.439 3.137 ( -0.323 0.415 0.000) 0.525 3.246 ( -10.343 2.056 0.000) 10.545 3.685 ( -0.550 -2.190 0.000) 2.259 3.914 ( -6.344 -4.390 0.000) 7.715 4.183 ( 1.149 17.576 0.000) 17.613 4.602 ( 4.852 2.060 0.000) 5.271 4.753 ( 1.766 -15.420 0.000) 15.521 4.804 ( 1.417 5.342 0.000) 5.527 4.859 ( -1.983 3.425 0.000) 3.958 5.035 ( 4.419 -3.628 0.000) 5.718 5.319 ( 13.142 -3.584 0.000) 13.623 5.710 ( 23.356 -2.109 0.000) 23.451 5.733 ( -0.363 2.699 0.000) 2.724 6.285 ( -11.518 0.354 0.000) 11.523 7.224 ( -15.151 5.222 0.000) 16.025 7.677 ( -1.192 -1.044 0.000) 1.584 9.523 ( 0.627 -0.412 0.000) 0.750 10.254 ( 0.218 4.118 0.000) 4.124 11.434 ( -0.576 -7.539 0.000) 7.561 ======================= Grid point 32 (22/150) ======================= q-point: ( 0.56 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.006 ( 5.394 -8.585 0.000) 10.139 2.205 ( 0.415 -3.982 0.000) 4.004 2.264 ( -6.320 -1.989 0.000) 6.626 2.724 ( -4.751 -6.114 0.000) 7.743 3.072 ( -3.527 -2.347 0.000) 4.237 3.126 ( -0.153 0.386 0.000) 0.415 3.193 ( -1.550 -6.893 0.000) 7.065 3.721 ( -0.216 -1.796 0.000) 1.808 3.910 ( 0.316 15.899 0.000) 15.902 3.947 ( -3.405 -7.705 0.000) 8.424 4.592 ( 4.315 6.077 0.000) 7.453 4.726 ( 0.289 5.089 0.000) 5.097 4.759 ( -5.080 3.831 0.000) 6.363 5.011 ( 1.033 -13.911 0.000) 13.950 5.128 ( 1.387 -2.984 0.000) 3.290 5.556 ( 17.212 -2.010 0.000) 17.329 5.661 ( -0.349 5.484 0.000) 5.495 6.045 ( 18.605 -3.245 0.000) 18.886 6.111 ( -13.746 0.866 0.000) 13.773 6.928 ( -13.581 7.053 0.000) 15.303 7.690 ( -0.483 -1.741 0.000) 1.807 9.535 ( 0.176 -0.460 0.000) 0.492 10.181 ( -0.232 4.042 0.000) 4.049 11.578 ( -0.123 -9.956 0.000) 9.957 ======================= Grid point 33 (23/150) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.904 ( -0.000 17.213 0.000) 17.213 2.146 ( 0.000 -4.077 0.000) 4.077 2.562 ( 0.000 -15.809 0.000) 15.809 2.823 ( 0.000 -9.116 0.000) 9.116 3.078 ( 0.000 -2.624 0.000) 2.624 3.125 ( 0.000 -0.561 0.000) 0.561 3.310 ( 0.000 -7.130 0.000) 7.130 3.597 ( -0.000 14.633 0.000) 14.633 3.824 ( 0.000 -2.992 0.000) 2.992 4.078 ( 0.000 -10.742 0.000) 10.742 4.484 ( -0.000 11.941 0.000) 11.941 4.638 ( -0.000 4.780 0.000) 4.780 4.662 ( -0.000 3.001 0.000) 3.001 5.171 ( 0.000 -1.130 0.000) 1.130 5.227 ( 0.000 -11.864 0.000) 11.864 5.548 ( -0.000 8.039 0.000) 8.039 5.788 ( 0.000 -4.556 0.000) 4.556 5.927 ( -0.000 3.207 0.000) 3.207 6.234 ( 0.000 -3.379 0.000) 3.379 6.708 ( -0.000 6.994 0.000) 6.994 7.715 ( 0.000 -1.576 0.000) 1.576 9.542 ( 0.000 -0.143 0.000) 0.143 10.136 ( -0.000 1.101 0.000) 1.101 11.732 ( 0.000 -8.644 0.000) 8.644 ======================= Grid point 40 (24/150) ======================= q-point: ( 0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.810 ( 7.112 -0.000 0.000) 7.112 1.825 ( 7.759 -0.000 0.000) 7.759 2.531 ( -12.102 0.000 0.000) 12.102 2.621 ( -6.451 0.000 0.000) 6.451 2.908 ( 2.690 -0.000 0.000) 2.690 3.137 ( -0.201 0.000 0.000) 0.201 3.148 ( -6.450 0.000 0.000) 6.450 3.661 ( -0.270 0.000 0.000) 0.270 3.811 ( -3.683 0.000 0.000) 3.683 4.430 ( 0.780 -0.000 0.000) 0.780 4.554 ( 0.774 -0.000 0.000) 0.774 4.658 ( 1.762 -0.000 0.000) 1.762 4.820 ( -4.260 0.000 0.000) 4.260 4.875 ( 1.091 -0.000 0.000) 1.091 5.049 ( 2.380 -0.000 0.000) 2.380 5.491 ( 14.663 -0.000 0.000) 14.663 5.752 ( -0.143 0.000 0.000) 0.143 5.996 ( 20.999 -0.000 0.000) 20.999 6.136 ( -11.393 0.000 0.000) 11.393 7.057 ( -15.357 0.000 0.000) 15.357 7.654 ( -0.724 0.000 0.000) 0.724 9.526 ( 0.315 -0.000 0.000) 0.315 10.297 ( 0.251 -0.000 0.000) 0.251 11.361 ( -0.340 0.000 0.000) 0.340 ======================= Grid point 41 (25/150) ======================= q-point: (-0.44 -0.56 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.927 ( 0.000 -5.750 0.000) 5.750 1.981 ( 0.000 -14.152 0.000) 14.152 2.362 ( -0.000 9.810 0.000) 9.810 2.606 ( 0.000 -3.609 0.000) 3.609 2.987 ( 0.000 -5.846 0.000) 5.846 3.109 ( 0.000 -1.215 0.000) 1.215 3.132 ( -0.000 0.379 0.000) 0.379 3.678 ( 0.000 -2.169 0.000) 2.169 3.823 ( 0.000 -4.403 0.000) 4.403 4.198 ( -0.000 17.904 0.000) 17.904 4.664 ( -0.000 0.675 0.000) 0.675 4.769 ( -0.000 2.690 0.000) 2.690 4.777 ( 0.000 -15.618 0.000) 15.618 4.834 ( -0.000 5.428 0.000) 5.428 5.090 ( 0.000 -2.684 0.000) 2.684 5.634 ( 0.000 -3.548 0.000) 3.548 5.728 ( -0.000 2.855 0.000) 2.855 6.027 ( -0.000 2.096 0.000) 2.096 6.163 ( 0.000 -1.034 0.000) 1.034 6.906 ( -0.000 3.803 0.000) 3.803 7.660 ( 0.000 -1.250 0.000) 1.250 9.530 ( 0.000 -0.295 0.000) 0.295 10.257 ( -0.000 4.547 0.000) 4.547 11.427 ( 0.000 -7.657 0.000) 7.657 ======================= Grid point 83 (26/150) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.369 ( 0.000 0.000 19.487) 19.487 0.674 ( 0.000 0.000 34.518) 34.518 0.915 ( 0.000 0.000 46.777) 46.777 3.053 ( 0.000 0.000 -8.883) 8.883 3.383 ( 0.000 0.000 1.712) 1.712 3.485 ( 0.000 0.000 5.884) 5.884 3.548 ( 0.000 0.000 -4.481) 4.481 3.878 ( 0.000 0.000 -17.956) 17.956 4.028 ( 0.000 0.000 -0.938) 0.938 4.073 ( 0.000 0.000 -0.022) 0.022 4.225 ( 0.000 0.000 -7.307) 7.307 4.322 ( 0.000 0.000 0.641) 0.641 4.512 ( 0.000 0.000 13.114) 13.114 4.714 ( 0.000 0.000 -3.840) 3.840 5.016 ( 0.000 0.000 6.022) 6.022 5.673 ( 0.000 0.000 -6.296) 6.296 5.927 ( 0.000 0.000 6.141) 6.141 5.933 ( 0.000 0.000 4.202) 4.202 6.243 ( 0.000 0.000 -0.934) 0.934 6.542 ( 0.000 0.000 -0.292) 0.292 7.832 ( 0.000 0.000 5.151) 5.151 9.854 ( 0.000 0.000 -12.571) 12.571 10.393 ( 0.000 0.000 10.416) 10.416 11.381 ( 0.000 0.000 -0.848) 0.848 ======================= Grid point 84 (27/150) ======================= q-point: ( 0.11 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.706 ( 7.928 -12.321 19.489) 24.382 0.786 ( 35.556 -8.446 8.994) 37.636 1.375 ( 6.405 -33.145 33.837) 47.797 3.065 ( 1.213 -0.196 -7.593) 7.692 3.354 ( -2.234 1.363 4.953) 5.602 3.481 ( 4.739 6.008 -3.076) 8.247 3.545 ( 3.410 1.511 -0.580) 3.775 3.847 ( -3.589 5.488 1.287) 6.682 3.881 ( 0.970 0.125 -8.307) 8.364 4.156 ( -5.755 -2.248 -6.851) 9.225 4.218 ( 2.876 2.159 -4.209) 5.536 4.328 ( -3.381 -3.562 -2.460) 5.493 4.597 ( 0.429 -7.821 4.560) 9.063 4.792 ( -1.017 -6.896 -4.554) 8.327 5.032 ( 4.421 1.647 2.752) 5.462 5.530 ( -17.893 0.966 -2.509) 18.094 5.796 ( -4.443 2.286 2.823) 5.739 6.140 ( 13.156 -0.091 2.340) 13.363 6.170 ( -9.068 -4.315 -2.194) 10.279 6.698 ( 19.787 3.138 -5.737) 20.840 7.855 ( -0.743 -2.664 5.432) 6.096 9.755 ( -3.944 6.337 0.852) 7.513 10.284 ( 0.099 7.430 9.475) 12.041 11.532 ( -2.063 -13.434 -9.335) 16.489 ======================= Grid point 85 (28/150) ======================= q-point: ( 0.22 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.157 ( 8.542 -25.087 -0.108) 26.502 1.385 ( 31.877 -10.060 5.266) 33.839 1.987 ( 8.470 -28.374 20.816) 36.195 3.079 ( 0.927 0.426 -4.709) 4.818 3.293 ( -3.635 1.258 5.489) 6.703 3.401 ( 4.894 10.445 -10.219) 15.410 3.586 ( 3.383 0.369 1.605) 3.763 3.767 ( -1.372 1.702 -1.546) 2.677 3.881 ( 4.352 5.494 1.889) 7.259 4.039 ( -5.865 3.030 -0.909) 6.664 4.285 ( 1.306 -5.726 -5.134) 7.801 4.357 ( -1.116 -4.782 -10.125) 11.253 4.697 ( -2.131 -4.541 -1.818) 5.336 4.891 ( 0.760 -7.060 0.808) 7.147 5.051 ( 0.693 1.958 1.269) 2.434 5.262 ( -17.384 1.328 0.896) 17.457 5.696 ( -3.008 4.446 -1.617) 5.606 6.065 ( -12.435 -2.335 -3.390) 13.099 6.349 ( 11.841 -2.156 0.189) 12.037 6.856 ( 16.008 6.310 -5.865) 18.179 7.877 ( -1.517 -1.570 7.759) 8.060 9.632 ( -1.905 3.368 7.422) 8.371 10.204 ( 0.304 3.527 2.160) 4.147 11.673 ( -3.500 -8.599 -9.111) 13.008 ======================= Grid point 86 (29/150) ======================= q-point: ( 0.33 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.658 ( 6.854 -23.089 -4.521) 24.506 1.899 ( 22.206 -9.072 4.145) 24.343 2.456 ( 7.447 -15.184 5.708) 17.849 3.074 ( 0.214 1.023 -2.213) 2.447 3.223 ( -2.184 2.373 -0.318) 3.240 3.299 ( 1.970 6.856 -5.255) 8.860 3.580 ( -1.355 3.199 1.956) 3.987 3.702 ( 0.670 5.999 6.188) 8.644 3.834 ( -1.055 0.880 -3.009) 3.308 4.001 ( 4.398 -0.920 0.788) 4.561 4.356 ( -2.385 -4.737 -5.635) 7.738 4.487 ( 4.169 -2.953 -10.138) 11.352 4.740 ( -1.883 -7.532 -0.971) 7.825 4.861 ( -13.290 6.745 5.028) 15.729 5.035 ( 1.523 -6.852 -3.089) 7.669 5.187 ( 2.217 -1.995 1.616) 3.392 5.570 ( -4.356 5.423 -5.016) 8.576 5.908 ( -12.210 1.782 0.003) 12.339 6.518 ( 7.019 -3.454 -1.243) 7.921 6.911 ( 9.577 6.889 -3.378) 12.272 7.871 ( -1.474 -0.405 9.508) 9.630 9.588 ( -0.425 0.774 4.858) 4.938 10.163 ( 0.008 1.948 -0.654) 2.055 11.737 ( -2.643 -4.639 -7.222) 8.982 ======================= Grid point 87 (30/150) ======================= q-point: ( 0.44 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.040 ( 3.426 -13.744 -0.840) 14.189 2.189 ( 7.085 -1.288 0.250) 7.205 2.660 ( 3.953 -2.140 -7.458) 8.708 3.055 ( -0.487 0.757 -1.084) 1.409 3.193 ( 3.164 1.347 -2.840) 4.460 3.234 ( -2.412 0.854 -1.806) 3.131 3.448 ( -3.033 5.958 5.036) 8.370 3.663 ( -0.324 -0.423 7.634) 7.653 3.825 ( -0.519 -0.356 -6.932) 6.961 4.166 ( 12.952 -3.909 3.060) 13.871 4.407 ( -2.272 -4.258 -6.351) 7.977 4.465 ( -6.325 1.855 -1.055) 6.675 4.538 ( -10.843 6.207 5.568) 13.679 4.974 ( 7.505 -6.775 -7.075) 12.340 5.129 ( 4.166 -0.928 -4.339) 6.086 5.285 ( 1.180 -4.846 -2.382) 5.527 5.408 ( -5.753 5.438 -4.397) 9.055 5.727 ( -6.758 3.073 5.842) 9.447 6.631 ( 2.203 -2.476 -2.521) 4.164 6.900 ( 3.245 3.789 -1.170) 5.124 7.860 ( -0.601 -0.045 9.789) 9.807 9.581 ( -0.034 0.062 2.727) 2.728 10.141 ( -0.033 0.690 -1.400) 1.561 11.763 ( -0.957 -1.504 -6.485) 6.726 ======================= Grid point 93 (31/150) ======================= q-point: ( 0.11 0.11 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.860 ( 12.700 -0.000 26.878) 29.727 1.016 ( 14.932 -0.000 30.908) 34.325 1.353 ( 39.113 -0.000 11.440) 40.752 3.084 ( 1.607 -0.000 -6.877) 7.062 3.324 ( -4.331 0.000 5.033) 6.640 3.583 ( 3.886 -0.000 3.281) 5.086 3.664 ( 8.348 -0.000 -6.606) 10.646 3.848 ( -8.311 0.000 0.924) 8.362 3.858 ( 1.885 -0.000 -7.310) 7.549 4.034 ( 1.022 -0.000 -9.502) 9.556 4.273 ( -3.061 0.000 -0.050) 3.062 4.342 ( 4.481 -0.000 -2.528) 5.145 4.477 ( -5.440 0.000 6.821) 8.725 4.742 ( 2.760 -0.000 0.887) 2.899 5.097 ( 3.622 -0.000 1.260) 3.835 5.283 ( -19.383 0.000 1.811) 19.468 5.790 ( -1.355 0.000 1.127) 1.763 5.956 ( -14.265 0.000 -4.147) 14.855 6.324 ( 12.161 -0.000 1.979) 12.321 7.011 ( 20.365 -0.000 -18.365) 27.422 7.817 ( -1.105 0.000 4.935) 5.057 9.727 ( -7.023 0.000 -0.367) 7.032 10.360 ( -1.240 0.000 10.909) 10.979 11.382 ( 0.030 -0.000 -0.891) 0.891 ======================= Grid point 94 (32/150) ======================= q-point: ( 0.22 0.11 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.026 ( 15.065 -7.228 12.668) 20.968 1.468 ( 13.313 -21.320 23.621) 34.493 1.908 ( 32.034 -8.231 6.887) 33.784 3.098 ( 0.912 0.412 -4.811) 4.914 3.246 ( -6.175 0.796 6.129) 8.737 3.571 ( -5.159 0.492 -2.074) 5.582 3.689 ( 9.682 10.852 -8.870) 17.035 3.743 ( -3.024 -0.064 -0.720) 3.109 3.983 ( 7.507 -1.718 -0.263) 7.706 4.099 ( 4.166 3.391 -4.302) 6.882 4.209 ( -4.126 -0.951 -0.958) 4.341 4.290 ( -1.380 -2.182 -3.640) 4.462 4.522 ( -4.778 -7.650 -2.764) 9.433 4.815 ( 2.119 -3.602 3.357) 5.361 5.045 ( -9.374 3.263 4.930) 11.082 5.161 ( 1.478 -1.858 0.416) 2.410 5.711 ( -6.473 3.459 -3.974) 8.346 5.839 ( -10.461 -4.692 -1.244) 11.533 6.452 ( 7.103 -0.421 1.314) 7.236 7.168 ( 12.957 6.766 -16.467) 22.018 7.821 ( -1.732 -2.155 5.189) 5.880 9.632 ( -4.221 1.412 4.479) 6.315 10.291 ( 0.393 5.639 7.794) 9.628 11.474 ( -1.854 -9.470 -3.537) 10.278 ======================= Grid point 95 (33/150) ======================= q-point: ( 0.33 0.11 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.428 ( 12.006 -18.011 -0.584) 21.654 1.946 ( 11.943 -16.059 14.553) 24.744 2.386 ( 17.602 -9.422 4.589) 20.486 3.086 ( -1.230 1.150 -1.576) 2.307 3.161 ( -5.605 -0.563 3.426) 6.593 3.477 ( -4.000 2.283 -4.547) 6.472 3.580 ( -0.048 9.255 -4.252) 10.185 3.734 ( -2.173 -0.046 -1.621) 2.711 3.871 ( -9.478 8.949 1.425) 13.113 4.117 ( 13.372 -0.509 -1.752) 13.496 4.262 ( -2.340 -3.650 -1.714) 4.663 4.492 ( 9.764 -8.696 -9.473) 16.146 4.525 ( -5.333 -1.280 1.684) 5.737 4.850 ( -3.199 -0.100 -0.237) 3.210 4.996 ( 5.266 -3.749 5.408) 8.428 5.223 ( 4.636 -0.401 0.328) 4.665 5.555 ( -9.855 2.372 -7.583) 12.659 5.777 ( -6.981 -0.828 2.108) 7.339 6.524 ( 1.460 -1.723 0.664) 2.354 7.156 ( 6.006 9.120 -10.121) 14.889 7.829 ( -2.026 -1.772 6.837) 7.348 9.584 ( -1.579 0.146 3.932) 4.240 10.214 ( 0.392 4.337 3.522) 5.601 11.594 ( -2.270 -8.400 -4.713) 9.896 ======================= Grid point 96 (34/150) ======================= q-point: ( 0.44 0.11 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.855 ( 8.299 -16.848 -3.338) 19.076 2.246 ( 6.660 -3.967 5.228) 9.350 2.617 ( -0.244 -4.710 0.074) 4.717 3.042 ( -2.967 -0.424 0.844) 3.114 3.129 ( -3.272 -1.688 -0.075) 3.683 3.379 ( 0.792 8.953 -4.922) 10.247 3.441 ( -6.345 1.773 1.624) 6.785 3.581 ( -9.023 0.225 3.634) 9.730 3.793 ( -0.899 -2.111 -5.550) 6.006 4.286 ( -3.531 -4.313 -1.149) 5.691 4.325 ( 7.884 -0.666 -4.137) 8.928 4.455 ( 8.210 3.702 6.033) 10.840 4.598 ( 1.623 4.714 0.398) 5.001 4.941 ( 4.843 -7.816 -8.169) 12.300 5.144 ( 2.529 -2.595 -2.469) 4.385 5.293 ( 5.588 0.194 1.905) 5.907 5.407 ( -3.515 1.838 -7.182) 8.205 5.699 ( -2.713 1.035 5.291) 6.035 6.549 ( -4.290 -3.626 -0.201) 5.620 7.045 ( 0.132 8.906 -5.283) 10.356 7.833 ( -1.363 -1.597 8.255) 8.518 9.575 ( -0.543 -0.405 2.366) 2.462 10.160 ( -0.262 2.363 0.743) 2.491 11.688 ( -1.022 -5.909 -5.330) 8.023 ======================= Grid point 97 (35/150) ======================= q-point: (-0.44 0.11 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.109 ( -0.769 -2.724 0.308) 2.847 2.186 ( -6.379 9.317 2.426) 11.550 2.599 ( -4.909 -1.314 -9.543) 10.812 3.029 ( -2.886 -1.602 0.280) 3.313 3.105 ( -3.273 -1.214 -3.837) 5.188 3.319 ( 3.343 2.841 -0.913) 4.481 3.350 ( -2.664 -3.109 5.055) 6.505 3.572 ( -5.783 -6.219 3.821) 9.312 3.819 ( -0.037 -1.490 -6.379) 6.551 4.195 ( -1.341 8.622 6.266) 10.743 4.376 ( -1.150 -6.107 -3.271) 7.022 4.520 ( 0.855 5.074 -2.661) 5.793 4.679 ( 12.119 -2.743 0.599) 12.440 5.026 ( 0.981 6.039 -5.149) 7.997 5.104 ( 2.042 -0.611 -5.395) 5.801 5.365 ( 0.735 1.192 2.220) 2.625 5.397 ( 3.482 0.208 -5.630) 6.624 5.780 ( 11.321 -4.599 4.077) 12.882 6.522 ( -9.946 -3.870 -1.311) 10.753 6.889 ( -4.591 6.168 -1.933) 7.928 7.849 ( -0.212 -1.630 9.557) 9.698 9.577 ( -0.257 -0.296 2.103) 2.139 10.133 ( -0.485 0.302 -1.048) 1.194 11.759 ( 0.557 -3.139 -6.212) 6.982 ======================= Grid point 98 (36/150) ======================= q-point: (-0.33 0.11 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.748 ( -22.521 13.695 3.857) 26.638 1.980 ( -2.283 18.568 -0.918) 18.730 2.569 ( -0.778 4.403 -5.883) 7.389 3.031 ( -2.257 -3.624 -3.648) 5.616 3.111 ( -1.734 -3.414 -6.396) 7.455 3.318 ( 2.801 1.179 3.788) 4.856 3.462 ( -0.902 -9.065 6.885) 11.419 3.579 ( -5.585 -4.012 3.702) 7.810 3.839 ( 0.373 -0.666 -6.146) 6.193 4.071 ( 3.977 7.161 4.653) 9.421 4.448 ( 1.283 0.798 -8.382) 8.517 4.474 ( -0.691 0.542 -5.153) 5.227 4.649 ( -10.500 -0.881 1.572) 10.653 5.043 ( 4.470 3.283 -4.867) 7.379 5.221 ( 15.722 5.589 -0.727) 16.702 5.243 ( 3.378 4.197 -0.403) 5.403 5.520 ( 3.036 -6.196 -0.912) 6.960 6.026 ( 13.357 -3.613 0.081) 13.838 6.405 ( -14.076 -1.016 -1.942) 14.245 6.743 ( -8.850 1.149 -0.403) 8.933 7.877 ( 0.641 -1.333 10.893) 10.993 9.579 ( -0.130 -0.436 3.636) 3.664 10.138 ( -0.165 -1.233 -2.271) 2.589 11.802 ( 1.665 -0.193 -7.612) 7.795 ======================= Grid point 99 (37/150) ======================= q-point: (-0.22 0.11 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.206 ( -21.466 16.373 7.246) 27.953 1.558 ( -2.623 27.982 -4.564) 28.473 2.348 ( -1.552 21.004 9.433) 23.077 3.059 ( -0.532 -1.165 -3.770) 3.981 3.186 ( -1.855 -8.630 -11.234) 14.287 3.335 ( 1.689 0.438 7.605) 7.802 3.524 ( -3.049 -1.505 2.167) 4.032 3.637 ( -1.949 -9.785 6.188) 11.740 3.844 ( 0.274 0.543 -4.352) 4.394 4.085 ( 5.468 -0.389 -1.779) 5.763 4.352 ( -3.678 6.700 -6.529) 10.052 4.442 ( 2.516 1.938 -10.173) 10.657 4.665 ( -2.672 -6.812 0.539) 7.338 4.995 ( 0.600 5.246 -5.368) 7.530 5.072 ( -1.904 7.576 2.663) 8.253 5.494 ( 15.660 -0.992 -4.565) 16.341 5.677 ( 9.414 -4.548 2.699) 10.798 6.132 ( -11.695 -0.713 1.053) 11.764 6.291 ( 6.351 0.949 -2.933) 7.059 6.605 ( -13.046 -1.125 -0.333) 13.099 7.902 ( 0.720 -0.351 10.824) 10.854 9.596 ( 0.167 -2.039 6.938) 7.233 10.164 ( 0.072 -1.865 -2.452) 3.082 11.803 ( 1.766 3.051 -10.185) 10.778 ======================= Grid point 100 (38/150) ======================= q-point: (-0.11 0.11 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.751 ( -0.000 17.794 11.089) 20.966 1.053 ( -0.000 30.144 -0.217) 30.145 1.890 ( -0.000 32.250 23.484) 39.895 3.061 ( -0.000 0.121 -6.178) 6.179 3.322 ( 0.000 -9.163 -9.836) 13.442 3.349 ( 0.000 -0.814 7.129) 7.176 3.512 ( 0.000 -0.286 3.024) 3.037 3.779 ( 0.000 -8.444 0.396) 8.453 3.837 ( 0.000 -0.095 -1.201) 1.205 4.163 ( 0.000 -3.162 -5.113) 6.011 4.231 ( -0.000 4.708 -6.356) 7.910 4.433 ( -0.000 2.975 -11.184) 11.573 4.692 ( -0.000 2.835 -0.703) 2.921 4.919 ( -0.000 5.615 -9.798) 11.293 4.971 ( -0.000 0.941 7.916) 7.972 5.622 ( 0.000 -2.504 -7.084) 7.514 5.905 ( 0.000 -1.469 4.520) 4.752 5.924 ( 0.000 -0.541 2.971) 3.020 6.357 ( -0.000 5.262 -1.585) 5.496 6.493 ( 0.000 -2.894 -0.167) 2.899 7.898 ( -0.000 1.540 8.188) 8.332 9.662 ( 0.000 -5.995 8.831) 10.674 10.200 ( 0.000 -2.984 0.845) 3.102 11.731 ( -0.000 8.001 -13.622) 15.798 ======================= Grid point 103 (39/150) ======================= q-point: ( 0.22 0.22 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.244 ( 15.896 -0.000 18.251) 24.203 1.383 ( 14.229 -0.000 26.435) 30.021 2.257 ( 26.945 -0.000 1.017) 26.964 3.112 ( 0.517 -0.000 -4.148) 4.180 3.157 ( -8.462 0.000 6.214) 10.499 3.457 ( -11.086 0.000 0.724) 11.110 3.698 ( -2.708 0.000 -1.083) 2.916 3.987 ( 12.637 -0.000 -12.481) 17.761 4.034 ( -6.590 0.000 -2.682) 7.115 4.121 ( -11.140 0.000 -2.857) 11.500 4.168 ( -3.655 0.000 -0.659) 3.714 4.194 ( 15.854 -0.000 -5.100) 16.654 4.511 ( 10.746 -0.000 2.950) 11.144 4.825 ( 1.571 -0.000 -0.526) 1.657 4.995 ( -0.811 0.000 9.061) 9.097 5.155 ( 0.137 -0.000 -0.002) 0.138 5.569 ( -13.824 0.000 -1.944) 13.960 5.757 ( -1.313 0.000 -1.128) 1.731 6.509 ( 1.978 -0.000 1.348) 2.394 7.348 ( 5.240 -0.000 -18.880) 19.594 7.779 ( -1.735 0.000 4.635) 4.949 9.587 ( -3.571 0.000 2.902) 4.602 10.346 ( -0.032 0.000 8.432) 8.432 11.379 ( -0.273 0.000 -0.904) 0.945 ======================= Grid point 104 (40/150) ======================= q-point: ( 0.33 0.22 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.427 ( 15.319 -3.791 8.983) 18.159 1.779 ( 11.468 -18.826 22.005) 31.147 2.544 ( 15.140 -0.208 -0.318) 15.144 3.036 ( -8.685 0.241 4.932) 9.990 3.114 ( -0.739 0.032 -2.934) 3.026 3.319 ( -13.068 -3.401 2.012) 13.653 3.683 ( -1.366 -0.740 -2.736) 3.146 3.702 ( -17.771 8.025 5.179) 20.175 3.937 ( 0.612 11.799 -13.783) 18.154 4.117 ( -6.699 -4.514 0.098) 8.079 4.265 ( 10.947 -3.505 -10.555) 15.605 4.509 ( 15.318 -8.461 -3.822) 17.912 4.646 ( 13.960 6.191 4.191) 15.836 4.823 ( -0.157 0.679 0.350) 0.780 5.023 ( 4.576 -0.973 7.823) 9.115 5.223 ( 1.664 -7.791 -2.578) 8.373 5.426 ( -7.184 1.074 0.304) 7.270 5.733 ( -1.695 0.862 -1.091) 2.192 6.500 ( -3.280 -0.014 1.324) 3.537 7.316 ( -1.466 5.925 -13.933) 15.211 7.772 ( -1.954 -1.692 5.064) 5.686 9.555 ( -1.929 -0.559 1.520) 2.519 10.301 ( 0.371 4.883 6.540) 8.171 11.439 ( -0.959 -7.079 -1.846) 7.379 ======================= Grid point 105 (41/150) ======================= q-point: ( 0.44 0.22 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.746 ( 12.016 -11.963 0.437) 16.962 2.189 ( 7.873 -14.363 14.201) 21.678 2.577 ( -5.178 5.107 0.049) 7.273 2.951 ( -6.656 -2.128 4.544) 8.335 3.092 ( -2.062 0.041 -3.050) 3.682 3.278 ( -8.033 -8.677 3.891) 12.448 3.381 ( -11.490 5.259 5.071) 13.616 3.664 ( 0.634 6.814 -8.219) 10.695 3.772 ( 0.216 4.941 -7.345) 8.855 4.113 ( -6.717 -6.165 1.013) 9.173 4.413 ( 4.603 -0.296 -10.709) 11.660 4.688 ( 9.501 5.688 3.860) 11.727 4.728 ( 6.454 4.822 2.945) 8.578 4.857 ( 4.158 -8.404 -6.194) 11.238 5.142 ( 5.480 -3.296 2.304) 6.797 5.326 ( -3.027 -0.072 3.046) 4.295 5.452 ( 14.473 -2.397 -5.255) 15.583 5.697 ( 0.453 0.548 1.749) 1.887 6.431 ( -8.340 -0.842 1.132) 8.458 7.146 ( -6.677 7.860 -8.626) 13.445 7.780 ( -1.558 -2.246 6.301) 6.868 9.552 ( -0.933 -1.137 0.556) 1.572 10.219 ( -0.051 5.054 3.964) 6.423 11.557 ( -0.715 -8.358 -3.261) 9.000 ======================= Grid point 106 (42/150) ======================= q-point: (-0.44 0.22 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.055 ( 5.494 -7.518 -0.517) 9.325 2.222 ( -10.777 10.139 4.624) 15.503 2.503 ( 0.023 -7.170 0.449) 7.184 2.911 ( -6.996 -3.839 1.903) 8.204 3.074 ( -0.778 -0.336 -2.740) 2.868 3.249 ( -3.563 -2.106 6.160) 7.421 3.368 ( -3.344 -7.925 1.786) 8.785 3.498 ( 1.049 10.876 -7.084) 13.022 3.780 ( -0.307 -2.570 -4.914) 5.554 4.159 ( -3.830 -8.117 2.207) 9.242 4.405 ( 2.775 5.586 -4.833) 7.891 4.625 ( 0.751 6.768 1.597) 6.994 4.722 ( -2.411 2.624 -2.715) 4.480 5.034 ( 2.260 -5.465 -6.491) 8.782 5.290 ( 17.664 1.280 -0.907) 17.733 5.337 ( 1.322 -2.793 6.697) 7.376 5.508 ( 1.781 6.701 -5.374) 8.772 5.877 ( 16.576 -5.422 1.416) 17.498 6.316 ( -13.303 -2.202 0.566) 13.495 6.909 ( -10.190 7.214 -4.490) 13.268 7.807 ( -0.613 -2.698 7.912) 8.382 9.562 ( -0.429 -0.998 0.726) 1.307 10.149 ( -0.517 2.792 1.357) 3.147 11.680 ( 0.153 -6.952 -4.801) 8.450 ======================= Grid point 107 (43/150) ======================= q-point: (-0.33 0.22 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.764 ( -12.907 17.092 5.491) 22.111 2.183 ( 0.877 5.868 4.425) 7.402 2.595 ( 2.307 -1.846 -10.733) 11.133 2.908 ( -4.052 -5.375 -4.949) 8.354 3.077 ( -0.308 -0.561 -2.385) 2.469 3.311 ( -0.613 -7.567 7.890) 10.949 3.381 ( 1.386 3.698 -0.218) 3.955 3.443 ( -3.204 -5.043 1.768) 6.231 3.817 ( -0.049 -2.126 -5.979) 6.346 4.255 ( 4.122 0.761 4.022) 5.809 4.348 ( -1.323 -1.594 -0.978) 2.290 4.538 ( 0.117 4.572 -4.986) 6.766 4.575 ( -6.641 5.427 -1.509) 8.708 5.099 ( 0.996 -0.078 -5.789) 5.874 5.356 ( 0.278 7.222 -3.615) 8.081 5.426 ( 0.822 -3.428 0.451) 3.554 5.579 ( 22.957 -0.001 1.909) 23.036 6.100 ( -6.088 -0.849 0.369) 6.158 6.209 ( 2.215 -4.847 -0.363) 5.342 6.672 ( -10.766 4.764 -2.046) 11.949 7.848 ( 0.045 -2.644 10.047) 10.389 9.570 ( -0.158 -0.491 1.923) 1.991 10.121 ( -0.319 -0.037 -1.098) 1.144 11.778 ( 0.568 -4.303 -6.483) 7.801 ======================= Grid point 108 (44/150) ======================= q-point: (-0.22 0.22 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.367 ( -0.000 19.311 7.630) 20.764 1.953 ( -0.000 21.090 -1.304) 21.130 2.574 ( -0.000 7.444 -4.178) 8.537 2.991 ( 0.000 -6.824 -7.260) 9.964 3.088 ( 0.000 -1.754 -5.418) 5.694 3.361 ( -0.000 1.018 6.039) 6.125 3.445 ( 0.000 -8.032 6.445) 10.298 3.488 ( 0.000 -4.412 3.395) 5.567 3.843 ( 0.000 -0.962 -6.043) 6.119 4.175 ( -0.000 6.993 1.597) 7.173 4.426 ( -0.000 6.026 -5.105) 7.898 4.486 ( 0.000 -11.177 2.285) 11.408 4.490 ( -0.000 2.467 -8.101) 8.469 5.072 ( -0.000 3.622 -4.892) 6.088 5.208 ( -0.000 9.549 -1.257) 9.631 5.510 ( 0.000 -4.653 -3.232) 5.665 5.873 ( -0.000 0.246 2.041) 2.055 5.889 ( 0.000 -1.811 0.715) 1.947 6.370 ( 0.000 -4.388 0.136) 4.390 6.504 ( -0.000 4.121 -1.909) 4.541 7.887 ( 0.000 -1.881 11.593) 11.745 9.577 ( 0.000 -0.593 4.091) 4.133 10.135 ( 0.000 -1.597 -2.820) 3.241 11.827 ( 0.000 -1.073 -8.394) 8.462 ======================= Grid point 113 (45/150) ======================= q-point: ( 0.33 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.639 ( 14.072 -0.000 13.451) 19.466 1.734 ( 12.541 -0.000 20.543) 24.068 2.718 ( 9.602 -0.000 -1.633) 9.740 2.917 ( -8.919 0.000 5.723) 10.597 3.043 ( -16.112 0.000 1.315) 16.165 3.135 ( -3.192 0.000 -0.045) 3.192 3.520 ( -17.501 0.000 6.459) 18.655 3.659 ( -0.700 0.000 -1.727) 1.864 3.970 ( -6.496 0.000 0.317) 6.504 4.140 ( 2.157 -0.000 -16.760) 16.898 4.278 ( 4.686 -0.000 -16.392) 17.049 4.625 ( 11.340 -0.000 2.531) 11.619 4.853 ( 3.561 -0.000 -0.062) 3.562 4.931 ( 6.794 -0.000 2.584) 7.269 5.053 ( 2.448 -0.000 4.320) 4.965 5.141 ( 10.206 -0.000 6.764) 12.244 5.454 ( 8.471 -0.000 -0.324) 8.478 5.726 ( -0.913 0.000 -2.973) 3.110 6.430 ( -7.774 0.000 1.581) 7.933 7.295 ( -8.766 0.000 -12.928) 15.620 7.735 ( -1.523 0.000 4.784) 5.020 9.528 ( -1.360 0.000 -0.624) 1.496 10.351 ( 0.302 -0.000 6.901) 6.908 11.368 ( -0.556 0.000 -0.769) 0.949 ======================= Grid point 114 (46/150) ======================= q-point: ( 0.44 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.786 ( 11.796 -2.359 7.574) 14.215 2.047 ( 8.700 -14.429 17.734) 24.462 2.620 ( -9.609 10.595 1.258) 14.359 2.821 ( -9.091 -1.517 6.703) 11.396 2.985 ( -3.024 -8.815 0.218) 9.322 3.126 ( -1.076 -1.500 -0.423) 1.894 3.307 ( -10.039 2.783 5.827) 11.936 3.666 ( -0.282 -1.477 -2.130) 2.607 3.919 ( -4.660 -2.063 -0.935) 5.181 4.009 ( 0.231 11.769 -12.105) 16.885 4.413 ( 2.354 -5.400 -16.660) 17.671 4.749 ( 1.261 -3.563 -1.697) 4.143 4.834 ( -4.322 2.632 -2.337) 5.574 4.886 ( 6.232 3.414 7.225) 10.134 5.192 ( 7.397 -2.786 11.064) 13.597 5.328 ( 10.210 -2.406 1.231) 10.562 5.652 ( 14.273 1.822 -4.934) 15.211 5.729 ( 8.395 -1.907 -0.716) 8.638 6.301 ( -11.430 0.456 1.669) 11.560 7.113 ( -13.267 4.018 -9.751) 16.948 7.730 ( -1.128 -1.508 5.300) 5.625 9.522 ( -0.771 -0.953 -1.652) 2.058 10.308 ( 0.150 5.065 5.910) 7.785 11.421 ( -0.472 -6.714 -1.382) 6.871 ======================= Grid point 115 (47/150) ======================= q-point: ( 0.56 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.007 ( 6.913 -8.260 2.302) 11.014 2.279 ( -8.325 12.569 4.926) 15.860 2.359 ( 2.081 -11.862 10.104) 15.720 2.762 ( -5.839 -3.443 4.254) 8.003 3.050 ( -0.886 -1.806 -1.566) 2.550 3.181 ( -1.224 -3.399 4.093) 5.460 3.212 ( -2.590 -4.570 2.630) 5.874 3.677 ( 0.216 3.111 -5.722) 6.517 3.787 ( 0.571 9.334 -8.664) 12.748 3.972 ( -3.415 -7.822 2.238) 8.824 4.478 ( 1.350 -0.221 -13.674) 13.742 4.700 ( -2.768 3.944 -3.052) 5.704 4.787 ( 0.522 5.597 3.100) 6.419 4.955 ( 1.592 -5.889 0.603) 6.130 5.293 ( 1.150 -3.385 10.381) 10.980 5.501 ( 9.944 0.187 -5.646) 11.437 5.657 ( 7.457 3.757 -0.241) 8.353 6.032 ( 18.153 -3.923 -1.138) 18.607 6.124 ( -13.993 1.052 1.440) 14.106 6.856 ( -13.055 5.456 -6.601) 15.614 7.754 ( -0.473 -2.641 6.311) 6.858 9.536 ( -0.336 -1.457 -1.243) 1.944 10.215 ( -0.154 5.653 4.121) 6.997 11.549 ( -0.073 -8.800 -2.908) 9.268 ======================= Grid point 116 (48/150) ======================= q-point: (-0.33 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.962 ( -0.000 16.743 5.601) 17.655 2.183 ( 0.000 -5.998 3.693) 7.044 2.543 ( 0.000 -7.450 -1.169) 7.542 2.790 ( 0.000 -4.772 -1.475) 4.995 3.066 ( 0.000 -0.891 -1.041) 1.371 3.208 ( 0.000 -4.098 6.630) 7.794 3.322 ( 0.000 -7.185 1.338) 7.308 3.515 ( -0.000 11.187 -6.724) 13.052 3.776 ( 0.000 -2.581 -4.687) 5.351 4.106 ( 0.000 -10.874 2.698) 11.204 4.461 ( -0.000 4.466 -9.385) 10.393 4.606 ( -0.000 4.947 -3.145) 5.862 4.658 ( -0.000 8.829 5.331) 10.314 5.064 ( 0.000 -5.004 -5.271) 7.268 5.356 ( 0.000 -3.932 7.044) 8.067 5.477 ( -0.000 6.263 -6.667) 9.148 5.803 ( 0.000 -3.138 1.192) 3.357 5.935 ( -0.000 3.345 1.050) 3.506 6.229 ( 0.000 -3.926 -0.464) 3.953 6.662 ( -0.000 5.582 -4.200) 6.986 7.799 ( 0.000 -3.117 8.033) 8.616 9.556 ( 0.000 -1.166 0.202) 1.183 10.141 ( -0.000 2.958 1.529) 3.330 11.684 ( 0.000 -7.437 -4.753) 8.826 ======================= Grid point 123 (49/150) ======================= q-point: ( 0.44 0.44 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.924 ( 6.640 -0.000 11.190) 13.012 2.001 ( 6.911 -0.000 16.971) 18.324 2.616 ( -10.849 0.000 8.073) 13.523 2.665 ( -5.961 0.000 4.347) 7.377 2.901 ( 2.328 -0.000 -0.413) 2.364 3.103 ( -1.457 0.000 -1.534) 2.116 3.225 ( -5.212 0.000 6.151) 8.063 3.651 ( -0.072 0.000 -1.253) 1.255 3.825 ( -3.555 0.000 1.455) 3.841 4.181 ( 0.876 -0.000 -17.440) 17.462 4.345 ( 1.086 -0.000 -16.395) 16.431 4.727 ( 0.522 -0.000 -0.559) 0.765 4.785 ( -4.311 0.000 -3.530) 5.572 4.982 ( 3.105 -0.000 10.310) 10.767 5.219 ( 1.952 -0.000 12.605) 12.756 5.474 ( 11.558 -0.000 -2.252) 11.776 5.729 ( 2.028 -0.000 -1.688) 2.639 5.964 ( 21.157 -0.000 -3.000) 21.369 6.154 ( -11.477 0.000 1.838) 11.623 6.955 ( -14.463 0.000 -9.297) 17.194 7.707 ( -0.586 0.000 5.229) 5.262 9.506 ( -0.378 0.000 -2.953) 2.977 10.357 ( 0.156 -0.000 6.271) 6.273 11.355 ( -0.300 0.000 -0.603) 0.673 ======================= Grid point 124 (50/150) ======================= q-point: (-0.44 -0.56 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.964 ( 0.000 -2.487 7.268) 7.682 2.175 ( 0.000 -11.825 15.622) 19.592 2.424 ( -0.000 11.192 5.672) 12.547 2.667 ( 0.000 -3.169 6.504) 7.235 2.982 ( 0.000 -5.915 -0.538) 5.939 3.102 ( 0.000 -2.240 -0.193) 2.249 3.185 ( -0.000 0.849 5.105) 5.175 3.664 ( 0.000 -1.491 -1.753) 2.301 3.841 ( 0.000 -4.745 1.889) 5.107 4.020 ( -0.000 14.610 -14.339) 20.471 4.440 ( 0.000 -5.338 -17.155) 17.966 4.735 ( -0.000 2.531 -3.318) 4.174 4.776 ( 0.000 -4.872 -2.930) 5.685 4.965 ( -0.000 3.599 11.677) 12.219 5.253 ( 0.000 -2.425 11.726) 11.974 5.562 ( 0.000 -0.599 -6.629) 6.657 5.752 ( -0.000 0.345 1.731) 1.765 6.041 ( -0.000 2.214 1.649) 2.761 6.137 ( 0.000 -1.523 -2.304) 2.762 6.816 ( -0.000 2.927 -8.368) 8.865 7.716 ( 0.000 -1.560 5.521) 5.737 9.512 ( 0.000 -0.986 -2.756) 2.927 10.310 ( -0.000 5.314 5.738) 7.821 11.414 ( 0.000 -6.859 -1.257) 6.974 ======================= Grid point 166 (51/150) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.754 ( 0.000 0.000 20.530) 20.530 1.322 ( 0.000 0.000 32.555) 32.555 1.790 ( 0.000 0.000 43.733) 43.733 2.849 ( 0.000 0.000 -12.006) 12.006 3.411 ( 0.000 0.000 0.463) 0.463 3.417 ( 0.000 0.000 -8.893) 8.893 3.532 ( 0.000 0.000 -15.736) 15.736 3.607 ( 0.000 0.000 4.728) 4.728 4.005 ( 0.000 0.000 -1.301) 1.301 4.067 ( 0.000 0.000 -0.664) 0.664 4.085 ( 0.000 0.000 -6.315) 6.315 4.348 ( 0.000 0.000 2.461) 2.461 4.607 ( 0.000 0.000 -7.231) 7.231 4.733 ( 0.000 0.000 9.940) 9.940 5.129 ( 0.000 0.000 5.004) 5.004 5.547 ( 0.000 0.000 -7.101) 7.101 6.024 ( 0.000 0.000 3.640) 3.640 6.042 ( 0.000 0.000 6.845) 6.845 6.220 ( 0.000 0.000 -1.401) 1.401 6.533 ( 0.000 0.000 -0.621) 0.621 7.979 ( 0.000 0.000 10.008) 10.008 9.594 ( 0.000 0.000 -14.049) 14.049 10.596 ( 0.000 0.000 10.468) 10.468 11.355 ( 0.000 0.000 -1.847) 1.847 ======================= Grid point 167 (52/150) ======================= q-point: ( 0.11 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.019 ( 25.739 -7.192 14.756) 30.528 1.239 ( 4.253 5.939 31.432) 32.270 2.049 ( 3.465 -21.194 35.067) 41.121 2.883 ( 2.608 -1.760 -10.960) 11.403 3.297 ( 2.447 10.814 -11.353) 15.868 3.422 ( -0.482 -1.545 1.349) 2.107 3.611 ( 1.158 0.053 1.622) 1.993 3.685 ( 4.536 -8.733 -8.395) 12.935 3.885 ( -5.904 5.887 0.774) 8.373 4.029 ( -3.660 -1.424 -4.849) 6.239 4.127 ( 4.802 4.258 -4.333) 7.743 4.315 ( -1.974 2.142 0.494) 2.954 4.637 ( -3.543 -5.552 -3.981) 7.696 4.775 ( 3.460 -2.283 5.255) 6.693 5.123 ( 1.015 1.546 4.517) 4.881 5.456 ( -10.329 1.862 -5.162) 11.696 5.868 ( -9.317 2.760 4.263) 10.612 6.138 ( -12.972 -3.302 -1.086) 13.429 6.211 ( 13.802 0.258 3.972) 14.365 6.637 ( 13.436 1.131 -2.076) 13.643 7.998 ( -0.940 -2.852 9.513) 9.975 9.591 ( -1.140 -0.530 -12.774) 12.836 10.511 ( -0.374 8.572 11.990) 14.743 11.416 ( -0.311 -6.379 -4.415) 7.764 ======================= Grid point 168 (53/150) ======================= q-point: ( 0.22 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.339 ( 6.585 -9.275 18.141) 21.413 1.520 ( 28.739 -8.765 8.994) 31.363 2.416 ( 4.221 -15.264 22.482) 27.500 2.954 ( 2.777 -2.037 -8.006) 8.715 3.169 ( 4.194 9.930 -10.244) 14.871 3.431 ( -2.751 -0.931 4.514) 5.367 3.624 ( 1.393 0.482 1.451) 2.069 3.722 ( -3.515 3.658 -2.352) 5.592 3.892 ( 7.810 -1.421 -1.372) 8.056 4.009 ( -2.849 -2.695 -4.064) 5.648 4.105 ( 3.503 2.209 -7.610) 8.664 4.248 ( -3.494 0.391 -2.528) 4.330 4.680 ( -4.377 -5.778 -1.315) 7.367 4.870 ( 3.789 -2.878 -0.646) 4.802 5.103 ( -1.363 1.602 2.018) 2.915 5.270 ( -11.348 1.811 -0.618) 11.509 5.690 ( -8.058 5.276 1.558) 9.757 6.030 ( -11.777 -3.089 -0.865) 12.206 6.375 ( 11.355 -0.273 2.252) 11.579 6.779 ( 11.997 2.423 -2.951) 12.589 8.035 ( -1.876 -3.510 9.083) 9.917 9.581 ( -1.654 -0.483 -10.003) 10.150 10.360 ( 0.174 8.856 11.875) 14.815 11.513 ( -1.034 -5.928 -7.553) 9.657 ======================= Grid point 169 (54/150) ======================= q-point: ( 0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.656 ( 6.322 -17.697 5.554) 19.596 1.991 ( 21.624 -7.554 5.759) 23.618 2.596 ( 2.691 -0.643 8.394) 8.838 3.008 ( 1.407 -1.200 -4.348) 4.725 3.100 ( 5.532 5.674 -5.985) 9.931 3.357 ( -6.154 1.981 4.905) 8.115 3.626 ( -0.479 1.773 2.439) 3.053 3.657 ( -0.647 0.725 -8.455) 8.511 3.870 ( 1.376 8.676 4.091) 9.690 4.046 ( 2.590 -4.623 2.864) 6.024 4.190 ( -0.665 -3.027 -12.220) 12.607 4.301 ( 5.719 -7.249 -6.191) 11.117 4.718 ( -3.361 -5.884 -1.314) 6.903 4.956 ( -8.973 -3.309 -2.068) 9.785 4.961 ( 0.948 6.030 1.515) 6.289 5.189 ( -1.013 0.076 -1.741) 2.016 5.510 ( -6.478 4.130 0.368) 7.691 5.927 ( -8.522 -0.345 1.534) 8.666 6.509 ( 7.175 -1.272 0.470) 7.302 6.859 ( 7.492 3.234 -2.289) 8.475 8.057 ( -2.066 -2.339 9.615) 10.109 9.566 ( -1.324 -0.111 -7.748) 7.861 10.244 ( 0.480 5.760 9.291) 10.942 11.575 ( -1.149 -3.540 -9.122) 9.852 ======================= Grid point 170 (55/150) ======================= q-point: ( 0.44 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.019 ( 4.386 -16.349 -0.116) 16.927 2.235 ( 4.754 2.431 4.708) 7.119 2.561 ( 2.938 5.019 -2.053) 6.168 3.023 ( -0.361 -0.006 -2.434) 2.460 3.145 ( 7.258 -0.495 -0.144) 7.276 3.250 ( -5.973 1.253 2.640) 6.650 3.547 ( -2.359 3.670 4.789) 6.478 3.644 ( -0.215 0.799 -10.657) 10.689 3.779 ( -0.302 1.855 3.196) 3.708 4.176 ( 6.430 -1.192 -5.401) 8.481 4.216 ( -3.472 -3.566 -9.927) 11.105 4.485 ( 5.304 -6.315 3.747) 9.059 4.709 ( -10.257 5.883 9.719) 15.307 4.811 ( 1.397 -4.220 -9.048) 10.081 5.030 ( 6.207 0.746 -5.859) 8.568 5.137 ( -6.437 0.966 -9.246) 11.307 5.430 ( -0.941 0.062 4.284) 4.387 5.835 ( -3.719 0.952 5.076) 6.365 6.592 ( 2.429 -0.969 -1.034) 2.812 6.879 ( 2.503 1.743 -1.105) 3.244 8.061 ( -0.924 -0.749 10.331) 10.399 9.554 ( -0.483 0.033 -6.833) 6.850 10.187 ( 0.231 1.947 7.234) 7.495 11.602 ( -0.489 -1.148 -9.761) 9.840 ======================= Grid point 176 (56/150) ======================= q-point: ( 0.11 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.360 ( 31.532 -0.000 10.729) 33.308 1.421 ( 7.348 -0.000 29.876) 30.767 1.909 ( 9.906 -0.000 38.519) 39.772 2.914 ( 3.950 -0.000 -10.338) 11.067 3.395 ( -1.531 0.000 2.025) 2.539 3.496 ( 6.007 -0.000 -10.527) 12.120 3.555 ( -0.497 0.000 -11.842) 11.853 3.711 ( 9.333 -0.000 0.666) 9.357 3.845 ( -9.159 0.000 -0.473) 9.171 3.953 ( -2.613 0.000 -1.390) 2.960 4.234 ( 3.364 -0.000 -4.074) 5.283 4.322 ( 0.018 -0.000 1.606) 1.606 4.522 ( -6.582 0.000 -2.311) 6.976 4.788 ( 2.193 -0.000 4.226) 4.761 5.154 ( 1.322 -0.000 3.228) 3.489 5.300 ( -13.796 0.000 -0.830) 13.821 5.822 ( -4.005 0.000 1.952) 4.455 5.917 ( -14.966 0.000 -0.620) 14.979 6.376 ( 10.980 -0.000 3.295) 11.463 6.827 ( 13.452 -0.000 -5.123) 14.395 7.958 ( -1.551 0.000 9.545) 9.671 9.564 ( -2.131 0.000 -12.481) 12.662 10.578 ( -1.191 0.000 10.944) 11.009 11.355 ( -0.039 0.000 -1.932) 1.932 ======================= Grid point 177 (57/150) ======================= q-point: ( 0.22 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.431 ( 10.346 5.793 26.298) 28.848 1.787 ( 25.460 -5.368 9.538) 27.713 2.238 ( 11.703 -15.436 26.373) 32.722 2.971 ( 3.172 -0.826 -8.116) 8.753 3.358 ( -3.305 1.880 2.772) 4.706 3.415 ( 3.026 7.994 -9.359) 12.675 3.611 ( -2.413 -0.486 -2.419) 3.451 3.725 ( -3.398 2.059 -1.146) 4.135 3.899 ( 2.164 -7.524 -11.335) 13.776 3.988 ( 11.296 -1.782 0.387) 11.442 4.211 ( -4.689 1.530 -0.476) 4.955 4.260 ( 1.867 8.530 0.100) 8.733 4.500 ( -5.602 -6.873 -0.529) 8.882 4.825 ( -1.413 -3.035 -0.839) 3.452 5.125 ( -2.372 3.119 1.727) 4.282 5.187 ( -2.886 -0.978 1.558) 3.422 5.670 ( -9.320 4.867 0.167) 10.516 5.835 ( -7.389 -4.407 0.254) 8.607 6.490 ( 6.723 0.074 2.595) 7.207 6.962 ( 9.728 2.164 -6.734) 12.028 7.957 ( -2.070 -2.529 8.900) 9.481 9.540 ( -2.517 -0.889 -10.708) 11.036 10.496 ( -0.655 7.223 11.663) 13.734 11.404 ( -0.564 -5.355 -3.745) 6.559 ======================= Grid point 178 (58/150) ======================= q-point: ( 0.33 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.571 ( 10.869 -5.752 14.874) 19.299 2.158 ( 17.556 -4.916 7.431) 19.688 2.569 ( 6.602 -8.481 14.069) 17.705 3.012 ( 1.359 -0.488 -5.240) 5.436 3.255 ( -4.093 3.466 2.466) 5.903 3.329 ( 0.850 6.352 -5.371) 8.362 3.574 ( -4.711 -2.255 1.394) 5.406 3.664 ( -1.546 1.781 -5.342) 5.839 3.943 ( -12.272 6.852 5.063) 14.939 4.031 ( 5.219 -3.669 -8.060) 10.279 4.210 ( 1.300 1.588 -3.614) 4.156 4.302 ( 13.282 -5.882 -5.303) 15.464 4.571 ( 1.326 -5.866 0.187) 6.017 4.837 ( -2.990 -1.399 -1.406) 3.588 5.074 ( 2.527 2.958 2.608) 4.683 5.177 ( -1.159 -0.056 -5.269) 5.395 5.494 ( -5.847 3.595 1.648) 7.058 5.811 ( -5.326 -2.608 1.630) 6.150 6.548 ( 1.727 -0.518 1.898) 2.618 7.003 ( 4.535 4.096 -5.891) 8.489 7.978 ( -2.214 -3.422 8.761) 9.662 9.529 ( -2.175 -1.438 -8.908) 9.282 10.363 ( 0.026 7.972 10.847) 13.461 11.486 ( -0.868 -5.497 -6.222) 8.347 ======================= Grid point 179 (59/150) ======================= q-point: ( 0.44 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.860 ( 9.096 -12.450 4.919) 16.184 2.350 ( 6.532 2.039 5.447) 8.746 2.642 ( -2.148 3.417 2.653) 4.830 3.022 ( 0.101 -0.058 -2.339) 2.341 3.171 ( -6.198 -0.594 4.082) 7.445 3.261 ( 4.765 4.761 -4.369) 8.029 3.526 ( -6.137 0.972 5.107) 8.043 3.646 ( -1.042 0.648 -9.325) 9.406 3.689 ( -11.879 -1.638 6.576) 13.676 4.147 ( 1.415 -2.490 -13.047) 13.358 4.234 ( 1.369 -2.026 -4.132) 4.801 4.519 ( 12.616 -2.242 3.477) 13.277 4.733 ( 5.785 -0.571 4.758) 7.513 4.769 ( -1.708 0.246 -5.649) 5.906 5.054 ( -2.637 1.939 -6.172) 6.986 5.182 ( 6.766 1.961 -8.622) 11.134 5.430 ( 0.314 0.263 5.259) 5.275 5.793 ( -1.747 -1.742 4.424) 5.065 6.553 ( -3.596 -1.673 0.889) 4.064 6.955 ( -0.508 4.689 -3.891) 6.114 8.010 ( -1.383 -3.370 9.648) 10.313 9.530 ( -1.298 -1.492 -7.654) 7.905 10.251 ( -0.056 5.676 8.800) 10.472 11.555 ( -0.326 -3.898 -8.150) 9.040 ======================= Grid point 180 (60/150) ======================= q-point: (-0.44 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.116 ( 0.342 -3.106 1.029) 3.289 2.270 ( 0.470 9.745 6.202) 11.561 2.458 ( -8.731 4.355 -3.574) 10.391 3.029 ( 0.110 -0.036 -2.903) 2.905 3.064 ( -8.043 1.532 2.655) 8.607 3.300 ( 4.507 -0.524 0.900) 4.626 3.473 ( -2.068 -4.598 6.346) 8.105 3.611 ( -3.871 -2.737 -5.058) 6.932 3.681 ( -3.222 -3.544 -2.890) 5.594 4.155 ( -0.566 1.439 -11.841) 11.941 4.280 ( 0.955 -1.556 -4.516) 4.872 4.572 ( -2.492 10.093 4.904) 11.494 4.709 ( 1.723 -4.790 2.429) 5.640 4.891 ( 4.610 -0.234 -7.788) 9.054 5.022 ( 9.747 2.019 -2.411) 10.242 5.234 ( 5.107 3.034 -8.538) 10.401 5.450 ( 2.222 -0.214 4.976) 5.454 5.864 ( 6.754 -3.426 4.216) 8.667 6.504 ( -8.857 -1.922 -0.155) 9.065 6.851 ( -4.924 3.282 -1.875) 6.208 8.052 ( 0.214 -2.678 10.679) 11.012 9.543 ( -0.314 -1.366 -6.779) 6.923 10.183 ( -0.436 2.101 7.225) 7.537 11.603 ( 0.505 -1.820 -9.555) 9.740 ======================= Grid point 181 (61/150) ======================= q-point: (-0.33 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.855 ( -15.413 13.398 6.916) 21.561 1.970 ( -5.238 21.237 1.252) 21.910 2.523 ( 1.544 -7.565 1.762) 7.920 2.962 ( -6.327 -2.043 -2.138) 6.984 3.019 ( -0.925 1.375 -4.062) 4.388 3.386 ( 4.423 -2.718 3.669) 6.357 3.554 ( -1.613 -5.146 3.550) 6.456 3.621 ( -2.038 -3.683 -4.573) 6.216 3.713 ( -2.375 -5.327 -2.129) 6.209 4.108 ( 0.579 3.732 -5.929) 7.030 4.277 ( -0.197 4.187 -10.067) 10.905 4.383 ( -0.524 9.002 0.983) 9.070 4.710 ( -6.441 -3.786 4.371) 8.656 4.924 ( 2.308 2.005 -6.843) 7.495 5.188 ( 6.367 5.736 -3.214) 9.153 5.222 ( 10.807 -0.658 -1.414) 10.919 5.534 ( 7.477 -3.464 3.138) 8.818 6.040 ( 11.459 -2.280 1.075) 11.733 6.384 ( -12.873 -0.763 0.013) 12.895 6.730 ( -9.025 0.626 -1.070) 9.110 8.093 ( 1.304 -0.809 10.844) 10.952 9.566 ( 0.401 -1.315 -6.492) 6.635 10.175 ( -0.557 -1.886 7.374) 7.632 11.623 ( 0.949 0.605 -10.320) 10.381 ======================= Grid point 182 (62/150) ======================= q-point: (-0.22 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.401 ( -16.505 15.019 12.602) 25.628 1.557 ( -2.498 21.916 6.012) 22.862 2.559 ( -0.378 5.201 12.039) 13.120 2.966 ( -1.286 2.351 -6.052) 6.618 2.984 ( -2.826 -7.068 -8.438) 11.364 3.467 ( 2.150 -0.741 3.944) 4.553 3.575 ( -2.327 -1.998 2.638) 4.045 3.694 ( 1.935 -4.765 -2.192) 5.590 3.773 ( -3.440 -5.626 0.137) 6.596 4.067 ( 1.992 2.844 -1.970) 3.992 4.143 ( -2.373 7.396 -13.662) 15.715 4.304 ( 2.450 3.374 -2.357) 4.790 4.723 ( -2.407 -4.162 4.672) 6.705 4.881 ( 0.116 4.910 -5.846) 7.635 5.117 ( -1.011 2.853 1.365) 3.320 5.391 ( 8.702 -1.175 -5.644) 10.438 5.746 ( 14.228 -4.138 4.405) 15.459 6.162 ( -7.804 -1.442 1.942) 8.170 6.259 ( 5.209 1.387 -0.777) 5.446 6.592 ( -12.671 -0.796 -1.200) 12.753 8.102 ( 1.070 1.878 10.013) 10.244 9.592 ( 0.594 -0.910 -7.831) 7.906 10.232 ( -0.321 -5.971 9.767) 11.452 11.603 ( 0.704 3.412 -10.170) 10.750 ======================= Grid point 183 (63/150) ======================= q-point: (-0.11 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.027 ( -0.000 14.530 16.743) 22.168 1.253 ( -0.000 11.393 19.743) 22.794 2.362 ( -0.000 17.542 24.420) 30.068 2.907 ( -0.000 2.975 -9.719) 10.164 3.111 ( 0.000 -9.927 -10.296) 14.302 3.460 ( -0.000 2.296 2.471) 3.373 3.586 ( 0.000 -1.305 3.716) 3.939 3.761 ( -0.000 1.917 -2.934) 3.505 3.826 ( 0.000 -5.842 0.423) 5.857 4.042 ( -0.000 1.608 -10.908) 11.025 4.069 ( 0.000 -0.648 -3.537) 3.595 4.305 ( 0.000 -0.745 -3.113) 3.201 4.756 ( 0.000 -0.770 5.664) 5.716 4.777 ( -0.000 7.050 -6.221) 9.402 5.094 ( 0.000 -0.659 4.628) 4.675 5.481 ( 0.000 -2.701 -7.355) 7.835 5.986 ( 0.000 -1.957 3.712) 4.197 6.006 ( 0.000 -2.111 5.352) 5.753 6.327 ( -0.000 4.828 -1.998) 5.225 6.487 ( 0.000 -2.754 -0.556) 2.809 8.061 ( -0.000 3.645 9.330) 10.017 9.604 ( -0.000 0.050 -10.741) 10.741 10.357 ( 0.000 -9.374 12.390) 15.536 11.528 ( -0.000 6.209 -8.355) 10.409 ======================= Grid point 186 (64/150) ======================= q-point: ( 0.22 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.671 ( 11.330 -0.000 24.505) 26.998 1.933 ( 13.404 -0.000 25.371) 28.694 2.341 ( 19.478 -0.000 10.807) 22.276 3.002 ( 2.425 -0.000 -7.014) 7.421 3.286 ( -7.542 0.000 6.544) 9.985 3.460 ( -7.593 0.000 -1.221) 7.691 3.620 ( -1.482 0.000 -9.023) 9.144 3.764 ( 7.503 -0.000 -7.547) 10.642 3.818 ( -0.878 0.000 -11.984) 12.016 4.157 ( 6.546 -0.000 1.417) 6.697 4.170 ( -5.042 0.000 0.536) 5.071 4.204 ( -6.829 0.000 4.441) 8.146 4.524 ( 14.737 -0.000 -0.848) 14.761 4.774 ( -1.773 0.000 -3.701) 4.104 5.138 ( 1.520 -0.000 3.894) 4.181 5.143 ( -3.700 0.000 -1.382) 3.950 5.577 ( -9.453 0.000 2.465) 9.769 5.740 ( -2.813 0.000 -0.317) 2.831 6.548 ( 1.988 -0.000 2.661) 3.322 7.080 ( 5.083 -0.000 -9.553) 10.821 7.909 ( -1.986 0.000 8.772) 8.994 9.497 ( -2.815 0.000 -10.127) 10.510 10.547 ( -1.001 0.000 11.106) 11.151 11.352 ( -0.219 0.000 -1.980) 1.992 ======================= Grid point 187 (65/150) ======================= q-point: ( 0.33 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.734 ( 12.418 5.586 20.974) 25.007 2.217 ( 10.722 -10.557 20.640) 25.543 2.580 ( 10.591 -2.527 5.970) 12.418 3.024 ( 0.667 0.116 -5.067) 5.112 3.167 ( -9.361 0.555 7.009) 11.707 3.362 ( -8.480 -2.613 1.787) 9.052 3.568 ( 0.387 4.691 -8.993) 10.150 3.702 ( 0.749 5.973 -7.050) 9.270 3.847 ( -16.568 5.573 5.302) 18.266 4.002 ( 2.389 -6.588 -11.715) 13.651 4.140 ( -6.011 -3.521 0.690) 7.000 4.453 ( 18.308 -3.774 -2.444) 18.852 4.660 ( 9.441 5.230 -2.595) 11.100 4.835 ( 8.382 -2.435 0.167) 8.730 5.079 ( -4.383 -0.225 -2.237) 4.926 5.187 ( 4.752 -1.004 -0.794) 4.921 5.479 ( -3.012 1.726 4.425) 5.624 5.721 ( -2.789 -1.782 0.278) 3.321 6.539 ( -2.951 0.298 2.717) 4.022 7.086 ( -0.665 2.598 -9.305) 9.684 7.904 ( -1.817 -2.231 8.574) 9.044 9.473 ( -2.501 -1.383 -9.234) 9.666 10.482 ( -0.445 6.165 10.979) 12.599 11.390 ( -0.451 -4.635 -3.130) 5.611 ======================= Grid point 188 (66/150) ======================= q-point: ( 0.44 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.870 ( 11.723 -2.979 12.265) 17.226 2.449 ( 6.499 -1.299 10.640) 12.536 2.627 ( -4.101 1.610 6.757) 8.067 3.019 ( -0.327 -0.457 -1.674) 1.766 3.068 ( -6.923 -0.974 4.568) 8.351 3.347 ( -4.290 -4.894 1.479) 6.674 3.475 ( -0.122 6.208 -4.928) 7.927 3.532 ( -13.552 5.187 7.867) 16.506 3.651 ( -0.024 1.226 -6.813) 6.923 4.116 ( -1.118 -4.643 -7.850) 9.189 4.151 ( -1.519 -4.270 -7.160) 8.474 4.672 ( 2.435 1.541 -3.888) 4.839 4.724 ( 9.510 -4.085 -6.151) 12.040 4.862 ( 2.660 4.929 5.033) 7.530 5.125 ( 9.816 1.940 -1.906) 10.185 5.309 ( 11.472 -0.472 -7.409) 13.665 5.442 ( 0.396 0.766 5.850) 5.913 5.742 ( 1.244 -3.595 2.884) 4.774 6.465 ( -7.876 0.060 2.533) 8.273 6.987 ( -5.954 3.943 -7.086) 10.061 7.932 ( -1.270 -3.674 9.150) 9.942 9.477 ( -1.703 -2.399 -8.379) 8.881 10.360 ( -0.248 7.634 10.136) 12.692 11.472 ( -0.212 -5.585 -5.368) 7.750 ======================= Grid point 189 (67/150) ======================= q-point: (-0.44 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.092 ( 7.367 -5.197 5.044) 10.331 2.330 ( -8.321 7.647 6.477) 13.026 2.540 ( -0.253 7.853 3.686) 8.679 2.965 ( -8.925 1.060 2.743) 9.397 3.037 ( 0.423 -0.591 -0.138) 0.740 3.359 ( 1.555 1.631 -2.040) 3.039 3.379 ( -3.152 -2.195 6.687) 7.712 3.449 ( -4.710 -5.430 2.689) 7.674 3.646 ( -0.142 -0.331 -8.903) 8.910 4.172 ( 0.679 -1.270 -13.644) 13.720 4.197 ( -1.963 -5.848 -1.124) 6.270 4.626 ( -6.005 2.973 -2.784) 7.256 4.714 ( 0.077 3.722 -2.880) 4.707 4.950 ( 7.091 0.390 0.521) 7.121 5.234 ( 11.605 1.579 -4.945) 12.714 5.383 ( 7.363 5.760 -5.439) 10.815 5.480 ( 5.241 -0.899 6.866) 8.684 5.911 ( 12.157 -5.415 1.942) 13.449 6.337 ( -12.716 -0.748 1.860) 12.873 6.819 ( -9.764 3.762 -4.333) 11.325 7.990 ( -0.243 -4.563 10.411) 11.369 9.503 ( -0.759 -2.618 -7.441) 7.924 10.243 ( -0.395 5.848 8.670) 10.466 11.556 ( 0.305 -4.473 -7.718) 8.925 ======================= Grid point 190 (68/150) ======================= q-point: (-0.33 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.910 ( -9.249 15.246 9.444) 20.179 2.288 ( 0.214 16.819 4.338) 17.370 2.423 ( 3.522 -7.198 -3.317) 8.673 2.854 ( -6.041 -0.829 -0.223) 6.102 3.033 ( -0.319 1.181 -2.269) 2.578 3.391 ( 2.607 -1.999 2.344) 4.035 3.441 ( -0.802 -6.427 5.097) 8.242 3.491 ( -3.364 -5.965 2.804) 7.400 3.657 ( -0.098 -1.370 -10.137) 10.229 4.166 ( 0.751 2.042 -13.422) 13.597 4.284 ( -0.273 -3.413 -5.247) 6.265 4.504 ( -1.978 2.495 1.753) 3.634 4.619 ( -2.756 6.254 2.911) 7.428 4.991 ( 2.553 1.523 -3.401) 4.517 5.252 ( -0.584 4.083 -6.504) 7.702 5.409 ( 5.226 2.069 -2.250) 6.054 5.648 ( 18.035 -1.326 5.105) 18.791 6.119 ( -4.068 -0.873 1.623) 4.466 6.204 ( 0.557 -4.015 -0.043) 4.054 6.629 ( -11.109 2.679 -2.229) 11.643 8.064 ( 0.402 -3.975 11.422) 12.101 9.538 ( -0.094 -2.273 -6.479) 6.867 10.171 ( -0.337 2.232 7.331) 7.671 11.618 ( 0.438 -2.331 -9.640) 9.928 ======================= Grid point 191 (69/150) ======================= q-point: (-0.22 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.568 ( -0.000 17.476 12.669) 21.585 1.931 ( -0.000 24.227 0.284) 24.229 2.565 ( 0.000 -4.408 3.705) 5.758 2.861 ( 0.000 -4.847 -4.645) 6.713 3.000 ( -0.000 2.330 -4.607) 5.163 3.454 ( 0.000 -2.723 3.238) 4.231 3.514 ( 0.000 -3.478 2.739) 4.427 3.588 ( 0.000 -8.241 4.792) 9.533 3.689 ( 0.000 -2.712 -8.930) 9.333 4.132 ( -0.000 2.872 -8.614) 9.080 4.239 ( -0.000 6.190 -12.418) 13.875 4.434 ( -0.000 9.744 3.550) 10.370 4.586 ( 0.000 -8.084 6.205) 10.191 4.965 ( -0.000 3.820 -5.063) 6.342 5.170 ( -0.000 4.507 -2.711) 5.260 5.429 ( 0.000 -0.216 -4.778) 4.783 5.920 ( 0.000 -2.967 2.583) 3.933 5.931 ( 0.000 -0.650 3.891) 3.945 6.368 ( 0.000 -4.357 -0.491) 4.385 6.470 ( -0.000 3.824 -1.778) 4.217 8.113 ( 0.000 -1.377 11.226) 11.310 9.572 ( 0.000 -1.846 -6.260) 6.526 10.166 ( 0.000 -1.888 7.444) 7.680 11.638 ( -0.000 0.385 -10.656) 10.663 ======================= Grid point 196 (70/150) ======================= q-point: ( 0.33 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.972 ( 11.238 -0.000 19.788) 22.756 2.216 ( 9.400 -0.000 27.150) 28.731 2.703 ( 8.245 -0.000 0.704) 8.275 3.019 ( -2.779 0.000 -3.351) 4.353 3.052 ( -9.027 0.000 7.896) 11.993 3.185 ( -10.908 0.000 4.468) 11.788 3.595 ( -0.087 0.000 -5.407) 5.408 3.681 ( -15.854 0.000 8.463) 17.972 3.834 ( 0.195 -0.000 -12.887) 12.889 3.920 ( 1.790 -0.000 -9.327) 9.497 4.042 ( -3.464 0.000 -3.234) 4.739 4.595 ( 7.595 -0.000 -5.021) 9.105 4.850 ( 11.890 -0.000 0.050) 11.890 4.867 ( -5.202 0.000 -5.186) 7.346 5.165 ( 21.954 -0.000 3.179) 22.183 5.239 ( 5.021 -0.000 1.021) 5.123 5.477 ( 0.995 -0.000 3.216) 3.366 5.679 ( -1.407 0.000 -0.728) 1.585 6.476 ( -7.331 0.000 3.210) 8.003 7.060 ( -6.794 0.000 -10.423) 12.442 7.866 ( -1.243 0.000 8.635) 8.724 9.429 ( -2.220 0.000 -9.172) 9.437 10.530 ( -0.383 0.000 10.691) 10.697 11.344 ( -0.367 0.000 -1.772) 1.810 ======================= Grid point 197 (71/150) ======================= q-point: ( 0.44 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.038 ( 10.345 4.569 17.257) 20.632 2.436 ( 6.430 -9.168 21.427) 24.177 2.664 ( -4.372 9.486 3.343) 10.967 2.962 ( -5.991 -0.959 7.207) 9.421 2.985 ( -3.301 -3.381 -0.674) 4.773 3.150 ( -4.221 -6.471 3.490) 8.478 3.461 ( -10.456 4.323 9.935) 15.057 3.583 ( 0.530 2.304 -7.130) 7.512 3.733 ( 1.274 8.344 -10.568) 13.525 3.971 ( -4.792 -5.354 1.452) 7.331 4.086 ( 1.120 -5.324 -15.701) 16.617 4.659 ( 0.656 -1.609 -7.109) 7.318 4.752 ( -5.589 1.856 -5.207) 7.861 5.019 ( 12.023 1.627 4.778) 13.039 5.290 ( 7.560 1.630 -2.938) 8.273 5.424 ( 4.604 -1.913 8.855) 10.162 5.550 ( 15.428 3.795 -4.993) 16.654 5.725 ( 7.767 -4.872 0.880) 9.211 6.350 ( -11.006 0.778 3.501) 11.575 6.920 ( -11.820 1.887 -9.181) 15.086 7.870 ( -0.761 -2.097 8.971) 9.244 9.420 ( -1.489 -1.786 -8.862) 9.162 10.473 ( -0.199 5.966 10.484) 12.065 11.381 ( -0.241 -4.688 -2.689) 5.410 ======================= Grid point 198 (72/150) ======================= q-point: ( 0.56 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.135 ( 7.452 -1.949 10.820) 13.281 2.390 ( -6.995 12.463 6.885) 15.864 2.598 ( 2.087 -2.556 13.754) 14.144 2.879 ( -6.111 0.831 6.640) 9.062 3.023 ( 0.278 -2.007 -0.813) 2.183 3.243 ( -1.904 -8.675 3.311) 9.479 3.322 ( -3.371 0.958 7.668) 8.431 3.508 ( 0.860 7.646 -8.804) 11.692 3.654 ( 0.114 2.084 -6.722) 7.039 4.029 ( -2.459 -8.143 3.440) 9.176 4.165 ( 0.437 -2.748 -17.223) 17.447 4.620 ( -2.991 3.489 -4.933) 6.742 4.723 ( -0.475 -1.725 -8.034) 8.231 5.076 ( 4.691 4.195 7.964) 10.150 5.347 ( 3.458 1.736 -9.931) 10.658 5.456 ( 0.317 -0.115 5.678) 5.688 5.668 ( 14.685 2.215 1.910) 14.973 6.010 ( 16.276 -5.305 -1.018) 17.149 6.170 ( -13.568 1.799 3.465) 14.119 6.718 ( -12.757 2.319 -6.795) 14.638 7.913 ( -0.246 -4.028 9.805) 10.603 9.446 ( -0.628 -2.980 -8.189) 8.737 10.354 ( -0.176 7.764 9.929) 12.605 11.471 ( 0.042 -5.997 -5.011) 7.815 ======================= Grid point 199 (73/150) ======================= q-point: (-0.33 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.104 ( -0.000 15.149 8.952) 17.596 2.281 ( 0.000 -7.921 6.173) 10.042 2.556 ( -0.000 9.359 3.378) 9.949 2.812 ( -0.000 1.220 3.686) 3.882 3.042 ( 0.000 -0.074 -1.145) 1.147 3.337 ( 0.000 -4.724 6.424) 7.975 3.361 ( 0.000 -7.089 2.606) 7.553 3.416 ( -0.000 3.155 -2.157) 3.822 3.644 ( 0.000 -0.242 -8.970) 8.974 4.163 ( 0.000 -9.426 2.245) 9.689 4.188 ( -0.000 0.046 -16.428) 16.428 4.531 ( -0.000 4.258 -3.859) 5.746 4.714 ( -0.000 3.587 -4.048) 5.409 5.041 ( -0.000 2.913 4.356) 5.240 5.316 ( -0.000 3.814 -9.582) 10.313 5.453 ( -0.000 0.803 2.542) 2.666 5.830 ( 0.000 -2.229 1.853) 2.898 5.980 ( -0.000 3.513 3.996) 5.321 6.217 ( 0.000 -4.715 -0.955) 4.811 6.574 ( -0.000 2.609 -4.275) 5.008 7.989 ( 0.000 -5.086 10.872) 12.003 9.493 ( 0.000 -3.050 -7.294) 7.906 10.237 ( -0.000 5.978 8.705) 10.560 11.562 ( 0.000 -4.779 -7.629) 9.002 ======================= Grid point 206 (74/150) ======================= q-point: ( 0.44 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.206 ( 5.636 -0.000 17.070) 17.977 2.413 ( 5.123 -0.000 24.272) 24.807 2.764 ( -2.646 0.000 4.516) 5.234 2.796 ( -7.664 0.000 9.194) 11.969 2.918 ( -0.539 0.000 3.383) 3.426 3.080 ( -0.945 0.000 -0.597) 1.118 3.389 ( -5.916 0.000 10.772) 12.290 3.600 ( 0.201 -0.000 -4.446) 4.451 3.853 ( 0.544 -0.000 -15.809) 15.818 3.866 ( -2.577 0.000 2.633) 3.684 4.031 ( 0.525 -0.000 -14.858) 14.867 4.651 ( 0.296 -0.000 -6.625) 6.632 4.696 ( -4.089 0.000 -5.296) 6.691 5.161 ( 6.349 -0.000 7.025) 9.469 5.373 ( 3.946 -0.000 -8.614) 9.475 5.437 ( 0.810 -0.000 9.090) 9.126 5.727 ( 6.078 -0.000 1.898) 6.368 5.898 ( 22.269 -0.000 -3.417) 22.529 6.211 ( -11.030 0.000 4.193) 11.800 6.759 ( -14.086 0.000 -9.866) 17.198 7.846 ( -0.322 0.000 9.025) 9.031 9.389 ( -0.814 0.000 -9.106) 9.143 10.525 ( -0.060 0.000 10.380) 10.380 11.336 ( -0.192 0.000 -1.500) 1.512 ======================= Grid point 207 (75/150) ======================= q-point: (-0.44 -0.56 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.197 ( -0.000 3.121 15.769) 16.074 2.528 ( 0.000 -6.984 20.274) 21.443 2.553 ( -0.000 12.727 7.389) 14.717 2.835 ( 0.000 -1.803 9.401) 9.572 2.971 ( 0.000 -4.760 -0.248) 4.767 3.110 ( 0.000 -5.170 1.330) 5.339 3.327 ( -0.000 2.359 9.530) 9.818 3.590 ( -0.000 1.724 -6.398) 6.626 3.754 ( -0.000 8.960 -11.754) 14.779 3.896 ( 0.000 -5.476 3.724) 6.623 4.101 ( 0.000 -5.231 -17.109) 17.891 4.650 ( -0.000 2.278 -5.174) 5.653 4.677 ( 0.000 -2.663 -7.374) 7.840 5.172 ( -0.000 3.243 8.636) 9.225 5.392 ( -0.000 0.885 -10.918) 10.954 5.449 ( 0.000 -0.712 7.819) 7.851 5.789 ( 0.000 -0.391 2.234) 2.268 6.091 ( 0.000 -2.424 -2.217) 3.285 6.100 ( -0.000 2.620 4.493) 5.201 6.633 ( -0.000 0.933 -9.365) 9.411 7.861 ( 0.000 -2.111 9.294) 9.531 9.400 ( 0.000 -1.931 -8.844) 9.053 10.471 ( -0.000 6.048 10.343) 11.981 11.378 ( 0.000 -4.868 -2.514) 5.478 ======================= Grid point 249 (76/150) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.157 ( 0.000 0.000 21.075) 21.075 1.920 ( 0.000 0.000 29.349) 29.349 2.587 ( 0.000 0.000 38.568) 38.568 2.594 ( 0.000 0.000 -14.492) 14.492 3.228 ( 0.000 0.000 -9.999) 9.999 3.242 ( 0.000 0.000 -12.979) 12.979 3.372 ( 0.000 0.000 -5.107) 5.107 3.710 ( 0.000 0.000 5.050) 5.050 3.983 ( 0.000 0.000 -0.955) 0.955 3.989 ( 0.000 0.000 -3.891) 3.891 4.045 ( 0.000 0.000 -1.585) 1.585 4.433 ( 0.000 0.000 -10.949) 10.949 4.434 ( 0.000 0.000 6.840) 6.840 4.902 ( 0.000 0.000 7.735) 7.735 5.195 ( 0.000 0.000 1.662) 1.662 5.387 ( 0.000 0.000 -9.814) 9.814 6.067 ( 0.000 0.000 1.190) 1.190 6.182 ( 0.000 0.000 7.303) 7.303 6.190 ( 0.000 0.000 -1.701) 1.701 6.516 ( 0.000 0.000 -1.274) 1.274 8.208 ( 0.000 0.000 13.435) 13.435 9.320 ( 0.000 0.000 -14.264) 14.264 10.792 ( 0.000 0.000 9.774) 9.774 11.308 ( 0.000 0.000 -3.174) 3.174 ======================= Grid point 250 (77/150) ======================= q-point: ( 0.11 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.336 ( 17.483 -6.192 17.736) 25.663 1.843 ( 2.425 8.592 30.403) 31.687 2.647 ( 3.968 -2.966 -13.333) 14.223 2.701 ( 1.840 -9.295 31.762) 33.145 3.097 ( 2.168 8.465 -8.440) 12.149 3.386 ( 0.342 -1.216 -5.738) 5.875 3.416 ( 1.879 -10.213 -13.191) 16.788 3.724 ( 2.754 0.181 4.360) 5.160 3.889 ( -6.078 4.676 -0.334) 7.676 3.972 ( -1.336 0.147 -1.285) 1.859 4.053 ( 3.964 3.995 -3.795) 6.788 4.329 ( -1.244 4.890 -1.166) 5.179 4.546 ( -1.668 -8.003 -1.984) 8.412 4.900 ( 0.420 0.449 6.624) 6.653 5.179 ( -0.544 1.945 1.057) 2.280 5.332 ( -5.842 1.298 -7.752) 9.793 5.943 ( -10.884 2.000 3.206) 11.521 6.110 ( -12.256 -2.435 -1.877) 12.636 6.295 ( 12.363 0.969 4.781) 13.290 6.598 ( 11.167 0.992 -2.171) 11.419 8.216 ( -1.258 -1.931 12.863) 13.067 9.326 ( -0.725 -1.249 -14.261) 14.334 10.731 ( -0.403 6.495 10.827) 12.632 11.332 ( -0.196 -2.615 -4.685) 5.369 ======================= Grid point 251 (78/150) ======================= q-point: ( 0.22 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.729 ( 22.468 -8.219 12.498) 26.991 1.784 ( 4.378 2.703 26.196) 26.696 2.770 ( 4.840 -4.155 -10.059) 11.911 2.833 ( 1.871 -1.831 19.089) 19.268 3.026 ( 4.403 4.848 -3.555) 7.451 3.405 ( 0.209 -0.105 -7.885) 7.889 3.574 ( 0.473 -5.165 -9.042) 10.424 3.711 ( -5.836 5.822 1.236) 8.336 3.808 ( 5.647 -3.971 -2.858) 7.471 3.958 ( 0.746 0.996 0.389) 1.303 4.018 ( 3.384 5.525 -5.164) 8.285 4.252 ( -2.512 0.907 1.646) 3.138 4.640 ( -3.532 -7.505 -1.055) 8.362 4.900 ( 0.519 0.288 3.468) 3.519 5.098 ( -5.824 2.850 -2.478) 6.942 5.239 ( -4.508 1.215 -2.382) 5.241 5.750 ( -10.233 4.369 4.057) 11.843 6.007 ( -10.398 -3.375 -1.833) 11.085 6.431 ( 10.567 0.823 3.457) 11.149 6.724 ( 10.519 1.437 -2.989) 11.030 8.234 ( -2.223 -2.921 11.662) 12.226 9.337 ( -1.270 -1.572 -14.237) 14.380 10.599 ( -0.307 8.454 12.360) 14.978 11.370 ( -0.556 -2.396 -7.532) 7.923 ======================= Grid point 252 (79/150) ======================= q-point: ( 0.33 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.878 ( 5.160 -6.426 16.690) 18.614 2.130 ( 18.098 -7.191 8.675) 21.319 2.763 ( -0.814 8.884 8.385) 12.243 2.897 ( 4.061 -2.489 -7.082) 8.535 3.068 ( 6.438 -0.738 3.081) 7.175 3.389 ( -0.792 1.108 -7.792) 7.910 3.505 ( -6.657 4.914 -1.132) 8.351 3.646 ( 0.509 -0.202 -2.245) 2.311 3.887 ( -0.240 5.560 -4.758) 7.322 3.988 ( 5.229 1.764 -3.497) 6.533 4.002 ( 4.035 -2.154 -6.983) 8.348 4.282 ( 0.813 -7.642 1.193) 7.777 4.694 ( -4.709 -5.703 -0.519) 7.414 4.905 ( -0.560 -0.798 -0.313) 1.024 4.972 ( -5.326 2.853 -2.245) 6.446 5.143 ( -6.390 3.327 -2.443) 7.607 5.584 ( -5.082 2.175 6.296) 8.378 5.947 ( -6.080 -2.036 0.143) 6.414 6.537 ( 6.918 0.183 2.385) 7.320 6.812 ( 6.841 1.634 -2.741) 7.548 8.250 ( -2.285 -2.504 10.709) 11.233 9.342 ( -1.265 -1.047 -14.162) 14.257 10.469 ( -0.040 6.717 12.968) 14.604 11.392 ( -0.652 -1.283 -9.926) 10.030 ======================= Grid point 253 (80/150) ======================= q-point: ( 0.44 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.084 ( 3.667 -9.233 7.601) 12.508 2.368 ( 5.448 -0.898 8.849) 10.431 2.583 ( -0.193 8.266 4.120) 9.238 2.956 ( 1.079 -0.737 -4.436) 4.625 3.196 ( 7.156 -3.288 4.713) 9.178 3.334 ( -5.835 2.172 5.732) 8.463 3.388 ( -0.561 1.610 -13.781) 13.887 3.653 ( -0.008 -0.520 2.273) 2.332 3.757 ( -1.090 6.167 -5.108) 8.082 4.006 ( 3.880 1.744 -5.765) 7.165 4.068 ( -2.593 -3.140 -8.010) 8.985 4.493 ( 8.404 -7.428 -7.353) 13.411 4.699 ( -5.188 -2.094 0.389) 5.608 4.856 ( -5.280 1.890 4.492) 7.185 4.924 ( 5.018 2.923 -4.152) 7.139 4.986 ( -8.217 1.374 -6.127) 10.342 5.551 ( -0.209 -0.602 8.160) 8.185 5.912 ( -2.129 -0.322 2.650) 3.414 6.598 ( 2.396 -0.106 1.580) 2.872 6.850 ( 2.329 0.802 -2.041) 3.199 8.257 ( -0.998 -0.967 10.315) 10.408 9.341 ( -0.535 -0.324 -14.075) 14.088 10.392 ( 0.037 2.537 12.921) 13.168 11.398 ( -0.291 -0.368 -11.232) 11.242 ======================= Grid point 259 (81/150) ======================= q-point: ( 0.11 0.11 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.584 ( 26.087 -0.000 13.003) 29.148 1.981 ( 4.618 -0.000 27.819) 28.200 2.642 ( 4.080 -0.000 36.216) 36.445 2.693 ( 6.416 -0.000 -12.445) 14.001 3.282 ( 4.153 -0.000 -10.598) 11.383 3.295 ( 3.583 -0.000 -12.554) 13.055 3.381 ( 0.602 -0.000 -4.317) 4.359 3.768 ( 2.911 -0.000 3.150) 4.289 3.842 ( -7.548 0.000 0.186) 7.551 3.943 ( -0.683 0.000 0.233) 0.722 4.153 ( 4.971 -0.000 -4.024) 6.395 4.394 ( -2.141 0.000 6.043) 6.411 4.407 ( -2.182 0.000 -9.150) 9.407 4.892 ( -2.455 0.000 6.040) 6.520 5.193 ( -0.739 0.000 0.598) 0.950 5.234 ( -9.117 0.000 -6.238) 11.047 5.854 ( -6.595 0.000 1.201) 6.703 5.913 ( -13.712 0.000 -0.038) 13.712 6.448 ( 10.018 -0.000 4.197) 10.862 6.750 ( 10.632 -0.000 -3.339) 11.144 8.178 ( -2.165 0.000 13.031) 13.210 9.302 ( -1.352 0.000 -14.265) 14.329 10.779 ( -0.899 0.000 9.913) 9.954 11.305 ( -0.158 0.000 -3.298) 3.302 ======================= Grid point 260 (82/150) ======================= q-point: ( 0.22 0.11 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.940 ( 18.855 0.067 15.323) 24.296 1.974 ( 12.292 5.135 21.056) 24.916 2.771 ( 4.135 -4.846 15.707) 16.949 2.805 ( 5.773 -4.254 2.305) 7.533 3.202 ( 5.320 8.184 -8.555) 12.979 3.397 ( -0.007 -0.908 -3.462) 3.579 3.479 ( 1.409 -7.271 -10.998) 13.259 3.712 ( -5.975 3.582 0.457) 6.981 3.777 ( -3.426 -2.242 -1.234) 4.277 4.007 ( 9.953 -0.965 1.414) 10.099 4.162 ( 2.267 4.421 -3.927) 6.333 4.289 ( -0.643 5.859 1.010) 5.980 4.478 ( -2.370 -6.742 -0.757) 7.187 4.834 ( -7.341 -1.433 2.386) 7.850 5.103 ( -2.370 3.585 -3.607) 5.611 5.190 ( -4.138 -0.809 -1.437) 4.454 5.702 ( -8.505 3.910 2.457) 9.678 5.833 ( -6.579 -3.892 -0.711) 7.677 6.551 ( 6.444 0.492 3.709) 7.451 6.862 ( 7.551 0.920 -4.246) 8.712 8.162 ( -2.604 -1.866 12.277) 12.688 9.292 ( -1.775 -1.302 -14.247) 14.416 10.714 ( -0.790 5.960 10.829) 12.386 11.324 ( -0.333 -2.239 -4.679) 5.198 ======================= Grid point 261 (83/150) ======================= q-point: ( 0.33 0.11 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.949 ( 8.160 3.956 22.862) 24.595 2.282 ( 17.360 -3.120 6.348) 18.746 2.842 ( 0.918 1.243 6.081) 6.274 2.925 ( 3.811 -1.660 3.093) 5.182 3.171 ( 6.048 3.904 -3.458) 7.986 3.371 ( -5.083 0.784 0.620) 5.181 3.499 ( -2.971 1.884 -7.416) 8.208 3.622 ( -3.138 -0.285 -0.966) 3.296 3.824 ( -1.344 -6.487 -8.538) 10.806 4.057 ( -5.923 5.517 3.764) 8.927 4.142 ( 3.309 6.939 -3.433) 8.419 4.258 ( 12.450 -4.451 -0.931) 13.254 4.555 ( -1.074 -5.184 -0.572) 5.325 4.813 ( -0.346 -3.188 -0.432) 3.236 5.041 ( -0.313 3.076 -6.049) 6.793 5.103 ( -6.338 2.947 -1.523) 7.154 5.571 ( -2.988 2.222 5.146) 6.352 5.832 ( -3.792 -3.992 0.213) 5.510 6.598 ( 2.038 0.470 3.338) 3.939 6.910 ( 3.316 1.872 -4.115) 5.607 8.171 ( -2.296 -3.137 11.300) 11.950 9.297 ( -1.705 -1.967 -14.204) 14.441 10.589 ( -0.413 7.856 12.005) 14.353 11.357 ( -0.367 -2.152 -7.243) 7.565 ======================= Grid point 262 (84/150) ======================= q-point: ( 0.44 0.11 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.051 ( 7.910 -3.120 14.316) 16.651 2.462 ( 7.108 1.346 6.336) 9.617 2.718 ( -3.820 10.792 5.124) 12.542 2.969 ( 1.492 0.225 -2.993) 3.352 3.236 ( 5.037 -1.608 2.263) 5.751 3.278 ( -5.712 0.343 6.047) 8.326 3.425 ( -0.166 3.500 -12.542) 13.022 3.607 ( -3.487 -2.124 0.956) 4.193 3.810 ( -9.628 6.617 3.773) 12.277 3.894 ( -4.236 -4.831 -9.241) 11.255 4.131 ( 3.947 1.399 -6.249) 7.523 4.517 ( 8.415 -4.946 -10.709) 14.490 4.631 ( 4.391 -4.297 3.459) 7.051 4.870 ( -1.114 2.720 3.118) 4.285 4.929 ( -0.117 2.310 -5.886) 6.324 5.042 ( 4.361 3.100 -5.749) 7.853 5.551 ( 1.124 -0.362 7.178) 7.274 5.860 ( -1.026 -3.367 2.202) 4.152 6.589 ( -2.922 -0.036 2.831) 4.069 6.889 ( -1.157 2.321 -3.200) 4.119 8.204 ( -1.000 -3.530 10.757) 11.365 9.311 ( -0.976 -1.978 -14.047) 14.219 10.466 ( -0.251 6.366 12.617) 14.135 11.383 ( 0.015 -1.359 -9.627) 9.722 ======================= Grid point 263 (85/150) ======================= q-point: (-0.44 0.11 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.180 ( 2.758 1.584 6.338) 7.092 2.420 ( -2.494 12.993 8.921) 15.957 2.481 ( -4.263 -0.426 5.786) 7.200 2.959 ( -1.386 1.299 -4.156) 4.569 3.157 ( -7.034 3.234 6.236) 9.941 3.361 ( 5.118 -3.236 4.866) 7.769 3.389 ( 0.312 1.064 -13.435) 13.481 3.603 ( -3.146 -3.232 6.645) 8.031 3.671 ( -4.881 -2.471 -3.444) 6.464 3.904 ( -2.841 -2.247 -11.128) 11.703 4.146 ( 0.703 2.141 -8.706) 8.993 4.526 ( -2.874 4.351 -10.455) 11.683 4.752 ( -6.081 -5.479 1.189) 8.271 4.834 ( 9.584 2.830 2.997) 10.433 5.004 ( 12.504 0.019 -0.457) 12.512 5.078 ( 6.737 2.404 -7.261) 10.192 5.577 ( 2.399 0.359 8.139) 8.492 5.928 ( 4.106 -2.924 2.134) 5.474 6.524 ( -7.894 -0.583 2.254) 8.230 6.812 ( -5.391 1.769 -2.411) 6.165 8.255 ( 0.753 -2.601 10.614) 10.954 9.334 ( 0.032 -1.535 -13.799) 13.884 10.389 ( -0.281 2.385 12.976) 13.196 11.402 ( 0.515 -0.592 -11.164) 11.192 ======================= Grid point 264 (86/150) ======================= q-point: (-0.33 0.11 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.006 ( -3.968 13.334 9.711) 16.966 2.083 ( -11.723 13.616 10.024) 20.575 2.623 ( 3.303 -10.182 7.943) 13.330 2.890 ( -4.212 2.328 -6.440) 8.039 3.016 ( -5.708 2.949 4.557) 7.876 3.381 ( 0.158 -0.240 -11.115) 11.118 3.502 ( 5.475 -5.206 2.117) 7.847 3.609 ( -2.444 -2.231 1.224) 3.528 3.732 ( -2.765 -8.239 -0.103) 8.691 3.911 ( -1.040 -2.001 -9.591) 9.853 4.047 ( -3.901 6.678 -12.453) 14.659 4.418 ( 1.506 6.829 -2.453) 7.411 4.782 ( -4.667 -6.330 1.091) 7.940 4.852 ( 5.426 5.509 2.637) 8.170 5.109 ( 3.780 2.233 -4.379) 6.201 5.188 ( 10.453 -0.781 -2.168) 10.704 5.641 ( 8.611 -1.427 7.486) 11.499 6.052 ( 9.256 -1.194 -0.141) 9.334 6.407 ( -11.851 -0.855 2.307) 12.103 6.697 ( -9.347 0.556 -2.407) 9.668 8.297 ( 1.700 -0.287 10.628) 10.767 9.358 ( 0.671 -0.672 -13.717) 13.749 10.388 ( -0.224 -2.773 13.399) 13.685 11.413 ( 0.700 0.251 -11.415) 11.439 ======================= Grid point 265 (87/150) ======================= q-point: (-0.22 0.11 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.676 ( -11.979 13.304 15.494) 23.676 1.797 ( -1.654 9.133 18.102) 20.343 2.781 ( -2.185 0.825 -5.727) 6.185 2.803 ( 0.665 -2.259 6.944) 7.332 2.933 ( -3.626 -0.702 2.043) 4.220 3.394 ( 0.019 -1.026 -11.102) 11.149 3.602 ( -0.645 -0.847 -1.149) 1.567 3.680 ( 4.715 -6.352 1.361) 8.027 3.800 ( -4.982 -2.429 0.312) 5.551 3.864 ( -1.713 2.873 -11.819) 12.283 3.972 ( 0.064 -2.476 -6.429) 6.890 4.332 ( 1.921 6.369 1.033) 6.732 4.803 ( 2.893 7.394 0.931) 7.994 4.827 ( -2.542 -4.888 4.392) 7.046 5.118 ( 0.423 -0.704 -1.290) 1.529 5.289 ( 5.055 -0.335 -4.862) 7.022 5.843 ( 14.335 -3.408 5.424) 15.702 6.185 ( 7.208 0.171 -0.567) 7.233 6.262 ( -9.025 -0.217 1.847) 9.215 6.556 ( -12.357 -0.759 -2.549) 12.640 8.301 ( 1.254 2.091 10.996) 11.263 9.368 ( 0.601 0.565 -13.917) 13.942 10.469 ( -0.026 -7.125 13.510) 15.274 11.408 ( 0.438 1.380 -10.186) 10.288 ======================= Grid point 266 (88/150) ======================= q-point: (-0.11 0.11 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.374 ( -0.000 12.091 18.833) 22.380 1.728 ( 0.000 -2.022 27.578) 27.652 2.686 ( -0.000 4.855 -13.019) 13.895 2.814 ( -0.000 4.378 22.354) 22.779 2.966 ( 0.000 -5.797 -4.269) 7.200 3.401 ( -0.000 0.491 -8.499) 8.513 3.556 ( -0.000 7.120 -10.652) 12.812 3.710 ( -0.000 1.799 1.805) 2.548 3.845 ( 0.000 -7.421 0.379) 7.431 3.900 ( 0.000 -4.918 -3.584) 6.086 4.008 ( 0.000 -1.002 -3.209) 3.362 4.289 ( 0.000 -0.244 -0.086) 0.259 4.691 ( -0.000 8.298 -0.971) 8.355 4.872 ( 0.000 -2.476 5.985) 6.477 5.147 ( 0.000 -2.220 0.992) 2.432 5.341 ( 0.000 -1.781 -7.350) 7.563 6.046 ( 0.000 -1.297 2.517) 2.831 6.122 ( 0.000 -3.413 6.474) 7.319 6.272 ( -0.000 4.487 -3.621) 5.766 6.468 ( 0.000 -2.826 -1.473) 3.187 8.266 ( -0.000 2.930 11.910) 12.265 9.355 ( -0.000 1.478 -14.158) 14.235 10.603 ( 0.000 -8.791 12.590) 15.355 11.379 ( -0.000 2.582 -7.652) 8.076 ======================= Grid point 269 (89/150) ======================= q-point: ( 0.22 0.22 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.146 ( 7.824 -0.000 24.103) 25.341 2.215 ( 20.144 -0.000 7.842) 21.617 2.770 ( 5.069 -0.000 28.880) 29.322 2.852 ( 5.071 -0.000 -8.272) 9.702 3.372 ( 0.963 -0.000 -7.560) 7.621 3.373 ( -2.501 0.000 0.829) 2.634 3.401 ( 2.768 -0.000 -11.007) 11.350 3.681 ( -6.891 0.000 -2.230) 7.243 3.682 ( -2.148 0.000 -2.223) 3.092 4.167 ( 14.870 -0.000 -0.328) 14.873 4.188 ( -3.756 0.000 1.354) 3.993 4.270 ( -10.059 0.000 0.416) 10.068 4.512 ( 14.413 -0.000 0.336) 14.417 4.720 ( -5.737 0.000 -0.740) 5.784 5.104 ( -6.820 0.000 -2.584) 7.293 5.129 ( 0.376 -0.000 -4.296) 4.312 5.634 ( -6.556 0.000 2.835) 7.143 5.740 ( -2.911 0.000 -0.144) 2.915 6.611 ( 2.150 -0.000 3.840) 4.401 6.942 ( 3.383 -0.000 -5.485) 6.445 8.113 ( -2.471 0.000 12.289) 12.535 9.256 ( -2.057 0.000 -14.100) 14.250 10.754 ( -0.886 0.000 10.228) 10.267 11.301 ( -0.181 0.000 -3.417) 3.422 ======================= Grid point 270 (90/150) ======================= q-point: ( 0.33 0.22 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.171 ( 9.071 7.815 23.228) 26.133 2.456 ( 14.348 -1.125 5.982) 15.586 2.857 ( 2.038 -1.517 15.656) 15.861 2.927 ( 3.337 -2.635 0.165) 4.255 3.290 ( -6.936 1.573 3.983) 8.151 3.319 ( 0.895 4.160 -5.367) 6.849 3.452 ( -2.422 -3.284 -3.768) 5.554 3.586 ( -4.276 2.504 -3.857) 6.280 3.728 ( 1.478 -4.489 -10.040) 11.097 4.026 ( -11.864 5.815 6.365) 14.666 4.172 ( -6.341 -1.416 2.596) 6.997 4.373 ( 11.083 -2.638 -6.880) 13.308 4.613 ( 10.066 5.066 -0.644) 11.288 4.823 ( 10.704 -5.046 -0.778) 11.860 5.008 ( -3.823 1.280 -4.396) 5.965 5.129 ( 1.387 1.540 -5.423) 5.806 5.567 ( -1.827 1.004 4.316) 4.793 5.735 ( -1.840 -2.969 0.577) 3.541 6.605 ( -2.414 0.582 4.042) 4.744 6.946 ( -1.476 0.935 -5.667) 5.931 8.101 ( -1.863 -1.961 11.826) 12.131 9.242 ( -1.920 -1.572 -13.923) 14.143 10.696 ( -0.553 5.525 10.953) 12.280 11.317 ( -0.162 -2.042 -4.519) 4.961 ======================= Grid point 271 (91/150) ======================= q-point: ( 0.44 0.22 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.183 ( 9.418 4.706 18.988) 21.711 2.580 ( 5.265 3.221 4.885) 7.871 2.820 ( -1.694 6.039 8.894) 10.883 2.985 ( 0.510 -0.406 0.853) 1.074 3.185 ( -6.431 -0.542 6.527) 9.179 3.297 ( 3.005 1.058 -2.492) 4.044 3.477 ( -3.063 -3.863 -2.417) 5.491 3.497 ( -2.316 2.662 -4.364) 5.612 3.719 ( -11.565 4.335 8.059) 14.748 3.843 ( -0.959 -1.346 -11.586) 11.703 4.143 ( -2.130 -1.831 -0.647) 2.882 4.493 ( 1.049 -3.172 -12.274) 12.721 4.680 ( 1.148 1.138 -0.428) 1.672 4.900 ( 7.128 0.898 -0.163) 7.186 5.078 ( 6.949 3.451 -3.950) 8.707 5.168 ( 14.023 1.570 -6.113) 15.377 5.561 ( 1.547 -0.644 6.173) 6.396 5.792 ( 1.378 -4.724 1.708) 5.209 6.531 ( -7.133 0.922 4.224) 8.340 6.876 ( -6.169 1.530 -4.741) 7.930 8.130 ( -0.797 -3.775 11.481) 12.112 9.257 ( -1.226 -2.707 -13.694) 14.012 10.579 ( -0.340 7.599 11.988) 14.198 11.354 ( 0.108 -2.292 -6.927) 7.297 ======================= Grid point 272 (92/150) ======================= q-point: (-0.44 0.22 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.255 ( 6.793 1.396 11.522) 13.448 2.466 ( -6.246 7.049 7.514) 12.048 2.654 ( 1.602 13.924 8.203) 16.239 2.955 ( -3.058 1.758 -2.406) 4.269 3.118 ( -4.791 1.235 6.703) 8.331 3.362 ( 3.239 -3.311 1.738) 4.947 3.429 ( 0.252 3.315 -10.210) 10.737 3.508 ( -3.272 -4.280 3.701) 6.536 3.541 ( -7.198 -1.137 6.450) 9.731 3.867 ( -0.096 -1.085 -15.423) 15.461 4.157 ( -0.761 -0.892 -5.038) 5.173 4.536 ( -0.503 -0.927 -13.257) 13.299 4.601 ( -6.786 -1.327 1.014) 6.989 5.021 ( 9.208 4.375 3.956) 10.935 5.098 ( 4.687 -0.496 -8.200) 9.458 5.297 ( 13.134 5.414 -3.799) 14.705 5.625 ( 6.150 -0.803 7.836) 9.994 5.940 ( 8.692 -5.327 0.693) 10.218 6.395 ( -11.678 0.705 4.140) 12.410 6.746 ( -9.691 1.583 -3.469) 10.415 8.199 ( 0.352 -4.771 11.382) 12.346 9.295 ( -0.344 -2.971 -13.391) 13.721 10.458 ( -0.295 6.315 12.779) 14.257 11.390 ( 0.426 -1.680 -9.458) 9.616 ======================= Grid point 273 (93/150) ======================= q-point: (-0.33 0.22 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.121 ( -5.765 13.059 12.197) 18.776 2.307 ( 0.048 15.614 2.489) 15.811 2.546 ( 3.562 -3.377 11.318) 12.336 2.863 ( -4.561 2.430 -1.267) 5.321 3.022 ( -2.644 3.875 3.080) 5.612 3.393 ( 0.149 1.547 -11.194) 11.302 3.476 ( 3.414 -5.189 2.509) 6.699 3.528 ( -1.713 -3.813 4.050) 5.820 3.570 ( -2.978 -6.860 2.436) 7.865 3.883 ( 0.205 -1.268 -14.207) 14.265 4.109 ( -1.746 5.117 -11.415) 12.631 4.511 ( 1.085 2.347 -8.132) 8.533 4.614 ( -3.854 -6.571 3.288) 8.297 5.016 ( 5.055 5.751 3.401) 8.378 5.127 ( -1.102 0.787 -5.261) 5.432 5.351 ( 6.382 3.906 -3.495) 8.258 5.767 ( 14.016 -1.239 7.036) 15.732 6.146 ( 8.361 -2.455 0.086) 8.714 6.223 ( -11.630 -1.356 2.904) 12.064 6.583 ( -11.117 1.643 -2.697) 11.557 8.279 ( 0.737 -3.714 11.163) 11.787 9.338 ( 0.147 -2.348 -13.214) 13.422 10.381 ( -0.193 2.341 13.351) 13.556 11.416 ( 0.400 -0.806 -11.202) 11.238 ======================= Grid point 274 (94/150) ======================= q-point: (-0.22 0.22 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.839 ( -0.000 15.180 15.102) 21.413 2.013 ( -0.000 17.500 8.920) 19.642 2.698 ( 0.000 -8.909 9.251) 12.843 2.797 ( -0.000 1.407 -4.470) 4.686 2.937 ( -0.000 3.940 0.446) 3.965 3.383 ( 0.000 -0.170 -11.616) 11.617 3.560 ( 0.000 -3.119 1.570) 3.492 3.620 ( 0.000 -5.938 1.861) 6.223 3.656 ( 0.000 -7.514 2.362) 7.876 3.920 ( 0.000 -2.900 -10.599) 10.989 3.977 ( -0.000 8.446 -13.899) 16.264 4.456 ( -0.000 6.036 -4.443) 7.495 4.705 ( 0.000 -7.349 6.023) 9.502 4.946 ( -0.000 7.297 4.113) 8.376 5.105 ( 0.000 -0.180 -3.957) 3.961 5.339 ( -0.000 2.165 -4.439) 4.939 5.991 ( 0.000 -4.134 4.732) 6.283 6.019 ( -0.000 0.502 5.241) 5.265 6.345 ( 0.000 -4.532 -1.960) 4.938 6.426 ( -0.000 4.154 -2.923) 5.079 8.322 ( 0.000 -0.714 10.863) 10.887 9.368 ( 0.000 -1.041 -13.428) 13.469 10.384 ( 0.000 -2.896 13.725) 14.027 11.424 ( -0.000 0.218 -11.520) 11.522 ======================= Grid point 279 (95/150) ======================= q-point: ( 0.33 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.364 ( 8.521 -0.000 20.201) 21.925 2.611 ( 11.264 -0.000 7.624) 13.602 2.869 ( 2.171 -0.000 21.843) 21.951 2.940 ( 1.488 -0.000 -4.518) 4.757 3.202 ( -7.914 0.000 7.060) 10.605 3.268 ( -8.259 0.000 3.437) 8.945 3.450 ( 1.437 -0.000 -8.885) 9.000 3.574 ( -0.798 0.000 -9.048) 9.083 3.722 ( 2.547 -0.000 -9.275) 9.618 3.914 ( -14.066 0.000 10.468) 17.534 4.059 ( -5.209 0.000 2.877) 5.950 4.445 ( 3.426 -0.000 -10.361) 10.913 4.775 ( -6.851 0.000 -4.041) 7.954 4.861 ( 15.853 -0.000 1.049) 15.887 5.158 ( 1.287 -0.000 -8.134) 8.235 5.167 ( 23.813 -0.000 -2.116) 23.906 5.558 ( -0.573 0.000 4.324) 4.362 5.698 ( 0.055 -0.000 1.492) 1.493 6.552 ( -6.627 0.000 4.510) 8.016 6.900 ( -6.848 0.000 -6.395) 9.370 8.064 ( -1.176 0.000 11.951) 12.008 9.204 ( -1.771 0.000 -13.588) 13.703 10.738 ( -0.366 0.000 10.570) 10.576 11.296 ( -0.136 0.000 -3.245) 3.248 ======================= Grid point 280 (96/150) ======================= q-point: ( 0.44 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.402 ( 8.060 6.633 19.409) 22.038 2.702 ( 3.655 4.654 3.821) 7.044 2.870 ( 0.709 1.173 16.304) 16.361 2.967 ( -0.469 -1.720 2.208) 2.838 3.100 ( -5.253 -0.205 7.562) 9.210 3.239 ( -5.467 -6.451 4.405) 9.535 3.426 ( 0.884 3.326 -7.046) 7.841 3.557 ( 0.310 2.541 -7.316) 7.751 3.679 ( -8.364 5.712 8.937) 13.508 3.795 ( -0.582 -2.881 -10.831) 11.223 4.039 ( -4.071 -4.415 3.494) 6.948 4.476 ( 0.889 -0.841 -11.904) 11.966 4.655 ( -7.000 1.918 -4.405) 8.490 5.064 ( 12.916 -0.004 -1.669) 13.024 5.163 ( 2.803 2.039 -6.474) 7.344 5.457 ( 17.299 3.660 -5.052) 18.390 5.582 ( 7.010 -1.142 6.995) 9.968 5.758 ( 5.530 -4.537 1.814) 7.379 6.434 ( -10.194 1.027 4.998) 11.400 6.776 ( -11.546 0.337 -5.831) 12.940 8.072 ( -0.460 -2.210 11.918) 12.130 9.201 ( -1.150 -2.005 -13.295) 13.494 10.686 ( -0.197 5.488 11.190) 12.465 11.315 ( -0.008 -2.230 -4.227) 4.779 ======================= Grid point 281 (97/150) ======================= q-point: ( 0.56 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.398 ( 6.186 4.848 15.541) 17.415 2.542 ( -4.295 10.525 8.485) 14.185 2.861 ( 3.070 6.748 11.811) 13.944 2.943 ( -2.865 1.731 0.814) 3.445 3.070 ( -2.544 -1.332 5.915) 6.576 3.305 ( -1.474 -6.652 2.311) 7.195 3.409 ( -0.048 -1.100 -0.925) 1.438 3.491 ( -1.850 3.992 2.718) 5.172 3.509 ( -2.118 4.489 -0.763) 5.022 3.841 ( 0.068 -2.270 -15.675) 15.839 4.088 ( -1.419 -5.432 1.682) 5.861 4.503 ( 0.372 -1.309 -11.324) 11.406 4.547 ( -4.193 1.839 -4.936) 6.732 5.132 ( 0.905 1.023 -11.979) 12.057 5.196 ( 6.466 3.546 4.470) 8.624 5.490 ( 3.275 3.637 -1.695) 5.180 5.743 ( 12.777 -0.041 5.229) 13.806 5.992 ( 13.503 -5.728 -0.967) 14.700 6.260 ( -12.089 2.342 5.749) 13.589 6.611 ( -12.502 -0.047 -4.361) 13.241 8.124 ( 0.052 -4.393 11.950) 12.732 9.236 ( -0.393 -3.344 -13.047) 13.474 10.573 ( -0.137 7.660 12.193) 14.400 11.358 ( 0.147 -2.630 -6.725) 7.223 ======================= Grid point 282 (98/150) ======================= q-point: (-0.33 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.302 ( -0.000 13.084 11.305) 17.291 2.417 ( -0.000 0.198 8.118) 8.120 2.690 ( -0.000 14.553 10.376) 17.874 2.878 ( -0.000 3.086 0.980) 3.238 3.054 ( -0.000 1.696 3.761) 4.126 3.407 ( 0.000 -6.434 1.624) 6.636 3.435 ( -0.000 3.496 -9.971) 10.566 3.452 ( 0.000 -4.154 3.047) 5.151 3.463 ( 0.000 -2.278 6.997) 7.359 3.867 ( 0.000 -1.055 -16.152) 16.186 4.141 ( 0.000 -0.785 -5.367) 5.424 4.506 ( 0.000 -2.087 2.242) 3.063 4.531 ( 0.000 -0.679 -13.138) 13.156 5.122 ( -0.000 0.935 -10.337) 10.380 5.157 ( -0.000 5.527 5.794) 8.007 5.453 ( -0.000 3.858 -2.115) 4.400 5.881 ( 0.000 -2.359 3.511) 4.230 6.094 ( -0.000 3.571 7.477) 8.286 6.188 ( 0.000 -4.909 -2.121) 5.348 6.506 ( -0.000 0.627 -2.954) 3.020 8.206 ( 0.000 -5.328 11.756) 12.907 9.291 ( 0.000 -3.398 -12.978) 13.415 10.454 ( -0.000 6.356 12.961) 14.436 11.397 ( 0.000 -1.876 -9.417) 9.602 ======================= Grid point 289 (99/150) ======================= q-point: ( 0.44 0.44 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.548 ( 4.580 -0.000 17.744) 18.325 2.803 ( 2.753 -0.000 1.988) 3.396 2.901 ( 1.893 -0.000 23.894) 23.969 2.914 ( -2.570 0.000 2.087) 3.311 3.048 ( -3.710 0.000 8.887) 9.630 3.106 ( -2.693 0.000 3.808) 4.664 3.478 ( 0.608 -0.000 -7.697) 7.721 3.578 ( 0.550 -0.000 -6.440) 6.463 3.640 ( -6.195 0.000 8.704) 10.684 3.770 ( 1.095 -0.000 -10.977) 11.031 3.948 ( -2.767 0.000 4.450) 5.240 4.477 ( 0.345 -0.000 -11.437) 11.442 4.594 ( -4.263 0.000 -4.966) 6.545 5.147 ( 1.569 -0.000 -13.106) 13.200 5.263 ( 7.179 -0.000 3.089) 7.816 5.544 ( 0.324 -0.000 1.534) 1.568 5.782 ( 6.425 -0.000 3.158) 7.159 5.851 ( 22.547 -0.000 -1.058) 22.572 6.308 ( -10.021 0.000 5.457) 11.411 6.603 ( -14.395 0.000 -6.107) 15.636 8.050 ( -0.154 0.000 12.035) 12.036 9.172 ( -0.661 0.000 -13.052) 13.069 10.733 ( -0.051 0.000 10.802) 10.802 11.294 ( -0.054 0.000 -2.972) 2.973 ======================= Grid point 290 (100/150) ======================= q-point: (-0.44 -0.56 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.527 ( -0.000 5.244 17.587) 18.352 2.693 ( -0.000 10.717 6.547) 12.559 2.932 ( 0.000 -0.898 -0.151) 0.911 2.936 ( 0.000 -0.499 21.528) 21.534 3.021 ( 0.000 -1.288 5.959) 6.097 3.168 ( 0.000 -7.513 4.399) 8.706 3.441 ( -0.000 3.563 -7.264) 8.091 3.543 ( -0.000 4.713 12.447) 13.309 3.572 ( -0.000 3.007 -8.153) 8.690 3.800 ( 0.000 -2.507 -13.969) 14.193 3.981 ( 0.000 -5.458 4.772) 7.250 4.490 ( 0.000 -1.142 -12.134) 12.188 4.550 ( -0.000 1.887 -4.803) 5.161 5.150 ( -0.000 0.574 -13.894) 13.905 5.291 ( -0.000 2.408 4.142) 4.791 5.538 ( -0.000 1.092 1.248) 1.658 5.841 ( 0.000 -0.320 3.165) 3.181 6.054 ( 0.000 -2.700 -1.704) 3.193 6.206 ( -0.000 2.593 6.068) 6.599 6.487 ( 0.000 -1.101 -5.462) 5.572 8.068 ( 0.000 -2.351 12.081) 12.308 9.186 ( 0.000 -2.222 -12.948) 13.138 10.684 ( -0.000 5.559 11.319) 12.610 11.316 ( 0.000 -2.396 -4.075) 4.727 ======================= Grid point 332 (101/150) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.560 ( 0.000 0.000 20.570) 20.570 2.291 ( 0.000 0.000 -16.927) 16.927 2.446 ( 0.000 0.000 25.034) 25.034 3.049 ( 0.000 0.000 -6.752) 6.752 3.061 ( 0.000 0.000 -6.692) 6.692 3.176 ( 0.000 0.000 -5.155) 5.155 3.289 ( 0.000 0.000 23.844) 23.844 3.798 ( 0.000 0.000 4.048) 4.048 3.925 ( 0.000 0.000 -2.975) 2.975 3.972 ( 0.000 0.000 -0.063) 0.063 4.011 ( 0.000 0.000 -1.800) 1.800 4.176 ( 0.000 0.000 -16.058) 16.058 4.617 ( 0.000 0.000 12.028) 12.028 5.035 ( 0.000 0.000 6.117) 6.117 5.161 ( 0.000 0.000 -13.527) 13.527 5.194 ( 0.000 0.000 -1.657) 1.657 6.086 ( 0.000 0.000 1.061) 1.061 6.154 ( 0.000 0.000 -2.051) 2.051 6.314 ( 0.000 0.000 6.153) 6.153 6.480 ( 0.000 0.000 -2.535) 2.535 8.483 ( 0.000 0.000 14.721) 14.721 9.045 ( 0.000 0.000 -14.303) 14.303 10.969 ( 0.000 0.000 8.538) 8.538 11.230 ( 0.000 0.000 -4.891) 4.891 ======================= Grid point 333 (102/150) ======================= q-point: ( 0.11 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.688 ( 11.911 -5.322 18.473) 22.615 2.362 ( 5.557 -3.627 -14.937) 16.344 2.393 ( 1.709 6.756 25.394) 26.333 2.994 ( 2.041 3.214 -1.997) 4.299 3.170 ( 0.504 -2.168 -8.823) 9.100 3.183 ( 1.750 -4.966 -10.232) 11.507 3.288 ( 0.760 1.863 20.817) 20.914 3.799 ( 1.379 0.904 3.303) 3.692 3.868 ( -3.964 4.576 -2.140) 6.422 3.954 ( 2.240 4.504 -4.025) 6.442 3.984 ( 0.281 0.265 -0.422) 0.572 4.197 ( -0.005 -1.456 -10.304) 10.407 4.649 ( -2.447 -5.557 10.788) 12.379 5.020 ( -0.378 1.473 5.677) 5.878 5.129 ( -5.090 0.696 -9.405) 10.717 5.188 ( 0.229 0.228 -3.854) 3.868 5.991 ( -10.694 0.731 1.961) 10.897 6.069 ( -11.265 -0.850 -2.252) 11.519 6.391 ( 10.717 1.409 4.985) 11.903 6.549 ( 10.003 1.221 -2.990) 10.511 8.482 ( -1.409 -1.081 14.462) 14.570 9.048 ( -0.935 -1.033 -14.571) 14.637 10.927 ( -0.391 4.508 9.501) 10.524 11.229 ( -0.249 0.133 -6.084) 6.091 ======================= Grid point 334 (103/150) ======================= q-point: ( 0.22 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.990 ( 16.536 -7.637 14.315) 23.166 2.299 ( 2.708 6.871 26.374) 27.389 2.537 ( 8.254 -5.571 -13.176) 16.516 2.997 ( 3.322 1.414 3.265) 4.868 3.160 ( 0.820 3.375 -16.664) 17.023 3.224 ( 0.496 5.361 17.696) 18.497 3.338 ( 2.408 -7.533 -12.937) 15.163 3.707 ( -4.263 7.279 -3.973) 9.324 3.809 ( 1.992 0.521 1.624) 2.622 3.905 ( 3.306 5.808 -4.621) 8.125 3.997 ( 1.384 0.056 3.061) 3.360 4.214 ( -0.372 -1.120 -5.751) 5.871 4.711 ( -4.949 -6.916 7.957) 11.646 4.983 ( -0.442 2.195 4.291) 4.840 5.020 ( -8.635 0.838 -4.872) 9.950 5.177 ( -1.872 0.686 -4.043) 4.508 5.827 ( -10.014 1.921 3.690) 10.844 5.957 ( -9.434 -2.932 -3.163) 10.373 6.505 ( 10.064 1.443 4.182) 10.993 6.661 ( 9.940 1.394 -3.566) 10.652 8.481 ( -2.380 -1.751 13.789) 14.102 9.051 ( -1.609 -1.354 -15.171) 15.316 10.829 ( -0.481 6.424 11.420) 13.111 11.216 ( -0.494 0.898 -8.599) 8.660 ======================= Grid point 335 (104/150) ======================= q-point: ( 0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.256 ( 4.317 1.531 20.810) 21.308 2.324 ( 13.100 -6.493 11.812) 18.796 2.723 ( 6.139 -4.832 -9.463) 12.271 2.929 ( -0.425 11.548 5.543) 12.817 3.110 ( 2.000 1.005 -10.444) 10.681 3.220 ( 3.577 -0.781 6.369) 7.346 3.446 ( -0.254 -3.069 -11.378) 11.787 3.549 ( -3.868 5.097 -4.033) 7.564 3.831 ( 0.884 0.512 -0.004) 1.021 3.874 ( 4.949 2.908 -3.654) 6.805 4.004 ( 4.647 4.145 2.448) 6.691 4.228 ( -1.005 -2.059 -6.585) 6.972 4.729 ( -5.999 -4.563 3.880) 8.477 4.903 ( -6.657 0.270 -4.265) 7.911 4.944 ( -2.591 0.880 3.663) 4.572 5.091 ( -6.511 3.509 -3.104) 8.021 5.718 ( -4.075 -0.704 7.055) 8.178 5.923 ( -4.398 -3.257 -2.777) 6.137 6.597 ( 6.862 0.904 3.747) 7.871 6.750 ( 6.816 1.119 -3.632) 7.804 8.478 ( -2.352 -1.612 13.015) 13.324 9.049 ( -1.591 -0.987 -15.731) 15.842 10.723 ( -0.333 5.485 13.089) 14.196 11.191 ( -0.516 1.182 -10.980) 11.056 ======================= Grid point 336 (105/150) ======================= q-point: ( 0.44 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.308 ( 2.374 -2.047 14.982) 15.306 2.549 ( 6.326 -4.633 9.031) 11.960 2.699 ( -2.540 9.122 6.137) 11.283 2.853 ( 2.675 -1.096 -6.577) 7.185 3.116 ( 0.253 0.402 -10.762) 10.773 3.312 ( 4.165 -2.314 5.209) 7.059 3.436 ( -2.974 0.722 1.108) 3.254 3.464 ( -0.692 1.095 -12.885) 12.950 3.805 ( 0.256 2.254 6.009) 6.423 3.922 ( 4.615 0.493 -3.496) 5.810 3.980 ( -1.295 1.348 -0.894) 2.072 4.267 ( 1.857 -1.257 -13.534) 13.718 4.739 ( -1.922 -3.626 1.924) 4.533 4.849 ( -3.947 -1.644 -3.983) 5.844 4.891 ( -0.434 2.585 0.595) 2.687 4.932 ( -5.440 3.803 -0.276) 6.644 5.722 ( -0.236 -1.429 8.703) 8.822 5.927 ( -1.144 -1.242 -1.210) 2.077 6.648 ( 2.434 0.280 3.500) 4.273 6.797 ( 2.408 0.451 -3.381) 4.175 8.474 ( -1.006 -0.652 12.515) 12.572 9.045 ( -0.675 -0.340 -16.032) 16.050 10.656 ( -0.110 2.156 13.994) 14.160 11.171 ( -0.222 0.539 -12.377) 12.390 ======================= Grid point 342 (106/150) ======================= q-point: ( 0.11 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.857 ( 19.320 -0.000 14.982) 24.448 2.426 ( 7.713 -0.000 -9.020) 11.868 2.493 ( 4.800 -0.000 18.912) 19.511 3.104 ( 4.081 -0.000 -6.869) 7.990 3.106 ( 3.432 -0.000 -6.048) 6.954 3.187 ( 0.862 -0.000 -4.831) 4.907 3.319 ( 2.245 -0.000 21.641) 21.757 3.815 ( -0.968 0.000 1.651) 1.914 3.847 ( -5.322 0.000 0.074) 5.323 3.959 ( 1.437 -0.000 0.963) 1.730 4.082 ( 5.116 -0.000 -3.336) 6.108 4.179 ( 0.546 -0.000 -14.196) 14.207 4.561 ( -3.602 0.000 11.172) 11.738 5.004 ( -5.414 0.000 3.951) 6.703 5.065 ( -4.424 0.000 -9.648) 10.614 5.177 ( -2.027 0.000 -2.201) 2.992 5.870 ( -8.689 0.000 0.753) 8.721 5.907 ( -12.072 0.000 -0.715) 12.094 6.534 ( 9.330 -0.000 4.498) 10.357 6.687 ( 9.397 -0.000 -3.378) 9.986 8.448 ( -2.461 0.000 14.709) 14.913 9.022 ( -1.669 0.000 -14.716) 14.810 10.959 ( -0.725 0.000 8.663) 8.693 11.225 ( -0.327 0.000 -5.044) 5.054 ======================= Grid point 343 (107/150) ======================= q-point: ( 0.22 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.142 ( 19.234 -3.124 10.877) 22.316 2.459 ( 4.001 5.874 21.885) 23.010 2.595 ( 9.776 -1.597 -8.745) 13.213 3.093 ( 5.145 3.298 -2.463) 6.589 3.197 ( 1.693 0.120 -5.142) 5.415 3.262 ( 3.723 -6.391 -9.402) 11.963 3.322 ( 1.606 4.013 15.169) 15.773 3.732 ( -6.486 4.168 0.406) 7.721 3.784 ( -4.498 -1.756 1.354) 5.014 4.012 ( 5.099 0.605 -4.148) 6.601 4.085 ( 6.166 5.071 -1.549) 8.132 4.222 ( 2.641 -0.366 -6.400) 6.933 4.560 ( -2.812 -4.327 8.797) 10.199 4.885 ( -10.694 -0.163 0.007) 10.696 5.015 ( -1.757 2.025 -3.028) 4.044 5.138 ( -4.841 -0.399 -3.687) 6.098 5.745 ( -7.539 1.670 1.831) 7.936 5.808 ( -6.325 -2.622 -1.700) 7.055 6.629 ( 6.334 0.716 4.258) 7.666 6.786 ( 6.632 0.649 -3.829) 7.686 8.422 ( -2.872 -1.142 14.466) 14.792 9.006 ( -2.047 -1.074 -15.225) 15.399 10.912 ( -0.689 4.298 9.622) 10.561 11.220 ( -0.375 0.285 -6.232) 6.250 ======================= Grid point 344 (108/150) ======================= q-point: ( 0.33 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.398 ( 7.162 5.361 19.120) 21.109 2.424 ( 12.221 -1.560 11.924) 17.146 2.743 ( 6.454 -2.681 -7.514) 10.262 3.096 ( 2.930 5.582 4.570) 7.786 3.194 ( 1.408 6.726 -13.826) 15.440 3.254 ( 2.558 0.155 11.183) 11.473 3.387 ( 0.362 -4.024 -8.080) 9.034 3.573 ( -5.307 4.853 -1.856) 7.427 3.773 ( -4.305 -3.670 1.622) 5.885 4.007 ( 3.420 3.859 -7.170) 8.831 4.135 ( 3.491 4.820 1.309) 6.094 4.220 ( 2.347 0.742 -3.073) 3.937 4.600 ( -0.985 -3.974 5.335) 6.725 4.811 ( -1.597 -1.776 -1.413) 2.775 4.946 ( -3.931 1.891 -2.049) 4.819 5.054 ( -5.915 1.810 -3.492) 7.104 5.668 ( -2.324 -0.552 4.703) 5.275 5.812 ( -2.539 -4.500 -2.291) 5.652 6.673 ( 2.447 0.967 4.251) 4.999 6.834 ( 2.898 1.099 -3.925) 5.001 8.414 ( -2.341 -2.159 13.875) 14.235 9.004 ( -1.778 -1.715 -15.780) 15.973 10.816 ( -0.429 6.146 11.398) 12.956 11.205 ( -0.260 1.005 -8.599) 8.662 ======================= Grid point 345 (109/150) ======================= q-point: ( 0.44 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.378 ( 5.387 4.200 18.591) 19.806 2.591 ( 6.337 -0.826 6.836) 9.358 2.800 ( -0.296 4.147 0.306) 4.169 2.943 ( 0.763 9.493 1.932) 9.718 3.147 ( 1.203 2.415 -12.603) 12.889 3.323 ( 2.149 -1.472 3.341) 4.236 3.393 ( -2.629 -1.244 4.190) 5.101 3.480 ( -0.791 1.751 -11.596) 11.754 3.780 ( -3.348 -3.016 1.941) 4.906 3.952 ( -9.532 6.618 5.958) 13.044 4.012 ( 3.422 1.795 -5.872) 7.029 4.276 ( 0.757 -0.567 -12.609) 12.645 4.711 ( 7.730 -4.640 3.436) 9.648 4.821 ( -2.133 1.318 -3.927) 4.660 4.905 ( 4.699 0.176 0.311) 4.713 4.961 ( -1.124 3.331 -2.789) 4.487 5.692 ( 0.905 -2.556 6.998) 7.505 5.868 ( -0.427 -4.342 -1.395) 4.581 6.659 ( -2.178 0.933 4.285) 4.896 6.824 ( -1.389 1.431 -3.705) 4.207 8.433 ( -0.798 -2.671 13.163) 13.455 9.017 ( -0.753 -1.864 -16.013) 16.139 10.716 ( -0.174 5.232 13.060) 14.070 11.185 ( 0.088 1.146 -10.939) 10.999 ======================= Grid point 346 (110/150) ======================= q-point: (-0.44 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.370 ( 2.048 5.056 12.972) 14.072 2.576 ( -7.092 7.383 7.356) 12.606 2.660 ( 3.581 2.368 9.798) 10.697 2.866 ( -2.004 3.540 -5.809) 7.091 3.126 ( 0.580 1.423 -10.725) 10.835 3.290 ( -4.571 1.858 6.079) 7.829 3.443 ( 2.179 -2.625 -1.447) 3.705 3.465 ( 0.653 0.129 -11.501) 11.520 3.746 ( -5.323 0.654 7.973) 9.609 3.825 ( -3.874 -4.328 1.840) 6.093 3.986 ( -2.725 3.415 -7.045) 8.290 4.266 ( -0.559 0.017 -14.987) 14.997 4.778 ( -3.077 -2.574 1.969) 4.468 4.908 ( 7.590 2.437 3.162) 8.576 4.934 ( 6.098 -2.747 -5.294) 8.530 5.005 ( 11.818 1.812 -1.494) 12.049 5.742 ( 2.202 -0.747 8.238) 8.560 5.937 ( 2.567 -2.608 -1.335) 3.895 6.588 ( -6.995 0.488 4.152) 8.149 6.754 ( -5.772 1.340 -3.634) 6.951 8.475 ( 0.999 -2.092 12.584) 12.795 9.043 ( 0.483 -1.475 -15.831) 15.907 10.654 ( 0.012 1.930 14.159) 14.290 11.175 ( 0.462 0.432 -12.429) 12.445 ======================= Grid point 347 (111/150) ======================= q-point: (-0.33 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.257 ( -2.819 7.047 15.661) 17.403 2.311 ( -8.455 9.752 13.190) 18.454 2.737 ( -5.312 5.902 -9.209) 12.159 2.782 ( 3.650 -8.845 4.864) 10.734 3.098 ( -1.766 2.428 -4.067) 5.055 3.190 ( -3.589 1.405 3.561) 5.247 3.479 ( 1.312 -0.616 -13.636) 13.713 3.520 ( 1.740 -2.732 -4.066) 5.199 3.725 ( -3.321 -4.455 2.015) 5.911 3.850 ( -4.431 3.974 -6.494) 8.809 3.890 ( -1.597 -5.090 5.233) 7.473 4.271 ( 1.197 0.698 -10.906) 10.994 4.816 ( 0.778 -3.459 3.024) 4.660 4.924 ( 4.084 1.629 1.281) 4.579 5.048 ( 5.314 1.136 -0.616) 5.469 5.141 ( 8.598 -0.106 -2.623) 8.990 5.798 ( 7.380 -0.003 8.165) 11.006 6.024 ( 7.529 -0.196 -2.912) 8.074 6.469 ( -11.040 -0.436 4.008) 11.753 6.636 ( -9.781 0.565 -3.854) 10.528 8.517 ( 1.838 -0.432 12.441) 12.583 9.072 ( 1.121 -0.548 -15.467) 15.517 10.659 ( 0.149 -2.412 14.336) 14.539 11.183 ( 0.581 -0.583 -12.515) 12.542 ======================= Grid point 348 (112/150) ======================= q-point: (-0.22 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.984 ( -8.527 11.674 16.145) 21.672 2.210 ( -0.857 -0.458 23.499) 23.519 2.559 ( -4.601 7.259 -12.892) 15.494 2.962 ( 1.737 -2.919 5.791) 6.714 3.044 ( -2.512 -5.681 -4.068) 7.425 3.170 ( -0.666 -1.096 1.107) 1.694 3.439 ( -0.421 6.645 -13.769) 15.294 3.619 ( 1.262 -7.314 -9.361) 11.947 3.760 ( -2.359 -1.007 0.324) 2.586 3.788 ( -1.349 -4.781 -0.576) 5.001 3.961 ( 0.047 -3.724 4.802) 6.077 4.259 ( 0.784 2.420 -7.582) 7.998 4.880 ( 4.481 2.537 5.643) 7.639 4.936 ( -0.031 -0.013 6.083) 6.083 5.076 ( 1.132 -1.680 -2.483) 3.205 5.199 ( 2.507 1.171 -4.743) 5.491 5.948 ( 12.973 -1.297 5.399) 14.111 6.137 ( 11.647 2.028 -3.882) 12.444 6.327 ( -13.127 -1.779 4.252) 13.913 6.494 ( -12.186 -1.206 -3.783) 12.816 8.531 ( 1.320 1.179 12.915) 13.036 9.085 ( 0.853 0.593 -15.109) 15.145 10.731 ( 0.185 -5.745 13.371) 14.554 11.204 ( 0.365 -1.117 -11.084) 11.146 ======================= Grid point 349 (113/150) ======================= q-point: (-0.11 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.740 ( -0.000 10.168 18.836) 21.405 2.265 ( 0.000 -6.489 27.351) 28.110 2.411 ( -0.000 6.594 -15.501) 16.845 2.954 ( 0.000 -0.100 2.990) 2.992 3.151 ( 0.000 -2.922 -16.871) 17.122 3.217 ( 0.000 -5.784 19.105) 19.961 3.302 ( -0.000 8.632 -13.426) 15.962 3.767 ( 0.000 -1.604 3.098) 3.489 3.771 ( 0.000 -9.632 -8.432) 12.802 3.857 ( 0.000 -4.043 -1.740) 4.402 3.997 ( 0.000 -0.426 2.731) 2.764 4.223 ( -0.000 2.043 -6.547) 6.858 4.787 ( -0.000 8.780 9.764) 13.132 4.982 ( 0.000 -3.355 5.333) 6.301 5.136 ( 0.000 -3.236 -2.070) 3.841 5.189 ( -0.000 1.410 -8.687) 8.800 6.088 ( -0.000 0.081 1.993) 1.994 6.196 ( -0.000 3.454 -3.917) 5.222 6.246 ( 0.000 -3.883 6.127) 7.254 6.426 ( 0.000 -3.198 -2.986) 4.375 8.515 ( -0.000 1.681 13.755) 13.857 9.074 ( -0.000 1.290 -14.775) 14.831 10.836 ( 0.000 -6.583 11.496) 13.247 11.223 ( 0.000 -0.808 -8.597) 8.635 ======================= Grid point 352 (114/150) ======================= q-point: ( 0.22 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.356 ( 16.808 -0.000 7.506) 18.408 2.566 ( 5.207 -0.000 15.298) 16.160 2.709 ( 8.299 -0.000 -2.574) 8.689 3.215 ( 3.206 -0.000 -8.031) 8.648 3.221 ( 2.829 -0.000 2.530) 3.795 3.232 ( 4.774 -0.000 -5.826) 7.532 3.385 ( 1.887 -0.000 15.110) 15.228 3.677 ( -8.065 0.000 0.660) 8.092 3.677 ( -6.858 0.000 1.003) 6.930 4.088 ( 4.240 -0.000 -10.103) 10.957 4.217 ( 1.141 -0.000 1.337) 1.758 4.238 ( 4.490 -0.000 -1.122) 4.629 4.561 ( 8.910 -0.000 5.191) 10.312 4.750 ( -7.805 0.000 2.012) 8.060 5.011 ( -1.919 0.000 -6.316) 6.601 5.044 ( -8.232 0.000 -3.560) 8.969 5.676 ( -4.963 0.000 1.577) 5.207 5.726 ( -2.800 0.000 -1.191) 3.043 6.691 ( 2.318 -0.000 4.282) 4.869 6.851 ( 2.596 -0.000 -4.198) 4.936 8.375 ( -2.745 0.000 14.677) 14.932 8.969 ( -2.143 0.000 -15.383) 15.532 10.940 ( -0.607 0.000 8.981) 9.001 11.218 ( -0.217 0.000 -5.262) 5.266 ======================= Grid point 353 (115/150) ======================= q-point: ( 0.33 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.553 ( 11.861 -0.713 5.083) 12.924 2.592 ( 6.199 5.412 18.679) 20.411 2.801 ( 5.792 -0.207 -3.872) 6.970 3.199 ( 2.314 3.561 -4.054) 5.871 3.272 ( 3.577 -1.133 2.542) 4.532 3.322 ( -2.821 2.852 2.053) 4.506 3.341 ( 1.931 0.337 2.236) 2.974 3.564 ( -5.930 2.537 -0.786) 6.498 3.630 ( -5.216 -4.463 1.864) 7.113 4.071 ( -1.583 3.452 -5.955) 7.063 4.223 ( -1.005 2.872 -2.810) 4.142 4.227 ( -4.161 -0.670 1.104) 4.357 4.653 ( 10.191 2.975 4.432) 11.504 4.827 ( 9.246 -4.942 1.340) 10.569 4.910 ( -3.268 3.260 -5.773) 7.392 5.007 ( -1.998 -1.008 -6.419) 6.798 5.638 ( -1.080 -0.469 3.030) 3.251 5.727 ( -0.696 -2.877 -1.382) 3.267 6.689 ( -1.941 0.571 4.490) 4.925 6.853 ( -1.798 0.335 -4.277) 4.652 8.356 ( -1.948 -1.454 14.469) 14.672 8.955 ( -1.746 -1.361 -15.628) 15.784 10.898 ( -0.326 4.146 9.898) 10.736 11.214 ( -0.056 0.330 -6.298) 6.306 ======================= Grid point 354 (116/150) ======================= q-point: ( 0.44 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.558 ( 6.351 7.536 18.643) 21.088 2.673 ( 5.324 1.362 5.075) 7.481 2.852 ( 2.381 1.107 -2.236) 3.449 3.107 ( -1.400 9.653 8.210) 12.749 3.218 ( 0.611 3.219 -8.966) 9.545 3.319 ( -1.726 2.153 -1.956) 3.382 3.347 ( 0.250 -2.365 5.666) 6.145 3.488 ( -1.272 0.441 -5.652) 5.810 3.655 ( -3.740 -5.196 1.577) 6.593 3.928 ( -9.894 6.328 8.050) 14.239 4.085 ( -0.625 4.070 -6.486) 7.683 4.247 ( -1.978 -1.748 -11.448) 11.749 4.696 ( -4.912 -0.814 2.266) 5.471 4.866 ( 6.940 -0.160 -3.999) 8.011 5.001 ( 5.089 1.362 -1.773) 5.559 5.080 ( 16.867 1.689 -3.724) 17.355 5.670 ( 2.395 -2.473 5.008) 6.078 5.797 ( 1.759 -4.778 -1.141) 5.218 6.622 ( -6.358 1.132 4.956) 8.141 6.794 ( -6.129 0.657 -4.010) 7.353 8.376 ( -0.592 -3.060 13.988) 14.331 8.970 ( -0.797 -2.501 -15.736) 15.953 10.809 ( -0.115 6.023 11.657) 13.122 11.204 ( 0.213 0.889 -8.594) 8.642 ======================= Grid point 355 (117/150) ======================= q-point: (-0.44 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.512 ( 4.212 7.222 14.489) 16.728 2.615 ( -3.372 6.865 7.703) 10.855 2.818 ( 2.767 6.998 4.354) 8.694 2.924 ( -1.949 8.872 2.365) 9.387 3.177 ( 0.999 3.551 -12.357) 12.896 3.251 ( -4.125 0.258 6.486) 7.691 3.407 ( 0.347 -3.774 -1.473) 4.066 3.481 ( 0.560 0.651 -9.090) 9.130 3.698 ( -5.113 -1.477 5.891) 7.939 3.712 ( -3.826 0.457 7.529) 8.458 4.019 ( -2.051 4.217 -8.432) 9.648 4.247 ( -0.703 -1.306 -16.106) 16.174 4.663 ( -4.536 -4.234 4.903) 7.908 4.927 ( 0.283 -1.456 -8.320) 8.451 5.096 ( 11.765 2.490 3.224) 12.450 5.225 ( 12.799 4.160 -3.671) 13.950 5.766 ( 6.021 -2.233 6.532) 9.160 5.930 ( 6.623 -4.888 -1.772) 8.420 6.491 ( -10.374 1.517 5.495) 11.837 6.677 ( -9.552 1.061 -3.818) 10.342 8.435 ( 0.644 -3.939 13.308) 13.893 9.011 ( 0.169 -2.875 -15.537) 15.802 10.714 ( -0.014 5.129 13.428) 14.374 11.193 ( 0.423 0.951 -11.021) 11.070 ======================= Grid point 356 (118/150) ======================= q-point: (-0.33 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.368 ( -3.660 11.141 13.041) 17.538 2.438 ( 0.054 11.213 10.594) 15.426 2.762 ( 3.042 1.569 6.923) 7.723 2.777 ( -3.074 5.877 -5.532) 8.637 3.135 ( -0.327 3.429 -1.323) 3.690 3.176 ( -2.814 1.985 1.144) 3.629 3.473 ( 0.820 -2.194 -9.761) 10.038 3.488 ( 0.163 -2.243 -6.336) 6.723 3.632 ( -2.114 -2.290 4.781) 5.707 3.790 ( -0.128 -5.988 7.135) 9.316 3.890 ( -2.711 6.734 -10.234) 12.548 4.274 ( 0.465 -1.534 -14.135) 14.226 4.716 ( -1.392 -6.446 5.943) 8.878 4.961 ( 1.128 -2.050 -6.458) 6.869 5.146 ( 3.803 4.303 4.022) 7.011 5.283 ( 5.993 3.861 -3.469) 7.928 5.906 ( 11.034 -1.831 7.011) 13.201 6.112 ( 10.300 -3.447 -3.238) 11.334 6.314 ( -12.937 1.322 5.821) 14.248 6.519 ( -11.052 1.804 -4.035) 11.904 8.506 ( 0.879 -3.056 12.614) 13.009 9.059 ( 0.473 -2.234 -15.210) 15.380 10.655 ( 0.030 1.802 14.583) 14.694 11.187 ( 0.349 0.310 -12.583) 12.592 ======================= Grid point 357 (119/150) ======================= q-point: (-0.22 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.136 ( -0.000 12.968 15.349) 20.094 2.269 ( -0.000 8.085 16.884) 18.720 2.648 ( -0.000 7.098 -10.260) 12.476 2.851 ( 0.000 -8.626 1.324) 8.727 3.045 ( -0.000 5.084 9.536) 10.807 3.155 ( 0.000 -0.236 -6.223) 6.227 3.510 ( -0.000 1.166 -9.008) 9.083 3.527 ( 0.000 -4.350 -11.952) 12.719 3.688 ( 0.000 -5.221 1.497) 5.431 3.772 ( -0.000 4.158 -5.381) 6.801 3.885 ( 0.000 -5.450 6.868) 8.767 4.289 ( -0.000 0.408 -11.157) 11.164 4.817 ( 0.000 -6.520 5.593) 8.590 5.020 ( 0.000 -3.433 -4.818) 5.916 5.068 ( -0.000 7.225 6.727) 9.872 5.259 ( -0.000 3.249 -3.932) 5.100 6.094 ( 0.000 -4.863 5.728) 7.514 6.130 ( -0.000 2.976 6.143) 6.826 6.290 ( 0.000 -4.847 -3.770) 6.140 6.353 ( -0.000 4.906 -4.675) 6.776 8.544 ( 0.000 -0.788 12.400) 12.425 9.088 ( 0.000 -0.856 -15.062) 15.087 10.662 ( 0.000 -2.533 14.598) 14.816 11.192 ( 0.000 -0.595 -12.617) 12.631 ======================= Grid point 362 (120/150) ======================= q-point: ( 0.33 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.685 ( 8.953 -0.000 3.013) 9.446 2.718 ( 6.341 -0.000 14.146) 15.502 2.867 ( 3.904 -0.000 -0.735) 3.973 3.261 ( 1.677 -0.000 -3.647) 4.014 3.288 ( -2.132 0.000 0.874) 2.304 3.292 ( -1.488 0.000 -0.967) 1.775 3.362 ( -0.541 0.000 17.802) 17.810 3.479 ( -5.089 0.000 -0.894) 5.167 3.580 ( -0.323 0.000 -3.537) 3.551 4.067 ( -6.970 0.000 1.659) 7.165 4.133 ( -4.682 0.000 4.296) 6.354 4.217 ( -2.252 0.000 -10.280) 10.524 4.723 ( -8.428 0.000 -0.887) 8.475 4.870 ( 7.093 -0.000 -2.287) 7.453 5.001 ( 7.566 -0.000 -4.786) 8.953 5.104 ( 21.641 -0.000 -4.053) 22.018 5.630 ( 0.978 -0.000 3.115) 3.265 5.708 ( 1.459 -0.000 -0.589) 1.573 6.641 ( -6.189 0.000 4.529) 7.669 6.800 ( -6.730 0.000 -4.304) 7.988 8.322 ( -1.250 0.000 14.606) 14.659 8.922 ( -1.427 0.000 -15.449) 15.515 10.931 ( -0.106 0.000 9.338) 9.339 11.215 ( 0.033 -0.000 -5.238) 5.238 ======================= Grid point 363 (121/150) ======================= q-point: ( 0.44 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.748 ( 5.336 5.052 11.862) 13.953 2.767 ( 4.613 2.496 6.635) 8.457 2.895 ( 1.707 0.765 -1.092) 2.166 3.192 ( -4.204 3.326 7.126) 8.917 3.240 ( 0.472 3.087 -1.776) 3.592 3.293 ( -2.658 -3.100 2.045) 4.567 3.379 ( 1.071 2.061 3.797) 4.450 3.457 ( -0.768 -1.463 1.674) 2.352 3.576 ( -0.290 -0.458 -4.645) 4.677 3.906 ( -8.346 5.392 9.468) 13.725 4.095 ( -3.394 -0.399 0.789) 3.507 4.205 ( -0.091 -0.457 -15.356) 15.363 4.606 ( -7.469 0.349 0.215) 7.480 4.891 ( -0.741 -0.542 -11.732) 11.768 5.165 ( 13.948 1.209 3.181) 14.357 5.352 ( 16.348 2.803 -5.733) 17.549 5.690 ( 7.425 -1.655 4.358) 8.767 5.776 ( 5.629 -3.391 -0.122) 6.573 6.531 ( -9.737 0.689 4.805) 10.880 6.686 ( -10.958 -0.237 -3.851) 11.617 8.327 ( -0.388 -1.963 14.447) 14.585 8.922 ( -0.738 -1.870 -15.343) 15.474 10.894 ( 0.011 4.157 10.220) 11.033 11.215 ( 0.142 0.182 -6.207) 6.211 ======================= Grid point 364 (122/150) ======================= q-point: ( 0.56 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.681 ( 0.558 8.109 9.788) 12.723 2.720 ( 2.042 7.315 12.855) 14.931 2.888 ( -0.068 1.891 -2.531) 3.160 3.102 ( 2.041 8.394 9.695) 12.986 3.194 ( -2.808 -0.148 4.819) 5.579 3.280 ( -0.052 7.700 -9.431) 12.176 3.331 ( -1.256 -4.545 -0.983) 4.817 3.490 ( 0.546 -0.993 -0.932) 1.467 3.607 ( -0.237 -3.902 0.136) 3.912 3.717 ( -4.965 6.068 10.764) 13.317 4.056 ( -1.125 2.170 -5.495) 6.014 4.216 ( -0.316 -1.156 -16.809) 16.852 4.549 ( -3.503 -2.702 4.317) 6.180 4.899 ( -0.559 -1.530 -11.804) 11.916 5.268 ( 6.853 3.099 3.388) 8.249 5.424 ( 5.847 4.268 -4.404) 8.474 5.841 ( 9.981 -1.592 4.632) 11.119 5.966 ( 11.218 -4.719 -1.850) 12.310 6.376 ( -10.744 1.658 5.783) 12.314 6.541 ( -11.564 -0.594 -3.246) 12.026 8.374 ( 0.189 -3.879 14.069) 14.595 8.960 ( -0.086 -3.225 -15.249) 15.586 10.808 ( 0.012 6.041 11.981) 13.418 11.211 ( 0.189 0.669 -8.592) 8.620 ======================= Grid point 365 (123/150) ======================= q-point: (-0.33 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.523 ( -0.000 10.476 11.109) 15.270 2.607 ( -0.000 8.572 11.769) 14.560 2.835 ( -0.000 4.045 -4.645) 6.160 2.920 ( -0.000 13.237 11.391) 17.463 3.177 ( -0.000 0.856 7.732) 7.779 3.193 ( -0.000 3.307 -11.777) 12.232 3.405 ( 0.000 -5.059 -2.171) 5.505 3.489 ( -0.000 0.818 -9.599) 9.633 3.613 ( -0.000 2.199 8.456) 8.737 3.691 ( 0.000 -5.931 6.160) 8.551 3.981 ( -0.000 5.859 -10.021) 11.608 4.243 ( 0.000 -2.249 -16.183) 16.339 4.601 ( 0.000 -5.849 6.760) 8.939 4.927 ( 0.000 -2.268 -9.733) 9.993 5.247 ( -0.000 4.345 3.817) 5.784 5.391 ( -0.000 4.403 -3.847) 5.847 5.962 ( 0.000 -2.970 4.664) 5.529 6.133 ( 0.000 -4.509 -3.564) 5.748 6.245 ( -0.000 3.144 7.546) 8.175 6.449 ( -0.000 0.678 -3.235) 3.306 8.447 ( 0.000 -4.497 13.363) 14.100 9.015 ( 0.000 -3.318 -15.156) 15.515 10.714 ( -0.000 5.114 13.673) 14.598 11.199 ( -0.000 0.827 -11.086) 11.117 ======================= Grid point 372 (124/150) ======================= q-point: ( 0.44 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.828 ( 2.320 -0.000 1.465) 2.744 2.864 ( 4.049 -0.000 12.270) 12.921 2.913 ( -0.061 0.000 1.428) 1.429 3.181 ( -2.632 0.000 5.615) 6.201 3.192 ( -3.155 0.000 3.954) 5.058 3.296 ( 0.789 -0.000 -1.784) 1.951 3.398 ( 1.136 -0.000 13.822) 13.869 3.439 ( 0.061 -0.000 -4.271) 4.272 3.590 ( 0.361 -0.000 -5.505) 5.516 3.870 ( -5.076 0.000 10.947) 12.067 4.039 ( -2.096 0.000 3.755) 4.300 4.209 ( 0.231 -0.000 -16.319) 16.320 4.529 ( -4.482 0.000 -0.594) 4.521 4.871 ( -1.016 0.000 -14.657) 14.692 5.325 ( 7.813 -0.000 3.602) 8.603 5.506 ( 4.031 -0.000 -4.463) 6.014 5.834 ( 8.012 -0.000 2.102) 8.284 5.854 ( 17.116 -0.000 0.771) 17.133 6.404 ( -10.007 0.000 4.195) 10.850 6.518 ( -13.411 0.000 -3.028) 13.748 8.307 ( -0.139 0.000 14.513) 14.514 8.898 ( -0.411 0.000 -15.069) 15.075 10.931 ( 0.056 -0.000 9.566) 9.566 11.217 ( 0.060 -0.000 -5.080) 5.080 ======================= Grid point 373 (125/150) ======================= q-point: (-0.44 -0.56 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.794 ( -0.000 5.475 4.042) 6.805 2.850 ( -0.000 5.263 15.560) 16.426 2.906 ( -0.000 0.549 -2.072) 2.144 3.142 ( 0.000 -0.194 6.046) 6.049 3.239 ( 0.000 -4.998 2.056) 5.405 3.249 ( -0.000 5.438 1.632) 5.678 3.393 ( -0.000 3.584 2.238) 4.226 3.462 ( 0.000 -2.145 3.332) 3.963 3.576 ( -0.000 0.378 -6.523) 6.534 3.782 ( -0.000 5.619 11.770) 13.042 4.048 ( 0.000 -1.647 0.786) 1.825 4.208 ( -0.000 0.126 -16.945) 16.946 4.500 ( 0.000 -0.397 1.123) 1.191 4.872 ( 0.000 -1.008 -14.375) 14.410 5.357 ( -0.000 2.087 3.260) 3.870 5.509 ( -0.000 2.208 -3.541) 4.173 5.907 ( 0.000 -0.581 3.523) 3.571 6.019 ( 0.000 -2.134 -2.064) 2.969 6.313 ( -0.000 1.257 4.595) 4.764 6.418 ( 0.000 -1.700 -2.190) 2.772 8.324 ( 0.000 -2.219 14.427) 14.597 8.914 ( 0.000 -2.137 -15.054) 15.205 10.895 ( -0.000 4.197 10.366) 11.184 11.218 ( -0.000 0.075 -6.137) 6.137 ======================= Grid point 415 (126/150) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.943 ( 0.000 0.000 -19.076) 19.076 1.943 ( 0.000 0.000 19.077) 19.077 2.878 ( 0.000 0.000 -19.551) 19.551 2.878 ( 0.000 0.000 19.551) 19.551 2.989 ( 0.000 0.000 -0.449) 0.449 2.989 ( 0.000 0.000 0.449) 0.449 3.800 ( 0.000 0.000 -23.184) 23.184 3.800 ( 0.000 0.000 23.184) 23.184 3.867 ( 0.000 0.000 -3.215) 3.215 3.867 ( 0.000 0.000 3.215) 3.215 3.982 ( 0.000 0.000 -1.032) 1.032 3.982 ( 0.000 0.000 1.032) 1.032 4.882 ( 0.000 0.000 -14.811) 14.811 4.882 ( 0.000 0.000 14.811) 14.811 5.136 ( 0.000 0.000 -4.248) 4.248 5.136 ( 0.000 0.000 4.248) 4.248 6.114 ( 0.000 0.000 -1.886) 1.886 6.114 ( 0.000 0.000 1.886) 1.886 6.415 ( 0.000 0.000 -4.317) 4.317 6.415 ( 0.000 0.000 4.317) 4.317 8.767 ( 0.000 0.000 -14.617) 14.617 8.767 ( 0.000 0.000 14.617) 14.617 11.118 ( 0.000 0.000 -6.806) 6.806 11.118 ( 0.000 0.000 6.806) 6.806 ======================= Grid point 417 (127/150) ======================= q-point: ( 0.11 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.038 ( 8.281 -4.500 -17.648) 20.007 2.038 ( 8.281 -4.500 17.648) 20.007 2.849 ( 0.818 4.061 -20.808) 21.216 2.849 ( 0.818 4.062 20.808) 21.216 3.024 ( 1.969 -2.740 -5.062) 6.083 3.024 ( 1.969 -2.740 5.062) 6.083 3.703 ( -0.802 8.961 -16.827) 19.081 3.703 ( -0.801 8.961 16.827) 19.081 3.861 ( 0.822 1.380 -2.985) 3.390 3.861 ( 0.822 1.380 2.985) 3.390 4.036 ( 0.328 -4.067 -5.194) 6.605 4.036 ( 0.328 -4.067 5.194) 6.605 4.892 ( -3.413 -3.530 -13.358) 14.232 4.892 ( -3.413 -3.530 13.358) 14.232 5.119 ( -0.372 1.554 -4.298) 4.585 5.119 ( -0.372 1.554 4.298) 4.585 6.028 ( -10.692 0.086 -1.984) 10.875 6.028 ( -10.692 0.086 1.984) 10.875 6.480 ( 9.830 1.448 -4.148) 10.768 6.480 ( 9.830 1.448 4.148) 10.768 8.765 ( -1.259 -0.806 -14.740) 14.816 8.765 ( -1.259 -0.806 14.740) 14.816 11.095 ( -0.331 2.445 -7.843) 8.222 11.095 ( -0.331 2.445 7.843) 8.222 ======================= Grid point 419 (128/150) ======================= q-point: ( 0.22 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.270 ( 11.844 -6.766 -14.393) 19.830 2.270 ( 11.844 -6.766 14.393) 19.830 2.776 ( 1.538 6.444 -22.722) 23.669 2.776 ( 1.538 6.444 22.723) 23.669 3.119 ( 3.143 -4.226 -9.208) 10.608 3.119 ( 3.143 -4.226 9.208) 10.608 3.531 ( -1.203 9.707 -13.381) 16.575 3.531 ( -1.203 9.707 13.381) 16.575 3.847 ( 1.635 2.090 -2.136) 3.406 3.847 ( 1.635 2.090 2.136) 3.407 4.087 ( 0.718 -1.168 -6.192) 6.342 4.087 ( 0.718 -1.167 6.192) 6.342 4.881 ( -6.763 -2.529 -8.438) 11.106 4.881 ( -6.763 -2.529 8.438) 11.106 5.087 ( -1.655 0.881 -5.147) 5.478 5.087 ( -1.655 0.881 5.147) 5.478 5.893 ( -9.438 -0.944 -3.355) 10.061 5.893 ( -9.438 -0.943 3.355) 10.061 6.587 ( 9.830 1.568 -4.121) 10.773 6.587 ( 9.830 1.568 4.121) 10.773 8.760 ( -2.119 -1.187 -14.954) 15.150 8.760 ( -2.119 -1.187 14.954) 15.150 11.036 ( -0.509 3.850 -10.058) 10.782 11.036 ( -0.509 3.850 10.058) 10.782 ======================= Grid point 421 (129/150) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.524 ( 9.769 -6.214 -11.002) 15.972 2.524 ( 9.769 -6.214 11.002) 15.972 2.690 ( 1.966 6.462 -20.996) 22.056 2.690 ( 1.966 6.463 20.996) 22.056 3.195 ( 0.501 0.084 -12.216) 12.227 3.195 ( 0.501 0.084 12.216) 12.227 3.408 ( 0.959 2.992 -9.705) 10.201 3.408 ( 0.959 2.992 9.705) 10.201 3.847 ( 3.049 1.168 -0.914) 3.390 3.847 ( 3.049 1.168 0.914) 3.390 4.088 ( 0.609 2.278 -6.506) 6.920 4.088 ( 0.608 2.278 6.506) 6.920 4.816 ( -6.859 -1.445 -4.695) 8.436 4.816 ( -6.858 -1.445 4.695) 8.436 5.022 ( -5.102 2.040 -4.012) 6.803 5.022 ( -5.102 2.040 4.012) 6.803 5.842 ( -3.723 -3.011 -5.494) 7.287 5.842 ( -3.723 -3.011 5.494) 7.287 6.674 ( 6.877 1.090 -4.125) 8.093 6.675 ( 6.877 1.089 4.125) 8.093 8.750 ( -2.073 -0.998 -15.069) 15.244 8.750 ( -2.073 -0.998 15.069) 15.244 10.968 ( -0.451 3.500 -12.187) 12.688 10.968 ( -0.451 3.500 12.187) 12.688 ======================= Grid point 423 (130/150) ======================= q-point: ( 0.44 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.618 ( 0.617 2.414 -14.708) 14.918 2.618 ( 0.617 2.414 14.708) 14.918 2.705 ( 4.262 -2.226 -5.516) 7.318 2.705 ( 4.262 -2.227 5.516) 7.318 3.151 ( -0.982 1.985 -12.884) 13.073 3.151 ( -0.982 1.985 12.884) 13.073 3.427 ( 0.962 -0.826 -4.075) 4.268 3.427 ( 0.962 -0.826 4.075) 4.268 3.901 ( 3.686 -1.954 -1.248) 4.354 3.901 ( 3.685 -1.954 1.247) 4.354 4.030 ( -1.236 3.839 -9.037) 9.896 4.030 ( -1.236 3.839 9.038) 9.897 4.780 ( -2.951 -2.070 -2.751) 4.535 4.780 ( -2.951 -2.070 2.751) 4.535 4.917 ( -3.174 2.619 -1.363) 4.335 4.917 ( -3.175 2.619 1.363) 4.335 5.862 ( -0.548 -1.739 -5.519) 5.812 5.862 ( -0.548 -1.739 5.519) 5.812 6.724 ( 2.473 0.386 -4.085) 4.790 6.724 ( 2.473 0.386 4.085) 4.790 8.741 ( -0.879 -0.383 -15.091) 15.121 8.741 ( -0.879 -0.383 15.091) 15.121 10.922 ( -0.179 1.414 -13.449) 13.524 10.922 ( -0.179 1.414 13.449) 13.524 ======================= Grid point 435 (131/150) ======================= q-point: ( 0.11 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.150 ( 13.728 -0.000 -15.192) 20.475 2.150 ( 13.728 -0.000 15.192) 20.475 2.902 ( 1.922 -0.000 -18.897) 18.994 2.902 ( 1.922 -0.000 18.897) 18.994 3.039 ( 3.850 -0.000 -0.213) 3.856 3.039 ( 3.850 -0.000 0.213) 3.856 3.785 ( -0.645 0.000 -17.611) 17.623 3.785 ( -0.645 0.000 17.611) 17.623 3.849 ( -3.392 0.000 -2.623) 4.287 3.849 ( -3.392 0.000 2.623) 4.287 4.029 ( 5.456 -0.000 -1.580) 5.681 4.029 ( 5.457 -0.000 1.580) 5.681 4.807 ( -5.177 0.000 -13.619) 14.570 4.807 ( -5.177 0.000 13.619) 14.570 5.112 ( -2.555 0.000 -4.356) 5.050 5.112 ( -2.555 0.000 4.356) 5.050 5.888 ( -10.484 0.000 -1.071) 10.539 5.888 ( -10.484 0.000 1.071) 10.539 6.616 ( 9.045 -0.000 -4.002) 9.891 6.616 ( 9.045 -0.000 4.002) 9.891 8.735 ( -2.213 0.000 -14.972) 15.135 8.735 ( -2.213 0.000 14.972) 15.135 11.110 ( -0.529 0.000 -6.961) 6.981 11.110 ( -0.529 0.000 6.961) 6.981 ======================= Grid point 437 (132/150) ======================= q-point: ( 0.22 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.361 ( 13.771 -3.009 -11.564) 18.232 2.361 ( 13.771 -3.009 11.564) 18.232 2.896 ( 2.872 4.288 -19.310) 19.988 2.896 ( 2.872 4.288 19.310) 19.988 3.120 ( 5.128 -2.308 -4.496) 7.200 3.120 ( 5.128 -2.308 4.496) 7.200 3.660 ( -2.917 8.804 -11.135) 14.492 3.660 ( -2.917 8.804 11.135) 14.492 3.849 ( -1.928 -2.146 -7.219) 7.774 3.849 ( -1.928 -2.146 7.219) 7.774 4.122 ( 6.935 0.184 -3.695) 7.860 4.122 ( 6.935 0.183 3.695) 7.860 4.756 ( -5.734 -2.098 -10.324) 11.995 4.756 ( -5.734 -2.098 10.324) 11.995 5.057 ( -5.014 0.527 -4.485) 6.748 5.057 ( -5.014 0.527 4.485) 6.748 5.776 ( -6.796 -0.620 -1.547) 6.998 5.776 ( -6.796 -0.620 1.547) 6.998 6.710 ( 6.343 0.699 -4.082) 7.576 6.710 ( 6.343 0.699 4.083) 7.576 8.711 ( -2.599 -0.879 -15.320) 15.564 8.711 ( -2.599 -0.879 15.320) 15.564 11.082 ( -0.521 2.430 -8.022) 8.399 11.082 ( -0.521 2.430 8.022) 8.399 ======================= Grid point 439 (133/150) ======================= q-point: ( 0.33 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.572 ( 9.692 -3.495 -8.010) 13.050 2.572 ( 9.692 -3.495 8.010) 13.050 2.846 ( 3.827 6.912 -20.024) 21.527 2.846 ( 3.827 6.912 20.024) 21.527 3.215 ( 3.460 -0.853 -7.816) 8.590 3.215 ( 3.460 -0.853 7.816) 8.590 3.482 ( -2.582 6.954 -8.841) 11.541 3.482 ( -2.581 6.954 8.841) 11.541 3.857 ( -0.944 -1.454 -6.980) 7.192 3.857 ( -0.944 -1.453 6.980) 7.192 4.166 ( 3.378 3.627 -2.181) 5.415 4.166 ( 3.377 3.627 2.181) 5.415 4.723 ( -2.332 -1.011 -6.482) 6.963 4.723 ( -2.331 -1.011 6.482) 6.963 4.979 ( -5.274 0.375 -3.819) 6.522 4.979 ( -5.274 0.375 3.819) 6.522 5.750 ( -2.095 -3.318 -3.856) 5.501 5.750 ( -2.095 -3.318 3.856) 5.501 6.756 ( 2.730 1.019 -4.240) 5.145 6.756 ( 2.730 1.019 4.240) 5.145 8.700 ( -2.118 -1.607 -15.545) 15.771 8.700 ( -2.118 -1.607 15.545) 15.771 11.024 ( -0.320 3.795 -10.128) 10.821 11.024 ( -0.320 3.795 10.128) 10.821 ======================= Grid point 441 (134/150) ======================= q-point: ( 0.44 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.684 ( 3.058 1.551 -4.935) 6.009 2.684 ( 3.058 1.551 4.935) 6.010 2.788 ( 4.200 5.729 -10.505) 12.681 2.788 ( 4.199 5.729 10.504) 12.680 3.192 ( -0.456 4.169 -12.391) 13.082 3.192 ( -0.455 4.169 12.391) 13.082 3.418 ( -0.672 -0.381 -2.257) 2.386 3.418 ( -0.672 -0.380 2.257) 2.386 3.885 ( 0.091 -2.703 -7.483) 7.957 3.885 ( 0.091 -2.702 7.483) 7.956 4.075 ( -4.481 5.786 -7.642) 10.581 4.075 ( -4.481 5.785 7.643) 10.581 4.763 ( 4.732 -1.732 -2.411) 5.586 4.763 ( 4.732 -1.732 2.411) 5.586 4.922 ( -0.509 1.435 -1.498) 2.136 4.922 ( -0.509 1.435 1.498) 2.136 5.808 ( 0.257 -4.254 -4.773) 6.399 5.808 ( 0.257 -4.254 4.773) 6.399 6.745 ( -1.625 1.251 -4.394) 4.849 6.745 ( -1.625 1.251 4.394) 4.849 8.710 ( -0.723 -1.984 -15.420) 15.564 8.710 ( -0.723 -1.984 15.420) 15.564 10.961 ( -0.005 3.386 -12.231) 12.691 10.961 ( -0.005 3.386 12.231) 12.691 ======================= Grid point 443 (135/150) ======================= q-point: (-0.44 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.634 ( 0.309 4.509 -10.709) 11.624 2.634 ( 0.309 4.509 10.709) 11.624 2.727 ( -2.042 5.537 -4.702) 7.545 2.727 ( -2.042 5.536 4.702) 7.545 3.153 ( 1.304 0.491 -12.850) 12.925 3.153 ( 1.304 0.491 12.850) 12.926 3.415 ( -1.754 -0.297 -4.694) 5.020 3.415 ( -1.754 -0.297 4.694) 5.020 3.869 ( -6.267 2.974 -4.902) 8.494 3.869 ( -6.267 2.974 4.902) 8.494 3.987 ( 0.168 -2.814 -12.920) 13.224 3.987 ( 0.168 -2.814 12.921) 13.224 4.835 ( 0.937 -1.590 -4.026) 4.429 4.835 ( 0.937 -1.590 4.026) 4.429 4.969 ( 10.498 0.634 -2.391) 10.786 4.969 ( 10.498 0.634 2.391) 10.786 5.874 ( 2.013 -1.996 -5.199) 5.921 5.874 ( 2.013 -1.996 5.199) 5.922 6.674 ( -6.251 1.134 -4.528) 7.801 6.674 ( -6.251 1.134 4.528) 7.801 8.742 ( 0.862 -1.652 -14.999) 15.114 8.742 ( 0.862 -1.652 14.999) 15.114 10.923 ( 0.289 1.265 -13.591) 13.653 10.923 ( 0.289 1.265 13.591) 13.653 ======================= Grid point 445 (136/150) ======================= q-point: (-0.33 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.525 ( -6.968 7.439 -10.055) 14.318 2.525 ( -6.968 7.438 10.055) 14.318 2.623 ( -0.174 0.391 -15.012) 15.018 2.623 ( -0.174 0.391 15.012) 15.018 3.196 ( 2.442 -1.495 -13.193) 13.500 3.196 ( 2.442 -1.495 13.193) 13.500 3.367 ( -3.389 1.329 -9.940) 10.586 3.367 ( -3.389 1.329 9.940) 10.586 3.773 ( -4.168 -0.987 -2.701) 5.064 3.773 ( -4.168 -0.986 2.701) 5.064 4.053 ( 0.975 -3.050 -10.722) 11.190 4.053 ( 0.975 -3.050 10.722) 11.190 4.884 ( 2.756 -2.173 -3.660) 5.071 4.884 ( 2.756 -2.173 3.660) 5.071 5.087 ( 7.382 1.053 -2.987) 8.032 5.087 ( 7.382 1.053 2.987) 8.032 5.938 ( 6.780 0.398 -6.041) 9.090 5.938 ( 6.780 0.398 6.041) 9.090 6.554 ( -10.338 0.215 -4.555) 11.299 6.554 ( -10.338 0.215 4.555) 11.299 8.778 ( 1.598 -0.583 -14.623) 14.722 8.778 ( 1.598 -0.583 14.623) 14.722 10.931 ( 0.416 -1.544 -13.664) 13.757 10.931 ( 0.416 -1.544 13.664) 13.757 ======================= Grid point 447 (137/150) ======================= q-point: (-0.22 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.287 ( -6.113 9.735 -15.042) 18.932 2.287 ( -6.113 9.735 15.042) 18.932 2.666 ( -0.313 -5.058 -22.770) 23.327 2.666 ( -0.313 -5.058 22.770) 23.327 3.175 ( -0.636 5.561 -12.452) 13.652 3.175 ( -0.636 5.561 12.452) 13.652 3.391 ( -0.304 -7.907 -13.097) 15.301 3.391 ( -0.304 -7.907 13.097) 15.301 3.778 ( -1.503 -3.197 -0.886) 3.642 3.778 ( -1.503 -3.197 0.886) 3.642 4.095 ( 0.520 -0.766 -8.395) 8.446 4.095 ( 0.520 -0.766 8.395) 8.446 4.972 ( 4.419 -2.379 -3.424) 6.075 4.972 ( 4.419 -2.379 3.424) 6.075 5.099 ( 0.058 3.024 -5.349) 6.145 5.099 ( 0.058 3.024 5.349) 6.145 6.049 ( 11.838 1.201 -5.019) 12.914 6.049 ( 11.838 1.201 5.019) 12.914 6.413 ( -12.449 -1.750 -4.500) 13.352 6.413 ( -12.449 -1.750 4.500) 13.352 8.797 ( 1.160 0.579 -14.534) 14.591 8.797 ( 1.160 0.579 14.534) 14.591 10.979 ( 0.301 -3.573 -12.325) 12.836 10.979 ( 0.301 -3.573 12.325) 12.836 ======================= Grid point 449 (138/150) ======================= q-point: (-0.11 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.092 ( -0.000 8.407 -17.527) 19.439 2.092 ( -0.000 8.407 17.527) 19.439 2.758 ( 0.000 -6.071 -23.369) 24.145 2.758 ( 0.000 -6.072 23.369) 24.145 3.076 ( -0.000 5.079 -9.440) 10.719 3.076 ( -0.000 5.079 9.440) 10.719 3.546 ( 0.000 -10.340 -14.607) 17.897 3.546 ( 0.000 -10.340 14.607) 17.897 3.819 ( 0.000 -2.761 -2.268) 3.574 3.819 ( 0.000 -2.761 2.268) 3.574 4.089 ( -0.000 2.020 -6.368) 6.681 4.089 ( -0.000 2.020 6.368) 6.681 4.999 ( -0.000 5.905 -10.995) 12.481 4.999 ( -0.000 5.905 10.995) 12.481 5.074 ( 0.000 -3.617 -4.147) 5.503 5.074 ( 0.000 -3.617 4.147) 5.503 6.131 ( -0.000 1.768 -2.730) 3.252 6.131 ( -0.000 1.768 2.730) 3.252 6.351 ( 0.000 -3.675 -4.740) 5.998 6.351 ( 0.000 -3.675 4.740) 5.998 8.790 ( -0.000 1.107 -14.618) 14.660 8.790 ( -0.000 1.107 14.618) 14.660 11.044 ( 0.000 -3.872 -10.060) 10.779 11.044 ( 0.000 -3.872 10.060) 10.779 ======================= Grid point 455 (139/150) ======================= q-point: ( 0.22 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.507 ( 12.008 -0.000 -8.019) 14.439 2.507 ( 12.008 -0.000 8.019) 14.439 2.974 ( 3.464 -0.000 -16.405) 16.767 2.974 ( 3.464 -0.000 16.405) 16.767 3.173 ( 5.744 -0.000 -0.089) 5.745 3.173 ( 5.744 -0.000 0.089) 5.745 3.684 ( -7.622 0.000 -0.367) 7.631 3.684 ( -7.622 0.000 0.367) 7.631 3.795 ( 0.490 -0.000 -19.065) 19.071 3.795 ( 0.490 -0.000 19.065) 19.071 4.231 ( 6.664 -0.000 -0.259) 6.669 4.231 ( 6.665 -0.000 0.259) 6.670 4.697 ( 0.706 -0.000 -7.334) 7.368 4.697 ( 0.706 -0.000 7.334) 7.368 4.976 ( -7.690 0.000 -2.673) 8.142 4.976 ( -7.691 0.000 2.674) 8.142 5.701 ( -3.651 0.000 -1.230) 3.852 5.701 ( -3.651 0.000 1.230) 3.852 6.772 ( 2.387 -0.000 -4.102) 4.747 6.772 ( 2.388 -0.000 4.103) 4.747 8.669 ( -2.546 0.000 -15.608) 15.815 8.669 ( -2.546 0.000 15.608) 15.815 11.097 ( -0.363 0.000 -7.259) 7.268 11.097 ( -0.363 0.000 7.259) 7.268 ======================= Grid point 457 (140/150) ======================= q-point: ( 0.33 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.655 ( 8.666 -1.212 -5.169) 10.163 2.655 ( 8.666 -1.212 5.169) 10.163 2.987 ( 3.769 3.957 -15.759) 16.679 2.987 ( 3.769 3.957 15.759) 16.679 3.250 ( 3.833 -0.881 -2.473) 4.646 3.250 ( 3.833 -0.881 2.473) 4.646 3.536 ( -6.151 5.236 -3.681) 8.877 3.536 ( -6.150 5.236 3.681) 8.877 3.815 ( -0.246 -1.260 -15.748) 15.800 3.815 ( -0.246 -1.260 15.748) 15.800 4.234 ( -2.832 2.825 -1.242) 4.189 4.234 ( -2.833 2.826 1.242) 4.189 4.767 ( 7.669 1.840 -6.825) 10.430 4.767 ( 7.670 1.840 6.825) 10.430 4.900 ( -2.805 -2.449 -4.391) 5.757 4.900 ( -2.804 -2.449 4.391) 5.757 5.689 ( -0.491 -1.965 -2.395) 3.136 5.689 ( -0.491 -1.965 2.395) 3.136 6.773 ( -1.800 0.352 -4.207) 4.589 6.773 ( -1.799 0.352 4.207) 4.589 8.650 ( -1.860 -1.219 -15.793) 15.949 8.650 ( -1.860 -1.219 15.793) 15.949 11.073 ( -0.120 2.397 -8.245) 8.587 11.073 ( -0.120 2.397 8.245) 8.587 ======================= Grid point 459 (141/150) ======================= q-point: ( 0.44 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.750 ( 4.375 0.695 -3.274) 5.509 2.750 ( 4.375 0.695 3.274) 5.509 2.948 ( 3.469 6.664 -15.436) 17.167 2.949 ( 3.469 6.664 15.436) 17.167 3.260 ( 0.043 3.446 -7.063) 7.859 3.260 ( 0.044 3.446 7.063) 7.859 3.405 ( -2.964 2.149 -0.903) 3.771 3.405 ( -2.963 2.149 0.904) 3.770 3.838 ( -0.062 -2.286 -13.692) 13.882 3.838 ( -0.062 -2.286 13.692) 13.881 4.091 ( -7.349 5.610 -6.489) 11.295 4.091 ( -7.349 5.610 6.489) 11.295 4.768 ( -2.436 -1.179 -4.974) 5.662 4.768 ( -2.436 -1.179 4.974) 5.662 5.018 ( 13.638 0.947 -2.569) 13.910 5.018 ( 13.637 0.947 2.569) 13.909 5.752 ( 2.328 -4.063 -3.414) 5.795 5.752 ( 2.328 -4.063 3.414) 5.795 6.713 ( -6.040 0.786 -4.459) 7.548 6.713 ( -6.040 0.786 4.459) 7.548 8.664 ( -0.601 -2.510 -15.701) 15.911 8.664 ( -0.601 -2.510 15.701) 15.911 11.022 ( 0.122 3.704 -10.331) 10.976 11.022 ( 0.122 3.704 10.331) 10.976 ======================= Grid point 461 (142/150) ======================= q-point: (-0.44 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.727 ( -0.015 5.407 -2.773) 6.077 2.727 ( -0.015 5.407 2.773) 6.077 2.845 ( 0.870 9.658 -10.253) 14.113 2.845 ( 0.870 9.658 10.254) 14.113 3.201 ( 1.493 3.050 -12.639) 13.087 3.201 ( 1.493 3.050 12.639) 13.087 3.372 ( -2.532 -1.308 -4.694) 5.492 3.372 ( -2.532 -1.308 4.694) 5.492 3.853 ( -3.612 2.984 -8.606) 9.799 3.853 ( -3.612 2.984 8.606) 9.799 3.941 ( -2.094 -1.021 -14.770) 14.952 3.941 ( -2.095 -1.021 14.770) 14.952 4.779 ( -1.883 -3.581 -6.950) 8.042 4.779 ( -1.883 -3.581 6.950) 8.042 5.158 ( 12.090 2.972 -3.297) 12.879 5.158 ( 12.090 2.971 3.297) 12.879 5.871 ( 5.891 -3.876 -4.295) 8.257 5.871 ( 5.891 -3.876 4.295) 8.257 6.593 ( -9.628 1.398 -4.935) 10.909 6.593 ( -9.628 1.398 4.935) 10.909 8.712 ( 0.543 -3.143 -15.209) 15.540 8.712 ( 0.543 -3.143 15.209) 15.540 10.966 ( 0.266 3.253 -12.522) 12.940 10.966 ( 0.266 3.253 12.522) 12.940 ======================= Grid point 463 (143/150) ======================= q-point: (-0.33 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.595 ( -2.376 8.414 -8.827) 12.424 2.595 ( -2.376 8.414 8.827) 12.424 2.692 ( -0.036 7.945 -11.192) 13.726 2.692 ( -0.036 7.945 11.192) 13.726 3.208 ( 2.305 -0.649 -12.578) 12.804 3.208 ( 2.305 -0.649 12.579) 12.805 3.352 ( -2.493 0.862 -9.266) 9.634 3.352 ( -2.493 0.862 9.266) 9.634 3.735 ( -2.842 2.440 -6.136) 7.189 3.735 ( -2.842 2.440 6.136) 7.189 4.004 ( 0.563 -4.345 -13.297) 14.000 4.004 ( 0.563 -4.345 13.297) 14.000 4.835 ( -0.118 -4.843 -6.407) 8.032 4.835 ( -0.118 -4.843 6.407) 8.032 5.217 ( 5.234 3.709 -3.426) 7.273 5.217 ( 5.234 3.709 3.426) 7.273 6.028 ( 9.797 -2.876 -5.461) 11.579 6.028 ( 9.797 -2.877 5.461) 11.579 6.427 ( -11.496 2.088 -5.528) 12.926 6.427 ( -11.496 2.088 5.528) 12.926 8.769 ( 0.761 -2.494 -14.579) 14.811 8.769 ( 0.761 -2.494 14.579) 14.811 10.932 ( 0.226 1.147 -13.906) 13.955 10.932 ( 0.226 1.147 13.906) 13.955 ======================= Grid point 465 (144/150) ======================= q-point: (-0.22 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.417 ( -0.000 10.478 -13.521) 17.106 2.417 ( -0.000 10.478 13.521) 17.106 2.623 ( -0.000 0.512 -18.461) 18.468 2.623 ( -0.000 0.512 18.461) 18.468 3.272 ( -0.000 5.596 -13.273) 14.404 3.272 ( -0.000 5.596 13.273) 14.404 3.276 ( 0.000 -5.081 -12.576) 13.564 3.276 ( 0.000 -5.081 12.577) 13.564 3.720 ( 0.000 -2.169 -1.742) 2.782 3.720 ( 0.000 -2.169 1.742) 2.782 4.069 ( 0.000 -2.951 -11.076) 11.462 4.069 ( 0.000 -2.951 11.076) 11.462 4.922 ( 0.000 -5.370 -5.299) 7.544 4.922 ( 0.000 -5.370 5.299) 7.544 5.178 ( -0.000 4.727 -4.760) 6.708 5.178 ( -0.000 4.726 4.760) 6.708 6.202 ( 0.000 -5.049 -5.248) 7.282 6.202 ( 0.000 -5.049 5.248) 7.282 6.249 ( -0.000 4.785 -5.977) 7.657 6.249 ( -0.000 4.785 5.977) 7.657 8.803 ( 0.000 -0.904 -14.309) 14.338 8.803 ( 0.000 -0.904 14.309) 14.338 10.937 ( 0.000 -1.602 -13.837) 13.929 10.937 ( 0.000 -1.602 13.837) 13.929 ======================= Grid point 475 (145/150) ======================= q-point: ( 0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.748 ( 6.863 -0.000 -3.335) 7.631 2.748 ( 6.863 -0.000 3.335) 7.631 3.065 ( 3.344 -0.000 -13.161) 13.580 3.065 ( 3.344 -0.000 13.162) 13.580 3.278 ( 1.207 -0.000 -0.433) 1.283 3.278 ( 1.207 -0.000 0.433) 1.282 3.489 ( -5.988 0.000 -0.847) 6.047 3.489 ( -5.987 0.000 0.846) 6.046 3.820 ( 1.218 -0.000 -19.514) 19.552 3.820 ( 1.218 -0.000 19.514) 19.552 4.189 ( -6.750 0.000 -0.465) 6.766 4.189 ( -6.750 0.000 0.465) 6.766 4.762 ( -7.504 0.000 -5.190) 9.124 4.762 ( -7.504 0.000 5.190) 9.123 5.022 ( 19.510 -0.000 -3.994) 19.914 5.022 ( 19.509 -0.000 3.994) 19.914 5.680 ( 1.918 -0.000 -2.114) 2.854 5.680 ( 1.918 -0.000 2.114) 2.854 6.723 ( -6.334 0.000 -3.988) 7.485 6.723 ( -6.334 0.000 3.988) 7.485 8.618 ( -1.308 0.000 -15.821) 15.875 8.618 ( -1.308 0.000 15.821) 15.875 11.093 ( 0.054 -0.000 -7.444) 7.444 11.093 ( 0.054 -0.000 7.444) 7.444 ======================= Grid point 477 (146/150) ======================= q-point: ( 0.44 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.816 ( 3.814 0.749 -2.708) 4.738 2.816 ( 3.814 0.749 2.708) 4.738 3.074 ( 2.780 3.696 -12.837) 13.645 3.074 ( 2.780 3.696 12.837) 13.645 3.271 ( -2.078 -0.191 -1.887) 2.814 3.271 ( -2.078 -0.192 1.887) 2.814 3.418 ( -1.759 2.541 -2.638) 4.063 3.418 ( -1.758 2.542 2.638) 4.064 3.828 ( 0.936 0.300 -18.873) 18.899 3.828 ( 0.936 0.300 18.873) 18.898 4.073 ( -6.551 3.443 -4.840) 8.843 4.073 ( -6.552 3.443 4.841) 8.844 4.689 ( -4.901 -1.574 -8.229) 9.706 4.689 ( -4.901 -1.574 8.229) 9.706 5.246 ( 15.239 1.863 -5.043) 16.159 5.246 ( 15.239 1.863 5.043) 16.159 5.753 ( 6.769 -2.439 -2.211) 7.527 5.753 ( 6.769 -2.438 2.211) 7.527 6.614 ( -10.125 0.041 -3.825) 10.824 6.614 ( -10.125 0.041 3.826) 10.824 8.620 ( -0.485 -1.785 -15.734) 15.842 8.620 ( -0.485 -1.785 15.734) 15.842 11.075 ( 0.153 2.343 -8.390) 8.712 11.075 ( 0.153 2.343 8.390) 8.712 ======================= Grid point 479 (147/150) ======================= q-point: ( 0.56 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.804 ( 0.310 3.988 -4.602) 6.097 2.804 ( 0.310 3.988 4.601) 6.097 3.012 ( 1.415 7.717 -14.100) 16.136 3.012 ( 1.415 7.717 14.100) 16.136 3.263 ( 0.852 -0.207 -5.911) 5.976 3.263 ( 0.853 -0.208 5.909) 5.974 3.340 ( -2.068 3.740 -7.038) 8.234 3.340 ( -2.067 3.742 7.040) 8.236 3.854 ( 1.115 -1.635 -16.121) 16.242 3.854 ( 1.115 -1.635 16.120) 16.241 3.925 ( -4.364 5.039 -10.656) 12.569 3.925 ( -4.364 5.038 10.657) 12.570 4.690 ( -1.993 -3.774 -9.546) 10.456 4.690 ( -1.993 -3.774 9.546) 10.457 5.339 ( 6.589 3.551 -4.146) 8.557 5.339 ( 6.589 3.551 4.146) 8.557 5.917 ( 9.870 -3.132 -3.281) 10.863 5.917 ( 9.870 -3.132 3.282) 10.863 6.472 ( -10.660 0.296 -4.154) 11.444 6.472 ( -10.661 0.296 4.154) 11.445 8.661 ( 0.128 -3.333 -15.475) 15.830 8.661 ( 0.128 -3.333 15.475) 15.830 11.026 ( 0.142 3.616 -10.533) 11.137 11.026 ( 0.142 3.616 10.533) 11.137 ======================= Grid point 481 (148/150) ======================= q-point: (-0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.711 ( -0.000 7.056 -8.148) 10.779 2.711 ( -0.000 7.056 8.148) 10.779 2.859 ( -0.000 11.364 -13.511) 17.654 2.859 ( -0.000 11.364 13.511) 17.654 3.242 ( -0.000 3.145 -12.899) 13.276 3.242 ( -0.000 3.145 12.899) 13.276 3.320 ( 0.000 -2.461 -6.417) 6.873 3.320 ( 0.000 -2.460 6.418) 6.873 3.787 ( -0.000 6.001 -9.676) 11.385 3.787 ( -0.000 6.000 9.676) 11.385 3.931 ( 0.000 -4.688 -15.404) 16.101 3.931 ( 0.000 -4.688 15.404) 16.101 4.750 ( 0.000 -4.925 -8.541) 9.859 4.750 ( 0.000 -4.925 8.541) 9.859 5.317 ( -0.000 4.038 -3.681) 5.464 5.317 ( -0.000 4.038 3.681) 5.464 6.053 ( 0.000 -3.769 -4.602) 5.949 6.053 ( 0.000 -3.769 4.602) 5.949 6.370 ( -0.000 1.911 -5.256) 5.593 6.370 ( -0.000 1.911 5.256) 5.593 8.722 ( 0.000 -3.650 -14.989) 15.427 8.722 ( 0.000 -3.650 14.989) 15.427 10.970 ( -0.000 3.187 -12.701) 13.095 10.970 ( -0.000 3.187 12.701) 13.095 ======================= Grid point 495 (149/150) ======================= q-point: ( 0.44 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.863 ( 1.988 -0.000 -2.015) 2.831 2.863 ( 1.988 -0.000 2.015) 2.831 3.135 ( 1.789 -0.000 -11.106) 11.250 3.135 ( 1.789 -0.000 11.107) 11.250 3.233 ( -2.311 0.000 -0.038) 2.311 3.234 ( -2.310 0.000 0.038) 2.310 3.426 ( -0.251 0.000 -2.796) 2.807 3.426 ( -0.252 0.000 2.796) 2.807 3.848 ( 0.755 -0.000 -20.002) 20.016 3.848 ( 0.755 -0.000 20.002) 20.016 4.035 ( -3.762 0.000 -4.602) 5.944 4.035 ( -3.761 0.000 4.603) 5.944 4.620 ( -2.979 0.000 -10.065) 10.497 4.620 ( -2.980 0.000 10.065) 10.497 5.409 ( 6.615 -0.000 -5.015) 8.301 5.409 ( 6.616 -0.000 5.015) 8.302 5.859 ( 11.738 -0.000 -0.477) 11.748 5.859 ( 11.739 -0.000 0.477) 11.749 6.468 ( -11.442 0.000 -2.623) 11.738 6.468 ( -11.442 0.000 2.623) 11.739 8.600 ( -0.231 0.000 -15.627) 15.628 8.600 ( -0.231 0.000 15.627) 15.628 11.096 ( 0.104 -0.000 -7.481) 7.481 11.096 ( 0.104 -0.000 7.481) 7.482 ======================= Grid point 497 (150/150) ======================= q-point: (-0.44 -0.56 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.858 ( -0.000 2.080 -2.843) 3.522 2.858 ( -0.000 2.079 2.843) 3.522 3.116 ( -0.000 3.866 -11.533) 12.164 3.116 ( -0.000 3.866 11.533) 12.164 3.232 ( 0.000 -1.764 -2.799) 3.309 3.232 ( 0.000 -1.765 2.800) 3.310 3.404 ( -0.000 3.007 -3.693) 4.762 3.404 ( -0.000 3.006 3.693) 4.762 3.846 ( -0.000 0.219 -20.162) 20.163 3.846 ( -0.000 0.219 20.162) 20.163 3.976 ( -0.000 3.966 -7.748) 8.704 3.976 ( -0.000 3.966 7.748) 8.704 4.622 ( 0.000 -2.514 -10.745) 11.035 4.622 ( 0.000 -2.514 10.745) 11.035 5.429 ( -0.000 2.261 -4.231) 4.797 5.429 ( -0.000 2.261 4.231) 4.798 5.971 ( 0.000 -1.263 -2.966) 3.224 5.971 ( 0.000 -1.263 2.967) 3.225 6.379 ( 0.000 -0.571 -2.408) 2.475 6.379 ( 0.000 -0.571 2.408) 2.475 8.616 ( 0.000 -2.077 -15.576) 15.714 8.616 ( 0.000 -2.077 15.576) 15.714 11.077 ( -0.000 2.314 -8.435) 8.746 11.077 ( -0.000 2.314 8.435) 8.746 =================== 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 3/19440 10.0 1124.575 986.664 805.263 0.000 0.000 -0.000 3/19440 20.0 253.506 206.329 182.830 0.000 0.000 -0.000 3/19440 30.0 81.217 68.075 71.188 0.000 0.000 -0.000 3/19440 40.0 39.595 34.797 41.805 0.000 0.000 -0.000 3/19440 50.0 24.607 22.213 29.241 0.000 0.000 -0.000 3/19440 60.0 17.630 16.073 22.430 0.000 0.000 -0.000 3/19440 70.0 13.762 12.547 18.187 0.000 0.000 -0.000 3/19440 80.0 11.336 10.287 15.299 0.000 0.000 -0.000 3/19440 90.0 9.674 8.722 13.211 0.000 0.000 -0.000 3/19440 100.0 8.462 7.578 11.633 0.000 0.000 -0.000 3/19440 110.0 7.535 6.705 10.400 0.000 0.000 -0.000 3/19440 120.0 6.800 6.017 9.411 0.000 0.000 -0.000 3/19440 130.0 6.203 5.461 8.599 0.000 0.000 -0.000 3/19440 140.0 5.706 5.002 7.921 0.000 0.000 -0.000 3/19440 150.0 5.285 4.617 7.345 0.000 0.000 -0.000 3/19440 160.0 4.925 4.288 6.851 0.000 0.000 -0.000 3/19440 170.0 4.612 4.005 6.420 0.000 0.000 -0.000 3/19440 180.0 4.338 3.757 6.043 0.000 0.000 -0.000 3/19440 190.0 4.095 3.540 5.708 0.000 0.000 -0.000 3/19440 200.0 3.878 3.347 5.410 0.000 0.000 -0.000 3/19440 210.0 3.684 3.174 5.142 0.000 0.000 -0.000 3/19440 220.0 3.509 3.019 4.900 0.000 0.000 -0.000 3/19440 230.0 3.350 2.878 4.680 0.000 0.000 -0.000 3/19440 240.0 3.205 2.751 4.479 0.000 0.000 -0.000 3/19440 250.0 3.072 2.634 4.295 0.000 0.000 -0.000 3/19440 260.0 2.950 2.528 4.126 0.000 0.000 -0.000 3/19440 270.0 2.837 2.429 3.970 0.000 0.000 -0.000 3/19440 280.0 2.733 2.338 3.826 0.000 0.000 -0.000 3/19440 290.0 2.637 2.254 3.692 0.000 0.000 -0.000 3/19440 300.0 2.547 2.176 3.567 0.000 0.000 -0.000 3/19440 310.0 2.463 2.103 3.450 0.000 0.000 -0.000 3/19440 320.0 2.384 2.035 3.341 0.000 0.000 -0.000 3/19440 330.0 2.310 1.971 3.239 0.000 0.000 -0.000 3/19440 340.0 2.241 1.912 3.142 0.000 0.000 -0.000 3/19440 350.0 2.176 1.855 3.052 0.000 0.000 -0.000 3/19440 360.0 2.115 1.802 2.966 0.000 0.000 -0.000 3/19440 370.0 2.056 1.752 2.885 0.000 0.000 -0.000 3/19440 380.0 2.002 1.705 2.809 0.000 0.000 -0.000 3/19440 390.0 1.950 1.660 2.736 0.000 0.000 -0.000 3/19440 400.0 1.900 1.618 2.667 0.000 0.000 -0.000 3/19440 410.0 1.853 1.578 2.602 0.000 0.000 -0.000 3/19440 420.0 1.809 1.539 2.540 0.000 0.000 -0.000 3/19440 430.0 1.766 1.503 2.480 0.000 0.000 -0.000 3/19440 440.0 1.726 1.468 2.424 0.000 0.000 -0.000 3/19440 450.0 1.687 1.435 2.369 0.000 0.000 -0.000 3/19440 460.0 1.650 1.403 2.318 0.000 0.000 -0.000 3/19440 470.0 1.614 1.373 2.268 0.000 0.000 -0.000 3/19440 480.0 1.580 1.344 2.221 0.000 0.000 -0.000 3/19440 490.0 1.548 1.316 2.175 0.000 0.000 -0.000 3/19440 500.0 1.517 1.289 2.132 0.000 0.000 -0.000 3/19440 510.0 1.487 1.264 2.090 0.000 0.000 -0.000 3/19440 520.0 1.458 1.239 2.049 0.000 0.000 -0.000 3/19440 530.0 1.430 1.215 2.011 0.000 0.000 -0.000 3/19440 540.0 1.404 1.193 1.973 0.000 0.000 -0.000 3/19440 550.0 1.378 1.171 1.937 0.000 0.000 -0.000 3/19440 560.0 1.353 1.150 1.903 0.000 0.000 -0.000 3/19440 570.0 1.329 1.129 1.869 0.000 0.000 -0.000 3/19440 580.0 1.306 1.110 1.837 0.000 0.000 -0.000 3/19440 590.0 1.284 1.091 1.806 0.000 0.000 -0.000 3/19440 600.0 1.262 1.072 1.776 0.000 0.000 -0.000 3/19440 610.0 1.242 1.054 1.747 0.000 0.000 -0.000 3/19440 620.0 1.222 1.037 1.718 0.000 0.000 -0.000 3/19440 630.0 1.202 1.021 1.691 0.000 0.000 -0.000 3/19440 640.0 1.183 1.005 1.665 0.000 0.000 -0.000 3/19440 650.0 1.165 0.989 1.639 0.000 0.000 -0.000 3/19440 660.0 1.147 0.974 1.614 0.000 0.000 -0.000 3/19440 670.0 1.130 0.959 1.590 0.000 0.000 -0.000 3/19440 680.0 1.113 0.945 1.567 0.000 0.000 -0.000 3/19440 690.0 1.097 0.931 1.544 0.000 0.000 -0.000 3/19440 700.0 1.081 0.918 1.522 0.000 0.000 -0.000 3/19440 710.0 1.066 0.905 1.500 0.000 0.000 -0.000 3/19440 720.0 1.051 0.892 1.479 0.000 0.000 -0.000 3/19440 730.0 1.037 0.880 1.459 0.000 0.000 -0.000 3/19440 740.0 1.023 0.868 1.439 0.000 0.000 -0.000 3/19440 750.0 1.009 0.856 1.420 0.000 0.000 -0.000 3/19440 760.0 0.996 0.845 1.402 0.000 0.000 -0.000 3/19440 770.0 0.983 0.834 1.383 0.000 0.000 -0.000 3/19440 780.0 0.970 0.823 1.366 0.000 0.000 -0.000 3/19440 790.0 0.958 0.813 1.348 0.000 0.000 -0.000 3/19440 800.0 0.946 0.803 1.331 0.000 0.000 -0.000 3/19440 810.0 0.934 0.793 1.315 0.000 0.000 -0.000 3/19440 820.0 0.923 0.783 1.299 0.000 0.000 -0.000 3/19440 830.0 0.912 0.773 1.283 0.000 0.000 -0.000 3/19440 840.0 0.901 0.764 1.268 0.000 0.000 -0.000 3/19440 850.0 0.890 0.755 1.253 0.000 0.000 -0.000 3/19440 860.0 0.880 0.746 1.239 0.000 0.000 -0.000 3/19440 870.0 0.870 0.738 1.224 0.000 0.000 -0.000 3/19440 880.0 0.860 0.729 1.210 0.000 0.000 -0.000 3/19440 890.0 0.850 0.721 1.197 0.000 0.000 -0.000 3/19440 900.0 0.840 0.713 1.184 0.000 0.000 -0.000 3/19440 910.0 0.831 0.705 1.171 0.000 0.000 -0.000 3/19440 920.0 0.822 0.697 1.158 0.000 0.000 -0.000 3/19440 930.0 0.813 0.690 1.145 0.000 0.000 -0.000 3/19440 940.0 0.805 0.683 1.133 0.000 0.000 -0.000 3/19440 950.0 0.796 0.675 1.121 0.000 0.000 -0.000 3/19440 960.0 0.788 0.668 1.110 0.000 0.000 -0.000 3/19440 970.0 0.780 0.661 1.098 0.000 0.000 -0.000 3/19440 980.0 0.772 0.655 1.087 0.000 0.000 -0.000 3/19440 990.0 0.764 0.648 1.076 0.000 0.000 -0.000 3/19440 1000.0 0.756 0.642 1.065 0.000 0.000 -0.000 3/19440 Thermal conductivity related properties were written into "kappa-m9910.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:30:53]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|