----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 01:38:19]------------------------- 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 4.390733365000000 -3.529459635000000 0.000000000000000 b 4.390733365000000 3.529459635000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.263304129999999 Atomic positions (fractional): *1 Na 0.02845473316849 0.32165208105609 0.75000000000000 22.990 2 Na 0.97154526683151 0.67834791894391 0.25000000000000 22.990 3 Na 0.32165208105609 0.02845473316849 0.25000000000000 22.990 4 Na 0.67834791894391 0.97154526683151 0.75000000000000 22.990 *5 Cu 0.50000000000000 0.50000000000000 0.50000000000000 63.546 6 Cu 0.50000000000000 0.50000000000000 0.00000000000000 63.546 *7 As 0.23028925359384 0.76971074640616 0.75000000000000 74.922 8 As 0.76971074640616 0.23028925359384 0.25000000000000 74.922 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.781466730000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.058919270000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.263304129999999 Atomic positions (fractional): *1 Na 0.17505340711229 0.14659867394380 0.75000000000000 22.990 > 1 2 Na 0.82494659288771 0.85340132605620 0.25000000000000 22.990 > 2 3 Na 0.17505340711229 0.85340132605620 0.25000000000000 22.990 > 3 4 Na 0.82494659288771 0.14659867394380 0.75000000000000 22.990 > 4 5 Na 0.67505340711229 0.64659867394380 0.75000000000000 22.990 > 1 6 Na 0.32494659288771 0.35340132605620 0.25000000000000 22.990 > 2 7 Na 0.67505340711229 0.35340132605620 0.25000000000000 22.990 > 3 8 Na 0.32494659288771 0.64659867394380 0.75000000000000 22.990 > 4 *9 Cu 0.50000000000000 0.00000000000000 0.50000000000000 63.546 > 5 10 Cu 0.50000000000000 0.00000000000000 0.00000000000000 63.546 > 6 11 Cu 0.00000000000000 0.50000000000000 0.50000000000000 63.546 > 5 12 Cu 0.00000000000000 0.50000000000000 0.00000000000000 63.546 > 6 *13 As 0.50000000000000 0.26971074640616 0.75000000000000 74.922 > 7 14 As 0.50000000000000 0.73028925359384 0.25000000000000 74.922 > 8 15 As 0.00000000000000 0.76971074640616 0.75000000000000 74.922 > 7 16 As 0.00000000000000 0.23028925359384 0.25000000000000 74.922 > 8 -------------------------------- super cell -------------------------------- Lattice vectors: a 17.562933460000000 0.000000000000000 0.000000000000000 b 0.000000000000000 14.117838539999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.526608259999998 Atomic positions (fractional): *1 Na 0.08752670355614 0.07329933697190 0.37500000000000 22.990 > 1 2 Na 0.58752670355614 0.07329933697190 0.37500000000000 22.990 > 1 3 Na 0.08752670355614 0.57329933697190 0.37500000000000 22.990 > 1 4 Na 0.58752670355614 0.57329933697190 0.37500000000000 22.990 > 1 5 Na 0.08752670355614 0.07329933697190 0.87500000000000 22.990 > 1 6 Na 0.58752670355614 0.07329933697190 0.87500000000000 22.990 > 1 7 Na 0.08752670355614 0.57329933697190 0.87500000000000 22.990 > 1 8 Na 0.58752670355614 0.57329933697190 0.87500000000000 22.990 > 1 9 Na 0.41247329644386 0.42670066302810 0.12500000000000 22.990 > 2 10 Na 0.91247329644386 0.42670066302810 0.12500000000000 22.990 > 2 11 Na 0.41247329644386 0.92670066302810 0.12500000000000 22.990 > 2 12 Na 0.91247329644386 0.92670066302810 0.12500000000000 22.990 > 2 13 Na 0.41247329644386 0.42670066302810 0.62500000000000 22.990 > 2 14 Na 0.91247329644386 0.42670066302810 0.62500000000000 22.990 > 2 15 Na 0.41247329644386 0.92670066302810 0.62500000000000 22.990 > 2 16 Na 0.91247329644386 0.92670066302810 0.62500000000000 22.990 > 2 17 Na 0.08752670355614 0.42670066302810 0.12500000000000 22.990 > 3 18 Na 0.58752670355614 0.42670066302810 0.12500000000000 22.990 > 3 19 Na 0.08752670355614 0.92670066302810 0.12500000000000 22.990 > 3 20 Na 0.58752670355614 0.92670066302810 0.12500000000000 22.990 > 3 21 Na 0.08752670355614 0.42670066302810 0.62500000000000 22.990 > 3 22 Na 0.58752670355614 0.42670066302810 0.62500000000000 22.990 > 3 23 Na 0.08752670355614 0.92670066302810 0.62500000000000 22.990 > 3 24 Na 0.58752670355614 0.92670066302810 0.62500000000000 22.990 > 3 25 Na 0.41247329644386 0.07329933697190 0.37500000000000 22.990 > 4 26 Na 0.91247329644386 0.07329933697190 0.37500000000000 22.990 > 4 27 Na 0.41247329644386 0.57329933697190 0.37500000000000 22.990 > 4 28 Na 0.91247329644386 0.57329933697190 0.37500000000000 22.990 > 4 29 Na 0.41247329644386 0.07329933697190 0.87500000000000 22.990 > 4 30 Na 0.91247329644386 0.07329933697190 0.87500000000000 22.990 > 4 31 Na 0.41247329644386 0.57329933697190 0.87500000000000 22.990 > 4 32 Na 0.91247329644386 0.57329933697190 0.87500000000000 22.990 > 4 33 Na 0.33752670355614 0.32329933697190 0.37500000000000 22.990 > 1 34 Na 0.83752670355614 0.32329933697190 0.37500000000000 22.990 > 1 35 Na 0.33752670355614 0.82329933697190 0.37500000000000 22.990 > 1 36 Na 0.83752670355614 0.82329933697190 0.37500000000000 22.990 > 1 37 Na 0.33752670355614 0.32329933697190 0.87500000000000 22.990 > 1 38 Na 0.83752670355614 0.32329933697190 0.87500000000000 22.990 > 1 39 Na 0.33752670355614 0.82329933697190 0.87500000000000 22.990 > 1 40 Na 0.83752670355614 0.82329933697190 0.87500000000000 22.990 > 1 41 Na 0.16247329644386 0.17670066302810 0.12500000000000 22.990 > 2 42 Na 0.66247329644386 0.17670066302810 0.12500000000000 22.990 > 2 43 Na 0.16247329644386 0.67670066302810 0.12500000000000 22.990 > 2 44 Na 0.66247329644386 0.67670066302810 0.12500000000000 22.990 > 2 45 Na 0.16247329644386 0.17670066302810 0.62500000000000 22.990 > 2 46 Na 0.66247329644386 0.17670066302810 0.62500000000000 22.990 > 2 47 Na 0.16247329644386 0.67670066302810 0.62500000000000 22.990 > 2 48 Na 0.66247329644386 0.67670066302810 0.62500000000000 22.990 > 2 49 Na 0.33752670355614 0.17670066302810 0.12500000000000 22.990 > 3 50 Na 0.83752670355614 0.17670066302810 0.12500000000000 22.990 > 3 51 Na 0.33752670355614 0.67670066302810 0.12500000000000 22.990 > 3 52 Na 0.83752670355614 0.67670066302810 0.12500000000000 22.990 > 3 53 Na 0.33752670355614 0.17670066302810 0.62500000000000 22.990 > 3 54 Na 0.83752670355614 0.17670066302810 0.62500000000000 22.990 > 3 55 Na 0.33752670355614 0.67670066302810 0.62500000000000 22.990 > 3 56 Na 0.83752670355614 0.67670066302810 0.62500000000000 22.990 > 3 57 Na 0.16247329644386 0.32329933697190 0.37500000000000 22.990 > 4 58 Na 0.66247329644386 0.32329933697190 0.37500000000000 22.990 > 4 59 Na 0.16247329644386 0.82329933697190 0.37500000000000 22.990 > 4 60 Na 0.66247329644386 0.82329933697190 0.37500000000000 22.990 > 4 61 Na 0.16247329644386 0.32329933697190 0.87500000000000 22.990 > 4 62 Na 0.66247329644386 0.32329933697190 0.87500000000000 22.990 > 4 63 Na 0.16247329644386 0.82329933697190 0.87500000000000 22.990 > 4 64 Na 0.66247329644386 0.82329933697190 0.87500000000000 22.990 > 4 *65 Cu 0.25000000000000 0.00000000000000 0.25000000000000 63.546 > 5 66 Cu 0.75000000000000 0.00000000000000 0.25000000000000 63.546 > 5 67 Cu 0.25000000000000 0.50000000000000 0.25000000000000 63.546 > 5 68 Cu 0.75000000000000 0.50000000000000 0.25000000000000 63.546 > 5 69 Cu 0.25000000000000 0.00000000000000 0.75000000000000 63.546 > 5 70 Cu 0.75000000000000 0.00000000000000 0.75000000000000 63.546 > 5 71 Cu 0.25000000000000 0.50000000000000 0.75000000000000 63.546 > 5 72 Cu 0.75000000000000 0.50000000000000 0.75000000000000 63.546 > 5 73 Cu 0.25000000000000 0.00000000000000 0.00000000000000 63.546 > 6 74 Cu 0.75000000000000 0.00000000000000 0.00000000000000 63.546 > 6 75 Cu 0.25000000000000 0.50000000000000 0.00000000000000 63.546 > 6 76 Cu 0.75000000000000 0.50000000000000 0.00000000000000 63.546 > 6 77 Cu 0.25000000000000 0.00000000000000 0.50000000000000 63.546 > 6 78 Cu 0.75000000000000 0.00000000000000 0.50000000000000 63.546 > 6 79 Cu 0.25000000000000 0.50000000000000 0.50000000000000 63.546 > 6 80 Cu 0.75000000000000 0.50000000000000 0.50000000000000 63.546 > 6 81 Cu 0.00000000000000 0.25000000000000 0.25000000000000 63.546 > 5 82 Cu 0.50000000000000 0.25000000000000 0.25000000000000 63.546 > 5 83 Cu 0.00000000000000 0.75000000000000 0.25000000000000 63.546 > 5 84 Cu 0.50000000000000 0.75000000000000 0.25000000000000 63.546 > 5 85 Cu 0.00000000000000 0.25000000000000 0.75000000000000 63.546 > 5 86 Cu 0.50000000000000 0.25000000000000 0.75000000000000 63.546 > 5 87 Cu 0.00000000000000 0.75000000000000 0.75000000000000 63.546 > 5 88 Cu 0.50000000000000 0.75000000000000 0.75000000000000 63.546 > 5 89 Cu 0.00000000000000 0.25000000000000 0.00000000000000 63.546 > 6 90 Cu 0.50000000000000 0.25000000000000 0.00000000000000 63.546 > 6 91 Cu 0.00000000000000 0.75000000000000 0.00000000000000 63.546 > 6 92 Cu 0.50000000000000 0.75000000000000 0.00000000000000 63.546 > 6 93 Cu 0.00000000000000 0.25000000000000 0.50000000000000 63.546 > 6 94 Cu 0.50000000000000 0.25000000000000 0.50000000000000 63.546 > 6 95 Cu 0.00000000000000 0.75000000000000 0.50000000000000 63.546 > 6 96 Cu 0.50000000000000 0.75000000000000 0.50000000000000 63.546 > 6 *97 As 0.25000000000000 0.13485537320308 0.37500000000000 74.922 > 7 98 As 0.75000000000000 0.13485537320308 0.37500000000000 74.922 > 7 99 As 0.25000000000000 0.63485537320308 0.37500000000000 74.922 > 7 100 As 0.75000000000000 0.63485537320308 0.37500000000000 74.922 > 7 101 As 0.25000000000000 0.13485537320308 0.87500000000000 74.922 > 7 102 As 0.75000000000000 0.13485537320308 0.87500000000000 74.922 > 7 103 As 0.25000000000000 0.63485537320308 0.87500000000000 74.922 > 7 104 As 0.75000000000000 0.63485537320308 0.87500000000000 74.922 > 7 105 As 0.25000000000000 0.36514462679692 0.12500000000000 74.922 > 8 106 As 0.75000000000000 0.36514462679692 0.12500000000000 74.922 > 8 107 As 0.25000000000000 0.86514462679692 0.12500000000000 74.922 > 8 108 As 0.75000000000000 0.86514462679692 0.12500000000000 74.922 > 8 109 As 0.25000000000000 0.36514462679692 0.62500000000000 74.922 > 8 110 As 0.75000000000000 0.36514462679692 0.62500000000000 74.922 > 8 111 As 0.25000000000000 0.86514462679692 0.62500000000000 74.922 > 8 112 As 0.75000000000000 0.86514462679692 0.62500000000000 74.922 > 8 113 As 0.00000000000000 0.38485537320308 0.37500000000000 74.922 > 7 114 As 0.50000000000000 0.38485537320308 0.37500000000000 74.922 > 7 115 As 0.00000000000000 0.88485537320308 0.37500000000000 74.922 > 7 116 As 0.50000000000000 0.88485537320308 0.37500000000000 74.922 > 7 117 As 0.00000000000000 0.38485537320308 0.87500000000000 74.922 > 7 118 As 0.50000000000000 0.38485537320308 0.87500000000000 74.922 > 7 119 As 0.00000000000000 0.88485537320308 0.87500000000000 74.922 > 7 120 As 0.50000000000000 0.88485537320308 0.87500000000000 74.922 > 7 121 As 0.00000000000000 0.11514462679692 0.12500000000000 74.922 > 8 122 As 0.50000000000000 0.11514462679692 0.12500000000000 74.922 > 8 123 As 0.00000000000000 0.61514462679692 0.12500000000000 74.922 > 8 124 As 0.50000000000000 0.61514462679692 0.12500000000000 74.922 > 8 125 As 0.00000000000000 0.11514462679692 0.62500000000000 74.922 > 8 126 As 0.50000000000000 0.11514462679692 0.62500000000000 74.922 > 8 127 As 0.00000000000000 0.61514462679692 0.62500000000000 74.922 > 8 128 As 0.50000000000000 0.61514462679692 0.62500000000000 74.922 > 8 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.7115641 0.0000000 0.0000000 0.0000000 10.9588395 0.0000000 0.0000000 0.0000000 26.0295687 -------------------------- Born effective charges -------------------------- 1 Na 1.1793387 -0.0151019 0.0000000 -0.1978231 1.1642441 0.0000000 0.0000000 0.0000000 1.1986575 2 Na 1.1793387 -0.0151019 0.0000000 -0.1978231 1.1642441 0.0000000 0.0000000 0.0000000 1.1986575 3 Na 1.1793387 0.0151019 0.0000000 0.1978231 1.1642441 0.0000000 0.0000000 0.0000000 1.1986575 4 Na 1.1793387 0.0151019 0.0000000 0.1978231 1.1642441 0.0000000 0.0000000 0.0000000 1.1986575 5 Cu -0.6676972 0.0000000 0.0000000 0.0000000 0.6337257 0.6275219 0.0000000 2.2208621 1.3533018 6 Cu -0.6676972 0.0000000 0.0000000 0.0000000 0.6337257 -0.6275219 0.0000000 -2.2208621 1.3533018 7 As -1.6909802 0.0000000 0.0000000 0.0000000 -2.9622139 0.0000000 0.0000000 0.0000000 -3.7506167 8 As -1.6909802 0.0000000 0.0000000 0.0000000 -2.9622139 0.0000000 0.0000000 0.0000000 -3.7506167 ---------------------------------------------------------------------------- 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): 0.003 Solver_block: 100 / 160 - Time: 0.708 Solver_block: 160 / 160 - Time: 0.458 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.181 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yz) 0.00000000 (yz) 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 (yz) 0.00000000 (yz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 01:38:28]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 01:38:28]------------------------- 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 4.390733365000000 -3.529459635000000 0.000000000000000 b 4.390733365000000 3.529459635000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.263304129999999 Atomic positions (fractional): 1 Na 0.02845473316849 0.32165208105609 0.75000000000000 22.990 2 Na 0.97154526683151 0.67834791894391 0.25000000000000 22.990 3 Na 0.32165208105609 0.02845473316849 0.25000000000000 22.990 4 Na 0.67834791894391 0.97154526683151 0.75000000000000 22.990 5 Cu 0.50000000000000 0.50000000000000 0.50000000000000 63.546 6 Cu 0.50000000000000 0.50000000000000 0.00000000000000 63.546 7 As 0.23028925359384 0.76971074640616 0.75000000000000 74.922 8 As 0.76971074640616 0.23028925359384 0.25000000000000 74.922 -------------------------------- supercell --------------------------------- Lattice vectors: a 17.562933460000000 0.000000000000000 0.000000000000000 b 0.000000000000000 14.117838539999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.526608259999998 Atomic positions (fractional): 1 Na 0.08752670355614 0.07329933697190 0.37500000000000 22.990 > 1 2 Na 0.58752670355614 0.07329933697190 0.37500000000000 22.990 > 1 3 Na 0.08752670355614 0.57329933697190 0.37500000000000 22.990 > 1 4 Na 0.58752670355614 0.57329933697190 0.37500000000000 22.990 > 1 5 Na 0.08752670355614 0.07329933697190 0.87500000000000 22.990 > 1 6 Na 0.58752670355614 0.07329933697190 0.87500000000000 22.990 > 1 7 Na 0.08752670355614 0.57329933697190 0.87500000000000 22.990 > 1 8 Na 0.58752670355614 0.57329933697190 0.87500000000000 22.990 > 1 9 Na 0.41247329644386 0.42670066302810 0.12500000000000 22.990 > 9 10 Na 0.91247329644386 0.42670066302810 0.12500000000000 22.990 > 9 11 Na 0.41247329644386 0.92670066302810 0.12500000000000 22.990 > 9 12 Na 0.91247329644386 0.92670066302810 0.12500000000000 22.990 > 9 13 Na 0.41247329644386 0.42670066302810 0.62500000000000 22.990 > 9 14 Na 0.91247329644386 0.42670066302810 0.62500000000000 22.990 > 9 15 Na 0.41247329644386 0.92670066302810 0.62500000000000 22.990 > 9 16 Na 0.91247329644386 0.92670066302810 0.62500000000000 22.990 > 9 17 Na 0.08752670355614 0.42670066302810 0.12500000000000 22.990 > 17 18 Na 0.58752670355614 0.42670066302810 0.12500000000000 22.990 > 17 19 Na 0.08752670355614 0.92670066302810 0.12500000000000 22.990 > 17 20 Na 0.58752670355614 0.92670066302810 0.12500000000000 22.990 > 17 21 Na 0.08752670355614 0.42670066302810 0.62500000000000 22.990 > 17 22 Na 0.58752670355614 0.42670066302810 0.62500000000000 22.990 > 17 23 Na 0.08752670355614 0.92670066302810 0.62500000000000 22.990 > 17 24 Na 0.58752670355614 0.92670066302810 0.62500000000000 22.990 > 17 25 Na 0.41247329644386 0.07329933697190 0.37500000000000 22.990 > 25 26 Na 0.91247329644386 0.07329933697190 0.37500000000000 22.990 > 25 27 Na 0.41247329644386 0.57329933697190 0.37500000000000 22.990 > 25 28 Na 0.91247329644386 0.57329933697190 0.37500000000000 22.990 > 25 29 Na 0.41247329644386 0.07329933697190 0.87500000000000 22.990 > 25 30 Na 0.91247329644386 0.07329933697190 0.87500000000000 22.990 > 25 31 Na 0.41247329644386 0.57329933697190 0.87500000000000 22.990 > 25 32 Na 0.91247329644386 0.57329933697190 0.87500000000000 22.990 > 25 33 Na 0.33752670355614 0.32329933697190 0.37500000000000 22.990 > 1 34 Na 0.83752670355614 0.32329933697190 0.37500000000000 22.990 > 1 35 Na 0.33752670355614 0.82329933697190 0.37500000000000 22.990 > 1 36 Na 0.83752670355614 0.82329933697190 0.37500000000000 22.990 > 1 37 Na 0.33752670355614 0.32329933697190 0.87500000000000 22.990 > 1 38 Na 0.83752670355614 0.32329933697190 0.87500000000000 22.990 > 1 39 Na 0.33752670355614 0.82329933697190 0.87500000000000 22.990 > 1 40 Na 0.83752670355614 0.82329933697190 0.87500000000000 22.990 > 1 41 Na 0.16247329644386 0.17670066302810 0.12500000000000 22.990 > 9 42 Na 0.66247329644386 0.17670066302810 0.12500000000000 22.990 > 9 43 Na 0.16247329644386 0.67670066302810 0.12500000000000 22.990 > 9 44 Na 0.66247329644386 0.67670066302810 0.12500000000000 22.990 > 9 45 Na 0.16247329644386 0.17670066302810 0.62500000000000 22.990 > 9 46 Na 0.66247329644386 0.17670066302810 0.62500000000000 22.990 > 9 47 Na 0.16247329644386 0.67670066302810 0.62500000000000 22.990 > 9 48 Na 0.66247329644386 0.67670066302810 0.62500000000000 22.990 > 9 49 Na 0.33752670355614 0.17670066302810 0.12500000000000 22.990 > 17 50 Na 0.83752670355614 0.17670066302810 0.12500000000000 22.990 > 17 51 Na 0.33752670355614 0.67670066302810 0.12500000000000 22.990 > 17 52 Na 0.83752670355614 0.67670066302810 0.12500000000000 22.990 > 17 53 Na 0.33752670355614 0.17670066302810 0.62500000000000 22.990 > 17 54 Na 0.83752670355614 0.17670066302810 0.62500000000000 22.990 > 17 55 Na 0.33752670355614 0.67670066302810 0.62500000000000 22.990 > 17 56 Na 0.83752670355614 0.67670066302810 0.62500000000000 22.990 > 17 57 Na 0.16247329644386 0.32329933697190 0.37500000000000 22.990 > 25 58 Na 0.66247329644386 0.32329933697190 0.37500000000000 22.990 > 25 59 Na 0.16247329644386 0.82329933697190 0.37500000000000 22.990 > 25 60 Na 0.66247329644386 0.82329933697190 0.37500000000000 22.990 > 25 61 Na 0.16247329644386 0.32329933697190 0.87500000000000 22.990 > 25 62 Na 0.66247329644386 0.32329933697190 0.87500000000000 22.990 > 25 63 Na 0.16247329644386 0.82329933697190 0.87500000000000 22.990 > 25 64 Na 0.66247329644386 0.82329933697190 0.87500000000000 22.990 > 25 65 Cu 0.25000000000000 0.00000000000000 0.25000000000000 63.546 > 65 66 Cu 0.75000000000000 0.00000000000000 0.25000000000000 63.546 > 65 67 Cu 0.25000000000000 0.50000000000000 0.25000000000000 63.546 > 65 68 Cu 0.75000000000000 0.50000000000000 0.25000000000000 63.546 > 65 69 Cu 0.25000000000000 0.00000000000000 0.75000000000000 63.546 > 65 70 Cu 0.75000000000000 0.00000000000000 0.75000000000000 63.546 > 65 71 Cu 0.25000000000000 0.50000000000000 0.75000000000000 63.546 > 65 72 Cu 0.75000000000000 0.50000000000000 0.75000000000000 63.546 > 65 73 Cu 0.25000000000000 0.00000000000000 0.00000000000000 63.546 > 73 74 Cu 0.75000000000000 0.00000000000000 0.00000000000000 63.546 > 73 75 Cu 0.25000000000000 0.50000000000000 0.00000000000000 63.546 > 73 76 Cu 0.75000000000000 0.50000000000000 0.00000000000000 63.546 > 73 77 Cu 0.25000000000000 0.00000000000000 0.50000000000000 63.546 > 73 78 Cu 0.75000000000000 0.00000000000000 0.50000000000000 63.546 > 73 79 Cu 0.25000000000000 0.50000000000000 0.50000000000000 63.546 > 73 80 Cu 0.75000000000000 0.50000000000000 0.50000000000000 63.546 > 73 81 Cu 0.00000000000000 0.25000000000000 0.25000000000000 63.546 > 65 82 Cu 0.50000000000000 0.25000000000000 0.25000000000000 63.546 > 65 83 Cu 0.00000000000000 0.75000000000000 0.25000000000000 63.546 > 65 84 Cu 0.50000000000000 0.75000000000000 0.25000000000000 63.546 > 65 85 Cu 0.00000000000000 0.25000000000000 0.75000000000000 63.546 > 65 86 Cu 0.50000000000000 0.25000000000000 0.75000000000000 63.546 > 65 87 Cu 0.00000000000000 0.75000000000000 0.75000000000000 63.546 > 65 88 Cu 0.50000000000000 0.75000000000000 0.75000000000000 63.546 > 65 89 Cu 0.00000000000000 0.25000000000000 0.00000000000000 63.546 > 73 90 Cu 0.50000000000000 0.25000000000000 0.00000000000000 63.546 > 73 91 Cu 0.00000000000000 0.75000000000000 0.00000000000000 63.546 > 73 92 Cu 0.50000000000000 0.75000000000000 0.00000000000000 63.546 > 73 93 Cu 0.00000000000000 0.25000000000000 0.50000000000000 63.546 > 73 94 Cu 0.50000000000000 0.25000000000000 0.50000000000000 63.546 > 73 95 Cu 0.00000000000000 0.75000000000000 0.50000000000000 63.546 > 73 96 Cu 0.50000000000000 0.75000000000000 0.50000000000000 63.546 > 73 97 As 0.25000000000000 0.13485537320308 0.37500000000000 74.922 > 97 98 As 0.75000000000000 0.13485537320308 0.37500000000000 74.922 > 97 99 As 0.25000000000000 0.63485537320308 0.37500000000000 74.922 > 97 100 As 0.75000000000000 0.63485537320308 0.37500000000000 74.922 > 97 101 As 0.25000000000000 0.13485537320308 0.87500000000000 74.922 > 97 102 As 0.75000000000000 0.13485537320308 0.87500000000000 74.922 > 97 103 As 0.25000000000000 0.63485537320308 0.87500000000000 74.922 > 97 104 As 0.75000000000000 0.63485537320308 0.87500000000000 74.922 > 97 105 As 0.25000000000000 0.36514462679692 0.12500000000000 74.922 > 105 106 As 0.75000000000000 0.36514462679692 0.12500000000000 74.922 > 105 107 As 0.25000000000000 0.86514462679692 0.12500000000000 74.922 > 105 108 As 0.75000000000000 0.86514462679692 0.12500000000000 74.922 > 105 109 As 0.25000000000000 0.36514462679692 0.62500000000000 74.922 > 105 110 As 0.75000000000000 0.36514462679692 0.62500000000000 74.922 > 105 111 As 0.25000000000000 0.86514462679692 0.62500000000000 74.922 > 105 112 As 0.75000000000000 0.86514462679692 0.62500000000000 74.922 > 105 113 As 0.00000000000000 0.38485537320308 0.37500000000000 74.922 > 97 114 As 0.50000000000000 0.38485537320308 0.37500000000000 74.922 > 97 115 As 0.00000000000000 0.88485537320308 0.37500000000000 74.922 > 97 116 As 0.50000000000000 0.88485537320308 0.37500000000000 74.922 > 97 117 As 0.00000000000000 0.38485537320308 0.87500000000000 74.922 > 97 118 As 0.50000000000000 0.38485537320308 0.87500000000000 74.922 > 97 119 As 0.00000000000000 0.88485537320308 0.87500000000000 74.922 > 97 120 As 0.50000000000000 0.88485537320308 0.87500000000000 74.922 > 97 121 As 0.00000000000000 0.11514462679692 0.12500000000000 74.922 > 105 122 As 0.50000000000000 0.11514462679692 0.12500000000000 74.922 > 105 123 As 0.00000000000000 0.61514462679692 0.12500000000000 74.922 > 105 124 As 0.50000000000000 0.61514462679692 0.12500000000000 74.922 > 105 125 As 0.00000000000000 0.11514462679692 0.62500000000000 74.922 > 105 126 As 0.50000000000000 0.11514462679692 0.62500000000000 74.922 > 105 127 As 0.00000000000000 0.61514462679692 0.62500000000000 74.922 > 105 128 As 0.50000000000000 0.61514462679692 0.62500000000000 74.922 > 105 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.7115641 0.0000000 0.0000000 0.0000000 10.9588395 0.0000000 0.0000000 0.0000000 26.0295687 -------------------------- Born effective charges -------------------------- 1 Na 1.1793387 -0.0151019 0.0000000 -0.1978231 1.1642441 0.0000000 0.0000000 0.0000000 1.1986575 2 Na 1.1793387 -0.0151019 0.0000000 -0.1978231 1.1642441 0.0000000 0.0000000 0.0000000 1.1986575 3 Na 1.1793387 0.0151019 0.0000000 0.1978231 1.1642441 0.0000000 0.0000000 0.0000000 1.1986575 4 Na 1.1793387 0.0151019 0.0000000 0.1978231 1.1642441 0.0000000 0.0000000 0.0000000 1.1986575 5 Cu -0.6676972 0.0000000 0.0000000 0.0000000 0.6337257 0.6275219 0.0000000 2.2208621 1.3533018 6 Cu -0.6676972 0.0000000 0.0000000 0.0000000 0.6337257 -0.6275219 0.0000000 -2.2208621 1.3533018 7 As -1.6909802 0.0000000 0.0000000 0.0000000 -2.9622139 0.0000000 0.0000000 0.0000000 -3.7506167 8 As -1.6909802 0.0000000 0.0000000 0.0000000 -2.9622139 0.0000000 0.0000000 0.0000000 -3.7506167 ---------------------------------------------------------------------------- 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: -0.00000001 (xy) -0.00000001 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 01:38:39]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 01:38:39]------------------------- 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 4.390733365000000 -3.529459635000000 0.000000000000000 b 4.390733365000000 3.529459635000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.263304129999999 Atomic positions (fractional): 1 Na 0.02845473316849 0.32165208105609 0.75000000000000 22.990 2 Na 0.97154526683151 0.67834791894391 0.25000000000000 22.990 3 Na 0.32165208105609 0.02845473316849 0.25000000000000 22.990 4 Na 0.67834791894391 0.97154526683151 0.75000000000000 22.990 5 Cu 0.50000000000000 0.50000000000000 0.50000000000000 63.546 6 Cu 0.50000000000000 0.50000000000000 0.00000000000000 63.546 7 As 0.23028925359384 0.76971074640616 0.75000000000000 74.922 8 As 0.76971074640616 0.23028925359384 0.25000000000000 74.922 -------------------------------- supercell --------------------------------- Lattice vectors: a 17.562933460000000 0.000000000000000 0.000000000000000 b 0.000000000000000 14.117838539999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.526608259999998 Atomic positions (fractional): 1 Na 0.08752670355614 0.07329933697190 0.37500000000000 22.990 > 1 2 Na 0.58752670355614 0.07329933697190 0.37500000000000 22.990 > 1 3 Na 0.08752670355614 0.57329933697190 0.37500000000000 22.990 > 1 4 Na 0.58752670355614 0.57329933697190 0.37500000000000 22.990 > 1 5 Na 0.08752670355614 0.07329933697190 0.87500000000000 22.990 > 1 6 Na 0.58752670355614 0.07329933697190 0.87500000000000 22.990 > 1 7 Na 0.08752670355614 0.57329933697190 0.87500000000000 22.990 > 1 8 Na 0.58752670355614 0.57329933697190 0.87500000000000 22.990 > 1 9 Na 0.41247329644386 0.42670066302810 0.12500000000000 22.990 > 9 10 Na 0.91247329644386 0.42670066302810 0.12500000000000 22.990 > 9 11 Na 0.41247329644386 0.92670066302810 0.12500000000000 22.990 > 9 12 Na 0.91247329644386 0.92670066302810 0.12500000000000 22.990 > 9 13 Na 0.41247329644386 0.42670066302810 0.62500000000000 22.990 > 9 14 Na 0.91247329644386 0.42670066302810 0.62500000000000 22.990 > 9 15 Na 0.41247329644386 0.92670066302810 0.62500000000000 22.990 > 9 16 Na 0.91247329644386 0.92670066302810 0.62500000000000 22.990 > 9 17 Na 0.08752670355614 0.42670066302810 0.12500000000000 22.990 > 17 18 Na 0.58752670355614 0.42670066302810 0.12500000000000 22.990 > 17 19 Na 0.08752670355614 0.92670066302810 0.12500000000000 22.990 > 17 20 Na 0.58752670355614 0.92670066302810 0.12500000000000 22.990 > 17 21 Na 0.08752670355614 0.42670066302810 0.62500000000000 22.990 > 17 22 Na 0.58752670355614 0.42670066302810 0.62500000000000 22.990 > 17 23 Na 0.08752670355614 0.92670066302810 0.62500000000000 22.990 > 17 24 Na 0.58752670355614 0.92670066302810 0.62500000000000 22.990 > 17 25 Na 0.41247329644386 0.07329933697190 0.37500000000000 22.990 > 25 26 Na 0.91247329644386 0.07329933697190 0.37500000000000 22.990 > 25 27 Na 0.41247329644386 0.57329933697190 0.37500000000000 22.990 > 25 28 Na 0.91247329644386 0.57329933697190 0.37500000000000 22.990 > 25 29 Na 0.41247329644386 0.07329933697190 0.87500000000000 22.990 > 25 30 Na 0.91247329644386 0.07329933697190 0.87500000000000 22.990 > 25 31 Na 0.41247329644386 0.57329933697190 0.87500000000000 22.990 > 25 32 Na 0.91247329644386 0.57329933697190 0.87500000000000 22.990 > 25 33 Na 0.33752670355614 0.32329933697190 0.37500000000000 22.990 > 1 34 Na 0.83752670355614 0.32329933697190 0.37500000000000 22.990 > 1 35 Na 0.33752670355614 0.82329933697190 0.37500000000000 22.990 > 1 36 Na 0.83752670355614 0.82329933697190 0.37500000000000 22.990 > 1 37 Na 0.33752670355614 0.32329933697190 0.87500000000000 22.990 > 1 38 Na 0.83752670355614 0.32329933697190 0.87500000000000 22.990 > 1 39 Na 0.33752670355614 0.82329933697190 0.87500000000000 22.990 > 1 40 Na 0.83752670355614 0.82329933697190 0.87500000000000 22.990 > 1 41 Na 0.16247329644386 0.17670066302810 0.12500000000000 22.990 > 9 42 Na 0.66247329644386 0.17670066302810 0.12500000000000 22.990 > 9 43 Na 0.16247329644386 0.67670066302810 0.12500000000000 22.990 > 9 44 Na 0.66247329644386 0.67670066302810 0.12500000000000 22.990 > 9 45 Na 0.16247329644386 0.17670066302810 0.62500000000000 22.990 > 9 46 Na 0.66247329644386 0.17670066302810 0.62500000000000 22.990 > 9 47 Na 0.16247329644386 0.67670066302810 0.62500000000000 22.990 > 9 48 Na 0.66247329644386 0.67670066302810 0.62500000000000 22.990 > 9 49 Na 0.33752670355614 0.17670066302810 0.12500000000000 22.990 > 17 50 Na 0.83752670355614 0.17670066302810 0.12500000000000 22.990 > 17 51 Na 0.33752670355614 0.67670066302810 0.12500000000000 22.990 > 17 52 Na 0.83752670355614 0.67670066302810 0.12500000000000 22.990 > 17 53 Na 0.33752670355614 0.17670066302810 0.62500000000000 22.990 > 17 54 Na 0.83752670355614 0.17670066302810 0.62500000000000 22.990 > 17 55 Na 0.33752670355614 0.67670066302810 0.62500000000000 22.990 > 17 56 Na 0.83752670355614 0.67670066302810 0.62500000000000 22.990 > 17 57 Na 0.16247329644386 0.32329933697190 0.37500000000000 22.990 > 25 58 Na 0.66247329644386 0.32329933697190 0.37500000000000 22.990 > 25 59 Na 0.16247329644386 0.82329933697190 0.37500000000000 22.990 > 25 60 Na 0.66247329644386 0.82329933697190 0.37500000000000 22.990 > 25 61 Na 0.16247329644386 0.32329933697190 0.87500000000000 22.990 > 25 62 Na 0.66247329644386 0.32329933697190 0.87500000000000 22.990 > 25 63 Na 0.16247329644386 0.82329933697190 0.87500000000000 22.990 > 25 64 Na 0.66247329644386 0.82329933697190 0.87500000000000 22.990 > 25 65 Cu 0.25000000000000 0.00000000000000 0.25000000000000 63.546 > 65 66 Cu 0.75000000000000 0.00000000000000 0.25000000000000 63.546 > 65 67 Cu 0.25000000000000 0.50000000000000 0.25000000000000 63.546 > 65 68 Cu 0.75000000000000 0.50000000000000 0.25000000000000 63.546 > 65 69 Cu 0.25000000000000 0.00000000000000 0.75000000000000 63.546 > 65 70 Cu 0.75000000000000 0.00000000000000 0.75000000000000 63.546 > 65 71 Cu 0.25000000000000 0.50000000000000 0.75000000000000 63.546 > 65 72 Cu 0.75000000000000 0.50000000000000 0.75000000000000 63.546 > 65 73 Cu 0.25000000000000 0.00000000000000 0.00000000000000 63.546 > 73 74 Cu 0.75000000000000 0.00000000000000 0.00000000000000 63.546 > 73 75 Cu 0.25000000000000 0.50000000000000 0.00000000000000 63.546 > 73 76 Cu 0.75000000000000 0.50000000000000 0.00000000000000 63.546 > 73 77 Cu 0.25000000000000 0.00000000000000 0.50000000000000 63.546 > 73 78 Cu 0.75000000000000 0.00000000000000 0.50000000000000 63.546 > 73 79 Cu 0.25000000000000 0.50000000000000 0.50000000000000 63.546 > 73 80 Cu 0.75000000000000 0.50000000000000 0.50000000000000 63.546 > 73 81 Cu 0.00000000000000 0.25000000000000 0.25000000000000 63.546 > 65 82 Cu 0.50000000000000 0.25000000000000 0.25000000000000 63.546 > 65 83 Cu 0.00000000000000 0.75000000000000 0.25000000000000 63.546 > 65 84 Cu 0.50000000000000 0.75000000000000 0.25000000000000 63.546 > 65 85 Cu 0.00000000000000 0.25000000000000 0.75000000000000 63.546 > 65 86 Cu 0.50000000000000 0.25000000000000 0.75000000000000 63.546 > 65 87 Cu 0.00000000000000 0.75000000000000 0.75000000000000 63.546 > 65 88 Cu 0.50000000000000 0.75000000000000 0.75000000000000 63.546 > 65 89 Cu 0.00000000000000 0.25000000000000 0.00000000000000 63.546 > 73 90 Cu 0.50000000000000 0.25000000000000 0.00000000000000 63.546 > 73 91 Cu 0.00000000000000 0.75000000000000 0.00000000000000 63.546 > 73 92 Cu 0.50000000000000 0.75000000000000 0.00000000000000 63.546 > 73 93 Cu 0.00000000000000 0.25000000000000 0.50000000000000 63.546 > 73 94 Cu 0.50000000000000 0.25000000000000 0.50000000000000 63.546 > 73 95 Cu 0.00000000000000 0.75000000000000 0.50000000000000 63.546 > 73 96 Cu 0.50000000000000 0.75000000000000 0.50000000000000 63.546 > 73 97 As 0.25000000000000 0.13485537320308 0.37500000000000 74.922 > 97 98 As 0.75000000000000 0.13485537320308 0.37500000000000 74.922 > 97 99 As 0.25000000000000 0.63485537320308 0.37500000000000 74.922 > 97 100 As 0.75000000000000 0.63485537320308 0.37500000000000 74.922 > 97 101 As 0.25000000000000 0.13485537320308 0.87500000000000 74.922 > 97 102 As 0.75000000000000 0.13485537320308 0.87500000000000 74.922 > 97 103 As 0.25000000000000 0.63485537320308 0.87500000000000 74.922 > 97 104 As 0.75000000000000 0.63485537320308 0.87500000000000 74.922 > 97 105 As 0.25000000000000 0.36514462679692 0.12500000000000 74.922 > 105 106 As 0.75000000000000 0.36514462679692 0.12500000000000 74.922 > 105 107 As 0.25000000000000 0.86514462679692 0.12500000000000 74.922 > 105 108 As 0.75000000000000 0.86514462679692 0.12500000000000 74.922 > 105 109 As 0.25000000000000 0.36514462679692 0.62500000000000 74.922 > 105 110 As 0.75000000000000 0.36514462679692 0.62500000000000 74.922 > 105 111 As 0.25000000000000 0.86514462679692 0.62500000000000 74.922 > 105 112 As 0.75000000000000 0.86514462679692 0.62500000000000 74.922 > 105 113 As 0.00000000000000 0.38485537320308 0.37500000000000 74.922 > 97 114 As 0.50000000000000 0.38485537320308 0.37500000000000 74.922 > 97 115 As 0.00000000000000 0.88485537320308 0.37500000000000 74.922 > 97 116 As 0.50000000000000 0.88485537320308 0.37500000000000 74.922 > 97 117 As 0.00000000000000 0.38485537320308 0.87500000000000 74.922 > 97 118 As 0.50000000000000 0.38485537320308 0.87500000000000 74.922 > 97 119 As 0.00000000000000 0.88485537320308 0.87500000000000 74.922 > 97 120 As 0.50000000000000 0.88485537320308 0.87500000000000 74.922 > 97 121 As 0.00000000000000 0.11514462679692 0.12500000000000 74.922 > 105 122 As 0.50000000000000 0.11514462679692 0.12500000000000 74.922 > 105 123 As 0.00000000000000 0.61514462679692 0.12500000000000 74.922 > 105 124 As 0.50000000000000 0.61514462679692 0.12500000000000 74.922 > 105 125 As 0.00000000000000 0.11514462679692 0.62500000000000 74.922 > 105 126 As 0.50000000000000 0.11514462679692 0.62500000000000 74.922 > 105 127 As 0.00000000000000 0.61514462679692 0.62500000000000 74.922 > 105 128 As 0.50000000000000 0.61514462679692 0.62500000000000 74.922 > 105 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 8.7115641 0.0000000 0.0000000 0.0000000 10.9588395 0.0000000 0.0000000 0.0000000 26.0295687 -------------------------- Born effective charges -------------------------- 1 Na 1.1793387 -0.0151019 0.0000000 -0.1978231 1.1642441 0.0000000 0.0000000 0.0000000 1.1986575 2 Na 1.1793387 -0.0151019 0.0000000 -0.1978231 1.1642441 0.0000000 0.0000000 0.0000000 1.1986575 3 Na 1.1793387 0.0151019 0.0000000 0.1978231 1.1642441 0.0000000 0.0000000 0.0000000 1.1986575 4 Na 1.1793387 0.0151019 0.0000000 0.1978231 1.1642441 0.0000000 0.0000000 0.0000000 1.1986575 5 Cu -0.6676972 0.0000000 0.0000000 0.0000000 0.6337257 0.6275219 0.0000000 2.2208621 1.3533018 6 Cu -0.6676972 0.0000000 0.0000000 0.0000000 0.6337257 -0.6275219 0.0000000 -2.2208621 1.3533018 7 As -1.6909802 0.0000000 0.0000000 0.0000000 -2.9622139 0.0000000 0.0000000 0.0000000 -3.7506167 8 As -1.6909802 0.0000000 0.0000000 0.0000000 -2.9622139 0.0000000 0.0000000 0.0000000 -3.7506167 ---------------------------------------------------------------------------- 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 (yz) 0.00000000 (yz) --------------------------- 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 9 ] 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: 0.76, Number of G-points: 299, Lambda: 0.31 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/125) ======================= 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 2.11e-04 2.11e-04 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.703 ( 0.000 0.000 0.000) 0.000 2.893 ( 0.000 0.000 0.000) 0.000 2.906 ( 0.000 0.000 0.000) 0.000 2.984 ( 0.000 0.000 0.000) 0.000 3.429 ( 0.000 0.000 0.000) 0.000 3.563 ( 0.000 0.000 0.000) 0.000 3.577 ( 0.000 0.000 0.000) 0.000 3.871 ( 0.000 0.000 0.000) 0.000 3.991 ( 0.000 0.000 0.000) 0.000 4.157 ( 0.000 0.000 0.000) 0.000 4.364 ( 0.000 0.000 0.000) 0.000 4.414 ( 0.000 0.000 0.000) 0.000 4.503 ( 0.000 0.000 0.000) 0.000 5.076 ( 0.000 0.000 0.000) 0.000 5.260 ( 0.000 0.000 0.000) 0.000 5.575 ( 0.000 0.000 0.000) 0.000 5.644 ( 0.000 0.000 0.000) 0.000 5.818 ( 0.000 0.000 0.000) 0.000 6.624 ( 0.000 0.000 0.000) 0.000 7.397 ( 0.000 0.000 0.000) 0.000 8.976 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/125) ======================= 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 2.11e-04 2.11e-04 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.555 ( 27.782 -12.224 0.000) 30.353 0.557 ( 8.988 -27.238 0.000) 28.683 0.748 ( 15.186 -33.892 0.000) 37.139 2.727 ( 3.272 0.361 0.000) 3.292 2.886 ( 0.093 0.892 0.000) 0.896 2.915 ( 0.143 -0.897 0.000) 0.908 3.029 ( 3.789 -2.203 0.000) 4.383 3.399 ( -3.765 0.602 0.000) 3.813 3.514 ( -2.621 3.554 0.000) 4.416 3.811 ( -1.208 3.964 0.000) 4.144 3.973 ( -27.036 -13.431 0.000) 30.188 3.994 ( -3.364 12.309 0.000) 12.760 4.062 ( -3.945 -8.345 0.000) 9.231 4.438 ( 3.780 -4.997 0.000) 6.266 4.560 ( 1.759 -12.028 0.000) 12.156 4.628 ( 3.655 5.963 0.000) 6.994 4.979 ( -10.354 2.523 0.000) 10.657 5.528 ( 14.612 15.535 0.000) 21.327 5.614 ( 3.694 -1.239 0.000) 3.896 5.783 ( 12.613 -1.428 0.000) 12.693 5.791 ( -0.777 2.689 0.000) 2.799 6.604 ( 0.949 3.475 0.000) 3.602 7.402 ( 0.509 -0.240 0.000) 0.563 9.143 ( -8.264 -6.705 0.000) 10.642 ======================= Grid point 2 (3/125) ======================= 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 2.11e-04 2.11e-04 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.070 ( 7.907 -23.941 0.000) 25.213 1.078 ( 24.878 -11.633 0.000) 27.464 1.428 ( 13.446 -28.701 0.000) 31.695 2.742 ( 1.626 2.573 0.000) 3.044 2.869 ( 0.143 1.379 0.000) 1.386 2.935 ( 0.113 -1.372 0.000) 1.377 3.162 ( 7.521 -4.824 0.000) 8.935 3.327 ( -5.964 -0.076 0.000) 5.964 3.408 ( -3.402 4.551 0.000) 5.682 3.718 ( -4.946 3.624 0.000) 6.132 3.749 ( -3.436 12.638 0.000) 13.097 3.839 ( -8.238 -0.752 0.000) 8.272 4.141 ( -3.786 -6.838 0.000) 7.816 4.567 ( 3.751 7.347 0.000) 8.249 4.587 ( 4.149 -6.639 0.000) 7.829 4.778 ( -11.929 3.995 0.000) 12.580 4.779 ( 2.004 -12.548 0.000) 12.707 5.446 ( 1.288 7.065 0.000) 7.181 5.708 ( 5.749 -2.014 0.000) 6.092 5.714 ( -1.451 5.280 0.000) 5.476 5.969 ( 6.859 -5.582 0.000) 8.844 6.536 ( 0.848 6.499 0.000) 6.554 7.415 ( 0.732 -0.312 0.000) 0.796 9.143 ( -3.962 -3.154 0.000) 5.064 ======================= Grid point 3 (4/125) ======================= 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 2.11e-04 2.11e-04 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.493 ( 5.943 -17.875 0.000) 18.837 1.539 ( 19.790 -10.421 0.000) 22.367 1.962 ( 10.639 -18.753 0.000) 21.561 2.678 ( -3.634 3.792 0.000) 5.252 2.850 ( 0.133 1.225 0.000) 1.232 2.961 ( 0.060 -1.925 0.000) 1.926 3.229 ( -2.503 1.252 0.000) 2.798 3.285 ( -3.189 6.131 0.000) 6.911 3.374 ( 4.827 -6.742 0.000) 8.292 3.535 ( -2.515 8.709 0.000) 9.065 3.597 ( -3.336 3.518 0.000) 4.849 3.804 ( -1.032 -1.274 0.000) 1.639 4.163 ( -4.629 -2.638 0.000) 5.329 4.489 ( -1.757 5.425 0.000) 5.703 4.597 ( -4.193 3.629 0.000) 5.545 4.728 ( 2.958 -4.943 0.000) 5.760 5.003 ( 2.275 -12.410 0.000) 12.616 5.348 ( -1.923 4.497 0.000) 4.891 5.590 ( -1.980 7.706 0.000) 7.957 5.808 ( 4.078 -2.632 0.000) 4.854 6.111 ( 3.056 -4.099 0.000) 5.113 6.431 ( 0.255 7.134 0.000) 7.139 7.428 ( 0.596 -0.219 0.000) 0.635 9.142 ( -2.225 -1.655 0.000) 2.773 ======================= Grid point 4 (5/125) ======================= 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 2.11e-04 2.11e-04 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.752 ( 2.408 -7.169 0.000) 7.563 1.869 ( 9.361 -5.789 0.000) 11.007 2.258 ( 5.750 -5.221 0.000) 7.766 2.555 ( -5.729 2.357 0.000) 6.195 2.837 ( 0.057 0.486 0.000) 0.489 3.007 ( 0.575 -3.622 0.000) 3.668 3.139 ( -2.150 6.831 0.000) 7.161 3.195 ( -1.669 -0.617 0.000) 1.780 3.430 ( -0.813 2.281 0.000) 2.421 3.497 ( 1.795 -2.431 0.000) 3.022 3.541 ( 0.450 1.608 0.000) 1.670 3.828 ( 0.272 -1.369 0.000) 1.396 4.128 ( -2.155 0.357 0.000) 2.184 4.378 ( -3.209 2.048 0.000) 3.807 4.557 ( 0.868 1.039 0.000) 1.354 4.807 ( 1.034 -1.769 0.000) 2.049 5.223 ( 2.451 -11.505 0.000) 11.763 5.272 ( -1.313 1.837 0.000) 2.258 5.424 ( -2.332 9.837 0.000) 10.110 5.883 ( 1.597 -1.728 0.000) 2.353 6.169 ( 0.479 -0.618 0.000) 0.781 6.347 ( 0.146 2.903 0.000) 2.907 7.436 ( 0.223 -0.072 0.000) 0.235 9.140 ( -0.756 -0.531 0.000) 0.924 ======================= Grid point 10 (6/125) ======================= 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 2.11e-04 2.11e-04 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.433 ( 16.892 0.000 0.000) 16.892 0.506 ( 19.225 0.000 0.000) 19.225 1.077 ( 39.887 0.000 0.000) 39.887 2.777 ( 3.256 0.000 0.000) 3.256 2.895 ( 0.135 0.000 0.000) 0.135 2.910 ( 0.232 0.000 0.000) 0.232 3.072 ( 4.573 0.000 0.000) 4.573 3.270 ( -7.482 -0.000 0.000) 7.482 3.487 ( -5.634 -0.000 0.000) 5.634 3.684 ( 4.504 0.000 0.000) 4.504 3.872 ( 0.153 0.000 0.000) 0.153 3.944 ( -3.589 -0.000 0.000) 3.589 4.042 ( -6.140 -0.000 0.000) 6.140 4.450 ( 2.540 0.000 0.000) 2.540 4.507 ( 8.226 0.000 0.000) 8.226 4.683 ( 1.107 0.000 0.000) 1.107 4.845 ( -12.386 -0.000 0.000) 12.386 5.405 ( -14.183 -0.000 0.000) 14.183 5.753 ( 9.059 0.000 0.000) 9.059 5.798 ( -1.510 -0.000 0.000) 1.510 6.156 ( 5.959 0.000 0.000) 5.959 6.661 ( 2.684 0.000 0.000) 2.684 7.410 ( 0.962 0.000 0.000) 0.962 8.974 ( -0.199 -0.000 0.000) 0.199 ======================= Grid point 11 (7/125) ======================= 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 2.11e-04 2.11e-04 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.882 ( 14.537 -16.059 0.000) 21.662 0.889 ( 11.355 -25.636 0.000) 28.038 1.578 ( 33.290 -3.733 0.000) 33.499 2.771 ( -4.369 1.065 0.000) 4.497 2.889 ( 0.102 0.887 0.000) 0.893 2.919 ( 0.077 -0.791 0.000) 0.795 3.175 ( 6.025 -3.838 0.000) 7.144 3.224 ( -3.544 -1.901 0.000) 4.021 3.393 ( -6.539 1.465 0.000) 6.701 3.720 ( 0.723 2.195 0.000) 2.311 3.810 ( -0.912 2.805 0.000) 2.949 3.875 ( -5.165 9.896 0.000) 11.162 3.984 ( -3.491 -6.751 0.000) 7.600 4.556 ( 4.114 -6.618 0.000) 7.792 4.658 ( 6.178 -6.174 0.000) 8.734 4.667 ( -4.044 3.869 0.000) 5.597 4.696 ( -4.040 1.329 0.000) 4.252 5.292 ( -14.051 -7.542 0.000) 15.947 5.754 ( -2.101 2.643 0.000) 3.376 5.830 ( 6.763 3.136 0.000) 7.454 6.143 ( 8.306 7.034 0.000) 10.884 6.652 ( 2.464 5.225 0.000) 5.777 7.424 ( 1.094 -0.052 0.000) 1.095 9.022 ( -2.208 -5.237 0.000) 5.683 ======================= Grid point 12 (8/125) ======================= 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 2.11e-04 2.11e-04 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.310 ( 10.116 -17.240 0.000) 19.989 1.415 ( 8.664 -23.815 0.000) 25.342 2.006 ( 21.784 -4.987 0.000) 22.347 2.641 ( -11.114 1.675 0.000) 11.239 2.872 ( -0.003 1.358 0.000) 1.358 2.934 ( -0.224 -1.359 0.000) 1.377 3.162 ( -5.410 0.226 0.000) 5.415 3.293 ( -5.345 1.370 0.000) 5.517 3.363 ( 7.711 -4.857 0.000) 9.113 3.642 ( -4.581 11.049 0.000) 11.961 3.688 ( 4.977 4.443 0.000) 6.671 3.786 ( -0.124 -0.277 0.000) 0.303 4.032 ( -3.978 -5.146 0.000) 6.504 4.509 ( -5.715 5.114 0.000) 7.669 4.661 ( 1.613 3.611 0.000) 3.955 4.715 ( 5.296 -4.866 0.000) 7.192 4.847 ( 3.303 -10.278 0.000) 10.796 5.251 ( -10.511 -6.212 0.000) 12.210 5.663 ( -2.514 5.185 0.000) 5.762 5.845 ( 3.546 2.393 0.000) 4.278 6.170 ( 5.814 1.912 0.000) 6.120 6.566 ( 1.243 8.274 0.000) 8.367 7.437 ( 0.864 0.092 0.000) 0.869 9.067 ( -2.025 -3.972 0.000) 4.458 ======================= Grid point 13 (9/125) ======================= 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 2.11e-04 2.11e-04 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.649 ( 5.901 -11.925 0.000) 13.305 1.823 ( 6.375 -13.808 0.000) 15.208 2.183 ( -5.775 -1.467 0.000) 5.958 2.537 ( 0.017 -1.473 0.000) 1.473 2.850 ( -0.154 1.171 0.000) 1.181 2.963 ( 0.254 -2.754 0.000) 2.766 3.097 ( -5.508 -2.277 0.000) 5.961 3.206 ( -2.884 3.836 0.000) 4.799 3.443 ( -4.483 5.700 0.000) 7.252 3.500 ( 5.302 -1.418 0.000) 5.488 3.698 ( 7.448 5.704 0.000) 9.381 3.812 ( 0.937 -1.875 0.000) 2.096 4.047 ( -3.483 -3.079 0.000) 4.649 4.399 ( -0.158 3.055 0.000) 3.059 4.623 ( 1.644 3.755 0.000) 4.099 4.823 ( 4.279 -0.997 0.000) 4.393 5.062 ( 2.221 -12.272 0.000) 12.471 5.219 ( -5.751 -3.156 0.000) 6.560 5.529 ( -2.727 7.566 0.000) 8.042 5.853 ( -0.517 -0.766 0.000) 0.924 6.203 ( 2.701 1.158 0.000) 2.939 6.445 ( 0.932 7.792 0.000) 7.848 7.442 ( 0.439 0.297 0.000) 0.530 9.101 ( -0.920 -2.893 0.000) 3.036 ======================= Grid point 14 (10/125) ======================= 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 2.11e-04 2.11e-04 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.798 ( 1.138 -0.467 0.000) 1.230 1.806 ( -16.318 7.553 0.000) 17.981 2.179 ( -2.176 -7.273 0.000) 7.592 2.604 ( 3.989 -0.866 0.000) 4.082 2.834 ( -0.232 0.401 0.000) 0.464 3.039 ( 2.098 -3.634 0.000) 4.196 3.101 ( -0.852 3.792 0.000) 3.887 3.110 ( -3.818 -5.969 0.000) 7.086 3.370 ( -3.737 -2.450 0.000) 4.468 3.527 ( 1.034 3.149 0.000) 3.314 3.680 ( 7.315 7.862 0.000) 10.739 3.841 ( 0.133 -0.317 0.000) 0.344 4.064 ( -2.522 -4.965 0.000) 5.569 4.427 ( 7.107 -0.354 0.000) 7.115 4.586 ( 1.561 3.157 0.000) 3.522 4.853 ( 2.321 2.570 0.000) 3.463 5.218 ( -2.508 -3.475 0.000) 4.286 5.278 ( 1.772 -11.503 0.000) 11.639 5.359 ( -2.603 9.436 0.000) 9.789 5.838 ( -4.725 -0.859 0.000) 4.803 6.205 ( 1.608 1.297 0.000) 2.066 6.366 ( 1.451 4.113 0.000) 4.362 7.439 ( 0.017 0.455 0.000) 0.456 9.136 ( 0.335 -1.926 0.000) 1.955 ======================= Grid point 15 (11/125) ======================= 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 2.11e-04 2.11e-04 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.395 ( -23.436 10.490 0.000) 25.676 1.689 ( -2.194 12.694 0.000) 12.882 2.154 ( -0.932 10.159 0.000) 10.201 2.657 ( 1.002 -2.009 0.000) 2.245 2.833 ( -0.196 -0.563 0.000) 0.596 3.000 ( -0.084 3.548 0.000) 3.549 3.152 ( -3.911 -4.783 0.000) 6.179 3.211 ( 3.390 -7.879 0.000) 8.577 3.410 ( -2.155 -7.674 0.000) 7.971 3.448 ( -0.789 5.915 0.000) 5.967 3.668 ( 6.246 3.393 0.000) 7.108 3.843 ( 2.353 0.561 0.000) 2.419 4.149 ( -0.920 -7.932 0.000) 7.985 4.470 ( 0.488 3.842 0.000) 3.873 4.648 ( 10.192 -3.187 0.000) 10.679 4.801 ( 0.363 6.019 0.000) 6.030 5.163 ( -2.052 11.195 0.000) 11.381 5.254 ( -2.585 -4.561 0.000) 5.243 5.471 ( 1.319 -10.014 0.000) 10.101 5.756 ( -7.531 0.947 0.000) 7.591 6.203 ( 2.516 3.889 0.000) 4.632 6.354 ( 0.554 -1.612 0.000) 1.704 7.429 ( -0.262 0.560 0.000) 0.619 9.169 ( 1.271 -0.976 0.000) 1.603 ======================= Grid point 16 (12/125) ======================= 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 2.11e-04 2.11e-04 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.917 ( -21.291 13.190 0.000) 25.046 1.377 ( -2.631 22.019 0.000) 22.175 1.836 ( -1.459 27.190 0.000) 27.229 2.688 ( -0.999 -1.875 0.000) 2.124 2.846 ( -0.107 -1.265 0.000) 1.269 2.959 ( -0.047 1.900 0.000) 1.901 3.133 ( -4.223 1.008 0.000) 4.342 3.352 ( 1.684 -5.910 0.000) 6.145 3.379 ( 1.283 1.918 0.000) 2.307 3.568 ( 0.379 -13.192 0.000) 13.198 3.717 ( 1.970 -1.450 0.000) 2.447 3.944 ( 9.876 -4.941 0.000) 11.043 4.253 ( 1.854 -2.685 0.000) 3.263 4.392 ( -5.591 -0.167 0.000) 5.594 4.680 ( -0.872 8.566 0.000) 8.611 4.847 ( 9.058 -4.751 0.000) 10.229 4.958 ( -1.056 12.239 0.000) 12.285 5.277 ( -4.620 -3.674 0.000) 5.903 5.625 ( 0.716 -7.811 0.000) 7.844 5.642 ( -6.989 1.129 0.000) 7.080 6.118 ( 2.007 10.192 0.000) 10.388 6.428 ( -0.000 -6.278 0.000) 6.278 7.416 ( -0.288 0.597 0.000) 0.663 9.198 ( 1.600 -0.357 0.000) 1.639 ======================= Grid point 17 (13/125) ======================= 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 2.11e-04 2.11e-04 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.511 ( 0.000 16.341 0.000) 16.341 0.960 ( 0.000 27.800 0.000) 27.800 1.307 ( 0.000 37.284 0.000) 37.284 2.699 ( -0.000 -0.801 0.000) 0.801 2.867 ( -0.000 -1.389 0.000) 1.389 2.933 ( 0.000 1.453 0.000) 1.453 3.056 ( 0.000 3.934 0.000) 3.934 3.394 ( -0.000 -1.529 0.000) 1.529 3.453 ( -0.000 -5.579 0.000) 5.579 3.759 ( -0.000 -2.855 0.000) 2.855 3.796 ( -0.000 -14.400 0.000) 14.400 4.150 ( -0.000 -0.523 0.000) 0.523 4.277 ( -0.000 -4.797 0.000) 4.797 4.392 ( -0.000 -6.911 0.000) 6.911 4.531 ( 0.000 8.757 0.000) 8.757 4.752 ( 0.000 12.974 0.000) 12.974 4.985 ( -0.000 -4.623 0.000) 4.623 5.263 ( -0.000 -0.550 0.000) 0.550 5.575 ( 0.000 0.562 0.000) 0.562 5.733 ( -0.000 -5.328 0.000) 5.328 5.947 ( 0.000 12.861 0.000) 12.861 6.526 ( -0.000 -5.709 0.000) 5.709 7.405 ( 0.000 0.491 0.000) 0.491 9.217 ( -0.000 -0.311 0.000) 0.311 ======================= Grid point 20 (14/125) ======================= 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 2.11e-04 2.11e-04 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.845 ( 15.375 0.000 0.000) 15.375 0.958 ( 16.246 0.000 0.000) 16.246 1.941 ( 26.846 0.000 0.000) 26.846 2.648 ( -14.353 -0.000 0.000) 14.353 2.897 ( 0.000 0.000 0.000) 0.000 2.912 ( -0.276 -0.000 0.000) 0.276 3.182 ( -1.502 -0.000 0.000) 1.502 3.265 ( 10.904 0.000 0.000) 10.904 3.305 ( -8.230 -0.000 0.000) 8.230 3.778 ( 3.555 0.000 0.000) 3.555 3.812 ( -6.736 -0.000 0.000) 6.736 3.896 ( -5.205 -0.000 0.000) 5.205 3.897 ( 2.965 0.000 0.000) 2.965 4.524 ( 2.970 0.000 0.000) 2.970 4.620 ( -4.158 -0.000 0.000) 4.158 4.715 ( 1.193 0.000 0.000) 1.193 4.724 ( 8.509 0.000 0.000) 8.509 5.048 ( -12.405 -0.000 0.000) 12.405 5.745 ( -2.566 -0.000 0.000) 2.566 5.920 ( 3.560 0.000 0.000) 3.560 6.257 ( 2.148 0.000 0.000) 2.148 6.729 ( 1.853 0.000 0.000) 1.853 7.439 ( 1.155 0.000 0.000) 1.155 8.966 ( -0.417 -0.000 0.000) 0.417 ======================= Grid point 21 (15/125) ======================= 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 2.11e-04 2.11e-04 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.189 ( 11.669 -18.074 0.000) 21.514 1.236 ( 12.840 -10.010 0.000) 16.281 2.216 ( 13.729 1.135 0.000) 13.776 2.453 ( -15.279 -2.421 0.000) 15.469 2.889 ( -0.188 0.901 0.000) 0.921 2.910 ( -0.981 -0.836 0.000) 1.289 3.124 ( -5.164 2.044 0.000) 5.554 3.209 ( -7.317 -0.943 0.000) 7.377 3.433 ( 11.559 -1.840 0.000) 11.705 3.731 ( -5.383 -1.141 0.000) 5.502 3.754 ( -4.243 9.172 0.000) 10.105 3.810 ( 2.929 0.561 0.000) 2.982 3.976 ( 5.892 -1.188 0.000) 6.010 4.545 ( -1.020 5.097 0.000) 5.198 4.638 ( 2.610 -8.762 0.000) 9.143 4.713 ( 0.197 1.498 0.000) 1.511 4.838 ( 7.238 -1.406 0.000) 7.374 4.999 ( -7.414 -8.387 0.000) 11.194 5.690 ( -2.808 2.604 0.000) 3.829 5.922 ( 0.506 2.816 0.000) 2.861 6.257 ( 1.924 2.044 0.000) 2.807 6.694 ( 0.298 5.679 0.000) 5.687 7.451 ( 0.901 0.187 0.000) 0.920 8.987 ( -0.862 -3.158 0.000) 3.273 ======================= Grid point 22 (16/125) ======================= 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 2.11e-04 2.11e-04 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.549 ( 8.301 -11.535 0.000) 14.212 1.627 ( 7.814 -20.179 0.000) 21.639 2.076 ( -17.602 5.399 0.000) 18.411 2.513 ( 5.443 -4.834 0.000) 7.279 2.866 ( -0.473 1.271 0.000) 1.356 2.920 ( -0.942 -2.380 0.000) 2.560 3.021 ( -5.460 0.949 0.000) 5.542 3.158 ( -4.831 -2.258 0.000) 5.333 3.535 ( -3.581 11.457 0.000) 12.003 3.567 ( 5.184 -0.419 0.000) 5.201 3.720 ( -2.530 -3.880 0.000) 4.632 3.846 ( 2.796 -0.175 0.000) 2.801 4.053 ( 6.635 2.555 0.000) 7.110 4.476 ( 3.614 4.077 0.000) 5.448 4.684 ( 0.275 2.184 0.000) 2.201 4.823 ( 2.953 -8.659 0.000) 9.149 4.948 ( 4.509 -3.802 0.000) 5.898 5.061 ( -3.925 -7.303 0.000) 8.291 5.593 ( -2.793 5.128 0.000) 5.839 5.861 ( -2.128 3.088 0.000) 3.750 6.251 ( 1.318 1.454 0.000) 1.963 6.581 ( -0.225 7.812 0.000) 7.816 7.455 ( 0.501 0.468 0.000) 0.686 9.034 ( -0.669 -3.939 0.000) 3.995 ======================= Grid point 23 (17/125) ======================= 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 2.11e-04 2.11e-04 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.713 ( -17.930 8.778 0.000) 19.964 1.772 ( 3.528 -6.228 0.000) 7.158 2.005 ( 3.335 -15.531 0.000) 15.885 2.612 ( 1.583 -1.978 0.000) 2.533 2.842 ( -0.368 0.997 0.000) 1.062 2.980 ( 1.074 -5.637 0.000) 5.738 2.988 ( -2.912 -3.568 0.000) 4.605 3.142 ( -2.182 -0.373 0.000) 2.214 3.331 ( -3.811 7.287 0.000) 8.223 3.581 ( -0.456 1.510 0.000) 1.577 3.781 ( 0.593 -5.002 0.000) 5.038 3.858 ( 1.067 2.426 0.000) 2.650 4.045 ( 3.053 5.695 0.000) 6.462 4.532 ( 9.023 0.174 0.000) 9.025 4.656 ( 1.439 2.534 0.000) 2.914 4.925 ( 3.343 0.843 0.000) 3.448 5.110 ( 1.473 -11.454 0.000) 11.548 5.115 ( -2.508 -4.928 0.000) 5.529 5.461 ( -2.385 7.449 0.000) 7.821 5.780 ( -4.749 1.638 0.000) 5.024 6.238 ( 0.389 1.575 0.000) 1.622 6.472 ( 0.990 6.035 0.000) 6.116 7.449 ( 0.148 0.686 0.000) 0.702 9.092 ( 0.004 -3.740 0.000) 3.740 ======================= Grid point 24 (18/125) ======================= 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 2.11e-04 2.11e-04 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.335 ( -13.776 12.439 0.000) 18.561 1.813 ( 0.182 4.136 0.000) 4.140 2.204 ( 1.559 -4.431 0.000) 4.697 2.638 ( -0.238 -1.103 0.000) 1.128 2.828 ( -0.161 0.290 0.000) 0.332 3.034 ( -1.780 -5.086 0.000) 5.388 3.077 ( 0.013 5.893 0.000) 5.893 3.128 ( 3.549 -8.779 0.000) 9.469 3.258 ( -4.602 -4.391 0.000) 6.361 3.524 ( -0.632 4.504 0.000) 4.548 3.797 ( 0.203 4.846 0.000) 4.850 3.886 ( 5.004 -2.168 0.000) 5.453 4.000 ( -2.868 -2.231 0.000) 3.634 4.567 ( 1.503 5.318 0.000) 5.526 4.717 ( 7.266 -3.126 0.000) 7.910 4.906 ( 1.389 5.084 0.000) 5.270 5.160 ( -1.508 -4.084 0.000) 4.353 5.301 ( -0.832 5.963 0.000) 6.021 5.313 ( 0.124 -8.313 0.000) 8.314 5.689 ( -5.216 1.658 0.000) 5.473 6.230 ( 0.389 -0.558 0.000) 0.680 6.409 ( 1.293 4.536 0.000) 4.716 7.438 ( -0.039 0.782 0.000) 0.783 9.148 ( 0.386 -2.902 0.000) 2.928 ======================= Grid point 25 (19/125) ======================= 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 2.11e-04 2.11e-04 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.015 ( 0.000 15.265 0.000) 15.265 1.659 ( 0.000 14.812 0.000) 14.812 2.153 ( 0.000 12.550 0.000) 12.550 2.656 ( -0.000 -1.486 0.000) 1.486 2.830 ( -0.000 -0.602 0.000) 0.602 2.999 ( 0.000 3.563 0.000) 3.563 3.089 ( -0.000 -3.201 0.000) 3.201 3.279 ( -0.000 -4.917 0.000) 4.917 3.356 ( -0.000 -13.041 0.000) 13.041 3.440 ( 0.000 4.950 0.000) 4.950 3.735 ( 0.000 2.530 0.000) 2.530 3.940 ( -0.000 -1.907 0.000) 1.907 4.099 ( -0.000 -10.793 0.000) 10.793 4.470 ( 0.000 7.426 0.000) 7.426 4.810 ( 0.000 7.806 0.000) 7.806 4.834 ( -0.000 -4.565 0.000) 4.565 5.134 ( 0.000 10.952 0.000) 10.952 5.206 ( -0.000 -3.017 0.000) 3.017 5.488 ( -0.000 -10.077 0.000) 10.077 5.619 ( 0.000 2.032 0.000) 2.032 6.242 ( 0.000 2.264 0.000) 2.264 6.365 ( 0.000 0.041 0.000) 0.041 7.425 ( 0.000 0.759 0.000) 0.759 9.188 ( -0.000 -1.796 0.000) 1.796 ======================= Grid point 30 (20/125) ======================= 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 2.11e-04 2.11e-04 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.195 ( 11.865 0.000 0.000) 11.865 1.319 ( 12.077 0.000 0.000) 12.077 2.180 ( -20.221 -0.000 0.000) 20.221 2.407 ( 10.866 0.000 0.000) 10.866 2.879 ( -2.743 -0.000 0.000) 2.743 2.894 ( -0.204 -0.000 0.000) 0.204 3.065 ( -6.789 -0.000 0.000) 6.789 3.110 ( -6.076 -0.000 0.000) 6.076 3.542 ( 2.368 0.000 0.000) 2.368 3.654 ( 1.228 0.000 0.000) 1.228 3.784 ( -3.551 -0.000 0.000) 3.551 3.825 ( 0.295 0.000 0.000) 0.295 4.092 ( 10.841 0.000 0.000) 10.841 4.590 ( 2.089 0.000 0.000) 2.089 4.609 ( 1.924 0.000 0.000) 1.924 4.712 ( -1.662 -0.000 0.000) 1.662 4.870 ( -0.534 -0.000 0.000) 0.534 4.922 ( 6.829 0.000 0.000) 6.829 5.675 ( -2.788 -0.000 0.000) 2.788 5.935 ( -1.910 -0.000 0.000) 1.910 6.283 ( 0.218 0.000 0.000) 0.218 6.730 ( -1.717 -0.000 0.000) 1.717 7.463 ( 0.697 0.000 0.000) 0.697 8.954 ( -0.445 -0.000 0.000) 0.445 ======================= Grid point 31 (21/125) ======================= 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 2.11e-04 2.11e-04 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.447 ( 7.999 -14.012 0.000) 16.135 1.510 ( 8.315 -6.644 0.000) 10.643 1.912 ( -17.522 3.115 0.000) 17.796 2.529 ( 5.186 -2.196 0.000) 5.632 2.848 ( -3.403 -1.513 0.000) 3.724 2.888 ( -0.270 0.325 0.000) 0.422 2.970 ( -5.553 1.129 0.000) 5.667 3.066 ( -3.315 -1.821 0.000) 3.782 3.511 ( -6.202 -3.147 0.000) 6.955 3.668 ( -2.424 8.989 0.000) 9.310 3.731 ( 6.094 0.731 0.000) 6.137 3.841 ( 0.211 -1.596 0.000) 1.609 4.207 ( 8.992 2.375 0.000) 9.300 4.597 ( 4.189 3.641 0.000) 5.550 4.689 ( 1.376 -8.879 0.000) 8.985 4.699 ( -0.513 0.142 0.000) 0.532 4.936 ( 1.018 -5.216 0.000) 5.314 4.998 ( 4.965 0.015 0.000) 4.965 5.621 ( -2.385 2.614 0.000) 3.539 5.877 ( -3.147 2.970 0.000) 4.328 6.278 ( 0.120 0.657 0.000) 0.668 6.665 ( -2.074 4.464 0.000) 4.922 7.467 ( 0.391 0.348 0.000) 0.524 8.972 ( -0.370 -2.773 0.000) 2.798 ======================= Grid point 32 (22/125) ======================= 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 2.11e-04 2.11e-04 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.649 ( -10.987 6.887 0.000) 12.967 1.704 ( 3.427 -7.675 0.000) 8.405 1.782 ( 3.469 -17.820 0.000) 18.154 2.600 ( 1.157 -1.639 0.000) 2.007 2.846 ( -0.890 -0.733 0.000) 1.153 2.898 ( -0.504 -3.711 0.000) 3.745 2.919 ( -2.170 -1.337 0.000) 2.549 3.074 ( -1.630 -2.818 0.000) 3.256 3.471 ( -1.338 12.132 0.000) 12.206 3.514 ( -3.474 -4.869 0.000) 5.981 3.774 ( 3.312 0.498 0.000) 3.349 3.853 ( -1.623 -0.528 0.000) 1.707 4.218 ( 4.206 7.046 0.000) 8.206 4.636 ( 5.832 0.249 0.000) 5.838 4.691 ( 0.142 0.656 0.000) 0.671 4.869 ( 0.836 -10.982 0.000) 11.014 5.019 ( -0.206 -4.566 0.000) 4.571 5.044 ( 2.342 -0.273 0.000) 2.357 5.535 ( -1.456 5.139 0.000) 5.341 5.776 ( -3.097 4.178 0.000) 5.200 6.265 ( 0.119 1.297 0.000) 1.302 6.564 ( -0.642 5.384 0.000) 5.422 7.462 ( 0.131 0.666 0.000) 0.679 9.026 ( -0.104 -4.194 0.000) 4.195 ======================= Grid point 33 (23/125) ======================= 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 2.11e-04 2.11e-04 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.435 ( 0.000 10.728 0.000) 10.728 1.818 ( -0.000 -3.644 0.000) 3.644 2.063 ( -0.000 -14.189 0.000) 14.189 2.621 ( -0.000 -0.850 0.000) 0.850 2.837 ( 0.000 0.781 0.000) 0.781 2.951 ( -0.000 -3.957 0.000) 3.957 3.003 ( -0.000 -8.929 0.000) 8.929 3.106 ( -0.000 -2.207 0.000) 2.207 3.278 ( 0.000 10.107 0.000) 10.107 3.551 ( -0.000 -1.130 0.000) 1.130 3.819 ( -0.000 -4.064 0.000) 4.064 3.832 ( 0.000 0.885 0.000) 0.885 4.104 ( 0.000 9.922 0.000) 9.922 4.650 ( 0.000 3.433 0.000) 3.433 4.715 ( -0.000 -2.747 0.000) 2.747 4.971 ( 0.000 0.802 0.000) 0.802 5.085 ( -0.000 -4.304 0.000) 4.304 5.131 ( -0.000 -10.542 0.000) 10.542 5.426 ( 0.000 7.405 0.000) 7.405 5.693 ( 0.000 3.163 0.000) 3.163 6.240 ( 0.000 1.554 0.000) 1.554 6.486 ( 0.000 4.407 0.000) 4.407 7.451 ( 0.000 0.823 0.000) 0.823 9.093 ( -0.000 -4.120 0.000) 4.120 ======================= Grid point 40 (24/125) ======================= 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 2.11e-04 2.11e-04 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.416 ( 4.885 0.000 0.000) 4.885 1.546 ( 5.072 0.000 0.000) 5.072 1.756 ( -10.397 -0.000 0.000) 10.397 2.562 ( 2.521 0.000 0.000) 2.521 2.786 ( -3.116 -0.000 0.000) 3.116 2.889 ( -0.133 -0.000 0.000) 0.133 2.918 ( -3.622 -0.000 0.000) 3.622 3.025 ( -1.192 -0.000 0.000) 1.192 3.413 ( -4.162 -0.000 0.000) 4.162 3.721 ( -1.296 -0.000 0.000) 1.296 3.806 ( 3.359 0.000 0.000) 3.359 3.824 ( -0.138 -0.000 0.000) 0.138 4.325 ( 5.725 0.000 0.000) 5.725 4.626 ( 0.733 0.000 0.000) 0.733 4.658 ( 1.267 0.000 0.000) 1.267 4.694 ( 0.145 0.000 0.000) 0.145 4.928 ( 2.721 0.000 0.000) 2.721 5.050 ( 2.866 0.000 0.000) 2.866 5.617 ( -1.422 -0.000 0.000) 1.422 5.869 ( -2.155 -0.000 0.000) 2.155 6.279 ( -0.269 -0.000 0.000) 0.269 6.672 ( -1.864 -0.000 0.000) 1.864 7.474 ( 0.193 0.000 0.000) 0.193 8.946 ( -0.188 -0.000 0.000) 0.188 ======================= Grid point 41 (25/125) ======================= 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 2.11e-04 2.11e-04 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.555 ( -0.000 -12.754 0.000) 12.754 1.623 ( -0.000 -5.296 0.000) 5.296 1.661 ( 0.000 3.506 0.000) 3.506 2.587 ( -0.000 -1.083 0.000) 1.083 2.789 ( -0.000 -2.985 0.000) 2.985 2.884 ( 0.000 0.450 0.000) 0.450 2.893 ( -0.000 -0.047 0.000) 0.047 3.030 ( -0.000 -1.514 0.000) 1.514 3.416 ( -0.000 -3.671 0.000) 3.671 3.636 ( 0.000 8.945 0.000) 8.945 3.819 ( 0.000 0.934 0.000) 0.934 3.827 ( -0.000 -0.501 0.000) 0.501 4.334 ( 0.000 3.667 0.000) 3.667 4.669 ( -0.000 -0.383 0.000) 0.383 4.695 ( 0.000 0.186 0.000) 0.186 4.707 ( -0.000 -8.843 0.000) 8.843 4.967 ( -0.000 -2.488 0.000) 2.488 5.066 ( 0.000 0.360 0.000) 0.360 5.587 ( 0.000 2.643 0.000) 2.643 5.823 ( 0.000 3.636 0.000) 3.636 6.277 ( 0.000 0.196 0.000) 0.196 6.630 ( 0.000 3.563 0.000) 3.563 7.472 ( 0.000 0.400 0.000) 0.400 8.968 ( -0.000 -2.800 0.000) 2.800 ======================= Grid point 83 (26/125) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.380 ( 0.000 0.000 18.148) 18.148 0.617 ( 0.000 0.000 28.880) 28.880 0.867 ( 0.000 0.000 40.025) 40.025 2.602 ( 0.000 0.000 -7.940) 7.940 2.925 ( 0.000 0.000 1.256) 1.256 2.948 ( 0.000 0.000 3.417) 3.417 2.984 ( 0.000 0.000 -0.036) 0.036 3.387 ( 0.000 0.000 -3.964) 3.964 3.527 ( 0.000 0.000 -3.951) 3.951 3.844 ( 0.000 0.000 -2.408) 2.408 3.847 ( 0.000 0.000 -3.185) 3.185 4.022 ( 0.000 0.000 1.965) 1.965 4.116 ( 0.000 0.000 -2.667) 2.667 4.157 ( 0.000 0.000 -15.881) 15.881 4.487 ( 0.000 0.000 10.624) 10.624 4.613 ( 0.000 0.000 2.763) 2.763 5.174 ( 0.000 0.000 8.223) 8.223 5.337 ( 0.000 0.000 6.640) 6.640 5.532 ( 0.000 0.000 -4.085) 4.085 5.664 ( 0.000 0.000 1.945) 1.945 5.820 ( 0.000 0.000 0.270) 0.270 6.537 ( 0.000 0.000 -7.760) 7.760 7.876 ( 0.000 0.000 5.967) 5.967 8.951 ( 0.000 0.000 -2.394) 2.394 ======================= Grid point 84 (27/125) ======================= q-point: ( 0.11 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.636 ( 6.558 -8.569 18.468) 21.389 0.688 ( 28.321 -6.051 10.210) 30.707 1.213 ( 5.621 -26.235 29.394) 39.798 2.630 ( 2.759 -0.864 -7.526) 8.063 2.915 ( 0.565 2.845 1.154) 3.122 2.937 ( 0.454 -0.895 1.504) 1.809 3.040 ( 2.683 -3.503 1.388) 4.625 3.344 ( -4.266 0.603 -3.245) 5.394 3.526 ( 0.250 2.531 -4.229) 4.935 3.739 ( -8.454 2.302 -4.365) 9.789 3.805 ( -1.128 4.581 -1.518) 4.955 3.953 ( -0.436 11.230 -4.511) 12.110 4.060 ( -1.839 -6.596 0.079) 6.848 4.310 ( 2.771 -7.560 -12.571) 14.929 4.557 ( -1.746 -4.944 6.406) 8.278 4.689 ( 5.994 -3.785 1.148) 7.181 5.062 ( -10.254 3.584 6.827) 12.830 5.356 ( 0.200 -2.321 2.368) 3.321 5.564 ( 7.566 2.409 -3.497) 8.676 5.787 ( 4.677 -7.705 1.104) 9.081 5.809 ( 0.794 1.224 1.434) 2.046 6.522 ( 0.935 2.858 -7.192) 7.795 7.766 ( -2.671 8.199 12.658) 15.316 9.002 ( -0.846 -5.146 -5.681) 7.712 ======================= Grid point 85 (28/125) ======================= q-point: ( 0.22 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.980 ( 7.165 -20.638 1.528) 21.900 1.165 ( 27.725 -7.578 5.274) 29.222 1.689 ( 7.245 -21.860 18.101) 29.291 2.670 ( 1.771 0.492 -5.723) 6.011 2.878 ( 0.676 2.721 -0.061) 2.804 2.965 ( 0.514 -1.799 1.943) 2.698 3.149 ( 5.088 -2.511 -0.543) 5.700 3.287 ( -4.004 -1.371 -2.085) 4.718 3.448 ( -2.291 4.363 -0.646) 4.970 3.581 ( -8.123 3.686 -5.640) 10.553 3.730 ( -0.754 3.826 -1.075) 4.045 3.792 ( -0.478 7.859 -3.180) 8.492 4.130 ( -3.608 -6.171 -0.627) 7.176 4.426 ( 3.327 -2.086 -10.817) 11.507 4.630 ( -1.122 -5.989 1.237) 6.218 4.777 ( -0.115 -0.461 2.968) 3.006 4.874 ( -6.446 2.301 3.962) 7.908 5.399 ( -0.987 -2.721 0.873) 3.023 5.605 ( 3.820 2.833 -4.600) 6.616 5.791 ( 2.115 1.521 2.837) 3.852 5.983 ( 4.774 -7.633 1.427) 9.115 6.468 ( 1.020 5.474 -5.774) 8.022 7.629 ( -1.268 5.389 13.487) 14.579 9.055 ( -1.691 -3.508 -6.249) 7.363 ======================= Grid point 86 (29/125) ======================= q-point: ( 0.33 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.395 ( 6.006 -20.151 -4.213) 21.445 1.598 ( 20.974 -7.238 3.409) 22.448 2.033 ( 6.611 -9.634 5.238) 12.804 2.639 ( -2.841 2.550 -3.098) 4.917 2.854 ( 0.791 1.329 -0.184) 1.557 2.998 ( 0.060 -1.447 1.940) 2.420 3.145 ( -0.787 4.805 -4.236) 6.454 3.326 ( -3.363 -3.556 1.606) 5.151 3.380 ( -1.244 1.073 -4.523) 4.813 3.467 ( -0.350 -0.243 3.024) 3.054 3.647 ( 0.179 4.719 2.278) 5.243 3.731 ( 0.747 0.896 -6.214) 6.323 4.158 ( -3.599 -3.200 -0.138) 4.818 4.469 ( 2.689 1.371 -5.695) 6.445 4.553 ( -10.492 3.554 2.516) 11.359 4.806 ( 2.136 -4.689 1.355) 5.327 4.909 ( 2.873 -3.893 -5.487) 7.316 5.403 ( -3.261 -1.422 4.343) 5.614 5.560 ( 0.342 5.435 -1.694) 5.703 5.823 ( 3.261 -0.617 0.918) 3.443 6.130 ( 2.124 -4.965 1.596) 5.631 6.384 ( 0.677 5.944 -3.808) 7.092 7.560 ( -0.288 2.547 10.341) 10.654 9.075 ( -1.447 -1.808 -5.624) 6.082 ======================= Grid point 87 (30/125) ======================= q-point: ( 0.44 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.727 ( 3.312 -12.583 -2.346) 13.221 1.864 ( 6.909 -1.397 -0.073) 7.050 2.170 ( 5.721 0.275 -5.477) 7.925 2.542 ( -4.822 1.831 -1.062) 5.266 2.856 ( 0.851 -0.008 1.587) 1.801 2.995 ( -1.757 0.507 -0.629) 1.934 3.059 ( -0.204 3.058 -4.322) 5.299 3.323 ( -0.933 -1.022 5.551) 5.721 3.333 ( -2.583 -0.128 -5.292) 5.890 3.541 ( 1.359 -2.826 4.482) 5.470 3.618 ( 2.404 1.804 4.141) 5.116 3.745 ( 0.749 -0.644 -7.439) 7.504 4.154 ( -1.270 -0.848 2.516) 2.943 4.364 ( -4.937 3.369 2.455) 6.462 4.499 ( 0.629 -0.089 -5.266) 5.304 4.881 ( 1.079 -1.609 2.819) 3.421 5.007 ( 2.052 -2.955 -13.502) 13.974 5.377 ( -3.213 -1.089 5.313) 6.303 5.481 ( 0.631 4.022 4.022) 5.723 5.869 ( 1.373 -0.807 -1.406) 2.124 6.186 ( 0.067 -0.774 1.527) 1.714 6.325 ( 0.526 1.999 -1.671) 2.658 7.533 ( -0.020 0.744 8.319) 8.353 9.080 ( -0.559 -0.558 -5.312) 5.371 ======================= Grid point 93 (31/125) ======================= q-point: ( 0.11 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.754 ( 9.667 0.000 23.554) 25.461 0.913 ( 15.265 0.000 22.885) 27.509 1.190 ( 30.434 0.000 15.044) 33.949 2.667 ( 3.485 0.000 -7.904) 8.639 2.929 ( 0.293 0.000 1.334) 1.366 2.959 ( 0.057 0.000 3.601) 3.601 3.051 ( 5.197 0.000 -0.588) 5.231 3.271 ( -5.825 -0.000 -0.026) 5.825 3.573 ( 1.627 0.000 -8.507) 8.661 3.606 ( -12.252 -0.000 2.908) 12.593 3.846 ( 0.267 0.000 -2.131) 2.147 3.966 ( -3.669 -0.000 1.299) 3.892 4.080 ( -2.445 -0.000 1.239) 2.741 4.214 ( 1.979 0.000 -15.383) 15.509 4.550 ( 4.091 0.000 6.035) 7.291 4.724 ( 4.672 0.000 -1.683) 4.966 4.947 ( -11.079 -0.000 7.576) 13.422 5.283 ( -6.201 -0.000 0.537) 6.224 5.692 ( 5.324 0.000 -4.191) 6.776 5.835 ( 2.580 0.000 2.115) 3.336 5.840 ( 11.438 0.000 -5.178) 12.555 6.565 ( 2.056 0.000 -7.369) 7.650 7.781 ( -5.329 -0.000 12.842) 13.903 8.948 ( -0.252 -0.000 -2.469) 2.482 ======================= Grid point 94 (32/125) ======================= q-point: ( 0.22 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.888 ( 12.232 -5.483 12.522) 18.344 1.268 ( 12.346 -16.082 18.925) 27.735 1.644 ( 27.447 -7.001 8.133) 29.471 2.689 ( -0.886 0.456 -6.078) 6.159 2.915 ( -1.533 1.785 1.134) 2.612 2.950 ( -0.096 -1.086 2.380) 2.618 3.167 ( 6.666 -3.856 -0.588) 7.723 3.217 ( -2.618 0.417 0.551) 2.708 3.439 ( -8.935 2.041 1.625) 9.308 3.564 ( -1.528 2.884 -9.663) 10.199 3.791 ( -0.417 4.714 -0.922) 4.821 3.934 ( -0.623 9.853 0.366) 9.880 3.986 ( -3.415 -6.147 0.027) 7.031 4.342 ( 0.270 -8.958 -13.378) 16.102 4.590 ( 0.818 0.230 1.813) 2.002 4.791 ( 0.479 0.840 4.345) 4.451 4.825 ( -2.118 -1.145 3.501) 4.249 5.244 ( -7.988 -6.418 1.699) 10.387 5.697 ( 0.765 3.003 -3.969) 5.035 5.855 ( 4.219 2.809 1.052) 5.177 6.005 ( 8.500 -2.849 -4.784) 10.162 6.563 ( 2.067 3.751 -6.786) 8.025 7.683 ( -2.974 4.104 14.373) 15.240 8.975 ( -1.026 -3.495 -3.702) 5.194 ======================= Grid point 95 (33/125) ======================= q-point: ( 0.33 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.209 ( 10.285 -15.044 0.304) 18.226 1.651 ( 10.267 -13.200 12.082) 20.631 2.042 ( 16.932 -5.948 4.067) 18.402 2.612 ( -7.808 1.483 -2.202) 8.248 2.876 ( -0.620 0.865 -0.027) 1.064 2.976 ( -0.090 -1.770 3.120) 3.588 3.160 ( -3.836 1.698 0.218) 4.201 3.268 ( -1.200 0.821 -1.479) 2.074 3.359 ( -0.390 -1.979 -2.521) 3.228 3.476 ( -0.670 3.970 -5.528) 6.839 3.736 ( 1.208 2.275 -1.393) 2.929 3.816 ( 3.356 6.534 0.813) 7.390 4.037 ( -2.868 -5.264 0.423) 6.010 4.462 ( 0.376 -5.168 -11.714) 12.809 4.509 ( -5.774 4.314 2.083) 7.502 4.805 ( 4.999 -1.285 3.701) 6.351 4.893 ( 2.543 -3.031 -0.830) 4.042 5.256 ( -7.919 -7.036 3.514) 11.160 5.637 ( -0.885 4.220 -1.941) 4.729 5.856 ( 2.083 1.955 0.407) 2.886 6.130 ( 4.874 -2.152 -2.036) 5.703 6.500 ( 1.221 6.608 -5.246) 8.525 7.600 ( -0.936 3.245 11.883) 12.354 9.015 ( -1.267 -3.292 -4.420) 5.655 ======================= Grid point 96 (34/125) ======================= q-point: ( 0.44 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.568 ( 7.263 -14.907 -3.789) 17.010 1.904 ( 5.507 -4.654 4.860) 8.695 2.171 ( -5.514 0.709 -0.720) 5.606 2.531 ( 0.177 -0.421 -0.312) 0.554 2.867 ( 0.216 0.294 1.094) 1.153 2.974 ( -2.333 0.512 1.324) 2.731 3.096 ( -1.891 0.870 -2.951) 3.611 3.218 ( -3.637 -1.957 4.326) 5.980 3.326 ( -2.444 1.594 -7.244) 7.810 3.505 ( 3.109 -1.265 0.085) 3.357 3.741 ( 1.645 0.055 -3.723) 4.071 3.798 ( 5.828 4.797 1.953) 7.797 4.081 ( -1.271 -3.546 3.023) 4.830 4.381 ( -1.182 3.755 2.126) 4.475 4.523 ( 1.704 -0.605 -8.010) 8.212 4.887 ( 3.149 -0.998 2.452) 4.114 4.982 ( 2.392 -3.712 -8.572) 9.643 5.263 ( -5.332 -5.502 5.971) 9.714 5.550 ( -1.419 4.643 1.468) 5.072 5.850 ( -1.091 -0.220 -0.716) 1.323 6.193 ( 1.794 -0.395 -0.554) 1.918 6.408 ( 1.248 6.089 -2.837) 6.833 7.553 ( -0.237 1.890 9.181) 9.376 9.048 ( -0.606 -2.478 -4.746) 5.388 ======================= Grid point 97 (35/125) ======================= q-point: (-0.44 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.776 ( -4.217 -0.853 -0.327) 4.314 1.855 ( -6.549 7.218 2.846) 10.154 2.061 ( -4.501 -2.499 -8.407) 9.858 2.583 ( 3.705 -0.749 -1.519) 4.073 2.851 ( -1.170 0.998 1.626) 2.238 2.972 ( 0.156 -3.435 -2.361) 4.171 3.058 ( -0.017 2.170 -3.282) 3.935 3.257 ( -1.832 -5.614 6.408) 8.714 3.312 ( -2.224 -4.083 -2.614) 5.334 3.515 ( -0.129 2.663 -1.238) 2.940 3.754 ( 0.419 0.720 -7.083) 7.132 3.772 ( 5.662 7.814 5.819) 11.269 4.109 ( -2.383 -3.575 4.224) 6.025 4.407 ( 7.210 -1.083 1.048) 7.366 4.537 ( 3.005 1.711 -4.200) 5.441 4.907 ( 1.085 1.596 1.693) 2.567 5.018 ( -1.011 0.842 -13.169) 13.235 5.332 ( -0.146 -7.507 4.586) 8.798 5.467 ( -1.758 3.012 5.440) 6.462 5.825 ( -4.419 -0.667 -1.408) 4.686 6.202 ( 0.623 0.114 -0.084) 0.639 6.352 ( 1.697 3.852 -0.898) 4.304 7.532 ( -0.094 0.595 8.021) 8.044 9.078 ( 0.335 -1.532 -5.147) 5.380 ======================= Grid point 98 (36/125) ======================= q-point: (-0.33 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.443 ( -21.301 10.155 4.532) 24.029 1.656 ( -2.246 17.139 -2.938) 17.534 2.083 ( -0.142 1.159 -4.085) 4.249 2.628 ( 0.600 -1.430 -2.515) 2.955 2.830 ( -0.898 -0.205 -0.476) 1.037 3.022 ( 0.395 1.097 0.373) 1.224 3.065 ( -0.184 -5.006 -3.970) 6.392 3.315 ( -0.316 -3.955 1.386) 4.202 3.377 ( -4.831 -4.981 1.263) 7.053 3.455 ( 3.188 2.356 0.676) 4.021 3.707 ( 2.314 4.512 0.944) 5.158 3.745 ( 3.462 3.762 -3.867) 6.410 4.160 ( -1.445 -5.805 0.918) 6.053 4.443 ( -0.425 2.976 -2.231) 3.744 4.649 ( 12.088 -3.182 1.834) 12.633 4.872 ( 0.856 4.008 1.659) 4.422 4.948 ( -2.112 4.836 -11.309) 12.479 5.414 ( -1.711 0.456 7.377) 7.586 5.458 ( -0.430 -7.044 -0.999) 7.128 5.762 ( -5.925 -0.387 0.560) 5.964 6.213 ( 1.669 2.166 0.900) 2.879 6.322 ( 0.315 0.445 -2.278) 2.343 7.533 ( -0.006 -0.961 8.759) 8.811 9.102 ( 0.959 -0.363 -5.782) 5.873 ======================= Grid point 99 (37/125) ======================= q-point: (-0.22 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.002 ( -18.643 12.475 7.693) 23.714 1.294 ( -2.309 23.901 -4.059) 24.353 1.947 ( -1.210 15.136 7.950) 17.140 2.641 ( -1.108 -0.666 -4.124) 4.322 2.835 ( -0.496 -1.556 -1.199) 2.026 2.994 ( -0.080 2.240 1.473) 2.682 3.114 ( -1.990 -1.388 -1.303) 2.754 3.322 ( -0.722 1.238 -3.568) 3.845 3.388 ( 0.334 -5.158 2.118) 5.586 3.582 ( 4.131 -8.135 0.962) 9.174 3.703 ( 0.778 -0.832 -1.914) 2.227 3.746 ( 2.837 0.997 -8.361) 8.885 4.233 ( 2.287 -2.056 -1.396) 3.377 4.364 ( -4.494 2.272 -2.962) 5.842 4.766 ( 3.328 6.072 -0.275) 6.930 4.825 ( -0.966 5.801 -4.259) 7.261 4.907 ( 7.005 -4.660 4.433) 9.510 5.386 ( -2.259 -0.142 7.242) 7.588 5.514 ( -4.085 -2.803 -6.278) 7.997 5.726 ( -2.242 -2.740 3.857) 5.236 6.124 ( 0.884 10.325 1.200) 10.432 6.373 ( -0.227 -5.383 -4.628) 7.102 7.567 ( 0.196 -3.344 11.262) 11.749 9.109 ( 0.914 1.147 -6.860) 7.015 ======================= Grid point 100 (38/125) ======================= q-point: (-0.11 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.649 ( 0.000 13.523 11.683) 17.870 0.886 ( 0.000 24.162 2.173) 24.260 1.607 ( 0.000 25.406 20.009) 32.339 2.629 ( 0.000 0.877 -6.070) 6.133 2.865 ( -0.000 -2.645 -0.487) 2.690 2.959 ( 0.000 1.997 1.540) 2.522 3.075 ( 0.000 3.043 1.595) 3.435 3.339 ( -0.000 -2.259 -4.635) 5.156 3.475 ( -0.000 -4.752 0.324) 4.763 3.740 ( -0.000 -3.293 -1.970) 3.837 3.764 ( -0.000 -1.395 -13.656) 13.727 3.774 ( -0.000 -11.230 -1.759) 11.367 4.203 ( 0.000 8.452 -1.583) 8.599 4.330 ( -0.000 -1.666 -6.495) 6.705 4.678 ( 0.000 6.408 -4.576) 7.874 4.722 ( 0.000 5.807 6.251) 8.532 5.057 ( -0.000 -5.753 6.411) 8.614 5.366 ( 0.000 0.666 7.725) 7.753 5.492 ( -0.000 -0.265 -6.418) 6.424 5.768 ( -0.000 -3.138 2.267) 3.871 5.940 ( 0.000 12.694 1.113) 12.743 6.455 ( -0.000 -4.846 -6.169) 7.844 7.649 ( -0.000 -7.015 13.867) 15.541 9.081 ( 0.000 3.425 -7.987) 8.690 ======================= Grid point 103 (39/125) ======================= q-point: ( 0.22 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.044 ( 12.320 0.000 16.752) 20.794 1.239 ( 12.319 0.000 22.327) 25.500 1.951 ( 24.838 0.000 1.736) 24.899 2.630 ( -9.794 -0.000 -2.175) 10.033 2.893 ( -2.644 -0.000 0.181) 2.650 2.935 ( 0.098 0.000 1.775) 1.777 3.210 ( -0.944 -0.000 2.338) 2.521 3.252 ( 9.765 0.000 -0.572) 9.781 3.324 ( -9.088 -0.000 0.734) 9.117 3.586 ( -0.364 -0.000 -10.993) 10.999 3.836 ( -6.463 -0.000 1.719) 6.687 3.877 ( 2.413 0.000 -1.987) 3.126 4.034 ( 0.499 0.000 5.262) 5.286 4.250 ( 0.822 0.000 -16.641) 16.662 4.606 ( -1.032 -0.000 2.754) 2.941 4.799 ( 1.447 0.000 -2.875) 3.218 4.816 ( 2.354 0.000 5.318) 5.816 5.089 ( -6.942 -0.000 7.867) 10.492 5.706 ( -2.000 -0.000 -3.367) 3.916 5.942 ( 3.268 0.000 1.850) 3.755 6.074 ( 6.113 0.000 -10.328) 12.002 6.621 ( 1.708 0.000 -7.523) 7.715 7.675 ( -2.847 -0.000 14.216) 14.499 8.938 ( -0.447 -0.000 -2.581) 2.620 ======================= Grid point 104 (40/125) ======================= q-point: ( 0.33 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.206 ( 12.230 -3.838 8.712) 15.499 1.532 ( 9.410 -14.189 18.685) 25.279 2.209 ( 12.754 0.907 -0.077) 12.787 2.473 ( -12.845 -1.872 1.660) 13.086 2.874 ( -0.516 0.199 -1.232) 1.351 2.944 ( -0.616 -1.310 2.734) 3.094 3.151 ( -4.746 2.890 2.388) 6.048 3.201 ( -7.988 -0.701 -0.353) 8.027 3.415 ( 10.574 -0.368 -2.298) 10.827 3.542 ( -0.572 4.240 -9.839) 10.729 3.747 ( -4.408 0.331 0.793) 4.491 3.895 ( -1.422 1.284 -0.411) 1.960 4.032 ( 7.919 2.482 2.603) 8.698 4.349 ( 0.394 -8.449 -13.291) 15.754 4.542 ( -1.141 4.886 1.736) 5.309 4.858 ( 1.250 -3.836 -2.206) 4.598 4.867 ( 5.180 -0.437 2.216) 5.651 5.062 ( -4.730 -5.043 9.620) 11.847 5.661 ( -2.645 1.873 -2.661) 4.194 5.930 ( 0.798 3.902 0.338) 3.997 6.152 ( 3.319 -1.813 -6.655) 7.655 6.599 ( 0.269 4.153 -7.034) 8.173 7.628 ( -1.429 2.075 12.555) 12.805 8.954 ( -0.666 -2.509 -3.061) 4.014 ======================= Grid point 105 (41/125) ======================= q-point: ( 0.44 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.469 ( 9.616 -10.672 0.332) 14.369 1.842 ( 5.762 -11.542 12.234) 17.779 2.096 ( -14.628 6.059 2.043) 15.965 2.514 ( 3.970 -4.577 0.307) 6.066 2.869 ( -0.063 -0.046 -0.336) 0.345 2.946 ( -2.882 -0.298 3.210) 4.324 3.051 ( -3.577 0.051 1.624) 3.928 3.139 ( -5.309 -2.044 -0.718) 5.734 3.398 ( -0.097 8.361 -8.987) 12.275 3.552 ( 4.059 -0.128 -1.558) 4.349 3.723 ( -1.595 -1.989 -0.821) 2.679 3.865 ( -0.565 0.285 -0.641) 0.901 4.116 ( 8.196 1.969 3.172) 9.007 4.440 ( 1.487 0.713 -0.934) 1.895 4.510 ( 3.093 -2.305 -7.362) 8.311 4.919 ( 2.592 -0.927 -0.975) 2.921 4.954 ( 2.808 -3.169 -2.465) 4.900 5.105 ( -2.987 -6.397 8.638) 11.156 5.584 ( -2.936 3.249 -0.958) 4.483 5.860 ( -1.873 3.732 -0.462) 4.201 6.204 ( 1.345 -0.848 -3.257) 3.624 6.515 ( -0.103 5.757 -5.056) 7.663 7.582 ( -0.526 2.189 10.156) 10.403 8.994 ( -0.464 -3.316 -3.727) 5.011 ======================= Grid point 106 (42/125) ======================= q-point: (-0.44 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.713 ( -1.929 -1.845 0.067) 2.670 1.797 ( -9.313 0.907 3.097) 9.856 2.016 ( 2.255 -3.842 1.335) 4.651 2.595 ( 1.057 -1.496 -1.270) 2.229 2.856 ( -1.202 1.485 1.540) 2.454 2.916 ( -1.256 -2.616 -1.655) 3.341 3.070 ( -0.379 -2.023 -1.040) 2.306 3.133 ( -2.998 -4.791 3.171) 6.480 3.280 ( -1.049 4.184 -3.570) 5.599 3.565 ( 0.468 1.697 -1.457) 2.285 3.752 ( 0.263 -1.529 -4.701) 4.950 3.861 ( -0.743 -1.374 0.565) 1.661 4.125 ( 3.304 6.510 6.574) 9.824 4.488 ( 5.972 -0.473 -1.789) 6.252 4.595 ( 5.361 -1.352 -3.393) 6.487 4.950 ( 2.141 0.863 -1.157) 2.582 5.009 ( 0.031 -1.050 -7.734) 7.805 5.198 ( -0.398 -8.202 6.783) 10.651 5.490 ( -2.935 3.673 1.833) 5.046 5.774 ( -4.382 2.044 -0.784) 4.898 6.210 ( -0.085 0.718 -2.059) 2.183 6.442 ( 1.240 4.177 -2.123) 4.847 7.547 ( -0.188 1.558 8.388) 8.533 9.043 ( 0.080 -3.140 -4.423) 5.425 ======================= Grid point 107 (43/125) ======================= q-point: (-0.33 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.404 ( -12.113 12.176 6.309) 18.297 1.838 ( 0.213 5.819 2.290) 6.257 2.075 ( 1.690 -2.488 -9.504) 9.968 2.610 ( -0.590 -0.832 -2.272) 2.490 2.825 ( -0.594 0.716 -0.308) 0.979 2.976 ( -0.047 -5.027 -2.179) 5.479 3.057 ( -0.049 1.885 -2.654) 3.255 3.219 ( -1.165 -7.897 4.498) 9.162 3.259 ( -1.015 -2.600 0.279) 2.805 3.525 ( 0.403 3.450 0.130) 3.476 3.743 ( -0.516 1.764 -7.103) 7.337 3.914 ( 4.899 0.671 3.740) 6.200 4.034 ( -3.412 1.479 4.577) 5.898 4.512 ( 1.120 3.470 -3.356) 4.956 4.729 ( 8.214 -3.803 1.161) 9.126 4.941 ( 1.059 3.006 0.649) 3.253 4.994 ( -0.357 2.505 -10.622) 10.920 5.329 ( -0.542 -8.258 1.045) 8.341 5.408 ( -2.010 2.303 5.349) 6.161 5.693 ( -4.270 0.720 0.502) 4.359 6.208 ( -0.020 -1.198 -1.678) 2.062 6.397 ( 1.297 4.407 -0.585) 4.631 7.529 ( -0.059 0.489 7.928) 7.943 9.089 ( 0.345 -2.230 -5.205) 5.673 ======================= Grid point 108 (44/125) ======================= q-point: (-0.22 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.105 ( 0.000 14.470 8.056) 16.561 1.627 ( 0.000 18.865 -2.733) 19.062 2.091 ( 0.000 3.603 -3.437) 4.979 2.621 ( -0.000 -1.078 -3.059) 3.244 2.818 ( -0.000 -0.284 -1.208) 1.241 3.027 ( 0.000 1.866 -0.130) 1.871 3.054 ( -0.000 -4.514 -2.125) 4.989 3.311 ( -0.000 -3.144 -2.467) 3.997 3.311 ( -0.000 -4.517 2.798) 5.313 3.505 ( -0.000 -2.172 3.630) 4.230 3.711 ( 0.000 1.393 -5.159) 5.343 3.844 ( 0.000 7.622 -0.359) 7.630 4.114 ( -0.000 -9.770 0.716) 9.796 4.437 ( 0.000 6.224 -2.431) 6.682 4.863 ( -0.000 -4.208 -0.455) 4.232 4.882 ( 0.000 4.728 3.110) 5.659 4.926 ( 0.000 5.004 -7.997) 9.434 5.374 ( 0.000 0.519 7.697) 7.714 5.428 ( -0.000 -5.021 -5.002) 7.087 5.670 ( -0.000 -1.686 3.728) 4.092 6.236 ( 0.000 0.113 -0.417) 0.432 6.332 ( 0.000 3.047 -2.192) 3.753 7.533 ( -0.000 -1.100 8.986) 9.053 9.117 ( -0.000 -0.799 -6.092) 6.144 ======================= Grid point 113 (45/125) ======================= q-point: ( 0.33 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.340 ( 10.407 0.000 12.663) 16.391 1.527 ( 9.951 0.000 17.563) 20.186 2.235 ( -17.995 -0.000 4.900) 18.650 2.386 ( 10.249 0.000 -1.387) 10.343 2.871 ( -0.199 -0.000 -1.806) 1.817 2.918 ( -2.120 -0.000 3.205) 3.843 3.094 ( -6.387 -0.000 -1.338) 6.525 3.108 ( -6.252 -0.000 3.720) 7.275 3.532 ( 4.339 0.000 -1.038) 4.461 3.569 ( -0.788 -0.000 -11.190) 11.217 3.682 ( -1.117 -0.000 2.404) 2.651 3.907 ( -0.161 -0.000 -0.307) 0.347 4.193 ( 10.410 0.000 7.166) 12.637 4.259 ( 0.153 0.000 -18.085) 18.086 4.591 ( 0.682 0.000 0.566) 0.886 4.826 ( 2.047 0.000 -3.428) 3.993 4.933 ( 4.819 0.000 0.173) 4.822 4.993 ( -1.064 -0.000 13.210) 13.253 5.638 ( -3.125 -0.000 -3.435) 4.644 5.963 ( -1.196 -0.000 2.582) 2.846 6.167 ( 1.840 0.000 -8.842) 9.031 6.624 ( -1.517 -0.000 -7.955) 8.099 7.627 ( -1.181 -0.000 12.098) 12.155 8.927 ( -0.430 -0.000 -2.594) 2.630 ======================= Grid point 114 (46/125) ======================= q-point: ( 0.44 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.475 ( 8.377 -3.538 6.999) 11.475 1.735 ( 6.115 -10.150 15.465) 19.483 1.985 ( -15.273 4.148 6.462) 17.095 2.508 ( 4.465 -2.823 -1.422) 5.471 2.867 ( -0.346 0.077 -1.439) 1.482 2.890 ( -3.605 -1.209 3.795) 5.372 3.014 ( -4.493 1.335 3.340) 5.756 3.051 ( -3.115 -1.490 -1.153) 3.640 3.512 ( -1.450 3.716 -7.112) 8.154 3.526 ( -3.984 -0.645 -2.013) 4.510 3.728 ( 4.918 0.763 -0.237) 4.983 3.873 ( -0.901 2.383 -0.896) 2.700 4.254 ( 6.398 1.259 -4.628) 7.996 4.386 ( 3.189 -6.473 -3.109) 7.858 4.584 ( 3.677 2.245 -1.252) 4.486 4.896 ( 2.681 -3.237 -3.034) 5.184 4.982 ( 3.092 -0.018 0.672) 3.164 5.013 ( -0.141 -2.960 10.337) 10.753 5.585 ( -2.964 1.745 -3.363) 4.810 5.902 ( -2.323 4.411 1.806) 5.303 6.199 ( 0.793 -1.505 -6.008) 6.244 6.573 ( -1.923 3.089 -7.199) 8.066 7.604 ( -0.605 1.401 10.764) 10.872 8.942 ( -0.313 -2.367 -2.867) 3.731 ======================= Grid point 115 (47/125) ======================= q-point: ( 0.56 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.657 ( 4.276 -7.812 1.045) 8.967 1.729 ( -9.529 6.947 6.839) 13.632 1.946 ( 2.200 -8.668 10.306) 13.645 2.577 ( 0.541 -1.775 -1.579) 2.436 2.859 ( -2.225 0.026 1.546) 2.709 2.868 ( -0.112 -0.746 -0.517) 0.915 2.996 ( -1.281 -4.083 4.292) 6.061 3.055 ( -1.220 -2.051 -1.826) 3.005 3.389 ( -0.268 8.867 -6.068) 10.748 3.529 ( -2.588 -4.079 1.164) 4.969 3.759 ( 3.002 0.821 -2.154) 3.785 3.829 ( -2.294 0.786 -2.606) 3.560 4.277 ( 3.285 5.131 1.542) 6.285 4.497 ( 1.541 -4.334 -4.349) 6.330 4.642 ( 5.138 -1.558 -1.196) 5.500 4.968 ( 1.865 -2.026 -3.779) 4.676 5.006 ( 0.788 0.411 -2.197) 2.370 5.082 ( 0.040 -5.983 9.480) 11.211 5.512 ( -2.035 3.233 -2.159) 4.388 5.788 ( -2.643 5.325 0.617) 5.977 6.219 ( 0.127 0.040 -3.634) 3.636 6.504 ( -0.462 3.146 -4.650) 5.633 7.572 ( -0.195 1.812 9.211) 9.390 8.988 ( -0.061 -3.601 -3.519) 5.036 ======================= Grid point 116 (48/125) ======================= q-point: (-0.33 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.514 ( 0.000 10.951 7.153) 13.080 1.820 ( -0.000 -7.138 0.311) 7.145 2.052 ( -0.000 -3.133 -0.052) 3.133 2.593 ( -0.000 -0.675 -1.994) 2.105 2.836 ( 0.000 1.098 0.179) 1.112 2.904 ( -0.000 -3.749 -1.239) 3.949 3.071 ( -0.000 -0.542 -3.257) 3.302 3.086 ( -0.000 -7.480 4.139) 8.549 3.268 ( 0.000 4.938 -0.709) 4.988 3.557 ( -0.000 -0.268 0.432) 0.508 3.766 ( 0.000 1.640 -6.758) 6.954 3.834 ( -0.000 -5.378 1.481) 5.578 4.174 ( 0.000 9.939 5.599) 11.408 4.549 ( -0.000 -0.335 -4.823) 4.834 4.722 ( -0.000 -3.518 0.324) 3.532 4.988 ( 0.000 1.948 -1.539) 2.482 5.006 ( -0.000 -0.702 -6.333) 6.372 5.195 ( -0.000 -8.084 5.101) 9.559 5.442 ( 0.000 3.596 0.864) 3.698 5.696 ( 0.000 3.367 0.221) 3.374 6.206 ( 0.000 0.947 -2.686) 2.848 6.460 ( 0.000 2.729 -1.802) 3.270 7.545 ( 0.000 1.452 8.122) 8.250 9.045 ( -0.000 -3.460 -4.362) 5.568 ======================= Grid point 123 (49/125) ======================= q-point: ( 0.44 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.537 ( 4.429 0.000 10.716) 11.595 1.715 ( 4.241 0.000 14.664) 15.265 1.859 ( -9.177 -0.000 9.092) 12.919 2.530 ( 2.178 0.000 -2.340) 3.196 2.834 ( -2.764 -0.000 3.940) 4.813 2.864 ( -0.396 -0.000 -1.500) 1.551 2.973 ( -3.140 -0.000 4.344) 5.360 3.018 ( -0.738 -0.000 -0.762) 1.061 3.434 ( -4.017 -0.000 1.869) 4.431 3.553 ( -0.369 -0.000 -10.266) 10.272 3.792 ( 2.936 0.000 -1.012) 3.105 3.899 ( -0.256 -0.000 1.450) 1.472 4.267 ( 0.390 0.000 -18.689) 18.693 4.417 ( 5.154 0.000 8.595) 10.022 4.632 ( 1.993 0.000 -2.106) 2.900 4.916 ( 3.382 0.000 -0.978) 3.521 4.988 ( 0.096 0.000 12.556) 12.556 5.015 ( 1.386 0.000 -3.186) 3.474 5.567 ( -1.849 -0.000 -4.594) 4.952 5.919 ( -1.433 -0.000 4.302) 4.534 6.188 ( 0.174 0.000 -7.545) 7.547 6.571 ( -1.785 -0.000 -8.137) 8.331 7.609 ( -0.350 -0.000 10.752) 10.758 8.919 ( -0.174 -0.000 -2.551) 2.557 ======================= Grid point 124 (50/125) ======================= q-point: (-0.44 -0.56 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.590 ( -0.000 -3.726 6.505) 7.496 1.763 ( 0.000 4.411 9.080) 10.094 1.819 ( -0.000 -8.351 14.091) 16.380 2.556 ( -0.000 -1.409 -2.175) 2.592 2.827 ( -0.000 -1.218 2.944) 3.186 2.864 ( -0.000 -0.367 -0.493) 0.615 2.951 ( -0.000 -0.284 4.076) 4.086 3.023 ( -0.000 -1.151 -0.807) 1.406 3.439 ( -0.000 -3.766 2.093) 4.309 3.508 ( 0.000 5.543 -8.947) 10.525 3.805 ( 0.000 0.654 -1.064) 1.249 3.849 ( 0.000 4.355 -1.343) 4.558 4.318 ( -0.000 -3.200 -13.405) 13.782 4.450 ( -0.000 -1.190 5.964) 6.081 4.654 ( -0.000 -0.887 -1.535) 1.773 4.952 ( -0.000 -1.556 -1.292) 2.022 5.011 ( -0.000 -2.608 11.323) 11.620 5.021 ( 0.000 0.015 -3.214) 3.214 5.540 ( 0.000 1.879 -4.315) 4.706 5.861 ( 0.000 5.315 2.875) 6.043 6.207 ( -0.000 -1.579 -5.565) 5.784 6.540 ( 0.000 2.137 -7.182) 7.493 7.596 ( 0.000 1.246 10.136) 10.213 8.938 ( -0.000 -2.433 -2.811) 3.717 ======================= Grid point 166 (51/125) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.767 ( 0.000 0.000 18.394) 18.394 1.211 ( 0.000 0.000 27.172) 27.172 1.666 ( 0.000 0.000 35.074) 35.074 2.401 ( 0.000 0.000 -10.795) 10.795 2.940 ( 0.000 0.000 -0.518) 0.518 2.981 ( 0.000 0.000 -0.390) 0.390 2.997 ( 0.000 0.000 0.630) 0.630 3.281 ( 0.000 0.000 -4.954) 4.954 3.438 ( 0.000 0.000 -4.197) 4.197 3.772 ( 0.000 0.000 -4.409) 4.409 3.779 ( 0.000 0.000 -3.241) 3.241 3.813 ( 0.000 0.000 -15.913) 15.913 4.068 ( 0.000 0.000 3.062) 3.062 4.093 ( 0.000 0.000 0.934) 0.934 4.608 ( 0.000 0.000 -2.633) 2.633 4.764 ( 0.000 0.000 14.640) 14.640 5.371 ( 0.000 0.000 9.451) 9.451 5.397 ( 0.000 0.000 -8.811) 8.811 5.497 ( 0.000 0.000 7.528) 7.528 5.724 ( 0.000 0.000 3.595) 3.595 5.834 ( 0.000 0.000 1.187) 1.187 6.323 ( 0.000 0.000 -11.979) 11.979 8.037 ( 0.000 0.000 8.798) 8.798 8.877 ( 0.000 0.000 -4.565) 4.565 ======================= Grid point 167 (52/125) ======================= q-point: ( 0.11 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.947 ( 18.650 -5.125 14.426) 24.129 1.155 ( 3.197 5.239 26.535) 27.236 1.832 ( 2.945 -13.845 28.046) 31.416 2.440 ( 3.053 -2.005 -10.307) 10.935 2.919 ( 0.924 4.453 -0.693) 4.600 2.949 ( 0.683 -0.240 -0.979) 1.218 3.073 ( 1.905 -4.288 1.099) 4.819 3.263 ( -0.562 1.534 -4.059) 4.376 3.410 ( -2.360 1.476 -4.673) 5.439 3.694 ( -4.608 1.483 -2.553) 5.473 3.740 ( -2.592 3.529 -7.163) 8.395 3.828 ( 2.303 3.603 -5.493) 6.961 4.076 ( -1.664 -3.651 2.174) 4.563 4.130 ( 0.715 -3.584 -3.053) 4.762 4.600 ( 0.078 1.603 -2.654) 3.102 4.798 ( 0.824 -3.257 9.785) 10.346 5.200 ( -11.827 3.636 3.622) 12.892 5.446 ( 1.978 1.988 1.928) 3.403 5.525 ( 3.875 -0.614 3.040) 4.963 5.803 ( 1.024 -3.076 0.117) 3.244 5.859 ( 3.315 -4.213 3.259) 6.274 6.327 ( 1.660 1.000 -10.449) 10.627 7.991 ( -1.163 4.442 10.027) 11.028 8.892 ( -0.314 -1.835 -5.500) 5.806 ======================= Grid point 168 (53/125) ======================= q-point: ( 0.22 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.197 ( 5.156 -5.040 17.281) 18.725 1.321 ( 22.819 -6.388 9.477) 25.521 2.064 ( 3.495 -8.266 16.370) 18.669 2.519 ( 3.272 -2.092 -8.360) 9.218 2.868 ( 1.512 3.761 -0.500) 4.084 2.964 ( 0.721 -0.328 -2.447) 2.572 3.154 ( 2.662 -0.057 0.789) 2.777 3.246 ( 0.464 -1.668 -2.193) 2.794 3.343 ( -3.861 1.739 -4.533) 6.203 3.628 ( -6.277 -2.401 3.546) 7.598 3.644 ( -1.976 4.083 -6.422) 7.863 3.761 ( 1.448 6.917 -0.074) 7.068 4.132 ( -2.585 -5.933 1.726) 6.698 4.203 ( 0.600 -4.444 -8.402) 9.524 4.581 ( 0.151 0.181 -4.857) 4.863 4.853 ( 1.287 -1.322 3.742) 4.172 4.981 ( -10.576 5.623 5.263) 13.083 5.458 ( -0.054 -1.998 2.226) 2.991 5.561 ( 3.091 1.607 1.391) 3.752 5.814 ( 1.187 1.029 -1.151) 1.948 6.027 ( 3.146 -8.528 2.621) 9.461 6.324 ( 1.960 2.482 -6.950) 7.636 7.891 ( -1.314 5.537 11.589) 12.911 8.916 ( -0.737 -1.879 -6.975) 7.261 ======================= Grid point 169 (54/125) ======================= q-point: ( 0.33 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.410 ( 5.218 -12.604 6.426) 15.079 1.694 ( 18.901 -5.852 5.891) 20.645 2.144 ( 2.299 2.743 4.951) 6.109 2.558 ( -0.270 0.208 -4.623) 4.636 2.851 ( 2.041 0.845 0.605) 2.290 2.973 ( 0.429 0.153 -3.772) 3.800 3.116 ( -0.241 4.972 0.729) 5.031 3.265 ( -4.250 1.226 -3.585) 5.693 3.338 ( 2.200 -4.928 -0.546) 5.424 3.561 ( -0.073 3.590 -8.062) 8.826 3.636 ( -5.170 -5.903 7.248) 10.682 3.676 ( 1.399 4.697 0.212) 4.905 4.188 ( -1.344 -4.366 3.598) 5.815 4.284 ( 0.153 -5.156 -9.346) 10.675 4.583 ( -2.097 -0.230 -5.660) 6.040 4.781 ( -4.650 5.482 4.411) 8.434 4.877 ( 0.722 -0.064 -0.539) 0.903 5.486 ( -1.017 -1.889 2.810) 3.536 5.561 ( 1.612 1.899 1.831) 3.091 5.814 ( 1.361 0.969 -2.482) 2.992 6.172 ( 0.895 -6.084 2.244) 6.546 6.302 ( 1.770 2.869 -3.191) 4.642 7.799 ( -0.835 4.073 11.808) 12.519 8.929 ( -0.805 -1.116 -7.903) 8.022 ======================= Grid point 170 (55/125) ======================= q-point: ( 0.44 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.686 ( 3.995 -13.672 -0.073) 14.244 1.886 ( 2.898 4.454 2.406) 5.833 2.111 ( 5.483 2.935 0.180) 6.222 2.516 ( -2.851 1.137 -1.426) 3.384 2.898 ( 2.800 -2.674 2.518) 4.618 2.974 ( 0.204 0.158 -3.965) 3.973 3.013 ( -2.583 5.092 2.199) 6.119 3.209 ( -1.736 0.609 -3.460) 3.918 3.402 ( -0.821 -1.802 0.775) 2.127 3.539 ( 1.287 0.672 -10.863) 10.959 3.649 ( 6.624 4.055 2.368) 8.120 3.669 ( -6.875 -5.534 1.266) 8.916 4.238 ( 0.656 -2.287 4.403) 5.005 4.349 ( -1.057 -2.595 -8.264) 8.726 4.515 ( -3.161 1.617 9.472) 10.116 4.718 ( 0.937 1.425 -10.625) 10.761 4.883 ( 0.217 0.014 -2.050) 2.062 5.491 ( -0.743 -0.505 4.831) 4.914 5.550 ( 0.471 0.895 2.037) 2.274 5.817 ( 0.606 0.329 -3.598) 3.664 6.227 ( -0.436 -1.051 2.238) 2.510 6.298 ( 1.151 0.184 -0.616) 1.318 7.748 ( -0.265 1.461 11.438) 11.534 8.933 ( -0.347 -0.348 -8.312) 8.327 ======================= Grid point 176 (56/125) ======================= q-point: ( 0.11 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.201 ( 24.796 0.000 10.465) 26.914 1.282 ( 5.373 0.000 25.298) 25.863 1.763 ( 7.933 0.000 31.183) 32.177 2.475 ( 4.636 0.000 -10.098) 11.111 2.944 ( 0.342 0.000 -0.551) 0.648 3.013 ( 0.177 0.000 1.157) 1.170 3.042 ( 4.967 0.000 -0.557) 4.998 3.261 ( -1.291 -0.000 -1.189) 1.755 3.397 ( -1.989 -0.000 -6.775) 7.061 3.599 ( -9.823 -0.000 -2.862) 10.232 3.777 ( 0.530 0.000 -4.544) 4.575 3.867 ( 0.600 0.000 -12.621) 12.636 4.028 ( -2.713 -0.000 1.484) 3.092 4.090 ( -0.645 -0.000 0.840) 1.059 4.643 ( 1.937 0.000 -4.772) 5.150 4.759 ( -0.115 -0.000 12.347) 12.347 5.086 ( -10.495 -0.000 4.038) 11.245 5.406 ( -5.254 -0.000 7.589) 9.231 5.601 ( 4.194 0.000 -3.678) 5.579 5.809 ( 4.715 0.000 0.137) 4.717 5.882 ( 4.038 0.000 2.387) 4.691 6.368 ( 3.140 0.000 -10.577) 11.033 8.005 ( -2.306 -0.000 9.801) 10.068 8.871 ( -0.405 -0.000 -4.704) 4.721 ======================= Grid point 177 (57/125) ======================= q-point: ( 0.22 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.290 ( 7.803 5.043 22.640) 24.472 1.539 ( 21.231 -4.013 8.443) 23.198 1.987 ( 9.547 -9.421 21.425) 25.277 2.537 ( 2.863 -0.940 -8.149) 8.688 2.931 ( -0.618 2.398 -0.020) 2.476 2.983 ( 0.318 0.568 0.262) 0.702 3.153 ( 4.321 -3.221 -0.768) 5.444 3.240 ( -0.158 1.603 0.928) 1.859 3.352 ( -1.153 2.645 -6.486) 7.099 3.487 ( -9.183 -2.136 0.177) 9.430 3.717 ( -0.322 5.826 -6.581) 8.795 3.872 ( 1.496 3.481 -6.073) 7.158 3.999 ( -4.135 -4.230 1.882) 6.207 4.128 ( -0.567 -4.764 -4.904) 6.860 4.615 ( 0.922 3.314 -2.685) 4.364 4.822 ( 0.710 -4.592 4.942) 6.783 4.943 ( -7.116 3.483 4.920) 9.326 5.368 ( -4.608 -3.362 7.059) 9.076 5.618 ( 0.914 1.149 -3.089) 3.421 5.846 ( 2.309 1.582 -1.920) 3.394 5.986 ( 5.228 -4.739 1.614) 7.239 6.393 ( 2.887 1.983 -8.638) 9.321 7.943 ( -2.304 3.551 11.027) 11.812 8.878 ( -0.637 -1.503 -5.481) 5.718 ======================= Grid point 178 (58/125) ======================= q-point: ( 0.33 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.374 ( 8.520 -2.799 14.216) 16.808 1.840 ( 14.957 -4.122 6.422) 16.791 2.190 ( 5.486 -2.276 8.873) 10.678 2.555 ( -1.312 0.083 -3.197) 3.456 2.884 ( -0.763 1.212 1.059) 1.781 2.989 ( 0.565 0.202 -2.431) 2.504 3.185 ( -0.875 4.550 0.514) 4.662 3.208 ( -0.937 0.076 -2.654) 2.816 3.317 ( -1.571 -1.236 1.165) 2.313 3.463 ( -3.449 -4.717 1.445) 6.019 3.628 ( -0.088 4.666 -8.277) 9.502 3.812 ( 3.396 5.489 -0.947) 6.524 4.058 ( -2.485 -7.387 1.626) 7.961 4.216 ( 1.573 -5.400 -9.627) 11.149 4.577 ( -0.982 2.321 -0.261) 2.534 4.825 ( -0.998 3.923 1.833) 4.444 4.878 ( 0.434 -1.509 0.768) 1.748 5.383 ( -4.355 -5.095 6.387) 9.258 5.603 ( -0.228 1.211 -1.091) 1.646 5.834 ( 0.203 1.667 -2.950) 3.394 6.118 ( 3.109 -4.640 0.820) 5.645 6.379 ( 1.916 3.394 -5.540) 6.774 7.853 ( -1.525 4.320 11.726) 12.589 8.896 ( -0.684 -1.738 -6.651) 6.909 ======================= Grid point 179 (59/125) ======================= q-point: ( 0.44 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.575 ( 7.450 -8.886 5.152) 12.689 1.996 ( 5.234 2.475 4.032) 7.055 2.174 ( -4.748 4.385 1.301) 6.592 2.528 ( 0.849 1.294 -0.126) 1.552 2.889 ( 0.848 -1.720 1.317) 2.326 2.985 ( 0.245 0.809 -3.477) 3.578 3.059 ( -4.418 6.010 3.340) 8.173 3.187 ( -0.741 -0.007 -4.108) 4.174 3.350 ( -2.198 -5.300 5.229) 7.763 3.495 ( -2.306 -2.584 -1.188) 3.661 3.577 ( 0.581 2.214 -9.952) 10.212 3.811 ( 5.917 2.865 -1.301) 6.702 4.152 ( -0.711 -6.413 2.815) 7.040 4.326 ( 4.178 -3.669 -9.260) 10.801 4.526 ( 0.489 2.330 8.045) 8.389 4.781 ( 1.428 3.548 -6.950) 7.933 4.891 ( 0.433 0.143 -1.325) 1.401 5.407 ( -3.944 -4.584 5.954) 8.487 5.577 ( -0.794 1.151 0.913) 1.670 5.805 ( -1.945 0.466 -3.749) 4.249 6.195 ( 0.353 -2.219 0.901) 2.421 6.353 ( 2.168 2.620 -2.039) 3.965 7.779 ( -0.744 3.076 11.558) 11.984 8.915 ( -0.260 -1.406 -7.598) 7.732 ======================= Grid point 180 (60/125) ======================= q-point: (-0.44 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.788 ( 2.154 -5.334 1.102) 5.857 1.885 ( -1.194 13.087 0.183) 13.142 1.983 ( -11.311 1.766 3.198) 11.886 2.549 ( 2.705 0.139 -1.723) 3.210 2.908 ( -3.401 3.601 3.943) 6.331 2.954 ( 0.234 -2.995 -0.229) 3.013 2.985 ( 0.216 -0.219 -3.205) 3.220 3.205 ( 1.194 -1.784 -2.393) 3.215 3.412 ( -3.229 -6.492 2.947) 7.826 3.472 ( -1.314 2.065 -2.690) 3.637 3.561 ( 0.033 0.477 -8.892) 8.905 3.847 ( 6.265 3.003 -0.002) 6.947 4.204 ( -2.432 -2.270 1.658) 3.717 4.425 ( 5.371 0.933 -4.009) 6.766 4.548 ( 5.632 -1.084 10.757) 12.191 4.734 ( 0.817 3.201 -11.368) 11.838 4.891 ( 0.494 0.711 -2.740) 2.873 5.428 ( -3.426 -3.977 3.413) 6.261 5.551 ( -1.295 0.334 2.506) 2.841 5.774 ( -3.376 -0.984 -3.437) 4.917 6.212 ( -0.903 -1.305 1.232) 2.009 6.344 ( 2.343 2.998 0.151) 3.808 7.742 ( -0.175 0.685 11.361) 11.383 8.934 ( 0.345 -0.850 -8.241) 8.292 ======================= Grid point 181 (61/125) ======================= q-point: (-0.33 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.583 ( -16.442 9.381 8.480) 20.742 1.612 ( -1.795 17.443 0.479) 17.542 2.050 ( 0.957 -7.521 0.956) 7.641 2.560 ( -0.503 0.511 -3.987) 4.051 2.827 ( -2.311 1.416 1.062) 2.911 2.972 ( 0.011 0.173 -4.170) 4.174 3.040 ( -0.125 -4.739 0.595) 4.778 3.261 ( 1.350 -2.354 -2.320) 3.570 3.381 ( -4.019 1.849 -2.312) 4.991 3.504 ( 2.253 -3.552 -1.984) 4.650 3.573 ( -0.208 -2.733 -2.992) 4.058 3.853 ( 6.577 7.254 4.240) 10.670 4.189 ( -3.361 -1.596 0.815) 3.809 4.391 ( 1.367 6.759 0.188) 6.898 4.625 ( 1.847 1.698 -10.289) 10.590 4.793 ( 9.610 -4.326 5.107) 11.711 4.882 ( 0.444 0.955 -2.311) 2.540 5.435 ( -4.785 -3.065 -0.799) 5.738 5.533 ( -1.761 -0.549 3.732) 4.163 5.757 ( -2.918 -2.117 -1.905) 4.078 6.230 ( -0.477 -1.873 0.519) 2.002 6.298 ( 1.152 5.889 0.573) 6.028 7.755 ( 0.241 -2.229 11.643) 11.857 8.948 ( 0.663 -0.037 -8.499) 8.525 ======================= Grid point 182 (62/125) ======================= q-point: (-0.22 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.221 ( -13.415 11.132 12.450) 21.422 1.323 ( -1.679 15.250 7.705) 17.168 2.114 ( -0.409 0.609 7.455) 7.491 2.522 ( -1.798 2.210 -7.143) 7.690 2.808 ( -1.004 -1.578 -0.604) 1.965 2.967 ( -0.100 0.414 -3.610) 3.635 3.102 ( -0.708 -3.484 0.274) 3.566 3.254 ( -1.790 1.881 -2.645) 3.706 3.367 ( 1.806 -1.339 -3.638) 4.276 3.593 ( 2.239 -4.373 -4.547) 6.694 3.640 ( -1.048 -5.815 0.656) 5.945 3.787 ( 3.881 8.305 7.339) 11.742 4.184 ( -1.362 -1.220 -3.316) 3.787 4.290 ( 0.373 7.215 -1.428) 7.365 4.597 ( 0.283 2.011 -8.488) 8.727 4.860 ( -0.085 1.289 1.093) 1.692 5.030 ( 11.097 -6.313 6.433) 14.296 5.395 ( -7.221 -1.758 -3.793) 8.344 5.526 ( -1.126 -0.741 5.082) 5.258 5.768 ( -1.287 -2.421 -0.919) 2.892 6.168 ( 0.331 10.151 2.637) 10.493 6.269 ( -0.724 -2.424 -4.115) 4.831 7.816 ( 0.407 -4.899 11.996) 12.964 8.948 ( 0.480 1.035 -8.220) 8.298 ======================= Grid point 183 (63/125) ======================= q-point: (-0.11 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.949 ( 0.000 10.343 15.930) 18.993 1.134 ( 0.000 5.976 19.113) 20.026 2.020 ( 0.000 10.291 18.104) 20.825 2.463 ( 0.000 3.156 -9.392) 9.908 2.845 ( -0.000 -3.738 -1.113) 3.901 2.956 ( 0.000 0.738 -2.240) 2.358 3.111 ( 0.000 1.731 1.592) 2.352 3.237 ( -0.000 -1.366 -4.283) 4.496 3.405 ( -0.000 -1.421 -4.791) 4.997 3.688 ( -0.000 -2.013 -2.934) 3.558 3.704 ( -0.000 -5.274 -6.127) 8.084 3.747 ( -0.000 -1.716 5.904) 6.148 4.172 ( 0.000 2.167 -5.806) 6.197 4.176 ( 0.000 7.102 0.103) 7.102 4.588 ( -0.000 -0.353 -4.481) 4.495 4.832 ( 0.000 2.033 5.210) 5.592 5.232 ( -0.000 -6.771 9.379) 11.567 5.344 ( -0.000 -1.091 -7.378) 7.459 5.524 ( 0.000 0.216 6.502) 6.506 5.795 ( -0.000 -1.821 -0.633) 1.928 5.989 ( 0.000 11.867 3.214) 12.294 6.297 ( -0.000 -1.675 -7.753) 7.932 7.910 ( -0.000 -6.147 11.431) 12.979 8.927 ( 0.000 2.011 -7.166) 7.442 ======================= Grid point 186 (64/125) ======================= q-point: ( 0.22 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.461 ( 8.257 0.000 21.260) 22.807 1.698 ( 13.169 0.000 16.403) 21.035 2.081 ( 15.248 0.000 13.147) 20.133 2.546 ( -1.151 -0.000 -5.605) 5.722 2.923 ( -6.096 -0.000 2.541) 6.604 2.956 ( 0.581 0.000 -0.614) 0.845 3.242 ( 10.459 0.000 -0.674) 10.480 3.261 ( 0.238 0.000 1.571) 1.589 3.331 ( -10.518 -0.000 0.299) 10.522 3.378 ( -0.040 -0.000 -7.720) 7.720 3.806 ( 1.719 0.000 -4.979) 5.267 3.832 ( -3.477 -0.000 -6.703) 7.551 3.958 ( -2.305 -0.000 -5.436) 5.905 4.078 ( 1.601 0.000 0.277) 1.625 4.678 ( 1.078 0.000 -6.192) 6.285 4.762 ( -0.196 -0.000 9.796) 9.798 4.904 ( -3.227 -0.000 3.376) 4.670 5.283 ( -3.972 -0.000 8.173) 9.087 5.617 ( -1.830 -0.000 -4.721) 5.063 5.916 ( 3.467 0.000 -5.475) 6.481 5.992 ( 3.411 0.000 2.823) 4.428 6.443 ( 1.945 0.000 -8.831) 9.043 7.940 ( -2.528 -0.000 11.213) 11.495 8.859 ( -0.539 -0.000 -4.923) 4.952 ======================= Grid point 187 (65/125) ======================= q-point: ( 0.33 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.512 ( 9.174 4.399 18.300) 20.938 1.909 ( 9.401 -6.266 14.599) 18.460 2.254 ( 7.443 0.613 5.646) 9.362 2.504 ( -5.233 -1.860 0.886) 5.624 2.863 ( -2.588 -0.338 0.852) 2.746 2.975 ( 0.186 -1.250 -1.013) 1.620 3.206 ( -9.074 -0.762 2.354) 9.405 3.225 ( -2.771 2.586 2.342) 4.456 3.302 ( 3.759 5.260 -5.293) 8.356 3.429 ( 5.133 -2.409 -2.596) 6.236 3.703 ( -1.252 5.470 -6.384) 8.499 3.883 ( -3.617 -0.180 0.879) 3.727 3.940 ( 2.869 -4.327 -8.889) 10.295 4.174 ( 5.942 -4.517 -3.838) 8.393 4.635 ( 1.417 4.524 1.660) 5.023 4.817 ( -1.085 -4.349 4.088) 6.066 4.876 ( 1.196 1.252 -1.221) 2.119 5.264 ( -3.217 -2.983 7.707) 8.868 5.587 ( -2.928 -0.220 -4.095) 5.038 5.896 ( 1.283 4.736 -4.016) 6.340 6.081 ( 2.174 -4.705 0.269) 5.190 6.439 ( 0.323 2.010 -7.553) 7.823 7.888 ( -1.887 2.643 11.698) 12.140 8.863 ( -0.504 -1.326 -5.442) 5.624 ======================= Grid point 188 (66/125) ======================= q-point: ( 0.44 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( 8.669 -1.348 11.335) 14.334 2.075 ( 5.237 -1.669 9.250) 10.760 2.164 ( -8.915 6.624 4.361) 11.932 2.536 ( 1.373 -2.692 1.868) 3.552 2.863 ( -0.352 -1.689 0.294) 1.750 2.990 ( -0.090 -0.358 -2.964) 2.987 3.080 ( -6.506 4.707 5.525) 9.747 3.168 ( -4.788 -2.692 0.235) 5.498 3.259 ( 0.861 2.276 -1.450) 2.833 3.506 ( 3.620 0.255 -2.842) 4.610 3.624 ( -0.407 3.221 -8.255) 8.870 3.855 ( -1.304 -0.931 -0.043) 1.603 4.069 ( 3.026 -5.797 -6.102) 8.944 4.340 ( 8.666 -4.263 -5.012) 10.880 4.603 ( 3.870 3.465 8.545) 10.000 4.835 ( 0.173 0.914 -3.009) 3.149 4.894 ( 1.386 -0.452 -2.782) 3.140 5.285 ( -3.091 -4.363 6.379) 8.324 5.551 ( -3.713 -0.523 -2.214) 4.355 5.821 ( -1.233 4.470 -3.398) 5.749 6.162 ( 0.383 -2.915 -0.402) 2.968 6.408 ( 0.422 1.734 -4.578) 4.913 7.820 ( -1.062 3.352 11.720) 12.237 8.885 ( -0.219 -1.920 -6.416) 6.701 ======================= Grid point 189 (67/125) ======================= q-point: (-0.44 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.754 ( 5.630 -4.866 4.651) 8.775 1.904 ( -11.658 7.433 6.782) 15.400 2.068 ( 1.553 8.278 3.592) 9.156 2.570 ( 0.296 -0.219 -1.126) 1.185 2.901 ( 0.204 -3.152 0.834) 3.267 2.929 ( -4.276 4.472 4.874) 7.876 2.989 ( -0.213 0.424 -4.713) 4.737 3.176 ( -1.854 -3.510 -1.253) 4.162 3.267 ( -1.271 -3.105 3.093) 4.563 3.522 ( 2.123 1.739 -3.650) 4.567 3.585 ( -0.200 1.769 -8.506) 8.691 3.880 ( 0.150 -3.433 0.463) 3.468 4.160 ( 0.761 -1.734 -4.808) 5.168 4.507 ( 8.363 -1.633 -2.330) 8.834 4.621 ( 4.820 1.450 11.078) 12.167 4.811 ( 2.622 3.135 -7.604) 8.633 4.910 ( 0.959 0.333 -3.357) 3.507 5.314 ( -3.592 -4.303 2.973) 6.344 5.511 ( -4.070 -0.822 -0.160) 4.155 5.739 ( -2.696 2.213 -2.521) 4.304 6.181 ( -1.134 -0.927 -0.125) 1.470 6.406 ( 1.785 0.880 -1.252) 2.352 7.763 ( -0.437 2.367 11.443) 11.694 8.915 ( 0.185 -1.863 -7.450) 7.681 ======================= Grid point 190 (68/125) ======================= q-point: (-0.33 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.588 ( -8.622 11.499 10.787) 17.970 1.873 ( 0.148 15.592 -1.873) 15.705 1.947 ( 2.008 -7.446 1.760) 7.910 2.559 ( -0.978 0.600 -2.619) 2.860 2.835 ( -1.658 2.738 2.133) 3.847 2.962 ( 0.210 -3.806 0.108) 3.813 2.981 ( -0.301 -0.073 -3.856) 3.868 3.226 ( -0.101 -3.865 -1.238) 4.060 3.304 ( -1.731 -3.532 1.933) 4.383 3.524 ( 2.011 0.836 -2.872) 3.605 3.557 ( -0.620 0.700 -6.889) 6.952 3.966 ( 3.287 -4.140 0.610) 5.322 4.134 ( -2.670 3.221 0.174) 4.187 4.518 ( 1.601 6.723 6.508) 9.493 4.671 ( 1.865 0.534 -9.594) 9.788 4.866 ( 8.229 -1.799 2.289) 8.729 4.910 ( 1.054 0.923 -2.825) 3.154 5.317 ( -5.191 -3.051 -2.373) 6.472 5.485 ( -2.553 -1.556 1.814) 3.497 5.699 ( -1.748 -0.939 -0.734) 2.115 6.188 ( -0.722 -1.790 0.396) 1.970 6.397 ( 1.354 3.467 0.429) 3.746 7.739 ( -0.058 0.166 11.401) 11.402 8.944 ( 0.304 -1.236 -8.271) 8.368 ======================= Grid point 191 (69/125) ======================= q-point: (-0.22 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( 0.000 12.889 12.876) 18.218 1.591 ( 0.000 18.754 0.915) 18.776 2.070 ( -0.000 -5.630 1.441) 5.811 2.538 ( 0.000 1.182 -4.835) 4.978 2.796 ( 0.000 0.903 0.156) 0.916 2.972 ( 0.000 0.378 -4.175) 4.192 3.034 ( -0.000 -4.487 0.257) 4.494 3.262 ( -0.000 -0.155 -2.302) 2.307 3.340 ( -0.000 -2.728 -0.777) 2.836 3.554 ( -0.000 -2.692 0.482) 2.734 3.563 ( -0.000 -2.463 -6.069) 6.550 3.973 ( 0.000 10.571 6.571) 12.446 4.104 ( -0.000 -6.242 -1.643) 6.455 4.409 ( 0.000 7.460 2.305) 7.808 4.644 ( 0.000 3.181 -11.579) 12.008 4.887 ( 0.000 1.750 -1.770) 2.489 5.014 ( -0.000 -6.187 7.848) 9.994 5.306 ( -0.000 -1.778 -6.102) 6.356 5.496 ( -0.000 -1.691 3.797) 4.157 5.719 ( -0.000 -2.514 -0.384) 2.543 6.220 ( -0.000 -2.612 -0.600) 2.680 6.320 ( 0.000 7.427 1.122) 7.512 7.758 ( -0.000 -2.578 11.753) 12.032 8.958 ( -0.000 -0.184 -8.612) 8.614 ======================= Grid point 196 (70/125) ======================= q-point: ( 0.33 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.672 ( 7.777 0.000 17.477) 19.129 1.950 ( 7.720 0.000 19.779) 21.232 2.359 ( -11.716 -0.000 5.936) 13.134 2.382 ( 7.659 0.000 2.120) 7.946 2.837 ( -0.778 -0.000 -0.943) 1.223 2.970 ( 0.383 0.000 -0.135) 0.406 3.081 ( -8.212 -0.000 1.386) 8.328 3.206 ( -4.519 -0.000 4.942) 6.697 3.360 ( -0.876 -0.000 -7.911) 7.959 3.502 ( 6.097 0.000 -1.569) 6.295 3.730 ( -2.111 -0.000 0.205) 2.121 3.841 ( 0.875 0.000 -5.499) 5.569 3.915 ( -1.293 -0.000 -12.121) 12.189 4.254 ( 11.258 0.000 -1.356) 11.340 4.733 ( -1.400 -0.000 12.075) 12.156 4.741 ( 4.765 0.000 -4.147) 6.317 4.905 ( 1.639 0.000 -2.684) 3.144 5.210 ( -1.971 -0.000 6.983) 7.256 5.538 ( -4.132 -0.000 -5.729) 7.064 5.983 ( 1.889 0.000 -8.026) 8.246 6.033 ( 0.109 0.000 3.725) 3.727 6.444 ( -1.753 -0.000 -8.417) 8.597 7.886 ( -1.625 -0.000 11.882) 11.993 8.846 ( -0.398 -0.000 -4.975) 4.990 ======================= Grid point 197 (71/125) ======================= q-point: ( 0.44 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.723 ( 6.791 3.185 15.029) 16.797 2.080 ( 3.854 -3.696 15.978) 16.847 2.157 ( -8.901 5.561 8.999) 13.825 2.495 ( 2.173 -4.023 0.878) 4.655 2.839 ( -0.164 -0.826 -1.004) 1.310 2.979 ( -0.630 -1.104 0.936) 1.579 3.008 ( -5.029 -1.136 0.870) 5.229 3.118 ( -4.505 2.708 5.500) 7.608 3.326 ( 0.140 3.064 -7.228) 7.852 3.533 ( -0.618 -1.018 0.289) 1.226 3.688 ( 1.668 5.320 -6.256) 8.380 3.815 ( -1.749 0.293 -1.223) 2.154 4.002 ( 1.822 -7.591 -11.887) 14.221 4.419 ( 11.026 -2.104 -2.362) 11.471 4.697 ( 1.592 2.244 11.730) 12.048 4.833 ( 3.867 -1.646 -1.945) 4.631 4.919 ( 1.215 0.510 -4.382) 4.576 5.205 ( -1.716 -1.976 5.553) 6.139 5.487 ( -4.446 -0.488 -5.643) 7.201 5.904 ( -0.530 7.059 -2.907) 7.652 6.108 ( 0.339 -4.640 -1.024) 4.764 6.413 ( -1.884 0.246 -7.171) 7.418 7.851 ( -0.991 2.137 11.958) 12.187 8.854 ( -0.220 -1.442 -5.351) 5.546 ======================= Grid point 198 (72/125) ======================= q-point: ( 0.56 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.773 ( 4.095 -0.902 9.478) 10.364 1.921 ( -6.487 8.945 10.641) 15.340 2.165 ( 1.763 1.040 10.042) 10.249 2.551 ( -0.344 -1.747 -0.747) 1.931 2.858 ( -0.261 -1.996 -0.078) 2.014 2.945 ( -2.814 2.611 6.191) 7.285 2.990 ( -0.045 0.003 -3.701) 3.701 3.073 ( -2.115 -3.361 2.159) 4.520 3.281 ( 0.500 2.730 -3.167) 4.211 3.552 ( 0.101 -1.535 0.748) 1.711 3.619 ( 0.274 4.241 -10.111) 10.967 3.812 ( -1.191 -2.429 1.055) 2.903 4.128 ( 1.201 -4.926 -10.835) 11.962 4.577 ( 7.376 -2.566 -2.763) 8.284 4.687 ( 0.692 1.719 13.266) 13.395 4.887 ( 3.979 0.909 -3.305) 5.252 4.923 ( 0.505 0.121 -4.197) 4.229 5.220 ( -2.103 -2.687 2.451) 4.202 5.445 ( -3.310 -0.801 -4.111) 5.338 5.781 ( -1.406 6.254 -1.528) 6.590 6.154 ( -0.487 -1.410 -1.715) 2.273 6.411 ( -0.006 -1.437 -3.673) 3.944 7.801 ( -0.383 2.884 11.728) 12.083 8.883 ( 0.005 -2.236 -6.298) 6.683 ======================= Grid point 199 (73/125) ======================= q-point: (-0.33 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.716 ( 0.000 11.122 11.473) 15.979 1.852 ( -0.000 -5.445 3.321) 6.378 2.089 ( 0.000 9.912 3.579) 10.538 2.558 ( 0.000 0.052 -1.514) 1.515 2.870 ( 0.000 2.731 3.427) 4.382 2.904 ( -0.000 -2.709 1.296) 3.003 2.986 ( 0.000 0.420 -4.427) 4.447 3.139 ( -0.000 -5.823 0.646) 5.859 3.266 ( -0.000 -0.525 1.171) 1.283 3.563 ( 0.000 0.836 0.038) 0.837 3.567 ( 0.000 2.319 -11.342) 11.576 3.875 ( -0.000 -6.396 2.115) 6.737 4.171 ( 0.000 0.595 -7.257) 7.281 4.629 ( 0.000 5.241 12.398) 13.460 4.672 ( -0.000 -2.164 -7.162) 7.482 4.912 ( -0.000 -0.070 0.152) 0.168 4.923 ( 0.000 0.320 -3.765) 3.778 5.239 ( -0.000 -2.301 -1.916) 2.994 5.441 ( -0.000 -1.463 -1.257) 1.929 5.698 ( 0.000 2.594 -0.398) 2.624 6.163 ( -0.000 -0.768 -0.641) 1.001 6.431 ( -0.000 -0.134 -0.994) 1.003 7.758 ( 0.000 2.108 11.430) 11.623 8.919 ( -0.000 -2.101 -7.418) 7.709 ======================= Grid point 206 (74/125) ======================= q-point: ( 0.44 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.824 ( 3.614 0.000 15.429) 15.847 2.090 ( 3.050 0.000 19.287) 19.527 2.098 ( -6.573 -0.000 12.491) 14.114 2.488 ( 1.535 0.000 -1.208) 1.953 2.832 ( -0.027 -0.000 -1.386) 1.386 2.925 ( -2.797 -0.000 4.105) 4.968 2.987 ( 0.022 0.000 -2.182) 2.183 3.094 ( -2.923 -0.000 6.932) 7.523 3.348 ( -0.142 -0.000 -8.519) 8.520 3.489 ( -2.528 -0.000 3.341) 4.189 3.775 ( 2.092 0.000 -0.754) 2.223 3.856 ( 0.307 0.000 -5.098) 5.107 3.893 ( -0.398 -0.000 -15.909) 15.914 4.528 ( 7.885 0.000 -3.169) 8.498 4.708 ( -0.653 -0.000 13.145) 13.161 4.891 ( 4.975 0.000 -1.116) 5.099 4.930 ( 0.071 0.000 -4.129) 4.130 5.173 ( -1.011 -0.000 4.562) 4.673 5.434 ( -3.051 -0.000 -7.659) 8.244 6.012 ( 0.472 0.000 -8.400) 8.413 6.022 ( -0.485 -0.000 4.891) 4.915 6.384 ( -1.975 -0.000 -8.520) 8.746 7.859 ( -0.548 -0.000 12.127) 12.139 8.839 ( -0.139 -0.000 -4.918) 4.920 ======================= Grid point 207 (75/125) ======================= q-point: (-0.44 -0.56 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.817 ( 0.000 2.605 13.855) 14.098 2.003 ( 0.000 6.132 12.596) 14.009 2.150 ( -0.000 -3.598 16.430) 16.819 2.518 ( -0.000 -2.118 -1.271) 2.470 2.836 ( -0.000 -0.628 -0.831) 1.042 2.926 ( -0.000 -1.818 4.512) 4.864 2.989 ( -0.000 -0.103 -2.470) 2.472 3.054 ( 0.000 1.924 5.743) 6.057 3.328 ( 0.000 2.367 -7.250) 7.626 3.500 ( -0.000 -3.226 3.600) 4.834 3.725 ( 0.000 8.247 -9.859) 12.853 3.789 ( -0.000 -0.137 -0.154) 0.206 4.027 ( -0.000 -8.683 -12.165) 14.946 4.595 ( -0.000 -1.597 -4.367) 4.649 4.701 ( 0.000 0.300 14.655) 14.658 4.924 ( 0.000 0.183 -0.926) 0.944 4.927 ( 0.000 0.183 -4.177) 4.181 5.177 ( -0.000 -1.303 3.221) 3.475 5.415 ( -0.000 -0.253 -7.183) 7.187 5.891 ( 0.000 8.248 -1.522) 8.388 6.111 ( -0.000 -4.239 -1.946) 4.664 6.381 ( -0.000 -1.360 -6.897) 7.029 7.838 ( 0.000 1.990 12.037) 12.200 8.851 ( -0.000 -1.551 -5.299) 5.522 ======================= Grid point 249 (76/125) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.152 ( 0.000 0.000 18.009) 18.009 1.755 ( 0.000 0.000 24.129) 24.129 2.150 ( 0.000 0.000 -12.951) 12.951 2.317 ( 0.000 0.000 25.266) 25.266 2.884 ( 0.000 0.000 -4.404) 4.404 2.962 ( 0.000 0.000 -3.206) 3.206 2.963 ( 0.000 0.000 -1.434) 1.434 3.224 ( 0.000 0.000 -0.326) 0.326 3.349 ( 0.000 0.000 -4.696) 4.696 3.514 ( 0.000 0.000 -11.788) 11.788 3.667 ( 0.000 0.000 -5.009) 5.009 3.702 ( 0.000 0.000 -4.090) 4.090 4.152 ( 0.000 0.000 4.425) 4.425 4.194 ( 0.000 0.000 9.595) 9.595 4.522 ( 0.000 0.000 -5.203) 5.203 5.081 ( 0.000 0.000 15.074) 15.074 5.158 ( 0.000 0.000 -13.810) 13.810 5.549 ( 0.000 0.000 7.070) 7.070 5.629 ( 0.000 0.000 4.718) 4.718 5.794 ( 0.000 0.000 1.899) 1.899 5.870 ( 0.000 0.000 2.043) 2.043 6.058 ( 0.000 0.000 -12.142) 12.142 8.233 ( 0.000 0.000 9.445) 9.445 8.760 ( 0.000 0.000 -6.417) 6.417 ======================= Grid point 250 (77/125) ======================= q-point: ( 0.11 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.271 ( 11.926 -4.362 15.878) 20.332 1.701 ( 1.631 6.724 24.529) 25.486 2.199 ( 3.748 -2.713 -12.199) 13.047 2.354 ( 1.463 -1.901 19.655) 19.801 2.881 ( 0.055 0.547 -3.874) 3.912 2.901 ( 1.820 3.714 -1.244) 4.319 3.060 ( 1.906 -5.515 -2.495) 6.346 3.213 ( 0.269 1.573 -0.294) 1.623 3.322 ( -1.486 1.891 -4.629) 5.217 3.506 ( -1.038 0.276 -11.185) 11.236 3.630 ( -1.455 1.189 -3.442) 3.921 3.743 ( -0.942 -3.420 -4.208) 5.504 4.145 ( -0.796 0.398 3.650) 3.756 4.201 ( -2.188 -3.332 9.716) 10.502 4.513 ( 0.394 1.750 -4.906) 5.223 5.025 ( -3.055 4.312 8.932) 10.378 5.130 ( -3.781 -0.481 -6.757) 7.757 5.521 ( 0.850 3.896 5.255) 6.596 5.621 ( -1.501 -1.020 3.706) 4.126 5.776 ( 0.268 3.185 -3.456) 4.708 5.933 ( 2.705 -6.455 3.456) 7.805 6.122 ( 3.041 -3.767 -7.632) 9.038 8.202 ( -0.838 2.968 9.966) 10.432 8.760 ( -0.390 -0.237 -6.987) 7.002 ======================= Grid point 251 (78/125) ======================= q-point: ( 0.22 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.543 ( 15.849 -5.894 12.342) 20.935 1.635 ( 3.683 4.219 21.437) 22.157 2.297 ( 2.700 -1.603 -5.686) 6.495 2.374 ( 3.714 2.240 4.880) 6.529 2.867 ( 1.124 1.459 -0.617) 1.942 2.895 ( 1.911 0.816 -1.297) 2.450 3.167 ( 1.474 -0.930 -0.196) 1.754 3.194 ( 2.236 -1.358 -2.396) 3.548 3.269 ( -1.288 2.161 -3.778) 4.539 3.463 ( -2.410 2.781 -9.442) 10.133 3.617 ( -2.406 -2.587 -2.951) 4.604 3.765 ( -1.971 -1.609 -1.783) 3.107 4.121 ( -2.209 0.027 0.610) 2.292 4.251 ( -3.281 -7.025 8.694) 11.649 4.477 ( 0.424 2.655 -3.501) 4.414 4.911 ( -3.979 3.677 0.634) 5.454 5.062 ( -4.451 2.512 3.294) 6.081 5.494 ( 1.556 0.671 1.385) 2.189 5.615 ( -0.040 1.057 1.636) 1.949 5.734 ( 1.081 2.671 -5.309) 6.041 6.088 ( 2.050 -8.143 2.944) 8.898 6.212 ( 2.664 -2.522 -3.276) 4.918 8.129 ( -1.162 4.311 11.029) 11.898 8.756 ( -0.697 -0.091 -8.230) 8.260 ======================= Grid point 252 (79/125) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.647 ( 3.697 -1.728 14.773) 15.326 1.848 ( 14.155 -5.459 8.610) 17.444 2.227 ( -0.158 8.737 2.143) 8.997 2.444 ( 3.734 -1.577 -6.130) 7.349 2.868 ( 0.544 0.131 -2.128) 2.200 2.919 ( 2.528 -0.494 2.856) 3.846 3.132 ( 0.049 2.970 0.543) 3.019 3.227 ( -0.716 1.485 -2.176) 2.730 3.304 ( 4.349 -3.413 -2.707) 6.156 3.370 ( -3.320 3.604 -7.908) 9.303 3.624 ( -1.733 -0.985 -3.694) 4.197 3.746 ( -3.806 -0.788 1.170) 4.059 4.106 ( -1.609 -1.849 -4.967) 5.539 4.296 ( -5.368 -3.880 -0.355) 6.633 4.485 ( 2.399 -2.320 3.008) 4.493 4.812 ( -3.872 2.724 -1.772) 5.055 4.967 ( -1.572 3.736 7.822) 8.810 5.528 ( 1.391 -1.775 0.553) 2.321 5.584 ( 0.558 3.062 -0.913) 3.244 5.722 ( 1.044 0.695 -4.490) 4.662 6.219 ( 0.275 -6.141 2.081) 6.490 6.265 ( 1.948 -0.732 -0.469) 2.133 8.050 ( -0.912 3.634 11.903) 12.478 8.746 ( -0.691 0.112 -9.400) 9.426 ======================= Grid point 253 (80/125) ======================= q-point: ( 0.44 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.762 ( 3.078 -6.086 7.086) 9.835 1.966 ( 0.038 5.322 4.719) 7.113 2.159 ( 5.421 0.729 3.722) 6.616 2.473 ( -0.270 0.121 -2.932) 2.947 2.868 ( 0.005 0.155 -4.191) 4.194 2.983 ( 2.273 -3.718 4.773) 6.463 3.073 ( -0.453 4.660 3.129) 5.632 3.211 ( -0.650 -0.713 1.108) 1.469 3.284 ( -1.359 2.764 -10.359) 10.807 3.388 ( 1.751 -1.574 -2.929) 3.758 3.613 ( 0.137 0.507 -3.505) 3.545 3.708 ( -2.952 -0.568 1.217) 3.243 4.141 ( 1.098 -2.300 -8.644) 9.012 4.249 ( -3.942 0.711 -6.708) 7.814 4.569 ( 1.174 -3.385 2.991) 4.667 4.736 ( -1.754 1.774 1.451) 2.886 4.917 ( 0.148 1.534 9.502) 9.626 5.545 ( -0.616 0.956 -3.200) 3.396 5.567 ( 1.314 -0.242 2.484) 2.821 5.728 ( 0.448 0.042 -4.084) 4.109 6.273 ( -0.414 -1.231 1.959) 2.350 6.300 ( 0.945 -1.059 0.580) 1.533 8.001 ( -0.332 1.405 12.325) 12.410 8.738 ( -0.290 0.083 -10.064) 10.069 ======================= Grid point 259 (81/125) ======================= q-point: ( 0.11 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.441 ( 18.788 0.000 12.280) 22.445 1.794 ( 3.009 0.000 22.734) 22.932 2.247 ( 6.634 0.000 -11.300) 13.104 2.358 ( 3.209 0.000 23.412) 23.631 2.888 ( 0.356 0.000 -4.221) 4.236 2.997 ( 2.055 0.000 -2.431) 3.184 3.020 ( 4.690 0.000 -1.672) 4.979 3.228 ( -0.097 -0.000 -1.056) 1.060 3.312 ( -1.818 -0.000 -2.308) 2.939 3.476 ( -3.287 -0.000 -7.974) 8.624 3.660 ( -0.267 -0.000 -6.054) 6.059 3.668 ( -2.313 -0.000 -5.875) 6.314 4.129 ( -4.384 -0.000 7.975) 9.100 4.137 ( -1.470 -0.000 3.565) 3.856 4.540 ( 1.032 0.000 -4.620) 4.733 4.990 ( -7.181 -0.000 1.933) 7.437 5.093 ( -1.738 -0.000 3.293) 3.723 5.533 ( -5.579 -0.000 3.611) 6.646 5.582 ( 0.264 0.000 2.202) 2.217 5.801 ( 0.090 0.000 -1.823) 1.825 5.936 ( 4.792 0.000 2.675) 5.489 6.155 ( 5.831 0.000 -8.558) 10.355 8.211 ( -1.573 -0.000 9.704) 9.831 8.751 ( -0.640 -0.000 -6.603) 6.634 ======================= Grid point 260 (82/125) ======================= q-point: ( 0.22 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.701 ( 17.506 -1.662 9.920) 20.190 1.785 ( 5.582 5.595 20.844) 22.292 2.330 ( 4.868 0.086 -5.046) 7.012 2.434 ( 4.880 -1.705 12.488) 13.516 2.888 ( 0.427 0.644 -3.460) 3.545 2.976 ( 2.834 3.476 -0.324) 4.496 3.130 ( 1.822 -3.298 -1.708) 4.137 3.215 ( 0.669 0.208 -2.564) 2.658 3.297 ( 1.528 1.335 0.092) 2.031 3.446 ( -4.236 -2.516 -5.235) 7.189 3.564 ( -2.814 4.317 -5.376) 7.447 3.722 ( -0.332 -3.383 -7.216) 7.977 4.077 ( -4.707 -0.417 4.688) 6.657 4.130 ( -2.404 -2.886 4.351) 5.748 4.530 ( 1.048 2.454 -3.583) 4.468 4.891 ( -5.305 1.560 -1.833) 5.826 5.062 ( -1.677 1.582 7.724) 8.061 5.470 ( -3.875 -0.979 1.616) 4.311 5.590 ( -1.965 -1.997 0.928) 2.952 5.780 ( 0.092 2.420 -4.169) 4.821 6.035 ( 4.400 -4.149 2.654) 6.604 6.232 ( 4.403 -0.864 -5.980) 7.476 8.167 ( -1.734 2.626 10.332) 10.801 8.744 ( -0.764 -0.180 -7.224) 7.267 ======================= Grid point 261 (83/125) ======================= q-point: ( 0.33 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.739 ( 5.683 5.026 18.702) 20.182 1.967 ( 13.788 -2.495 6.201) 15.322 2.330 ( 0.139 4.459 1.851) 4.830 2.504 ( 4.879 1.145 -0.538) 5.040 2.882 ( 0.469 0.744 -2.445) 2.598 2.958 ( 0.737 1.768 2.013) 2.779 3.131 ( -1.846 -0.409 -1.578) 2.463 3.250 ( 1.195 1.543 1.842) 2.683 3.322 ( 4.262 -0.227 -2.144) 4.776 3.423 ( -0.544 2.843 -8.051) 8.555 3.488 ( -6.724 -3.731 -0.546) 7.709 3.751 ( 0.817 0.186 -5.464) 5.528 4.038 ( -3.413 -2.600 -1.402) 4.514 4.171 ( -1.347 -4.687 2.637) 5.544 4.518 ( 2.800 1.311 -1.536) 3.452 4.812 ( -2.518 2.238 -2.806) 4.384 5.007 ( -0.878 2.888 8.838) 9.339 5.467 ( -3.074 -3.423 0.346) 4.613 5.595 ( -2.252 -1.874 0.530) 2.977 5.737 ( -0.424 2.392 -5.187) 5.728 6.152 ( 2.283 -4.681 2.031) 5.590 6.286 ( 2.608 -0.497 -3.143) 4.115 8.095 ( -1.342 3.648 11.265) 11.916 8.738 ( -0.634 -0.148 -8.349) 8.375 ======================= Grid point 262 (84/125) ======================= q-point: ( 0.44 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.769 ( 5.628 0.212 12.121) 13.365 2.082 ( 4.044 5.277 3.954) 7.735 2.227 ( -1.957 4.904 3.458) 6.312 2.513 ( 2.349 2.766 -1.727) 4.019 2.877 ( 0.364 0.653 -3.548) 3.626 2.955 ( -0.430 -1.856 3.211) 3.733 3.127 ( 0.008 1.631 1.078) 1.955 3.193 ( -2.040 2.116 4.464) 5.345 3.312 ( -0.917 3.212 -10.272) 10.801 3.424 ( 3.611 1.050 -2.813) 4.696 3.483 ( -6.645 -6.164 0.761) 9.096 3.758 ( 3.418 1.321 -3.547) 5.100 4.080 ( -1.550 -5.196 -7.105) 8.938 4.226 ( 2.360 -1.639 -3.625) 4.626 4.569 ( 4.473 -1.394 0.934) 4.777 4.760 ( 0.100 2.269 -0.973) 2.470 4.955 ( -0.189 2.876 9.679) 10.099 5.476 ( -4.288 -3.140 -0.076) 5.315 5.588 ( -1.628 -0.500 0.313) 1.731 5.702 ( -1.917 0.068 -5.119) 5.466 6.227 ( -0.021 -2.958 1.920) 3.527 6.324 ( 2.469 -0.380 -0.947) 2.671 8.029 ( -0.715 2.823 12.004) 12.352 8.734 ( -0.197 -0.168 -9.428) 9.432 ======================= Grid point 263 (85/125) ======================= q-point: (-0.44 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.840 ( 2.413 2.007 4.795) 5.731 1.960 ( 0.124 6.353 5.710) 8.543 2.096 ( -8.036 4.559 6.363) 11.218 2.502 ( 0.983 1.948 -3.109) 3.798 2.872 ( 0.347 0.415 -4.137) 4.172 3.001 ( -0.946 -3.227 2.716) 4.323 3.025 ( -2.723 4.653 6.193) 8.211 3.207 ( 0.013 -2.214 1.311) 2.572 3.266 ( -0.482 0.792 -12.198) 12.233 3.415 ( -0.418 1.415 -2.146) 2.604 3.521 ( -1.553 -4.402 0.714) 4.723 3.803 ( 5.692 0.756 -3.146) 6.548 4.118 ( -2.349 -2.632 -6.928) 7.774 4.299 ( 6.034 -0.616 -8.931) 10.796 4.637 ( 4.358 2.050 1.860) 5.162 4.756 ( 3.431 0.066 1.779) 3.865 4.912 ( -0.483 1.498 10.484) 10.602 5.459 ( -5.482 -3.097 -0.386) 6.308 5.573 ( -1.729 -0.291 -0.281) 1.776 5.682 ( -3.133 -1.386 -5.001) 6.062 6.253 ( -0.917 -1.491 2.446) 3.008 6.350 ( 2.457 1.540 0.173) 2.905 7.996 ( -0.097 0.563 12.406) 12.419 8.739 ( 0.317 -0.312 -10.098) 10.108 ======================= Grid point 264 (86/125) ======================= q-point: (-0.33 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.707 ( -1.266 9.332 8.445) 12.649 1.797 ( -10.961 8.727 11.370) 18.044 2.095 ( 1.441 -8.046 2.251) 8.478 2.450 ( -2.462 3.575 -6.581) 7.884 2.869 ( -0.054 0.768 -2.106) 2.243 2.912 ( -2.551 2.634 4.418) 5.741 3.066 ( -0.612 -4.182 1.799) 4.594 3.217 ( -0.178 -0.206 -4.403) 4.411 3.267 ( -2.603 -1.136 -7.321) 7.852 3.412 ( 3.853 0.655 -2.674) 4.736 3.572 ( -1.468 -4.305 -0.558) 4.583 3.857 ( 5.894 2.359 -2.685) 6.893 4.120 ( -1.270 -1.002 -4.571) 4.849 4.375 ( 4.108 -0.592 -8.961) 9.876 4.578 ( 1.769 9.199 10.553) 14.111 4.828 ( 3.548 -1.152 -1.549) 4.040 4.945 ( 4.862 -3.761 7.408) 9.626 5.435 ( -7.495 -3.795 1.138) 8.478 5.562 ( -0.971 -1.004 -1.870) 2.334 5.666 ( -3.217 -1.827 -5.759) 6.845 6.255 ( -0.913 -0.106 2.061) 2.256 6.324 ( 1.662 5.270 1.230) 5.661 8.011 ( 0.365 -2.213 12.412) 12.613 8.751 ( 0.570 -0.387 -10.114) 10.138 ======================= Grid point 265 (87/125) ======================= q-point: (-0.22 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.509 ( -8.689 9.838 14.464) 19.531 1.594 ( -1.183 3.229 16.494) 16.849 2.243 ( 0.637 -7.823 3.671) 8.665 2.342 ( -3.031 4.931 -9.641) 11.245 2.838 ( -1.184 0.577 3.549) 3.785 2.884 ( -0.293 0.130 -2.848) 2.866 3.120 ( -0.505 -3.542 1.348) 3.823 3.205 ( -1.572 2.047 -2.369) 3.504 3.249 ( -0.093 -1.425 -7.746) 7.877 3.472 ( 3.337 -1.061 -7.988) 8.722 3.612 ( -1.349 -3.034 -1.007) 3.469 3.861 ( 3.417 4.851 -2.149) 6.311 4.126 ( -0.418 -1.152 -0.506) 1.326 4.413 ( 3.008 5.924 4.425) 7.983 4.451 ( -0.503 2.315 1.901) 3.038 4.885 ( 1.219 -3.051 2.013) 3.853 5.106 ( 8.817 -2.934 -0.183) 9.294 5.391 ( -8.016 -4.226 3.849) 9.845 5.587 ( 0.251 -2.405 -0.554) 2.481 5.664 ( -2.311 -2.619 -7.550) 8.319 6.216 ( -0.244 6.797 1.484) 6.961 6.238 ( -0.118 4.228 1.151) 4.384 8.069 ( 0.451 -4.267 11.917) 12.666 8.762 ( 0.414 -0.218 -9.400) 9.412 ======================= Grid point 266 (88/125) ======================= q-point: (-0.11 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.298 ( 0.000 8.516 16.749) 18.789 1.595 ( -0.000 -4.106 22.944) 23.309 2.238 ( 0.000 4.937 -11.892) 12.876 2.340 ( -0.000 -3.283 10.898) 11.382 2.841 ( -0.000 -1.954 1.342) 2.371 2.881 ( 0.000 0.056 -3.624) 3.624 3.127 ( 0.000 3.942 -1.183) 4.116 3.178 ( -0.000 -2.133 -0.528) 2.198 3.290 ( -0.000 -2.953 -6.852) 7.461 3.505 ( -0.000 -0.593 -11.281) 11.297 3.634 ( -0.000 -0.520 -1.606) 1.688 3.806 ( 0.000 4.064 -1.977) 4.519 4.141 ( -0.000 -0.817 2.265) 2.408 4.295 ( 0.000 7.087 11.864) 13.820 4.480 ( -0.000 -2.261 -5.630) 6.067 4.960 ( -0.000 -5.240 6.480) 8.333 5.179 ( 0.000 1.233 -7.823) 7.920 5.424 ( -0.000 -6.406 8.306) 10.490 5.624 ( -0.000 -1.441 2.812) 3.160 5.703 ( -0.000 -4.359 -8.432) 9.492 6.064 ( 0.000 10.476 3.503) 11.046 6.176 ( 0.000 4.303 -3.082) 5.293 8.145 ( -0.000 -4.620 10.949) 11.884 8.766 ( 0.000 0.111 -8.167) 8.168 ======================= Grid point 269 (89/125) ======================= q-point: ( 0.22 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.899 ( 5.010 0.000 19.291) 19.931 1.910 ( 16.069 0.000 6.903) 17.489 2.412 ( 5.034 0.000 -6.376) 8.123 2.464 ( 4.542 0.000 18.230) 18.787 2.901 ( 0.661 0.000 -3.614) 3.674 2.982 ( -4.377 -0.000 2.555) 5.068 3.202 ( 8.575 0.000 -3.581) 9.293 3.204 ( -0.451 -0.000 -4.170) 4.194 3.339 ( 2.830 0.000 1.399) 3.157 3.343 ( -6.132 -0.000 0.815) 6.186 3.611 ( -1.893 -0.000 -9.478) 9.665 3.665 ( 0.626 0.000 -8.050) 8.074 4.007 ( -4.842 -0.000 5.894) 7.628 4.093 ( -0.481 -0.000 1.509) 1.584 4.568 ( 1.605 0.000 -3.871) 4.190 4.843 ( -3.525 -0.000 -2.842) 4.528 5.057 ( -1.221 -0.000 10.406) 10.478 5.398 ( -4.876 -0.000 2.369) 5.421 5.536 ( -3.474 -0.000 -1.898) 3.958 5.804 ( 0.384 0.000 -5.616) 5.630 6.056 ( 3.697 0.000 3.042) 4.787 6.277 ( 3.009 0.000 -6.356) 7.032 8.165 ( -1.814 -0.000 10.309) 10.467 8.733 ( -0.708 -0.000 -6.923) 6.959 ======================= Grid point 270 (90/125) ======================= q-point: ( 0.33 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.910 ( 5.983 5.897 18.169) 20.017 2.102 ( 11.766 -1.130 5.454) 13.018 2.401 ( 0.344 4.680 2.725) 5.426 2.554 ( 3.447 -2.015 6.697) 7.797 2.899 ( -0.073 0.689 -0.879) 1.119 2.932 ( -4.237 -1.106 1.614) 4.666 3.152 ( -0.111 3.107 -3.702) 4.834 3.278 ( -4.854 -3.963 -0.056) 6.267 3.321 ( 1.182 1.882 2.970) 3.710 3.379 ( 4.394 -0.175 -1.111) 4.536 3.526 ( -0.335 5.410 -7.973) 9.641 3.731 ( 0.914 -4.250 -10.023) 10.925 3.953 ( -4.436 -1.074 4.370) 6.319 4.136 ( 4.417 -2.468 -0.306) 5.069 4.584 ( 3.918 1.564 -2.834) 5.082 4.811 ( -1.120 0.439 -4.132) 4.303 5.031 ( -0.786 1.528 11.304) 11.433 5.364 ( -4.366 -2.854 1.516) 5.431 5.506 ( -4.565 -2.538 -2.683) 5.872 5.785 ( 0.347 3.006 -6.101) 6.811 6.118 ( 1.866 -3.014 2.453) 4.311 6.304 ( 0.957 -0.476 -4.990) 5.103 8.125 ( -1.419 2.233 10.885) 11.202 8.727 ( -0.526 -0.230 -7.424) 7.446 ======================= Grid point 271 (91/125) ======================= q-point: ( 0.44 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.894 ( 6.100 5.264 15.106) 17.121 2.216 ( 6.613 2.695 4.346) 8.359 2.279 ( -4.360 7.325 5.957) 10.400 2.579 ( 0.700 2.000 1.437) 2.560 2.891 ( -0.339 -0.443 0.772) 0.952 2.909 ( -1.585 -0.655 -1.238) 2.116 3.125 ( -1.137 -0.797 -2.243) 2.638 3.226 ( -3.819 4.900 6.964) 9.333 3.308 ( -4.139 -4.836 2.639) 6.891 3.372 ( 0.439 4.669 -9.956) 11.005 3.499 ( 3.847 1.352 -1.881) 4.491 3.796 ( 2.379 -1.366 -7.395) 7.887 3.959 ( -2.963 -5.573 -1.607) 6.513 4.260 ( 7.641 -2.463 -4.024) 8.980 4.634 ( 6.728 0.552 -1.426) 6.900 4.799 ( 1.323 1.134 -3.354) 3.779 4.994 ( -0.214 2.322 11.385) 11.621 5.358 ( -5.266 -3.510 0.747) 6.372 5.494 ( -5.548 -3.834 -2.659) 7.249 5.726 ( -0.397 3.940 -5.236) 6.565 6.180 ( -0.162 -2.975 1.801) 3.481 6.331 ( 1.054 -1.835 -2.799) 3.509 8.067 ( -0.851 3.075 11.631) 12.061 8.727 ( -0.168 -0.410 -8.423) 8.435 ======================= Grid point 272 (92/125) ======================= q-point: (-0.44 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.906 ( 4.514 2.074 8.984) 10.266 2.076 ( -6.280 9.322 9.236) 14.548 2.159 ( 1.516 10.300 4.461) 11.327 2.539 ( -0.901 2.283 -2.120) 3.244 2.889 ( 0.562 0.916 -3.512) 3.673 2.931 ( -0.872 -3.677 1.816) 4.192 3.077 ( -3.409 6.465 8.158) 10.953 3.146 ( -1.909 -3.658 -1.825) 4.512 3.300 ( -0.070 3.770 -9.133) 9.881 3.353 ( -1.557 -4.987 1.253) 5.373 3.521 ( 2.186 1.264 -1.637) 3.009 3.856 ( 3.770 -1.683 -3.909) 5.685 4.016 ( -2.766 -5.373 -5.579) 8.225 4.374 ( 6.169 -0.213 -9.391) 11.238 4.733 ( 8.175 -0.106 -0.153) 8.177 4.816 ( 4.434 0.732 -0.757) 4.558 4.948 ( -0.139 3.261 12.859) 13.266 5.328 ( -7.417 -2.754 -0.724) 7.944 5.483 ( -5.795 -3.965 -2.254) 7.375 5.665 ( -0.910 2.392 -4.619) 5.281 6.210 ( -1.076 -2.309 2.637) 3.667 6.381 ( 1.871 -1.467 -1.317) 2.718 8.016 ( -0.335 2.219 12.239) 12.443 8.735 ( 0.190 -0.557 -9.491) 9.509 ======================= Grid point 273 (93/125) ======================= q-point: (-0.33 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.841 ( -5.165 10.744 12.274) 17.110 1.879 ( 0.508 9.571 4.404) 10.548 2.044 ( 1.403 0.911 4.995) 5.267 2.481 ( -1.537 3.295 -5.141) 6.296 2.884 ( 0.480 0.576 -3.398) 3.480 2.937 ( -2.111 3.989 6.772) 8.138 2.998 ( -0.366 -3.066 2.662) 4.077 3.185 ( -1.025 -3.213 -2.773) 4.366 3.252 ( -0.286 2.005 -10.004) 10.206 3.428 ( 1.318 -4.542 2.645) 5.419 3.516 ( -0.217 0.550 -2.875) 2.935 3.937 ( 4.695 -1.011 -4.875) 6.843 4.047 ( -3.412 -3.692 -3.539) 6.148 4.419 ( 2.474 0.907 -11.037) 11.348 4.756 ( 3.425 7.678 8.834) 12.195 4.861 ( 1.096 1.660 0.884) 2.177 4.977 ( 9.120 -3.842 6.359) 11.763 5.263 ( -9.913 -3.197 -1.220) 10.487 5.486 ( -3.351 -4.216 -1.649) 5.632 5.631 ( -0.806 0.612 -5.863) 5.950 6.232 ( -0.566 -1.678 3.472) 3.898 6.403 ( 1.270 1.802 -0.219) 2.215 7.995 ( 0.006 0.005 12.563) 12.563 8.748 ( 0.270 -0.616 -10.177) 10.199 ======================= Grid point 274 (94/125) ======================= q-point: (-0.22 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.627 ( 0.000 11.440 14.614) 18.559 1.700 ( 0.000 10.478 9.132) 13.899 2.122 ( -0.000 -7.271 2.385) 7.652 2.404 ( 0.000 4.814 -8.019) 9.354 2.860 ( 0.000 3.151 6.153) 6.913 2.884 ( 0.000 0.104 -3.392) 3.394 3.056 ( -0.000 -4.028 1.708) 4.375 3.211 ( -0.000 -0.571 -2.522) 2.586 3.232 ( 0.000 0.036 -9.265) 9.265 3.495 ( 0.000 0.558 -6.601) 6.624 3.529 ( -0.000 -5.398 2.761) 6.063 3.956 ( 0.000 3.333 -6.739) 7.518 4.079 ( -0.000 -3.610 0.431) 3.636 4.427 ( -0.000 -0.303 -8.972) 8.978 4.611 ( 0.000 11.540 14.117) 18.234 4.862 ( -0.000 -0.796 0.642) 1.022 5.176 ( -0.000 -1.345 -6.006) 6.155 5.195 ( -0.000 -7.498 8.777) 11.544 5.533 ( -0.000 -4.084 -0.295) 4.094 5.625 ( -0.000 -0.589 -8.321) 8.342 6.243 ( 0.000 0.073 2.657) 2.658 6.349 ( 0.000 5.927 1.119) 6.032 8.016 ( -0.000 -2.567 12.482) 12.744 8.759 ( -0.000 -0.503 -10.156) 10.168 ======================= Grid point 279 (95/125) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.035 ( 5.405 0.000 16.018) 16.905 2.228 ( 9.626 0.000 5.877) 11.278 2.451 ( -2.484 -0.000 2.469) 3.503 2.551 ( 1.764 0.000 12.938) 13.057 2.856 ( -3.564 -0.000 2.998) 4.657 2.920 ( 0.749 0.000 -2.639) 2.743 3.122 ( -7.582 -0.000 0.621) 7.607 3.204 ( 0.094 0.000 -3.777) 3.778 3.347 ( -2.755 -0.000 5.099) 5.796 3.463 ( 7.378 0.000 -3.161) 8.026 3.575 ( -0.938 -0.000 -8.320) 8.373 3.681 ( 0.605 0.000 -9.526) 9.545 3.895 ( -3.884 -0.000 5.283) 6.557 4.202 ( 8.741 0.000 -2.761) 9.167 4.665 ( 6.772 0.000 -2.776) 7.319 4.804 ( 0.036 0.000 -4.788) 4.788 5.036 ( -0.293 -0.000 13.256) 13.259 5.286 ( -4.139 -0.000 0.486) 4.167 5.420 ( -5.636 -0.000 -4.418) 7.161 5.821 ( 0.828 0.000 -7.749) 7.793 6.108 ( 0.671 0.000 3.181) 3.251 6.295 ( -1.352 -0.000 -5.411) 5.577 8.127 ( -1.136 -0.000 10.973) 11.031 8.719 ( -0.393 -0.000 -7.064) 7.075 ======================= Grid point 280 (96/125) ======================= q-point: ( 0.44 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.054 ( 4.929 5.094 15.252) 16.818 2.321 ( 1.235 4.004 5.528) 6.936 2.349 ( 1.368 3.572 8.478) 9.301 2.579 ( -1.562 -1.048 6.946) 7.196 2.841 ( -1.359 -1.743 1.654) 2.761 2.922 ( 0.583 0.779 -2.456) 2.642 3.054 ( -5.204 -2.003 -0.094) 5.577 3.213 ( -0.190 -0.885 -0.703) 1.146 3.273 ( -3.603 3.167 6.057) 7.727 3.474 ( 1.497 6.378 -9.930) 11.896 3.550 ( 1.585 0.502 -0.410) 1.712 3.763 ( 1.377 -6.011 -11.235) 12.816 3.860 ( -2.791 -1.653 4.391) 5.460 4.333 ( 8.675 -1.580 -5.324) 10.300 4.749 ( 8.136 1.558 -2.315) 8.601 4.823 ( 2.162 -0.786 -3.581) 4.256 5.025 ( 0.415 1.440 13.480) 13.563 5.250 ( -4.761 -1.871 -0.576) 5.148 5.365 ( -6.259 -2.557 -5.010) 8.415 5.794 ( 0.249 4.153 -6.775) 7.951 6.133 ( -0.415 -2.260 2.177) 3.165 6.292 ( -1.255 -2.626 -4.134) 5.056 8.098 ( -0.692 1.997 11.413) 11.607 8.718 ( -0.175 -0.407 -7.464) 7.478 ======================= Grid point 281 (97/125) ======================= q-point: ( 0.56 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.018 ( 3.013 5.477 12.648) 14.109 2.154 ( -3.609 8.861 10.929) 14.525 2.348 ( 3.733 7.954 6.426) 10.885 2.542 ( -2.685 0.765 -0.240) 2.802 2.868 ( -0.466 -3.009 1.243) 3.289 2.913 ( 0.407 1.151 -2.803) 3.057 3.054 ( -2.338 -3.817 -0.269) 4.485 3.142 ( -2.041 5.825 8.242) 10.297 3.268 ( -0.151 -3.988 0.823) 4.075 3.380 ( 0.237 5.978 -10.163) 11.793 3.561 ( 1.044 0.804 -0.855) 1.571 3.848 ( 1.346 -3.023 -1.368) 3.581 3.898 ( -1.563 -5.887 -6.755) 9.096 4.437 ( 4.225 -0.464 -9.440) 10.353 4.824 ( 4.961 -0.093 -2.135) 5.402 4.883 ( 6.125 -0.485 0.299) 6.151 5.001 ( 0.640 2.715 13.662) 13.944 5.205 ( -6.353 -1.089 -2.011) 6.752 5.345 ( -4.779 -4.161 -4.981) 8.060 5.717 ( -0.301 4.797 -4.702) 6.724 6.159 ( -0.877 -2.378 1.967) 3.208 6.348 ( 0.345 -4.352 -2.573) 5.068 8.053 ( -0.276 2.788 11.946) 12.270 8.726 ( 0.025 -0.701 -8.449) 8.478 ======================= Grid point 282 (98/125) ======================= q-point: (-0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.968 ( 0.000 3.157 7.511) 8.148 1.976 ( 0.000 10.376 12.645) 16.357 2.190 ( 0.000 12.956 5.225) 13.969 2.510 ( 0.000 1.654 -3.332) 3.719 2.898 ( 0.000 0.934 -3.258) 3.390 2.918 ( -0.000 -3.478 1.735) 3.887 3.026 ( 0.000 5.498 9.238) 10.751 3.116 ( -0.000 -4.225 -2.597) 4.959 3.301 ( 0.000 4.207 -10.066) 10.910 3.346 ( -0.000 -5.600 3.002) 6.354 3.545 ( 0.000 1.940 -2.409) 3.093 3.927 ( -0.000 -5.093 3.281) 6.059 3.958 ( -0.000 -3.134 -11.640) 12.054 4.454 ( 0.000 1.096 -11.713) 11.764 4.848 ( 0.000 1.097 -1.383) 1.765 4.932 ( 0.000 5.548 11.673) 12.924 4.994 ( -0.000 -4.569 6.165) 7.673 5.149 ( 0.000 0.125 -4.046) 4.048 5.386 ( -0.000 -4.907 -3.898) 6.267 5.653 ( 0.000 2.762 -4.280) 5.093 6.193 ( -0.000 -2.562 3.224) 4.118 6.407 ( -0.000 -2.144 -1.533) 2.635 8.011 ( 0.000 1.996 12.372) 12.532 8.739 ( -0.000 -0.752 -9.529) 9.558 ======================= Grid point 289 (99/125) ======================= q-point: ( 0.44 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.151 ( 3.226 0.000 14.848) 15.195 2.341 ( -3.971 -0.000 9.627) 10.414 2.422 ( 5.913 0.000 5.639) 8.171 2.538 ( -2.760 -0.000 10.685) 11.036 2.818 ( -0.282 -0.000 0.472) 0.550 2.936 ( 0.419 0.000 -1.794) 1.842 2.981 ( -2.971 -0.000 0.655) 3.042 3.207 ( 0.198 0.000 -3.777) 3.782 3.260 ( -2.620 -0.000 7.582) 8.022 3.560 ( 0.353 0.000 2.224) 2.252 3.569 ( 0.833 0.000 -12.525) 12.553 3.696 ( 0.446 0.000 -9.777) 9.787 3.823 ( -1.507 -0.000 4.408) 4.658 4.416 ( 5.588 0.000 -7.028) 8.979 4.829 ( 1.380 0.000 -2.194) 2.592 4.874 ( 7.460 0.000 -0.470) 7.475 5.047 ( 1.091 0.000 14.597) 14.638 5.182 ( -3.852 -0.000 -3.112) 4.952 5.269 ( -5.188 -0.000 -7.006) 8.717 5.838 ( 0.374 0.000 -8.431) 8.439 6.109 ( -0.204 -0.000 3.165) 3.171 6.242 ( -1.773 -0.000 -4.583) 4.914 8.108 ( -0.359 -0.000 11.429) 11.435 8.713 ( -0.105 -0.000 -7.051) 7.051 ======================= Grid point 290 (100/125) ======================= q-point: (-0.44 -0.56 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.128 ( 0.000 5.130 14.788) 15.653 2.255 ( 0.000 6.499 10.388) 12.254 2.477 ( 0.000 3.467 13.236) 13.682 2.501 ( -0.000 -1.911 -0.509) 1.978 2.828 ( -0.000 -1.570 0.522) 1.655 2.932 ( 0.000 0.816 -2.038) 2.195 2.984 ( -0.000 -2.680 0.384) 2.707 3.209 ( 0.000 4.016 8.741) 9.619 3.222 ( -0.000 -1.746 -2.829) 3.324 3.489 ( 0.000 7.280 -10.861) 13.075 3.568 ( -0.000 -0.565 1.572) 1.671 3.783 ( -0.000 -7.136 -11.640) 13.653 3.822 ( -0.000 -1.217 4.343) 4.511 4.458 ( -0.000 -0.573 -8.722) 8.741 4.844 ( -0.000 -0.562 -1.156) 1.285 4.928 ( -0.000 -0.167 1.528) 1.538 5.042 ( 0.000 1.764 13.802) 13.914 5.154 ( -0.000 -0.168 -3.567) 3.571 5.254 ( -0.000 -2.781 -7.692) 8.180 5.796 ( 0.000 4.821 -6.620) 8.190 6.122 ( -0.000 -1.544 1.853) 2.412 6.272 ( -0.000 -4.585 -3.527) 5.785 8.090 ( 0.000 1.930 11.641) 11.800 8.716 ( -0.000 -0.511 -7.452) 7.470 ======================= Grid point 332 (101/125) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.521 ( 0.000 0.000 16.755) 16.755 1.856 ( 0.000 0.000 -14.936) 14.936 2.218 ( 0.000 0.000 19.342) 19.342 2.536 ( 0.000 0.000 -8.196) 8.196 2.910 ( 0.000 0.000 -0.999) 0.999 2.924 ( 0.000 0.000 -1.841) 1.841 2.936 ( 0.000 0.000 13.148) 13.148 3.203 ( 0.000 0.000 -9.928) 9.928 3.248 ( 0.000 0.000 2.320) 2.320 3.329 ( 0.000 0.000 -5.879) 5.879 3.594 ( 0.000 0.000 -1.160) 1.160 3.620 ( 0.000 0.000 -3.124) 3.124 4.266 ( 0.000 0.000 6.073) 6.073 4.399 ( 0.000 0.000 -6.251) 6.251 4.470 ( 0.000 0.000 15.910) 15.910 4.827 ( 0.000 0.000 -16.998) 16.998 5.394 ( 0.000 0.000 14.556) 14.556 5.660 ( 0.000 0.000 3.370) 3.370 5.686 ( 0.000 0.000 -12.304) 12.304 5.688 ( 0.000 0.000 0.750) 0.750 5.908 ( 0.000 0.000 1.254) 1.254 5.921 ( 0.000 0.000 -0.706) 0.706 8.429 ( 0.000 0.000 9.001) 9.001 8.608 ( 0.000 0.000 -7.924) 7.924 ======================= Grid point 333 (102/125) ======================= q-point: ( 0.11 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.604 ( 7.747 -3.840 15.504) 17.752 1.918 ( 5.095 -3.383 -14.025) 15.301 2.174 ( 1.078 6.035 19.558) 20.496 2.495 ( 0.524 5.541 -8.590) 10.236 2.908 ( 1.762 0.024 2.055) 2.707 2.929 ( 0.074 0.935 10.666) 10.707 2.983 ( 1.930 -4.082 -4.077) 6.084 3.166 ( -0.943 3.321 -9.102) 9.735 3.246 ( 1.251 1.428 1.723) 2.564 3.323 ( 0.215 1.022 -5.806) 5.900 3.594 ( -1.662 -1.746 0.527) 2.468 3.648 ( -1.511 -3.742 -4.157) 5.794 4.247 ( -1.504 1.258 5.627) 5.959 4.361 ( -3.842 0.514 -3.336) 5.114 4.514 ( 1.228 -3.290 12.866) 13.337 4.835 ( -2.295 -2.378 -15.038) 15.397 5.309 ( -2.626 6.303 12.376) 14.135 5.544 ( -5.614 6.259 -7.622) 11.348 5.659 ( 1.613 2.024 2.001) 3.272 5.698 ( 2.064 2.768 -1.447) 3.744 5.994 ( 2.243 -7.280 2.132) 7.910 6.031 ( 2.838 -7.442 -1.969) 8.204 8.408 ( -0.690 1.943 9.440) 9.663 8.597 ( -0.537 0.925 -8.398) 8.466 ======================= Grid point 334 (103/125) ======================= q-point: ( 0.22 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.809 ( 11.181 -5.784 12.720) 17.896 2.050 ( 2.873 0.564 3.244) 4.370 2.096 ( 6.290 2.381 3.598) 7.627 2.382 ( 0.990 9.593 -8.571) 12.902 2.904 ( -0.045 1.973 6.920) 7.196 2.958 ( 2.937 -2.152 5.359) 6.479 3.090 ( 2.965 -5.139 -6.114) 8.520 3.094 ( -0.788 3.838 -8.882) 9.708 3.233 ( 1.972 2.718 1.667) 3.749 3.301 ( 0.192 2.112 -5.076) 5.502 3.601 ( -2.853 -2.514 1.913) 4.257 3.681 ( -2.665 -3.519 -4.888) 6.587 4.187 ( -3.511 2.419 4.657) 6.314 4.291 ( -4.805 1.605 -4.439) 6.735 4.590 ( -0.578 -5.430 12.050) 13.229 4.822 ( -4.749 -1.201 -8.634) 9.926 5.193 ( -0.755 4.714 9.090) 10.267 5.408 ( -2.144 3.426 -9.770) 10.573 5.638 ( 2.233 3.496 2.392) 4.788 5.680 ( 1.284 1.943 -1.145) 2.596 6.141 ( 1.578 -7.442 1.909) 7.844 6.171 ( 2.024 -5.975 -1.233) 6.428 8.357 ( -1.015 2.956 10.475) 10.932 8.568 ( -0.840 1.500 -9.514) 9.668 ======================= Grid point 335 (104/125) ======================= q-point: ( 0.33 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.964 ( 2.252 4.171 13.288) 14.108 2.047 ( 7.415 -3.412 9.530) 12.548 2.192 ( 3.177 4.358 -4.974) 7.337 2.293 ( 6.058 0.729 -8.783) 10.695 2.871 ( -0.299 1.687 4.387) 4.710 3.024 ( 0.599 0.449 -2.303) 2.422 3.049 ( 1.499 -1.037 0.097) 1.826 3.183 ( 0.653 0.587 -3.361) 3.474 3.231 ( 3.392 -1.490 -1.576) 4.026 3.270 ( 1.535 2.450 -2.837) 4.051 3.597 ( -2.640 -1.485 2.310) 3.810 3.691 ( -3.011 -2.397 -5.103) 6.391 4.092 ( -4.532 2.408 2.932) 5.911 4.191 ( -5.193 2.692 -5.876) 8.291 4.650 ( -2.142 -3.739 7.716) 8.837 4.762 ( -4.072 0.877 -3.293) 5.310 5.151 ( 1.321 0.999 10.104) 10.239 5.387 ( 0.521 -0.849 -11.182) 11.226 5.615 ( 2.231 2.766 3.000) 4.650 5.669 ( 1.066 1.383 -1.926) 2.600 6.253 ( 0.329 -5.118 1.072) 5.240 6.264 ( 1.001 -3.410 -0.053) 3.554 8.299 ( -0.849 2.592 11.547) 11.864 8.534 ( -0.750 1.382 -10.665) 10.780 ======================= Grid point 336 (105/125) ======================= q-point: ( 0.44 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.940 ( 1.278 0.652 8.141) 8.266 2.035 ( -1.047 4.569 0.097) 4.689 2.254 ( 5.184 -1.775 5.375) 7.676 2.380 ( 2.384 -1.290 -5.842) 6.440 2.849 ( -0.138 0.634 3.418) 3.479 3.008 ( 0.159 0.568 -10.375) 10.391 3.098 ( -0.161 -2.288 4.716) 5.245 3.139 ( 0.008 3.148 1.757) 3.605 3.269 ( 1.419 0.179 0.164) 1.439 3.308 ( 2.107 -1.178 -4.022) 4.691 3.587 ( -1.110 -0.393 2.729) 2.972 3.685 ( -1.563 -0.815 -4.111) 4.473 4.027 ( -1.625 0.292 -0.862) 1.863 4.094 ( -3.082 2.036 -6.207) 7.223 4.657 ( -1.276 -0.728 3.682) 3.964 4.713 ( -1.377 0.579 -1.923) 2.435 5.175 ( 1.145 -0.819 12.354) 12.434 5.407 ( 0.214 -0.487 -9.269) 9.284 5.612 ( 1.220 0.620 2.143) 2.543 5.662 ( 0.329 0.695 -2.543) 2.657 6.304 ( -0.095 -1.372 0.907) 1.648 6.311 ( 0.277 -1.476 0.250) 1.523 8.262 ( -0.323 1.023 12.198) 12.245 8.511 ( -0.298 0.560 -11.361) 11.379 ======================= Grid point 342 (106/125) ======================= q-point: ( 0.11 0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.711 ( 12.963 0.000 13.036) 18.384 1.979 ( 8.148 0.000 -11.834) 14.368 2.250 ( 2.870 0.000 17.795) 18.025 2.553 ( 1.381 0.000 -8.113) 8.230 2.933 ( 0.610 0.000 9.052) 9.073 2.953 ( 3.115 0.000 -0.874) 3.235 2.984 ( 3.910 0.000 1.172) 4.082 3.177 ( -1.574 -0.000 -6.693) 6.876 3.280 ( 2.211 0.000 0.596) 2.290 3.336 ( 0.581 0.000 -4.597) 4.634 3.561 ( -2.367 -0.000 -2.237) 3.257 3.576 ( -3.401 -0.000 -3.016) 4.546 4.230 ( -2.962 -0.000 4.795) 5.636 4.291 ( -6.244 -0.000 2.274) 6.645 4.517 ( 1.762 0.000 6.749) 6.975 4.782 ( -3.100 -0.000 -14.126) 14.462 5.317 ( -3.790 -0.000 11.591) 12.195 5.517 ( -6.451 -0.000 -5.950) 8.776 5.656 ( -1.941 -0.000 3.763) 4.234 5.730 ( -1.339 -0.000 -3.698) 3.933 5.988 ( 5.494 0.000 2.213) 5.923 6.037 ( 6.792 0.000 -3.008) 7.429 8.411 ( -1.241 -0.000 9.198) 9.281 8.595 ( -0.932 -0.000 -8.130) 8.184 ======================= Grid point 343 (107/125) ======================= q-point: ( 0.22 0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.904 ( 13.363 -2.415 9.819) 16.757 2.093 ( 6.146 -1.128 -4.426) 7.657 2.255 ( 6.164 5.207 12.494) 14.873 2.528 ( 2.209 5.805 -8.061) 10.176 2.935 ( 0.470 1.174 9.215) 9.302 2.989 ( 3.905 0.424 2.086) 4.448 3.063 ( 3.339 -2.741 -4.063) 5.931 3.138 ( -0.491 2.316 -6.452) 6.873 3.301 ( 3.233 1.628 0.639) 3.676 3.338 ( 1.268 1.228 -3.159) 3.619 3.515 ( -4.457 -1.463 0.535) 4.721 3.584 ( -3.101 -4.012 -5.496) 7.478 4.167 ( -4.666 1.790 4.075) 6.448 4.222 ( -6.019 -0.926 0.622) 6.121 4.544 ( 1.070 -1.366 6.814) 7.032 4.752 ( -3.284 -1.109 -10.045) 10.626 5.246 ( -1.617 3.433 9.088) 9.848 5.419 ( -3.929 2.392 -6.303) 7.803 5.638 ( -3.292 -1.798 2.888) 4.734 5.699 ( -1.695 0.909 -3.041) 3.598 6.089 ( 4.361 -3.716 2.435) 6.226 6.143 ( 4.725 -2.962 -2.932) 6.300 8.380 ( -1.368 1.764 9.751) 10.003 8.575 ( -1.036 0.856 -8.707) 8.810 ======================= Grid point 344 (108/125) ======================= q-point: ( 0.33 0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.075 ( 6.334 2.098 9.239) 11.397 2.120 ( 5.298 1.795 8.123) 9.863 2.294 ( 6.849 2.130 -0.464) 7.188 2.448 ( 4.300 7.884 -7.560) 11.739 2.905 ( 0.124 2.633 6.036) 6.587 3.032 ( 1.121 -0.600 3.785) 3.993 3.071 ( -0.312 1.592 -5.451) 5.687 3.159 ( 0.782 -1.503 -7.447) 7.637 3.305 ( 3.637 3.250 1.732) 5.176 3.343 ( 4.103 1.844 -1.636) 4.786 3.501 ( -4.780 -4.098 2.714) 6.857 3.609 ( -2.249 -3.687 -6.840) 8.090 4.070 ( -4.576 2.272 3.571) 6.233 4.157 ( -4.323 0.839 -3.724) 5.767 4.590 ( 0.871 -2.675 6.903) 7.455 4.728 ( -2.088 -0.273 -5.333) 5.734 5.191 ( 0.527 2.240 8.682) 8.982 5.374 ( -1.102 -0.671 -7.972) 8.076 5.623 ( -3.505 -1.599 1.823) 4.262 5.663 ( -2.107 0.568 -2.061) 3.002 6.195 ( 2.163 -4.152 2.004) 5.093 6.236 ( 2.494 -2.995 -1.940) 4.354 8.328 ( -1.061 2.543 10.753) 11.100 8.546 ( -0.799 1.272 -9.767) 9.881 ======================= Grid point 345 (109/125) ======================= q-point: ( 0.44 0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.024 ( 2.716 6.130 10.182) 12.191 2.135 ( 1.728 6.755 -0.211) 6.976 2.311 ( 2.893 2.339 4.742) 6.028 2.433 ( 3.949 2.780 -5.843) 7.580 2.869 ( 0.172 1.895 4.069) 4.492 3.026 ( -0.063 0.643 -5.690) 5.726 3.058 ( -1.780 -0.509 0.864) 2.043 3.150 ( -2.196 0.227 -3.893) 4.475 3.294 ( 1.199 2.854 4.033) 5.084 3.370 ( 3.819 2.079 -2.762) 5.152 3.520 ( -2.586 -4.218 4.119) 6.438 3.650 ( 0.424 -3.061 -6.679) 7.359 4.011 ( -1.133 0.058 1.264) 1.698 4.102 ( -0.256 1.637 -6.360) 6.573 4.641 ( 1.718 -1.626 4.204) 4.824 4.714 ( 0.241 0.324 -2.773) 2.803 5.188 ( 1.311 0.211 10.806) 10.888 5.388 ( -0.875 -1.777 -7.663) 7.915 5.598 ( -3.660 -1.061 0.782) 3.890 5.627 ( -3.693 -0.504 -2.077) 4.267 6.269 ( 0.668 -2.919 1.896) 3.544 6.303 ( 1.753 -2.106 -1.239) 3.008 8.281 ( -0.510 1.996 11.738) 11.918 8.520 ( -0.307 0.977 -10.823) 10.872 ======================= Grid point 346 (110/125) ======================= q-point: (-0.44 0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.973 ( 1.098 4.421 6.366) 7.828 2.045 ( 1.871 4.038 0.581) 4.488 2.245 ( -4.757 5.188 7.804) 10.509 2.403 ( -1.160 3.968 -6.431) 7.645 2.853 ( 0.456 0.657 3.310) 3.405 3.011 ( 0.061 1.060 -10.764) 10.816 3.068 ( -1.495 -3.623 3.550) 5.288 3.125 ( -0.956 0.272 0.238) 1.022 3.235 ( -3.235 2.262 3.950) 5.584 3.357 ( 1.018 3.655 -5.086) 6.345 3.563 ( -0.225 -3.353 5.305) 6.280 3.709 ( 2.436 -1.598 -6.559) 7.177 4.032 ( 1.674 -1.788 0.409) 2.483 4.120 ( 4.282 -0.661 -6.996) 8.229 4.694 ( 4.221 -0.510 2.401) 4.883 4.734 ( 3.130 -0.375 -1.586) 3.529 5.188 ( -0.079 1.639 12.482) 12.590 5.396 ( -1.342 -1.272 -6.520) 6.777 5.559 ( -4.846 -0.338 -0.085) 4.858 5.590 ( -5.453 -2.840 -3.019) 6.849 6.306 ( 0.316 -0.959 2.292) 2.505 6.342 ( 1.680 0.102 -1.058) 1.988 8.258 ( 0.061 0.346 12.323) 12.328 8.511 ( 0.217 0.068 -11.462) 11.464 ======================= Grid point 347 (111/125) ======================= q-point: (-0.33 0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.922 ( -0.087 1.389 10.458) 10.550 2.045 ( -5.722 6.797 10.765) 13.958 2.091 ( -0.409 -3.547 -2.967) 4.642 2.279 ( -4.902 6.123 -9.635) 12.424 2.860 ( 0.657 -0.553 3.317) 3.426 3.009 ( 0.306 -0.683 -9.327) 9.357 3.073 ( -1.700 3.944 8.228) 9.281 3.119 ( -1.199 -3.710 2.112) 4.434 3.192 ( -2.788 -1.748 -2.180) 3.947 3.292 ( 0.029 4.382 -8.802) 9.833 3.613 ( 1.057 -2.054 5.082) 5.583 3.751 ( 2.471 0.381 -6.905) 7.343 4.100 ( 2.874 -2.805 2.824) 4.910 4.206 ( 4.132 -2.677 -6.679) 8.297 4.748 ( 5.186 2.125 4.636) 7.273 4.808 ( 5.981 -1.197 -1.322) 6.241 5.140 ( -1.214 2.041 11.599) 11.839 5.394 ( -0.650 0.547 -10.772) 10.806 5.503 ( -6.660 -3.197 3.169) 8.038 5.580 ( -5.216 -4.298 -3.361) 7.548 6.304 ( 0.214 1.818 2.157) 2.829 6.334 ( 1.239 3.535 -0.506) 3.780 8.273 ( 0.450 -1.661 12.246) 12.366 8.523 ( 0.516 -0.991 -11.396) 11.451 ======================= Grid point 348 (112/125) ======================= q-point: (-0.22 0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.815 ( -5.710 8.706 14.243) 17.643 1.956 ( -0.481 -4.495 16.380) 16.992 2.099 ( -3.580 7.071 -12.408) 14.724 2.224 ( -0.107 -8.950 -7.557) 11.714 2.883 ( 0.494 -1.285 4.580) 4.783 2.977 ( -1.634 4.013 8.175) 9.252 3.047 ( 0.375 -2.930 -9.495) 9.944 3.139 ( -1.539 3.733 -4.644) 6.154 3.168 ( -1.078 -2.781 2.117) 3.658 3.272 ( 0.259 -1.241 -8.589) 8.682 3.646 ( 1.075 -0.117 3.808) 3.959 3.756 ( 1.544 2.295 -6.080) 6.680 4.177 ( 1.650 -2.960 4.584) 5.700 4.294 ( 2.237 -3.123 -6.160) 7.260 4.720 ( 2.310 7.690 11.854) 14.317 4.895 ( 4.716 -0.239 -4.014) 6.198 5.137 ( 0.195 -2.466 7.361) 7.766 5.382 ( 0.431 -1.426 -12.920) 13.006 5.511 ( -4.527 -6.138 4.940) 9.086 5.596 ( -3.146 -4.512 -2.631) 6.097 6.248 ( -0.083 5.632 1.396) 5.803 6.261 ( 0.304 6.656 0.325) 6.671 8.317 ( 0.451 -3.044 11.490) 11.894 8.551 ( 0.429 -1.642 -10.598) 10.733 ======================= Grid point 349 (113/125) ======================= q-point: (-0.11 0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.645 ( 0.000 7.334 15.901) 17.511 1.963 ( 0.000 6.264 -14.109) 15.437 2.054 ( -0.000 -7.608 19.573) 21.000 2.373 ( -0.000 -9.178 -8.825) 12.732 2.909 ( -0.000 -1.460 7.364) 7.508 2.915 ( 0.000 2.250 5.530) 5.970 3.048 ( 0.000 5.355 -5.873) 7.948 3.109 ( -0.000 -4.253 -9.888) 10.763 3.207 ( -0.000 -2.473 2.592) 3.582 3.300 ( -0.000 -1.726 -6.975) 7.185 3.639 ( 0.000 1.943 2.187) 2.925 3.718 ( 0.000 3.616 -4.838) 6.040 4.229 ( -0.000 -2.248 5.464) 5.908 4.354 ( -0.000 -2.610 -6.152) 6.683 4.602 ( 0.000 7.782 15.432) 17.283 4.901 ( 0.000 3.136 -11.956) 12.360 5.212 ( -0.000 -6.650 10.557) 12.477 5.468 ( -0.000 -7.281 -12.640) 14.587 5.569 ( -0.000 -5.128 5.234) 7.328 5.640 ( -0.000 -3.364 -1.334) 3.619 6.123 ( 0.000 9.292 1.933) 9.491 6.147 ( 0.000 8.010 -0.611) 8.033 8.371 ( -0.000 -3.144 10.373) 10.839 8.580 ( -0.000 -1.584 -9.402) 9.534 ======================= Grid point 352 (114/125) ======================= q-point: ( 0.22 0.22 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.051 ( 12.189 0.000 6.712) 13.915 2.162 ( 5.517 0.000 -0.283) 5.525 2.381 ( 6.758 0.000 9.123) 11.353 2.606 ( 2.625 0.000 -6.913) 7.394 2.954 ( 0.996 0.000 9.144) 9.198 3.018 ( 0.155 0.000 1.049) 1.060 3.111 ( 4.573 0.000 -3.291) 5.634 3.145 ( -0.269 -0.000 -2.829) 2.841 3.360 ( 1.044 0.000 0.599) 1.203 3.361 ( 4.021 0.000 0.539) 4.057 3.471 ( -3.362 -0.000 -3.528) 4.873 3.498 ( -2.011 -0.000 -6.235) 6.551 4.130 ( -5.710 -0.000 3.670) 6.787 4.135 ( -3.280 -0.000 1.950) 3.816 4.552 ( 1.556 0.000 3.689) 4.004 4.708 ( -2.114 -0.000 -8.797) 9.047 5.253 ( -1.321 -0.000 7.779) 7.890 5.380 ( -4.652 -0.000 -3.870) 6.051 5.563 ( -4.826 -0.000 4.088) 6.324 5.677 ( -2.141 -0.000 -6.129) 6.493 6.117 ( 3.740 0.000 2.741) 4.637 6.178 ( 3.617 0.000 -3.366) 4.941 8.376 ( -1.337 -0.000 9.653) 9.745 8.569 ( -0.973 -0.000 -8.534) 8.589 ======================= Grid point 353 (115/125) ======================= q-point: ( 0.33 0.22 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.189 ( 7.980 0.860 4.982) 9.447 2.214 ( 5.201 1.423 4.918) 7.298 2.428 ( 5.467 3.657 5.158) 8.358 2.598 ( 2.742 4.875 -6.052) 8.241 2.947 ( 0.216 2.113 7.168) 7.476 3.010 ( -2.731 -1.094 3.333) 4.445 3.092 ( -0.397 2.373 -2.044) 3.157 3.173 ( 0.602 0.270 -7.254) 7.283 3.375 ( -1.713 -2.400 3.024) 4.223 3.404 ( 2.551 1.613 1.929) 3.582 3.431 ( 3.687 1.985 -1.502) 4.449 3.523 ( -1.363 -3.941 -8.975) 9.896 4.050 ( -3.545 1.748 4.441) 5.945 4.123 ( -0.533 -0.671 -1.938) 2.119 4.586 ( 2.996 -0.892 3.535) 4.719 4.701 ( -0.322 -1.081 -6.057) 6.161 5.224 ( -0.499 1.657 6.591) 6.815 5.330 ( -3.687 -1.041 -3.842) 5.426 5.522 ( -5.278 -2.504 4.299) 7.253 5.648 ( -1.715 0.746 -6.675) 6.932 6.171 ( 1.719 -2.280 2.448) 3.761 6.225 ( 1.462 -1.882 -2.834) 3.703 8.348 ( -0.990 1.545 10.195) 10.359 8.552 ( -0.689 0.720 -9.048) 9.103 ======================= Grid point 354 (116/125) ======================= q-point: ( 0.44 0.22 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.174 ( 3.646 6.955 9.682) 12.466 2.268 ( 5.097 4.058 0.006) 6.515 2.399 ( 1.104 5.386 6.148) 8.248 2.542 ( 1.778 5.554 -5.597) 8.083 2.909 ( 0.152 2.441 4.931) 5.504 2.988 ( -3.015 -1.125 4.803) 5.782 3.052 ( -2.088 0.384 -5.141) 5.562 3.138 ( -1.651 2.447 -9.167) 9.630 3.364 ( -0.342 4.067 5.451) 6.810 3.409 ( -0.719 -3.665 6.288) 7.314 3.462 ( 2.990 1.458 -2.447) 4.129 3.594 ( 1.046 -5.177 -9.984) 11.295 4.002 ( -0.779 0.428 4.893) 4.973 4.137 ( 2.731 0.704 -7.041) 7.585 4.656 ( 4.943 -1.413 3.075) 5.991 4.729 ( 2.450 -0.573 -3.361) 4.198 5.204 ( -0.025 0.308 7.434) 7.441 5.319 ( -3.835 -3.081 -4.034) 6.362 5.492 ( -6.080 -2.490 3.352) 7.376 5.605 ( -1.892 1.840 -6.139) 6.683 6.227 ( 0.256 -3.197 2.480) 4.054 6.279 ( 0.905 -3.201 -2.379) 4.089 8.308 ( -0.525 2.160 11.118) 11.338 8.532 ( -0.280 0.966 -10.019) 10.070 ======================= Grid point 355 (117/125) ======================= q-point: (-0.44 0.22 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.095 ( 2.699 7.704 7.878) 11.345 2.195 ( 2.947 9.993 -0.813) 10.450 2.292 ( -3.238 6.794 9.221) 11.903 2.459 ( -1.852 5.174 -5.968) 8.112 2.880 ( 0.619 1.832 3.748) 4.218 2.990 ( -1.848 -3.333 3.683) 5.300 3.036 ( 0.193 0.747 -9.016) 9.049 3.087 ( -2.352 -0.476 -6.029) 6.489 3.272 ( -1.868 5.486 8.662) 10.422 3.427 ( 1.131 3.118 -4.188) 5.342 3.495 ( -0.095 -4.518 6.473) 7.894 3.689 ( 1.628 -4.177 -9.981) 10.941 4.018 ( 1.016 -1.949 4.651) 5.145 4.169 ( 3.529 0.297 -9.059) 9.726 4.749 ( 6.231 -0.869 1.364) 6.437 4.784 ( 5.758 -0.258 -1.656) 5.996 5.209 ( 0.133 -0.317 9.573) 9.579 5.313 ( -5.183 -3.163 -1.147) 6.179 5.445 ( -7.406 -2.780 0.351) 7.919 5.541 ( -2.374 2.835 -6.769) 7.714 6.278 ( 0.045 -2.935 3.390) 4.484 6.342 ( 1.208 -2.670 -2.509) 3.858 8.273 ( -0.115 1.526 12.029) 12.126 8.518 ( 0.081 0.579 -11.034) 11.050 ======================= Grid point 356 (118/125) ======================= q-point: (-0.33 0.22 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.003 ( 1.236 7.086 6.903) 9.970 2.098 ( 1.628 4.231 -0.596) 4.573 2.114 ( -3.939 9.120 11.647) 15.308 2.335 ( -2.714 6.591 -8.756) 11.290 2.868 ( 0.514 0.602 3.004) 3.106 3.016 ( 0.306 0.900 -9.585) 9.632 3.039 ( -0.747 -3.946 2.573) 4.770 3.104 ( -0.503 -2.062 -1.482) 2.589 3.161 ( -1.862 4.558 8.142) 9.515 3.367 ( 0.049 4.871 -8.928) 10.170 3.571 ( 0.407 -4.298 7.729) 8.853 3.758 ( 1.117 -2.302 -9.674) 10.007 4.075 ( 1.017 -3.259 4.661) 5.778 4.214 ( 2.102 -1.349 -8.247) 8.617 4.822 ( 4.083 -0.197 2.234) 4.658 4.882 ( 7.074 -0.369 -2.339) 7.460 5.189 ( 0.652 4.218 12.358) 13.074 5.301 ( -6.014 -5.773 3.668) 9.108 5.422 ( -5.135 -5.098 -3.962) 8.250 5.461 ( -2.246 3.223 -9.579) 10.353 6.313 ( 0.204 -1.084 3.803) 3.960 6.378 ( 0.889 0.124 -2.159) 2.338 8.262 ( 0.106 -0.108 12.513) 12.514 8.517 ( 0.204 -0.280 -11.613) 11.618 ======================= Grid point 357 (119/125) ======================= q-point: (-0.22 0.22 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.931 ( 0.000 9.990 13.864) 17.088 1.932 ( 0.000 2.061 11.366) 11.551 2.113 ( -0.000 -4.275 -4.513) 6.217 2.199 ( 0.000 7.872 -11.331) 13.797 2.872 ( -0.000 -0.538 3.139) 3.185 3.017 ( -0.000 -1.001 -9.731) 9.783 3.043 ( 0.000 5.321 10.377) 11.661 3.101 ( -0.000 -3.820 2.521) 4.577 3.157 ( -0.000 -1.426 -2.463) 2.846 3.292 ( 0.000 3.857 -11.486) 12.116 3.629 ( -0.000 -2.613 6.239) 6.764 3.785 ( 0.000 0.032 -8.280) 8.280 4.136 ( -0.000 -3.433 4.654) 5.784 4.261 ( -0.000 -2.726 -6.905) 7.424 4.838 ( 0.000 3.222 6.118) 6.915 4.924 ( 0.000 0.503 0.267) 0.570 5.133 ( 0.000 1.846 7.093) 7.329 5.366 ( -0.000 -7.320 7.106) 10.202 5.391 ( 0.000 2.568 -13.116) 13.364 5.486 ( -0.000 -6.069 -4.067) 7.306 6.308 ( 0.000 2.089 2.982) 3.641 6.352 ( 0.000 3.963 -1.001) 4.088 8.279 ( -0.000 -1.938 12.304) 12.455 8.531 ( -0.000 -1.171 -11.441) 11.501 ======================= Grid point 362 (120/125) ======================= q-point: ( 0.33 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.288 ( 4.824 0.000 5.698) 7.466 2.301 ( 7.778 0.000 2.054) 8.045 2.513 ( 2.660 0.000 5.870) 6.444 2.663 ( 1.391 0.000 -4.720) 4.920 2.945 ( -4.344 -0.000 4.598) 6.325 2.977 ( 0.510 0.000 5.687) 5.710 3.100 ( -4.807 -0.000 -0.063) 4.807 3.154 ( 0.190 0.000 -1.546) 1.558 3.360 ( 0.321 0.000 -2.779) 2.797 3.434 ( 1.278 0.000 -1.433) 1.920 3.471 ( -0.874 -0.000 -5.056) 5.131 3.503 ( 3.282 0.000 -1.483) 3.601 4.028 ( -2.310 -0.000 6.459) 6.860 4.138 ( 3.605 0.000 -3.758) 5.208 4.639 ( 6.196 0.000 0.682) 6.233 4.699 ( 1.972 0.000 -4.572) 4.979 5.223 ( -1.988 -0.000 2.893) 3.510 5.261 ( -5.166 -0.000 -1.926) 5.513 5.440 ( -4.156 -0.000 7.899) 8.926 5.642 ( -0.567 -0.000 -9.396) 9.413 6.165 ( 0.326 0.000 2.280) 2.304 6.214 ( -0.492 -0.000 -2.640) 2.686 8.350 ( -0.713 -0.000 10.112) 10.137 8.550 ( -0.477 -0.000 -8.817) 8.830 ======================= Grid point 363 (121/125) ======================= q-point: ( 0.44 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.315 ( 4.396 4.144 7.857) 9.911 2.381 ( 5.807 1.335 0.373) 5.970 2.488 ( -0.663 4.585 6.775) 8.208 2.633 ( -0.515 4.572 -4.288) 6.289 2.904 ( -2.682 -0.960 4.165) 5.046 2.973 ( -0.211 0.837 4.094) 4.184 3.015 ( -3.899 1.625 0.164) 4.227 3.160 ( -0.578 0.805 -6.058) 6.139 3.352 ( 0.471 -0.464 2.010) 2.116 3.420 ( -1.251 2.663 6.383) 7.029 3.514 ( 0.599 -2.482 -8.552) 8.925 3.526 ( 1.710 -1.626 -5.696) 6.166 4.001 ( -0.855 0.492 8.473) 8.530 4.188 ( 3.667 0.317 -8.412) 9.183 4.727 ( 7.644 0.109 0.700) 7.677 4.764 ( 6.139 -1.377 -2.290) 6.696 5.181 ( -4.108 -0.131 0.907) 4.209 5.211 ( -5.663 -2.407 -2.577) 6.671 5.405 ( -3.183 -0.670 9.981) 10.498 5.624 ( -0.335 1.785 -9.438) 9.612 6.180 ( -0.593 -2.120 2.226) 3.131 6.227 ( -0.694 -3.131 -2.374) 3.990 8.331 ( -0.386 1.397 10.574) 10.673 8.541 ( -0.217 0.563 -9.245) 9.264 ======================= Grid point 364 (122/125) ======================= q-point: ( 0.56 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.264 ( 3.207 8.347 9.688) 13.184 2.364 ( -2.374 6.447 8.414) 10.862 2.394 ( 4.538 7.729 -1.904) 9.163 2.511 ( -3.733 6.183 -4.172) 8.341 2.911 ( -0.116 -1.653 3.395) 3.777 2.934 ( -0.748 1.788 5.289) 5.633 2.997 ( -1.398 -2.764 -4.027) 5.081 3.110 ( -0.438 3.765 -10.417) 11.085 3.338 ( -0.909 4.799 8.904) 10.155 3.410 ( 0.299 -4.581 7.940) 9.172 3.496 ( 0.331 2.821 -5.453) 6.149 3.623 ( 0.641 -5.775 -11.589) 12.964 4.000 ( 0.088 -1.102 8.505) 8.577 4.212 ( 1.833 0.783 -11.016) 11.195 4.819 ( 5.582 -0.036 1.770) 5.856 4.874 ( 8.898 -0.174 -2.164) 9.159 5.129 ( -7.316 -2.764 2.012) 8.075 5.205 ( -3.345 -4.626 -3.901) 6.914 5.363 ( -2.911 1.379 10.468) 10.952 5.577 ( -0.474 3.348 -8.598) 9.240 6.220 ( -0.409 -3.712 3.411) 5.058 6.290 ( 0.146 -4.687 -3.057) 5.598 8.300 ( -0.122 1.947 11.397) 11.563 8.529 ( -0.016 0.729 -10.180) 10.206 ======================= Grid point 365 (123/125) ======================= q-point: (-0.33 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.143 ( 0.000 9.012 8.000) 12.050 2.226 ( 0.000 8.166 10.524) 13.321 2.251 ( 0.000 12.146 -0.990) 12.186 2.408 ( 0.000 4.755 -6.599) 8.134 2.891 ( 0.000 1.882 3.593) 4.056 2.968 ( -0.000 -4.076 3.052) 5.092 3.043 ( -0.000 -3.843 -3.874) 5.456 3.052 ( 0.000 3.005 -10.728) 11.141 3.243 ( 0.000 6.130 10.536) 12.190 3.440 ( 0.000 4.231 -7.526) 8.634 3.495 ( -0.000 -5.367 8.867) 10.365 3.710 ( -0.000 -4.528 -11.313) 12.185 4.033 ( -0.000 -2.671 6.914) 7.412 4.216 ( 0.000 0.016 -10.311) 10.311 4.851 ( 0.000 0.307 2.381) 2.400 4.944 ( 0.000 0.837 -5.690) 5.751 5.139 ( -0.000 -6.583 7.080) 9.667 5.280 ( -0.000 -6.632 -6.029) 8.962 5.287 ( 0.000 4.905 12.090) 13.047 5.513 ( 0.000 4.070 -8.885) 9.773 6.277 ( -0.000 -3.404 4.280) 5.468 6.358 ( -0.000 -3.231 -3.164) 4.522 8.272 ( 0.000 1.345 12.179) 12.253 8.520 ( 0.000 0.404 -11.140) 11.148 ======================= Grid point 372 (124/125) ======================= q-point: ( 0.44 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.407 ( 4.399 0.000 6.983) 8.253 2.453 ( 3.923 0.000 0.166) 3.927 2.503 ( -2.837 -0.000 7.772) 8.273 2.661 ( -1.259 -0.000 -3.769) 3.973 2.866 ( -1.422 -0.000 3.852) 4.106 2.948 ( -2.022 -0.000 -3.051) 3.660 3.024 ( -0.398 -0.000 9.843) 9.851 3.152 ( -0.111 -0.000 -1.992) 1.995 3.377 ( 0.547 0.000 -4.239) 4.274 3.425 ( -1.222 -0.000 7.156) 7.260 3.464 ( 0.446 0.000 -10.829) 10.838 3.543 ( 0.265 0.000 -3.668) 3.678 3.994 ( -0.699 -0.000 10.780) 10.803 4.229 ( 2.067 0.000 -10.557) 10.757 4.820 ( 6.399 0.000 1.579) 6.590 4.862 ( 10.165 0.000 -1.285) 10.246 5.101 ( -7.764 -0.000 -2.639) 8.200 5.118 ( -5.542 -0.000 -3.865) 6.757 5.380 ( -0.804 -0.000 13.539) 13.563 5.639 ( 0.080 0.000 -10.753) 10.754 6.156 ( -0.495 -0.000 1.464) 1.545 6.183 ( -1.119 -0.000 -1.516) 1.884 8.339 ( -0.184 -0.000 10.393) 10.394 8.544 ( -0.107 -0.000 -8.919) 8.920 ======================= Grid point 373 (125/125) ======================= q-point: (-0.44 -0.56 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.416 ( 0.000 5.907 11.945) 13.326 2.419 ( 0.000 3.839 5.100) 6.384 2.484 ( 0.000 0.263 -1.505) 1.527 2.597 ( 0.000 6.701 -3.451) 7.537 2.870 ( -0.000 -1.687 3.394) 3.790 2.949 ( -0.000 -1.757 -3.278) 3.719 2.986 ( 0.000 3.626 7.733) 8.541 3.153 ( 0.000 1.163 -6.159) 6.268 3.364 ( -0.000 -0.534 1.941) 2.013 3.394 ( 0.000 2.762 8.169) 8.623 3.532 ( -0.000 -5.942 -11.507) 12.950 3.533 ( 0.000 1.481 -4.579) 4.813 3.990 ( -0.000 -0.211 10.778) 10.780 4.236 ( 0.000 0.640 -11.751) 11.768 4.868 ( 0.000 0.498 3.772) 3.805 4.990 ( -0.000 -2.367 4.243) 4.859 4.993 ( 0.000 1.543 -7.362) 7.522 5.103 ( -0.000 -3.733 -6.378) 7.390 5.370 ( 0.000 0.789 13.583) 13.605 5.621 ( 0.000 2.249 -10.063) 10.311 6.167 ( -0.000 -2.153 2.301) 3.151 6.215 ( -0.000 -4.215 -2.264) 4.785 8.327 ( 0.000 1.349 10.726) 10.810 8.539 ( 0.000 0.490 -9.301) 9.314 =================== 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 3/17496 10.0 941.222 988.243 672.945 0.000 0.000 0.000 3/17496 20.0 179.698 157.245 140.082 0.000 0.000 0.000 3/17496 30.0 59.905 49.736 51.058 0.000 0.000 0.000 3/17496 40.0 29.204 24.587 27.353 0.000 0.000 0.000 3/17496 50.0 17.853 15.390 18.060 0.000 0.000 0.000 3/17496 60.0 12.526 11.020 13.450 0.000 0.000 0.000 3/17496 70.0 9.580 8.563 10.772 0.000 0.000 0.000 3/17496 80.0 7.753 7.011 9.036 0.000 0.000 0.000 3/17496 90.0 6.520 5.949 7.819 0.000 0.000 0.000 3/17496 100.0 5.635 5.177 6.916 0.000 0.000 0.000 3/17496 110.0 4.969 4.590 6.215 0.000 0.000 0.000 3/17496 120.0 4.450 4.128 5.654 0.000 0.000 0.000 3/17496 130.0 4.033 3.754 5.192 0.000 0.000 0.000 3/17496 140.0 3.691 3.445 4.805 0.000 0.000 0.000 3/17496 150.0 3.405 3.185 4.474 0.000 0.000 0.000 3/17496 160.0 3.161 2.963 4.188 0.000 0.000 0.000 3/17496 170.0 2.952 2.771 3.938 0.000 0.000 0.000 3/17496 180.0 2.769 2.603 3.717 0.000 0.000 0.000 3/17496 190.0 2.608 2.455 3.521 0.000 0.000 0.000 3/17496 200.0 2.466 2.324 3.344 0.000 0.000 0.000 3/17496 210.0 2.339 2.206 3.185 0.000 0.000 0.000 3/17496 220.0 2.224 2.100 3.040 0.000 0.000 0.000 3/17496 230.0 2.121 2.003 2.909 0.000 0.000 0.000 3/17496 240.0 2.027 1.916 2.788 0.000 0.000 0.000 3/17496 250.0 1.941 1.836 2.677 0.000 0.000 0.000 3/17496 260.0 1.863 1.762 2.575 0.000 0.000 0.000 3/17496 270.0 1.790 1.694 2.480 0.000 0.000 0.000 3/17496 280.0 1.723 1.632 2.392 0.000 0.000 0.000 3/17496 290.0 1.661 1.574 2.310 0.000 0.000 0.000 3/17496 300.0 1.604 1.520 2.234 0.000 0.000 0.000 3/17496 310.0 1.550 1.469 2.162 0.000 0.000 0.000 3/17496 320.0 1.500 1.422 2.095 0.000 0.000 0.000 3/17496 330.0 1.453 1.378 2.032 0.000 0.000 0.000 3/17496 340.0 1.409 1.336 1.973 0.000 0.000 0.000 3/17496 350.0 1.367 1.297 1.917 0.000 0.000 0.000 3/17496 360.0 1.328 1.261 1.864 0.000 0.000 0.000 3/17496 370.0 1.292 1.226 1.814 0.000 0.000 0.000 3/17496 380.0 1.257 1.193 1.767 0.000 0.000 0.000 3/17496 390.0 1.224 1.162 1.722 0.000 0.000 0.000 3/17496 400.0 1.193 1.132 1.679 0.000 0.000 0.000 3/17496 410.0 1.163 1.104 1.638 0.000 0.000 0.000 3/17496 420.0 1.135 1.078 1.599 0.000 0.000 0.000 3/17496 430.0 1.108 1.052 1.563 0.000 0.000 0.000 3/17496 440.0 1.082 1.028 1.527 0.000 0.000 0.000 3/17496 450.0 1.058 1.005 1.494 0.000 0.000 0.000 3/17496 460.0 1.034 0.983 1.461 0.000 0.000 0.000 3/17496 470.0 1.012 0.962 1.430 0.000 0.000 0.000 3/17496 480.0 0.990 0.941 1.401 0.000 0.000 0.000 3/17496 490.0 0.970 0.922 1.372 0.000 0.000 0.000 3/17496 500.0 0.950 0.903 1.345 0.000 0.000 0.000 3/17496 510.0 0.931 0.885 1.319 0.000 0.000 0.000 3/17496 520.0 0.913 0.868 1.294 0.000 0.000 0.000 3/17496 530.0 0.896 0.852 1.269 0.000 0.000 0.000 3/17496 540.0 0.879 0.836 1.246 0.000 0.000 0.000 3/17496 550.0 0.863 0.820 1.223 0.000 0.000 0.000 3/17496 560.0 0.847 0.806 1.202 0.000 0.000 0.000 3/17496 570.0 0.832 0.791 1.181 0.000 0.000 0.000 3/17496 580.0 0.818 0.778 1.161 0.000 0.000 0.000 3/17496 590.0 0.804 0.764 1.141 0.000 0.000 0.000 3/17496 600.0 0.790 0.752 1.122 0.000 0.000 0.000 3/17496 610.0 0.777 0.739 1.104 0.000 0.000 0.000 3/17496 620.0 0.765 0.727 1.086 0.000 0.000 0.000 3/17496 630.0 0.752 0.716 1.069 0.000 0.000 0.000 3/17496 640.0 0.740 0.704 1.052 0.000 0.000 0.000 3/17496 650.0 0.729 0.693 1.036 0.000 0.000 0.000 3/17496 660.0 0.718 0.683 1.020 0.000 0.000 0.000 3/17496 670.0 0.707 0.673 1.005 0.000 0.000 0.000 3/17496 680.0 0.697 0.663 0.991 0.000 0.000 0.000 3/17496 690.0 0.686 0.653 0.976 0.000 0.000 0.000 3/17496 700.0 0.677 0.644 0.962 0.000 0.000 0.000 3/17496 710.0 0.667 0.635 0.949 0.000 0.000 0.000 3/17496 720.0 0.658 0.626 0.936 0.000 0.000 0.000 3/17496 730.0 0.649 0.617 0.923 0.000 0.000 0.000 3/17496 740.0 0.640 0.609 0.911 0.000 0.000 0.000 3/17496 750.0 0.631 0.601 0.899 0.000 0.000 0.000 3/17496 760.0 0.623 0.593 0.887 0.000 0.000 0.000 3/17496 770.0 0.615 0.585 0.875 0.000 0.000 0.000 3/17496 780.0 0.607 0.577 0.864 0.000 0.000 0.000 3/17496 790.0 0.599 0.570 0.853 0.000 0.000 0.000 3/17496 800.0 0.591 0.563 0.843 0.000 0.000 0.000 3/17496 810.0 0.584 0.556 0.832 0.000 0.000 0.000 3/17496 820.0 0.577 0.549 0.822 0.000 0.000 0.000 3/17496 830.0 0.570 0.542 0.812 0.000 0.000 0.000 3/17496 840.0 0.563 0.536 0.803 0.000 0.000 0.000 3/17496 850.0 0.557 0.530 0.793 0.000 0.000 0.000 3/17496 860.0 0.550 0.523 0.784 0.000 0.000 0.000 3/17496 870.0 0.544 0.517 0.775 0.000 0.000 0.000 3/17496 880.0 0.537 0.512 0.766 0.000 0.000 0.000 3/17496 890.0 0.531 0.506 0.758 0.000 0.000 0.000 3/17496 900.0 0.525 0.500 0.749 0.000 0.000 0.000 3/17496 910.0 0.520 0.495 0.741 0.000 0.000 0.000 3/17496 920.0 0.514 0.489 0.733 0.000 0.000 0.000 3/17496 930.0 0.508 0.484 0.725 0.000 0.000 0.000 3/17496 940.0 0.503 0.479 0.717 0.000 0.000 0.000 3/17496 950.0 0.498 0.474 0.710 0.000 0.000 0.000 3/17496 960.0 0.493 0.469 0.703 0.000 0.000 0.000 3/17496 970.0 0.487 0.464 0.695 0.000 0.000 0.000 3/17496 980.0 0.482 0.459 0.688 0.000 0.000 0.000 3/17496 990.0 0.478 0.455 0.681 0.000 0.000 0.000 3/17496 1000.0 0.473 0.450 0.675 0.000 0.000 0.000 3/17496 Thermal conductivity related properties were written into "kappa-m999.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 01:39:10]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|