----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:56:03]------------------------- 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: C2/c (15) Number of symmetry operations in supercell: 64 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.380864517326235 -4.543802755000000 0.000000000000000 b 4.380864517326235 4.543802755000000 0.000000000000000 c -3.586306538204374 0.000000000000000 5.846073674797257 Atomic positions (fractional): *1 S 0.21964064070479 0.37132660076677 0.28070885773461 32.065 2 S 0.62867339923322 0.78035935929521 0.21929114226539 32.065 3 S 0.37132660076678 0.21964064070479 0.78070885773461 32.065 4 S 0.78035935929521 0.62867339923322 0.71929114226539 32.065 *5 K 0.85733277053748 0.14266722946252 0.75000000000000 39.098 6 K 0.14266722946252 0.85733277053748 0.25000000000000 39.098 *7 Sb 0.59272476829585 0.40727523170415 0.25000000000000 121.760 8 Sb 0.40727523170415 0.59272476829585 0.75000000000000 121.760 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.761729034652470 0.000000000000000 0.000000000000000 b 0.000000000000000 9.087605509999999 0.000000000000000 c -3.586306538204374 0.000000000000000 5.846073674797257 Atomic positions (fractional): *1 S 0.29548362073578 0.07584298003099 0.28070885773461 32.065 > 1 2 S 0.70451637926422 0.07584298003099 0.21929114226539 32.065 > 2 3 S 0.29548362073578 0.92415701996901 0.78070885773461 32.065 > 3 4 S 0.70451637926422 0.92415701996901 0.71929114226539 32.065 > 4 5 S 0.79548362073578 0.57584298003099 0.28070885773461 32.065 > 1 6 S 0.20451637926422 0.57584298003099 0.21929114226539 32.065 > 2 7 S 0.79548362073578 0.42415701996901 0.78070885773461 32.065 > 3 8 S 0.20451637926422 0.42415701996901 0.71929114226539 32.065 > 4 *9 K 0.50000000000000 0.64266722946252 0.75000000000000 39.098 > 5 10 K 0.50000000000000 0.35733277053748 0.25000000000000 39.098 > 6 11 K 0.00000000000000 0.14266722946252 0.75000000000000 39.098 > 5 12 K 0.00000000000000 0.85733277053748 0.25000000000000 39.098 > 6 *13 Sb 0.50000000000000 0.90727523170415 0.25000000000000 121.760 > 7 14 Sb 0.50000000000000 0.09272476829585 0.75000000000000 121.760 > 8 15 Sb 0.00000000000000 0.40727523170415 0.25000000000000 121.760 > 7 16 Sb 0.00000000000000 0.59272476829585 0.75000000000000 121.760 > 8 -------------------------------- super cell -------------------------------- Lattice vectors: a 17.523458069304940 0.000000000000000 0.000000000000000 b 0.000000000000000 18.175211019999999 0.000000000000000 c -7.172613076408748 0.000000000000000 11.692147349594514 Atomic positions (fractional): *1 S 0.14774181036789 0.03792149001550 0.14035442886730 32.065 > 1 2 S 0.64774181036789 0.03792149001550 0.14035442886730 32.065 > 1 3 S 0.14774181036789 0.53792149001550 0.14035442886730 32.065 > 1 4 S 0.64774181036789 0.53792149001550 0.14035442886730 32.065 > 1 5 S 0.14774181036789 0.03792149001550 0.64035442886730 32.065 > 1 6 S 0.64774181036789 0.03792149001550 0.64035442886730 32.065 > 1 7 S 0.14774181036789 0.53792149001550 0.64035442886730 32.065 > 1 8 S 0.64774181036789 0.53792149001550 0.64035442886730 32.065 > 1 9 S 0.35225818963211 0.03792149001550 0.10964557113270 32.065 > 2 10 S 0.85225818963211 0.03792149001550 0.10964557113270 32.065 > 2 11 S 0.35225818963211 0.53792149001550 0.10964557113270 32.065 > 2 12 S 0.85225818963211 0.53792149001550 0.10964557113270 32.065 > 2 13 S 0.35225818963211 0.03792149001550 0.60964557113270 32.065 > 2 14 S 0.85225818963211 0.03792149001550 0.60964557113270 32.065 > 2 15 S 0.35225818963211 0.53792149001550 0.60964557113270 32.065 > 2 16 S 0.85225818963211 0.53792149001550 0.60964557113270 32.065 > 2 17 S 0.14774181036789 0.46207850998450 0.39035442886730 32.065 > 3 18 S 0.64774181036789 0.46207850998450 0.39035442886730 32.065 > 3 19 S 0.14774181036789 0.96207850998450 0.39035442886730 32.065 > 3 20 S 0.64774181036789 0.96207850998450 0.39035442886730 32.065 > 3 21 S 0.14774181036789 0.46207850998450 0.89035442886730 32.065 > 3 22 S 0.64774181036789 0.46207850998450 0.89035442886730 32.065 > 3 23 S 0.14774181036789 0.96207850998450 0.89035442886730 32.065 > 3 24 S 0.64774181036789 0.96207850998450 0.89035442886730 32.065 > 3 25 S 0.35225818963211 0.46207850998450 0.35964557113270 32.065 > 4 26 S 0.85225818963211 0.46207850998450 0.35964557113270 32.065 > 4 27 S 0.35225818963211 0.96207850998450 0.35964557113270 32.065 > 4 28 S 0.85225818963211 0.96207850998450 0.35964557113270 32.065 > 4 29 S 0.35225818963211 0.46207850998450 0.85964557113270 32.065 > 4 30 S 0.85225818963211 0.46207850998450 0.85964557113270 32.065 > 4 31 S 0.35225818963211 0.96207850998450 0.85964557113270 32.065 > 4 32 S 0.85225818963211 0.96207850998450 0.85964557113270 32.065 > 4 33 S 0.39774181036789 0.28792149001550 0.14035442886730 32.065 > 1 34 S 0.89774181036789 0.28792149001550 0.14035442886730 32.065 > 1 35 S 0.39774181036789 0.78792149001550 0.14035442886730 32.065 > 1 36 S 0.89774181036789 0.78792149001550 0.14035442886730 32.065 > 1 37 S 0.39774181036789 0.28792149001550 0.64035442886730 32.065 > 1 38 S 0.89774181036789 0.28792149001550 0.64035442886730 32.065 > 1 39 S 0.39774181036789 0.78792149001550 0.64035442886730 32.065 > 1 40 S 0.89774181036789 0.78792149001550 0.64035442886730 32.065 > 1 41 S 0.10225818963211 0.28792149001550 0.10964557113270 32.065 > 2 42 S 0.60225818963211 0.28792149001550 0.10964557113270 32.065 > 2 43 S 0.10225818963211 0.78792149001550 0.10964557113270 32.065 > 2 44 S 0.60225818963211 0.78792149001550 0.10964557113270 32.065 > 2 45 S 0.10225818963211 0.28792149001550 0.60964557113270 32.065 > 2 46 S 0.60225818963211 0.28792149001550 0.60964557113270 32.065 > 2 47 S 0.10225818963211 0.78792149001550 0.60964557113270 32.065 > 2 48 S 0.60225818963211 0.78792149001550 0.60964557113270 32.065 > 2 49 S 0.39774181036789 0.21207850998450 0.39035442886730 32.065 > 3 50 S 0.89774181036789 0.21207850998450 0.39035442886730 32.065 > 3 51 S 0.39774181036789 0.71207850998450 0.39035442886730 32.065 > 3 52 S 0.89774181036789 0.71207850998450 0.39035442886730 32.065 > 3 53 S 0.39774181036789 0.21207850998450 0.89035442886730 32.065 > 3 54 S 0.89774181036789 0.21207850998450 0.89035442886730 32.065 > 3 55 S 0.39774181036789 0.71207850998450 0.89035442886730 32.065 > 3 56 S 0.89774181036789 0.71207850998450 0.89035442886730 32.065 > 3 57 S 0.10225818963211 0.21207850998450 0.35964557113270 32.065 > 4 58 S 0.60225818963211 0.21207850998450 0.35964557113270 32.065 > 4 59 S 0.10225818963211 0.71207850998450 0.35964557113270 32.065 > 4 60 S 0.60225818963211 0.71207850998450 0.35964557113270 32.065 > 4 61 S 0.10225818963211 0.21207850998450 0.85964557113270 32.065 > 4 62 S 0.60225818963211 0.21207850998450 0.85964557113270 32.065 > 4 63 S 0.10225818963211 0.71207850998450 0.85964557113270 32.065 > 4 64 S 0.60225818963211 0.71207850998450 0.85964557113270 32.065 > 4 *65 K 0.25000000000000 0.32133361473126 0.37500000000000 39.098 > 5 66 K 0.75000000000000 0.32133361473126 0.37500000000000 39.098 > 5 67 K 0.25000000000000 0.82133361473126 0.37500000000000 39.098 > 5 68 K 0.75000000000000 0.82133361473126 0.37500000000000 39.098 > 5 69 K 0.25000000000000 0.32133361473126 0.87500000000000 39.098 > 5 70 K 0.75000000000000 0.32133361473126 0.87500000000000 39.098 > 5 71 K 0.25000000000000 0.82133361473126 0.87500000000000 39.098 > 5 72 K 0.75000000000000 0.82133361473126 0.87500000000000 39.098 > 5 73 K 0.25000000000000 0.17866638526874 0.12500000000000 39.098 > 6 74 K 0.75000000000000 0.17866638526874 0.12500000000000 39.098 > 6 75 K 0.25000000000000 0.67866638526874 0.12500000000000 39.098 > 6 76 K 0.75000000000000 0.67866638526874 0.12500000000000 39.098 > 6 77 K 0.25000000000000 0.17866638526874 0.62500000000000 39.098 > 6 78 K 0.75000000000000 0.17866638526874 0.62500000000000 39.098 > 6 79 K 0.25000000000000 0.67866638526874 0.62500000000000 39.098 > 6 80 K 0.75000000000000 0.67866638526874 0.62500000000000 39.098 > 6 81 K 0.00000000000000 0.07133361473126 0.37500000000000 39.098 > 5 82 K 0.50000000000000 0.07133361473126 0.37500000000000 39.098 > 5 83 K 0.00000000000000 0.57133361473126 0.37500000000000 39.098 > 5 84 K 0.50000000000000 0.57133361473126 0.37500000000000 39.098 > 5 85 K 0.00000000000000 0.07133361473126 0.87500000000000 39.098 > 5 86 K 0.50000000000000 0.07133361473126 0.87500000000000 39.098 > 5 87 K 0.00000000000000 0.57133361473126 0.87500000000000 39.098 > 5 88 K 0.50000000000000 0.57133361473126 0.87500000000000 39.098 > 5 89 K 0.00000000000000 0.42866638526874 0.12500000000000 39.098 > 6 90 K 0.50000000000000 0.42866638526874 0.12500000000000 39.098 > 6 91 K 0.00000000000000 0.92866638526874 0.12500000000000 39.098 > 6 92 K 0.50000000000000 0.92866638526874 0.12500000000000 39.098 > 6 93 K 0.00000000000000 0.42866638526874 0.62500000000000 39.098 > 6 94 K 0.50000000000000 0.42866638526874 0.62500000000000 39.098 > 6 95 K 0.00000000000000 0.92866638526874 0.62500000000000 39.098 > 6 96 K 0.50000000000000 0.92866638526874 0.62500000000000 39.098 > 6 *97 Sb 0.25000000000000 0.45363761585208 0.12500000000000 121.760 > 7 98 Sb 0.75000000000000 0.45363761585208 0.12500000000000 121.760 > 7 99 Sb 0.25000000000000 0.95363761585207 0.12500000000000 121.760 > 7 100 Sb 0.75000000000000 0.95363761585207 0.12500000000000 121.760 > 7 101 Sb 0.25000000000000 0.45363761585208 0.62500000000000 121.760 > 7 102 Sb 0.75000000000000 0.45363761585208 0.62500000000000 121.760 > 7 103 Sb 0.25000000000000 0.95363761585207 0.62500000000000 121.760 > 7 104 Sb 0.75000000000000 0.95363761585207 0.62500000000000 121.760 > 7 105 Sb 0.25000000000000 0.04636238414792 0.37500000000000 121.760 > 8 106 Sb 0.75000000000000 0.04636238414792 0.37500000000000 121.760 > 8 107 Sb 0.25000000000000 0.54636238414793 0.37500000000000 121.760 > 8 108 Sb 0.75000000000000 0.54636238414793 0.37500000000000 121.760 > 8 109 Sb 0.25000000000000 0.04636238414792 0.87500000000000 121.760 > 8 110 Sb 0.75000000000000 0.04636238414792 0.87500000000000 121.760 > 8 111 Sb 0.25000000000000 0.54636238414793 0.87500000000000 121.760 > 8 112 Sb 0.75000000000000 0.54636238414793 0.87500000000000 121.760 > 8 113 Sb 0.00000000000000 0.20363761585207 0.12500000000000 121.760 > 7 114 Sb 0.50000000000000 0.20363761585207 0.12500000000000 121.760 > 7 115 Sb 0.00000000000000 0.70363761585207 0.12500000000000 121.760 > 7 116 Sb 0.50000000000000 0.70363761585207 0.12500000000000 121.760 > 7 117 Sb 0.00000000000000 0.20363761585207 0.62500000000000 121.760 > 7 118 Sb 0.50000000000000 0.20363761585207 0.62500000000000 121.760 > 7 119 Sb 0.00000000000000 0.70363761585207 0.62500000000000 121.760 > 7 120 Sb 0.50000000000000 0.70363761585207 0.62500000000000 121.760 > 7 121 Sb 0.00000000000000 0.29636238414792 0.37500000000000 121.760 > 8 122 Sb 0.50000000000000 0.29636238414792 0.37500000000000 121.760 > 8 123 Sb 0.00000000000000 0.79636238414793 0.37500000000000 121.760 > 8 124 Sb 0.50000000000000 0.79636238414793 0.37500000000000 121.760 > 8 125 Sb 0.00000000000000 0.29636238414792 0.87500000000000 121.760 > 8 126 Sb 0.50000000000000 0.29636238414792 0.87500000000000 121.760 > 8 127 Sb 0.00000000000000 0.79636238414793 0.87500000000000 121.760 > 8 128 Sb 0.50000000000000 0.79636238414793 0.87500000000000 121.760 > 8 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.5914797 0.0000000 -1.3965649 0.0000000 4.4543946 0.0000000 -1.3965649 0.0000000 7.2235674 -------------------------- Born effective charges -------------------------- 1 S -1.9421835 1.0681581 0.6648411 0.4619932 -1.2073221 0.0033075 0.7553081 -0.7831898 -2.9664458 2 S -1.9421835 -1.0681581 0.6648411 -0.4619932 -1.2073221 -0.0033075 0.7553081 0.7831898 -2.9664458 3 S -1.9421835 -1.0681581 0.6648411 -0.4619932 -1.2073221 -0.0033075 0.7553081 0.7831898 -2.9664458 4 S -1.9421835 1.0681581 0.6648411 0.4619932 -1.2073221 0.0033075 0.7553081 -0.7831898 -2.9664458 5 K 1.1914407 0.0000000 0.1846511 0.0000000 1.2604502 0.0000000 0.2110651 0.0000000 1.3045070 6 K 1.1914407 0.0000000 0.1846511 0.0000000 1.2604502 0.0000000 0.2110651 0.0000000 1.3045070 7 Sb 2.6929263 0.0000000 -1.5143333 0.0000000 1.1541940 0.0000000 -1.7216812 0.0000000 4.6283846 8 Sb 2.6929263 0.0000000 -1.5143333 0.0000000 1.1541940 0.0000000 -1.7216812 0.0000000 4.6283846 ---------------------------------------------------------------------------- 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: 1256 Number of blocks in projector: 1256 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: 272 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 240 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 240 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 168 Use standard eigh solver. Tree of FC basis block matrices: - (1256, 1238), data: False |-- (168, 165), data: True |-- (168, 165), data: True |-- (168, 165), data: True |-- (240, 238), data: True |-- (240, 238), data: True |-- (272, 267), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 240 - Time: 1.921 Solver_block: 200 / 240 - Time: 1.875 Solver_block: 240 / 240 - Time: 0.821 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.650 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) 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: 1256 Number of blocks in projector: 1256 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: 272 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 240 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 240 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 168 Use standard eigh solver. Tree of FC basis block matrices: - (1256, 1238), data: False |-- (168, 165), data: True |-- (168, 165), data: True |-- (168, 165), data: True |-- (240, 238), data: True |-- (240, 238), data: True |-- (272, 267), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 23:56:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:56:22]------------------------- 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: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.380864517326235 -4.543802755000000 0.000000000000000 b 4.380864517326235 4.543802755000000 0.000000000000000 c -3.586306538204374 0.000000000000000 5.846073674797257 Atomic positions (fractional): 1 S 0.21964064070479 0.37132660076677 0.28070885773461 32.065 2 S 0.62867339923322 0.78035935929521 0.21929114226539 32.065 3 S 0.37132660076678 0.21964064070479 0.78070885773461 32.065 4 S 0.78035935929521 0.62867339923322 0.71929114226539 32.065 5 K 0.85733277053748 0.14266722946252 0.75000000000000 39.098 6 K 0.14266722946252 0.85733277053748 0.25000000000000 39.098 7 Sb 0.59272476829585 0.40727523170415 0.25000000000000 121.760 8 Sb 0.40727523170415 0.59272476829585 0.75000000000000 121.760 -------------------------------- supercell --------------------------------- Lattice vectors: a 17.523458069304940 0.000000000000000 0.000000000000000 b 0.000000000000000 18.175211019999999 0.000000000000000 c -7.172613076408748 0.000000000000000 11.692147349594514 Atomic positions (fractional): 1 S 0.14774181036789 0.03792149001550 0.14035442886730 32.065 > 1 2 S 0.64774181036789 0.03792149001550 0.14035442886730 32.065 > 1 3 S 0.14774181036789 0.53792149001550 0.14035442886730 32.065 > 1 4 S 0.64774181036789 0.53792149001550 0.14035442886730 32.065 > 1 5 S 0.14774181036789 0.03792149001550 0.64035442886730 32.065 > 1 6 S 0.64774181036789 0.03792149001550 0.64035442886730 32.065 > 1 7 S 0.14774181036789 0.53792149001550 0.64035442886730 32.065 > 1 8 S 0.64774181036789 0.53792149001550 0.64035442886730 32.065 > 1 9 S 0.35225818963211 0.03792149001550 0.10964557113270 32.065 > 9 10 S 0.85225818963211 0.03792149001550 0.10964557113270 32.065 > 9 11 S 0.35225818963211 0.53792149001550 0.10964557113270 32.065 > 9 12 S 0.85225818963211 0.53792149001550 0.10964557113270 32.065 > 9 13 S 0.35225818963211 0.03792149001550 0.60964557113270 32.065 > 9 14 S 0.85225818963211 0.03792149001550 0.60964557113270 32.065 > 9 15 S 0.35225818963211 0.53792149001550 0.60964557113270 32.065 > 9 16 S 0.85225818963211 0.53792149001550 0.60964557113270 32.065 > 9 17 S 0.14774181036789 0.46207850998450 0.39035442886730 32.065 > 17 18 S 0.64774181036789 0.46207850998450 0.39035442886730 32.065 > 17 19 S 0.14774181036789 0.96207850998450 0.39035442886730 32.065 > 17 20 S 0.64774181036789 0.96207850998450 0.39035442886730 32.065 > 17 21 S 0.14774181036789 0.46207850998450 0.89035442886730 32.065 > 17 22 S 0.64774181036789 0.46207850998450 0.89035442886730 32.065 > 17 23 S 0.14774181036789 0.96207850998450 0.89035442886730 32.065 > 17 24 S 0.64774181036789 0.96207850998450 0.89035442886730 32.065 > 17 25 S 0.35225818963211 0.46207850998450 0.35964557113270 32.065 > 25 26 S 0.85225818963211 0.46207850998450 0.35964557113270 32.065 > 25 27 S 0.35225818963211 0.96207850998450 0.35964557113270 32.065 > 25 28 S 0.85225818963211 0.96207850998450 0.35964557113270 32.065 > 25 29 S 0.35225818963211 0.46207850998450 0.85964557113270 32.065 > 25 30 S 0.85225818963211 0.46207850998450 0.85964557113270 32.065 > 25 31 S 0.35225818963211 0.96207850998450 0.85964557113270 32.065 > 25 32 S 0.85225818963211 0.96207850998450 0.85964557113270 32.065 > 25 33 S 0.39774181036789 0.28792149001550 0.14035442886730 32.065 > 1 34 S 0.89774181036789 0.28792149001550 0.14035442886730 32.065 > 1 35 S 0.39774181036789 0.78792149001550 0.14035442886730 32.065 > 1 36 S 0.89774181036789 0.78792149001550 0.14035442886730 32.065 > 1 37 S 0.39774181036789 0.28792149001550 0.64035442886730 32.065 > 1 38 S 0.89774181036789 0.28792149001550 0.64035442886730 32.065 > 1 39 S 0.39774181036789 0.78792149001550 0.64035442886730 32.065 > 1 40 S 0.89774181036789 0.78792149001550 0.64035442886730 32.065 > 1 41 S 0.10225818963211 0.28792149001550 0.10964557113270 32.065 > 9 42 S 0.60225818963211 0.28792149001550 0.10964557113270 32.065 > 9 43 S 0.10225818963211 0.78792149001550 0.10964557113270 32.065 > 9 44 S 0.60225818963211 0.78792149001550 0.10964557113270 32.065 > 9 45 S 0.10225818963211 0.28792149001550 0.60964557113270 32.065 > 9 46 S 0.60225818963211 0.28792149001550 0.60964557113270 32.065 > 9 47 S 0.10225818963211 0.78792149001550 0.60964557113270 32.065 > 9 48 S 0.60225818963211 0.78792149001550 0.60964557113270 32.065 > 9 49 S 0.39774181036789 0.21207850998450 0.39035442886730 32.065 > 17 50 S 0.89774181036789 0.21207850998450 0.39035442886730 32.065 > 17 51 S 0.39774181036789 0.71207850998450 0.39035442886730 32.065 > 17 52 S 0.89774181036789 0.71207850998450 0.39035442886730 32.065 > 17 53 S 0.39774181036789 0.21207850998450 0.89035442886730 32.065 > 17 54 S 0.89774181036789 0.21207850998450 0.89035442886730 32.065 > 17 55 S 0.39774181036789 0.71207850998450 0.89035442886730 32.065 > 17 56 S 0.89774181036789 0.71207850998450 0.89035442886730 32.065 > 17 57 S 0.10225818963211 0.21207850998450 0.35964557113270 32.065 > 25 58 S 0.60225818963211 0.21207850998450 0.35964557113270 32.065 > 25 59 S 0.10225818963211 0.71207850998450 0.35964557113270 32.065 > 25 60 S 0.60225818963211 0.71207850998450 0.35964557113270 32.065 > 25 61 S 0.10225818963211 0.21207850998450 0.85964557113270 32.065 > 25 62 S 0.60225818963211 0.21207850998450 0.85964557113270 32.065 > 25 63 S 0.10225818963211 0.71207850998450 0.85964557113270 32.065 > 25 64 S 0.60225818963211 0.71207850998450 0.85964557113270 32.065 > 25 65 K 0.25000000000000 0.32133361473126 0.37500000000000 39.098 > 65 66 K 0.75000000000000 0.32133361473126 0.37500000000000 39.098 > 65 67 K 0.25000000000000 0.82133361473126 0.37500000000000 39.098 > 65 68 K 0.75000000000000 0.82133361473126 0.37500000000000 39.098 > 65 69 K 0.25000000000000 0.32133361473126 0.87500000000000 39.098 > 65 70 K 0.75000000000000 0.32133361473126 0.87500000000000 39.098 > 65 71 K 0.25000000000000 0.82133361473126 0.87500000000000 39.098 > 65 72 K 0.75000000000000 0.82133361473126 0.87500000000000 39.098 > 65 73 K 0.25000000000000 0.17866638526874 0.12500000000000 39.098 > 73 74 K 0.75000000000000 0.17866638526874 0.12500000000000 39.098 > 73 75 K 0.25000000000000 0.67866638526874 0.12500000000000 39.098 > 73 76 K 0.75000000000000 0.67866638526874 0.12500000000000 39.098 > 73 77 K 0.25000000000000 0.17866638526874 0.62500000000000 39.098 > 73 78 K 0.75000000000000 0.17866638526874 0.62500000000000 39.098 > 73 79 K 0.25000000000000 0.67866638526874 0.62500000000000 39.098 > 73 80 K 0.75000000000000 0.67866638526874 0.62500000000000 39.098 > 73 81 K 0.00000000000000 0.07133361473126 0.37500000000000 39.098 > 65 82 K 0.50000000000000 0.07133361473126 0.37500000000000 39.098 > 65 83 K 0.00000000000000 0.57133361473126 0.37500000000000 39.098 > 65 84 K 0.50000000000000 0.57133361473126 0.37500000000000 39.098 > 65 85 K 0.00000000000000 0.07133361473126 0.87500000000000 39.098 > 65 86 K 0.50000000000000 0.07133361473126 0.87500000000000 39.098 > 65 87 K 0.00000000000000 0.57133361473126 0.87500000000000 39.098 > 65 88 K 0.50000000000000 0.57133361473126 0.87500000000000 39.098 > 65 89 K 0.00000000000000 0.42866638526874 0.12500000000000 39.098 > 73 90 K 0.50000000000000 0.42866638526874 0.12500000000000 39.098 > 73 91 K 0.00000000000000 0.92866638526874 0.12500000000000 39.098 > 73 92 K 0.50000000000000 0.92866638526874 0.12500000000000 39.098 > 73 93 K 0.00000000000000 0.42866638526874 0.62500000000000 39.098 > 73 94 K 0.50000000000000 0.42866638526874 0.62500000000000 39.098 > 73 95 K 0.00000000000000 0.92866638526874 0.62500000000000 39.098 > 73 96 K 0.50000000000000 0.92866638526874 0.62500000000000 39.098 > 73 97 Sb 0.25000000000000 0.45363761585208 0.12500000000000 121.760 > 97 98 Sb 0.75000000000000 0.45363761585208 0.12500000000000 121.760 > 97 99 Sb 0.25000000000000 0.95363761585207 0.12500000000000 121.760 > 97 100 Sb 0.75000000000000 0.95363761585207 0.12500000000000 121.760 > 97 101 Sb 0.25000000000000 0.45363761585208 0.62500000000000 121.760 > 97 102 Sb 0.75000000000000 0.45363761585208 0.62500000000000 121.760 > 97 103 Sb 0.25000000000000 0.95363761585207 0.62500000000000 121.760 > 97 104 Sb 0.75000000000000 0.95363761585207 0.62500000000000 121.760 > 97 105 Sb 0.25000000000000 0.04636238414792 0.37500000000000 121.760 > 105 106 Sb 0.75000000000000 0.04636238414792 0.37500000000000 121.760 > 105 107 Sb 0.25000000000000 0.54636238414793 0.37500000000000 121.760 > 105 108 Sb 0.75000000000000 0.54636238414793 0.37500000000000 121.760 > 105 109 Sb 0.25000000000000 0.04636238414792 0.87500000000000 121.760 > 105 110 Sb 0.75000000000000 0.04636238414792 0.87500000000000 121.760 > 105 111 Sb 0.25000000000000 0.54636238414793 0.87500000000000 121.760 > 105 112 Sb 0.75000000000000 0.54636238414793 0.87500000000000 121.760 > 105 113 Sb 0.00000000000000 0.20363761585207 0.12500000000000 121.760 > 97 114 Sb 0.50000000000000 0.20363761585207 0.12500000000000 121.760 > 97 115 Sb 0.00000000000000 0.70363761585207 0.12500000000000 121.760 > 97 116 Sb 0.50000000000000 0.70363761585207 0.12500000000000 121.760 > 97 117 Sb 0.00000000000000 0.20363761585207 0.62500000000000 121.760 > 97 118 Sb 0.50000000000000 0.20363761585207 0.62500000000000 121.760 > 97 119 Sb 0.00000000000000 0.70363761585207 0.62500000000000 121.760 > 97 120 Sb 0.50000000000000 0.70363761585207 0.62500000000000 121.760 > 97 121 Sb 0.00000000000000 0.29636238414792 0.37500000000000 121.760 > 105 122 Sb 0.50000000000000 0.29636238414792 0.37500000000000 121.760 > 105 123 Sb 0.00000000000000 0.79636238414793 0.37500000000000 121.760 > 105 124 Sb 0.50000000000000 0.79636238414793 0.37500000000000 121.760 > 105 125 Sb 0.00000000000000 0.29636238414792 0.87500000000000 121.760 > 105 126 Sb 0.50000000000000 0.29636238414792 0.87500000000000 121.760 > 105 127 Sb 0.00000000000000 0.79636238414793 0.87500000000000 121.760 > 105 128 Sb 0.50000000000000 0.79636238414793 0.87500000000000 121.760 > 105 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.5914797 0.0000000 -1.3965649 0.0000000 4.4543946 0.0000000 -1.3965649 0.0000000 7.2235674 -------------------------- Born effective charges -------------------------- 1 S -1.9421835 1.0681581 0.6648411 0.4619932 -1.2073221 0.0033075 0.7553081 -0.7831898 -2.9664458 2 S -1.9421835 -1.0681581 0.6648411 -0.4619932 -1.2073221 -0.0033075 0.7553081 0.7831898 -2.9664458 3 S -1.9421835 -1.0681581 0.6648411 -0.4619932 -1.2073221 -0.0033075 0.7553081 0.7831898 -2.9664458 4 S -1.9421835 1.0681581 0.6648411 0.4619932 -1.2073221 0.0033075 0.7553081 -0.7831898 -2.9664458 5 K 1.1914407 0.0000000 0.1846511 0.0000000 1.2604502 0.0000000 0.2110651 0.0000000 1.3045070 6 K 1.1914407 0.0000000 0.1846511 0.0000000 1.2604502 0.0000000 0.2110651 0.0000000 1.3045070 7 Sb 2.6929263 0.0000000 -1.5143333 0.0000000 1.1541940 0.0000000 -1.7216812 0.0000000 4.6283846 8 Sb 2.6929263 0.0000000 -1.5143333 0.0000000 1.1541940 0.0000000 -1.7216812 0.0000000 4.6283846 ---------------------------------------------------------------------------- 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] [-0.0052 0.0000 0.0085] [ 0.0052 0.0000 -0.0085] 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] [-0.0052 0.0000 0.0085] [ 0.0052 0.0000 -0.0085] 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] [-0.0052 0.0000 0.0085] [ 0.0052 0.0000 -0.0085] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000009 (yyy) -0.00000009 (yyy) -0.00000009 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000003 (yz) 0.00000003 (yz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:56:37]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:56:38]------------------------- 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: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.380864517326235 -4.543802755000000 0.000000000000000 b 4.380864517326235 4.543802755000000 0.000000000000000 c -3.586306538204374 0.000000000000000 5.846073674797257 Atomic positions (fractional): 1 S 0.21964064070479 0.37132660076677 0.28070885773461 32.065 2 S 0.62867339923322 0.78035935929521 0.21929114226539 32.065 3 S 0.37132660076678 0.21964064070479 0.78070885773461 32.065 4 S 0.78035935929521 0.62867339923322 0.71929114226539 32.065 5 K 0.85733277053748 0.14266722946252 0.75000000000000 39.098 6 K 0.14266722946252 0.85733277053748 0.25000000000000 39.098 7 Sb 0.59272476829585 0.40727523170415 0.25000000000000 121.760 8 Sb 0.40727523170415 0.59272476829585 0.75000000000000 121.760 -------------------------------- supercell --------------------------------- Lattice vectors: a 17.523458069304940 0.000000000000000 0.000000000000000 b 0.000000000000000 18.175211019999999 0.000000000000000 c -7.172613076408748 0.000000000000000 11.692147349594514 Atomic positions (fractional): 1 S 0.14774181036789 0.03792149001550 0.14035442886730 32.065 > 1 2 S 0.64774181036789 0.03792149001550 0.14035442886730 32.065 > 1 3 S 0.14774181036789 0.53792149001550 0.14035442886730 32.065 > 1 4 S 0.64774181036789 0.53792149001550 0.14035442886730 32.065 > 1 5 S 0.14774181036789 0.03792149001550 0.64035442886730 32.065 > 1 6 S 0.64774181036789 0.03792149001550 0.64035442886730 32.065 > 1 7 S 0.14774181036789 0.53792149001550 0.64035442886730 32.065 > 1 8 S 0.64774181036789 0.53792149001550 0.64035442886730 32.065 > 1 9 S 0.35225818963211 0.03792149001550 0.10964557113270 32.065 > 9 10 S 0.85225818963211 0.03792149001550 0.10964557113270 32.065 > 9 11 S 0.35225818963211 0.53792149001550 0.10964557113270 32.065 > 9 12 S 0.85225818963211 0.53792149001550 0.10964557113270 32.065 > 9 13 S 0.35225818963211 0.03792149001550 0.60964557113270 32.065 > 9 14 S 0.85225818963211 0.03792149001550 0.60964557113270 32.065 > 9 15 S 0.35225818963211 0.53792149001550 0.60964557113270 32.065 > 9 16 S 0.85225818963211 0.53792149001550 0.60964557113270 32.065 > 9 17 S 0.14774181036789 0.46207850998450 0.39035442886730 32.065 > 17 18 S 0.64774181036789 0.46207850998450 0.39035442886730 32.065 > 17 19 S 0.14774181036789 0.96207850998450 0.39035442886730 32.065 > 17 20 S 0.64774181036789 0.96207850998450 0.39035442886730 32.065 > 17 21 S 0.14774181036789 0.46207850998450 0.89035442886730 32.065 > 17 22 S 0.64774181036789 0.46207850998450 0.89035442886730 32.065 > 17 23 S 0.14774181036789 0.96207850998450 0.89035442886730 32.065 > 17 24 S 0.64774181036789 0.96207850998450 0.89035442886730 32.065 > 17 25 S 0.35225818963211 0.46207850998450 0.35964557113270 32.065 > 25 26 S 0.85225818963211 0.46207850998450 0.35964557113270 32.065 > 25 27 S 0.35225818963211 0.96207850998450 0.35964557113270 32.065 > 25 28 S 0.85225818963211 0.96207850998450 0.35964557113270 32.065 > 25 29 S 0.35225818963211 0.46207850998450 0.85964557113270 32.065 > 25 30 S 0.85225818963211 0.46207850998450 0.85964557113270 32.065 > 25 31 S 0.35225818963211 0.96207850998450 0.85964557113270 32.065 > 25 32 S 0.85225818963211 0.96207850998450 0.85964557113270 32.065 > 25 33 S 0.39774181036789 0.28792149001550 0.14035442886730 32.065 > 1 34 S 0.89774181036789 0.28792149001550 0.14035442886730 32.065 > 1 35 S 0.39774181036789 0.78792149001550 0.14035442886730 32.065 > 1 36 S 0.89774181036789 0.78792149001550 0.14035442886730 32.065 > 1 37 S 0.39774181036789 0.28792149001550 0.64035442886730 32.065 > 1 38 S 0.89774181036789 0.28792149001550 0.64035442886730 32.065 > 1 39 S 0.39774181036789 0.78792149001550 0.64035442886730 32.065 > 1 40 S 0.89774181036789 0.78792149001550 0.64035442886730 32.065 > 1 41 S 0.10225818963211 0.28792149001550 0.10964557113270 32.065 > 9 42 S 0.60225818963211 0.28792149001550 0.10964557113270 32.065 > 9 43 S 0.10225818963211 0.78792149001550 0.10964557113270 32.065 > 9 44 S 0.60225818963211 0.78792149001550 0.10964557113270 32.065 > 9 45 S 0.10225818963211 0.28792149001550 0.60964557113270 32.065 > 9 46 S 0.60225818963211 0.28792149001550 0.60964557113270 32.065 > 9 47 S 0.10225818963211 0.78792149001550 0.60964557113270 32.065 > 9 48 S 0.60225818963211 0.78792149001550 0.60964557113270 32.065 > 9 49 S 0.39774181036789 0.21207850998450 0.39035442886730 32.065 > 17 50 S 0.89774181036789 0.21207850998450 0.39035442886730 32.065 > 17 51 S 0.39774181036789 0.71207850998450 0.39035442886730 32.065 > 17 52 S 0.89774181036789 0.71207850998450 0.39035442886730 32.065 > 17 53 S 0.39774181036789 0.21207850998450 0.89035442886730 32.065 > 17 54 S 0.89774181036789 0.21207850998450 0.89035442886730 32.065 > 17 55 S 0.39774181036789 0.71207850998450 0.89035442886730 32.065 > 17 56 S 0.89774181036789 0.71207850998450 0.89035442886730 32.065 > 17 57 S 0.10225818963211 0.21207850998450 0.35964557113270 32.065 > 25 58 S 0.60225818963211 0.21207850998450 0.35964557113270 32.065 > 25 59 S 0.10225818963211 0.71207850998450 0.35964557113270 32.065 > 25 60 S 0.60225818963211 0.71207850998450 0.35964557113270 32.065 > 25 61 S 0.10225818963211 0.21207850998450 0.85964557113270 32.065 > 25 62 S 0.60225818963211 0.21207850998450 0.85964557113270 32.065 > 25 63 S 0.10225818963211 0.71207850998450 0.85964557113270 32.065 > 25 64 S 0.60225818963211 0.71207850998450 0.85964557113270 32.065 > 25 65 K 0.25000000000000 0.32133361473126 0.37500000000000 39.098 > 65 66 K 0.75000000000000 0.32133361473126 0.37500000000000 39.098 > 65 67 K 0.25000000000000 0.82133361473126 0.37500000000000 39.098 > 65 68 K 0.75000000000000 0.82133361473126 0.37500000000000 39.098 > 65 69 K 0.25000000000000 0.32133361473126 0.87500000000000 39.098 > 65 70 K 0.75000000000000 0.32133361473126 0.87500000000000 39.098 > 65 71 K 0.25000000000000 0.82133361473126 0.87500000000000 39.098 > 65 72 K 0.75000000000000 0.82133361473126 0.87500000000000 39.098 > 65 73 K 0.25000000000000 0.17866638526874 0.12500000000000 39.098 > 73 74 K 0.75000000000000 0.17866638526874 0.12500000000000 39.098 > 73 75 K 0.25000000000000 0.67866638526874 0.12500000000000 39.098 > 73 76 K 0.75000000000000 0.67866638526874 0.12500000000000 39.098 > 73 77 K 0.25000000000000 0.17866638526874 0.62500000000000 39.098 > 73 78 K 0.75000000000000 0.17866638526874 0.62500000000000 39.098 > 73 79 K 0.25000000000000 0.67866638526874 0.62500000000000 39.098 > 73 80 K 0.75000000000000 0.67866638526874 0.62500000000000 39.098 > 73 81 K 0.00000000000000 0.07133361473126 0.37500000000000 39.098 > 65 82 K 0.50000000000000 0.07133361473126 0.37500000000000 39.098 > 65 83 K 0.00000000000000 0.57133361473126 0.37500000000000 39.098 > 65 84 K 0.50000000000000 0.57133361473126 0.37500000000000 39.098 > 65 85 K 0.00000000000000 0.07133361473126 0.87500000000000 39.098 > 65 86 K 0.50000000000000 0.07133361473126 0.87500000000000 39.098 > 65 87 K 0.00000000000000 0.57133361473126 0.87500000000000 39.098 > 65 88 K 0.50000000000000 0.57133361473126 0.87500000000000 39.098 > 65 89 K 0.00000000000000 0.42866638526874 0.12500000000000 39.098 > 73 90 K 0.50000000000000 0.42866638526874 0.12500000000000 39.098 > 73 91 K 0.00000000000000 0.92866638526874 0.12500000000000 39.098 > 73 92 K 0.50000000000000 0.92866638526874 0.12500000000000 39.098 > 73 93 K 0.00000000000000 0.42866638526874 0.62500000000000 39.098 > 73 94 K 0.50000000000000 0.42866638526874 0.62500000000000 39.098 > 73 95 K 0.00000000000000 0.92866638526874 0.62500000000000 39.098 > 73 96 K 0.50000000000000 0.92866638526874 0.62500000000000 39.098 > 73 97 Sb 0.25000000000000 0.45363761585208 0.12500000000000 121.760 > 97 98 Sb 0.75000000000000 0.45363761585208 0.12500000000000 121.760 > 97 99 Sb 0.25000000000000 0.95363761585207 0.12500000000000 121.760 > 97 100 Sb 0.75000000000000 0.95363761585207 0.12500000000000 121.760 > 97 101 Sb 0.25000000000000 0.45363761585208 0.62500000000000 121.760 > 97 102 Sb 0.75000000000000 0.45363761585208 0.62500000000000 121.760 > 97 103 Sb 0.25000000000000 0.95363761585207 0.62500000000000 121.760 > 97 104 Sb 0.75000000000000 0.95363761585207 0.62500000000000 121.760 > 97 105 Sb 0.25000000000000 0.04636238414792 0.37500000000000 121.760 > 105 106 Sb 0.75000000000000 0.04636238414792 0.37500000000000 121.760 > 105 107 Sb 0.25000000000000 0.54636238414793 0.37500000000000 121.760 > 105 108 Sb 0.75000000000000 0.54636238414793 0.37500000000000 121.760 > 105 109 Sb 0.25000000000000 0.04636238414792 0.87500000000000 121.760 > 105 110 Sb 0.75000000000000 0.04636238414792 0.87500000000000 121.760 > 105 111 Sb 0.25000000000000 0.54636238414793 0.87500000000000 121.760 > 105 112 Sb 0.75000000000000 0.54636238414793 0.87500000000000 121.760 > 105 113 Sb 0.00000000000000 0.20363761585207 0.12500000000000 121.760 > 97 114 Sb 0.50000000000000 0.20363761585207 0.12500000000000 121.760 > 97 115 Sb 0.00000000000000 0.70363761585207 0.12500000000000 121.760 > 97 116 Sb 0.50000000000000 0.70363761585207 0.12500000000000 121.760 > 97 117 Sb 0.00000000000000 0.20363761585207 0.62500000000000 121.760 > 97 118 Sb 0.50000000000000 0.20363761585207 0.62500000000000 121.760 > 97 119 Sb 0.00000000000000 0.70363761585207 0.62500000000000 121.760 > 97 120 Sb 0.50000000000000 0.70363761585207 0.62500000000000 121.760 > 97 121 Sb 0.00000000000000 0.29636238414792 0.37500000000000 121.760 > 105 122 Sb 0.50000000000000 0.29636238414792 0.37500000000000 121.760 > 105 123 Sb 0.00000000000000 0.79636238414793 0.37500000000000 121.760 > 105 124 Sb 0.50000000000000 0.79636238414793 0.37500000000000 121.760 > 105 125 Sb 0.00000000000000 0.29636238414792 0.87500000000000 121.760 > 105 126 Sb 0.50000000000000 0.29636238414792 0.87500000000000 121.760 > 105 127 Sb 0.00000000000000 0.79636238414793 0.87500000000000 121.760 > 105 128 Sb 0.50000000000000 0.79636238414793 0.87500000000000 121.760 > 105 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.5914797 0.0000000 -1.3965649 0.0000000 4.4543946 0.0000000 -1.3965649 0.0000000 7.2235674 -------------------------- Born effective charges -------------------------- 1 S -1.9421835 1.0681581 0.6648411 0.4619932 -1.2073221 0.0033075 0.7553081 -0.7831898 -2.9664458 2 S -1.9421835 -1.0681581 0.6648411 -0.4619932 -1.2073221 -0.0033075 0.7553081 0.7831898 -2.9664458 3 S -1.9421835 -1.0681581 0.6648411 -0.4619932 -1.2073221 -0.0033075 0.7553081 0.7831898 -2.9664458 4 S -1.9421835 1.0681581 0.6648411 0.4619932 -1.2073221 0.0033075 0.7553081 -0.7831898 -2.9664458 5 K 1.1914407 0.0000000 0.1846511 0.0000000 1.2604502 0.0000000 0.2110651 0.0000000 1.3045070 6 K 1.1914407 0.0000000 0.1846511 0.0000000 1.2604502 0.0000000 0.2110651 0.0000000 1.3045070 7 Sb 2.6929263 0.0000000 -1.5143333 0.0000000 1.1541940 0.0000000 -1.7216812 0.0000000 4.6283846 8 Sb 2.6929263 0.0000000 -1.5143333 0.0000000 1.1541940 0.0000000 -1.7216812 0.0000000 4.6283846 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000009 (yyy) -0.00000009 (yyy) -0.00000009 (yyy) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 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: 0.68, Number of G-points: 287, Lambda: 0.17 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/205) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.599 ( 0.000 0.000 0.000) 0.000 1.731 ( 0.000 0.000 0.000) 0.000 1.881 ( 0.000 0.000 0.000) 0.000 2.157 ( 0.000 0.000 0.000) 0.000 3.098 ( 0.000 0.000 0.000) 0.000 3.126 ( 0.000 0.000 0.000) 0.000 3.127 ( 0.000 0.000 0.000) 0.000 3.141 ( 0.000 0.000 0.000) 0.000 3.505 ( 0.000 0.000 0.000) 0.000 4.112 ( 0.000 0.000 0.000) 0.000 5.017 ( 0.000 0.000 0.000) 0.000 5.061 ( 0.000 0.000 0.000) 0.000 5.491 ( 0.000 0.000 0.000) 0.000 6.018 ( 0.000 0.000 0.000) 0.000 6.023 ( 0.000 0.000 0.000) 0.000 6.250 ( 0.000 0.000 0.000) 0.000 6.698 ( 0.000 0.000 0.000) 0.000 8.732 ( 0.000 0.000 0.000) 0.000 8.767 ( 0.000 0.000 0.000) 0.000 9.613 ( 0.000 0.000 0.000) 0.000 9.782 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/205) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.182 ( 8.614 -3.663 6.519) 11.407 0.382 ( 9.036 -6.053 21.562) 24.150 0.570 ( 16.509 -12.202 19.822) 28.537 1.603 ( 1.111 -0.192 -1.458) 1.843 1.814 ( 3.806 3.222 4.004) 6.395 1.962 ( 5.643 -4.839 -0.850) 7.482 2.216 ( 5.384 -6.812 0.361) 8.691 3.032 ( -3.814 3.187 -2.744) 5.678 3.101 ( -3.871 -1.502 -0.191) 4.156 3.187 ( 2.179 -0.274 2.351) 3.218 3.392 ( 7.960 -8.474 -8.669) 14.503 3.512 ( 3.042 -1.372 -5.070) 6.070 4.211 ( -32.621 3.623 60.619) 68.934 4.975 ( -3.612 2.155 -1.038) 4.332 5.225 ( -11.178 12.416 35.225) 38.986 5.474 ( 0.321 2.251 -1.147) 2.546 6.008 ( 4.815 0.326 -10.459) 11.519 6.081 ( -10.062 -3.943 9.266) 14.235 6.316 ( -6.829 -5.987 4.000) 9.924 6.698 ( -0.295 0.352 1.207) 1.291 8.789 ( 2.237 -1.556 -1.034) 2.915 9.135 ( 37.602 26.812 -17.645) 49.439 9.630 ( 1.571 -1.747 -0.850) 2.499 10.040 ( -3.156 -13.949 -13.882) 19.931 ======================= Grid point 2 (3/205) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.413 ( 9.608 -5.967 7.306) 13.465 0.678 ( 3.963 -4.459 14.284) 15.480 0.992 ( 9.343 -4.632 20.470) 22.974 1.599 ( 0.734 0.791 -2.262) 2.506 1.824 ( 3.129 3.788 -2.719) 5.616 2.126 ( 9.446 -8.135 -0.094) 12.467 2.477 ( 12.480 -12.316 1.865) 17.632 2.923 ( -3.992 1.705 -4.102) 5.973 3.081 ( -2.585 -1.247 1.755) 3.364 3.231 ( 0.836 -1.470 1.979) 2.603 3.499 ( 0.616 -3.512 -2.159) 4.168 3.597 ( 9.860 -9.136 -5.327) 14.459 4.233 ( -7.895 0.598 17.916) 19.588 4.860 ( -7.238 4.496 -0.735) 8.552 5.178 ( -10.906 7.551 19.592) 23.660 5.433 ( 1.270 3.748 -2.159) 4.508 5.983 ( 5.619 0.436 -11.538) 12.841 6.059 ( -8.455 -1.039 7.556) 11.387 6.343 ( -2.475 -2.269 4.904) 5.943 6.705 ( -0.052 0.243 2.138) 2.152 8.836 ( 2.935 -1.967 -1.450) 3.819 9.139 ( 14.598 11.760 -6.396) 19.806 9.681 ( 3.121 -2.948 -1.241) 4.469 10.065 ( -0.478 -6.138 -5.832) 8.480 ======================= Grid point 3 (4/205) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.668 ( 8.943 -6.671 6.590) 12.958 0.799 ( -2.321 -0.913 7.162) 7.584 1.265 ( 6.217 -1.882 15.158) 16.491 1.557 ( -1.108 3.233 -1.832) 3.878 1.789 ( 2.062 2.565 -3.095) 4.518 2.358 ( 9.801 -8.400 -0.956) 12.944 2.753 ( 6.198 -5.661 3.894) 9.254 2.824 ( -3.694 1.493 -4.304) 5.865 3.104 ( 1.210 -0.350 3.197) 3.436 3.314 ( 5.280 -8.156 -1.399) 9.816 3.517 ( 1.204 -2.252 -3.952) 4.705 3.834 ( 6.329 -12.123 3.339) 14.078 4.279 ( 4.952 -0.963 -1.868) 5.380 4.665 ( -11.028 7.992 0.374) 13.625 5.071 ( -11.853 6.733 13.419) 19.128 5.388 ( 1.537 3.431 -2.434) 4.479 5.962 ( 4.589 0.371 -9.099) 10.198 6.016 ( -6.639 0.238 5.464) 8.602 6.378 ( -1.003 -1.085 4.163) 4.418 6.724 ( 0.389 -0.132 2.217) 2.255 8.881 ( 2.194 -1.494 -1.189) 2.909 9.117 ( 5.477 6.568 -2.567) 8.929 9.751 ( 3.156 -2.773 -0.924) 4.302 10.082 ( -0.136 -2.725 -2.919) 3.996 ======================= Grid point 4 (5/205) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.799 ( -2.173 0.205 2.208) 3.105 0.868 ( 4.529 -3.495 3.158) 6.535 1.424 ( 2.463 -2.618 3.406) 4.951 1.482 ( -1.387 4.258 1.001) 4.589 1.770 ( 0.841 0.893 -1.379) 1.845 2.545 ( 6.153 -5.492 0.383) 8.256 2.718 ( -4.071 2.779 -2.938) 5.739 2.833 ( 0.210 -0.476 1.394) 1.488 3.134 ( 0.199 0.721 2.323) 2.440 3.511 ( 5.839 -2.635 0.766) 6.452 3.532 ( 1.699 -5.619 -3.643) 6.909 4.077 ( 3.871 -10.871 6.548) 13.269 4.303 ( 1.314 5.221 -8.954) 10.448 4.450 ( -4.088 3.668 0.511) 5.516 4.949 ( -7.254 4.044 6.540) 10.571 5.357 ( 0.640 1.344 -1.136) 1.872 5.950 ( 2.089 0.166 -3.967) 4.486 5.981 ( -2.938 0.263 2.556) 3.903 6.403 ( -0.267 -0.343 1.598) 1.656 6.745 ( 0.269 -0.148 0.968) 1.015 8.907 ( 0.809 -0.617 -0.467) 1.120 9.089 ( 1.259 2.374 -0.694) 2.775 9.802 ( 1.318 -1.132 -0.302) 1.764 10.085 ( -0.116 -0.714 -0.955) 1.198 ======================= Grid point 10 (6/205) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.468 ( 16.033 0.000 3.919) 16.505 0.572 ( 5.836 0.000 19.861) 20.700 0.902 ( 15.101 0.000 23.133) 27.626 1.597 ( 0.358 0.000 -1.161) 1.215 1.954 ( 8.312 0.000 3.610) 9.062 2.054 ( 15.607 0.000 -5.080) 16.413 2.221 ( 5.911 0.000 -0.813) 5.967 2.992 ( -2.234 -0.000 -6.016) 6.418 3.025 ( -4.434 -0.000 2.866) 5.280 3.272 ( -0.068 -0.000 9.183) 9.183 3.361 ( 4.214 0.000 -2.637) 4.971 3.505 ( 5.829 0.000 -8.370) 10.199 4.254 ( -19.148 -0.000 33.204) 38.330 4.911 ( -6.396 -0.000 -1.825) 6.651 5.284 ( -21.834 -0.000 25.261) 33.389 5.505 ( 0.176 0.000 -0.004) 0.176 5.985 ( 2.940 0.000 -8.316) 8.820 6.014 ( -1.540 -0.000 1.240) 1.977 6.309 ( -1.172 -0.000 8.071) 8.155 6.713 ( -1.889 -0.000 4.961) 5.308 8.813 ( 4.602 0.000 -1.829) 4.952 9.443 ( 5.852 0.000 -15.990) 17.027 9.685 ( 12.451 0.000 -13.867) 18.636 9.845 ( 3.285 0.000 1.815) 3.753 ======================= Grid point 11 (7/205) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.655 ( 13.585 4.041 7.185) 15.891 0.773 ( 0.580 -1.892 12.891) 13.042 1.220 ( 9.159 -1.538 14.346) 17.089 1.591 ( -0.035 -0.039 -1.474) 1.475 2.007 ( 10.921 13.078 -2.430) 17.211 2.211 ( 13.827 -2.301 0.363) 14.022 2.468 ( 12.810 -15.723 -1.615) 20.345 2.911 ( -0.012 4.647 -0.902) 4.734 3.032 ( -0.975 -3.969 0.701) 4.146 3.280 ( -0.856 4.116 4.795) 6.376 3.447 ( -1.991 -5.451 5.007) 7.664 3.564 ( 9.646 -6.635 -8.008) 14.185 4.275 ( -4.160 0.347 11.132) 11.889 4.791 ( -8.713 2.286 -1.155) 9.081 5.174 ( -17.736 1.793 14.941) 23.260 5.477 ( 0.439 2.888 -2.790) 4.040 5.961 ( 1.542 -0.378 -5.701) 5.918 6.003 ( -1.947 -0.713 -0.711) 2.191 6.360 ( -0.901 -0.381 7.058) 7.126 6.728 ( -1.822 0.267 5.469) 5.771 8.865 ( 5.493 -0.049 -2.038) 5.859 9.336 ( 3.454 8.233 -7.653) 11.760 9.719 ( 8.466 1.144 -5.798) 10.325 9.960 ( 3.036 -6.636 -1.885) 7.537 ======================= Grid point 12 (8/205) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.826 ( 0.088 0.151 8.440) 8.441 0.837 ( 7.709 2.541 4.749) 9.404 1.389 ( 4.751 -0.758 3.060) 5.701 1.569 ( -0.779 1.406 -0.830) 1.809 1.942 ( 9.237 13.473 -3.490) 16.704 2.430 ( 12.153 -3.385 2.246) 12.814 2.719 ( 5.163 -6.093 -3.796) 8.843 2.865 ( -1.179 4.325 3.780) 5.864 3.145 ( 6.671 -2.169 1.383) 7.149 3.282 ( 4.498 -5.793 -2.074) 7.622 3.504 ( -1.300 -1.298 6.524) 6.778 3.776 ( 6.753 -12.939 1.289) 14.652 4.313 ( 4.974 -0.511 -3.331) 6.009 4.612 ( -11.125 5.826 0.447) 12.566 5.032 ( -16.473 1.915 10.851) 19.818 5.413 ( -0.264 2.818 -4.335) 5.177 5.945 ( -2.030 -0.547 0.757) 2.235 5.976 ( 0.644 -0.459 -5.088) 5.149 6.399 ( -0.458 0.006 4.374) 4.398 6.744 ( -1.503 0.082 4.280) 4.537 8.913 ( 4.860 0.901 -1.674) 5.219 9.227 ( 1.344 7.272 -4.024) 8.420 9.776 ( 5.929 -0.426 -2.962) 6.641 10.039 ( 2.230 -3.172 -1.424) 4.131 ======================= Grid point 13 (9/205) ======================= q-point: ( 0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.814 ( -1.563 1.019 1.613) 2.466 0.958 ( 6.092 3.322 3.346) 7.704 1.416 ( 0.643 -1.096 -6.917) 7.033 1.523 ( -0.658 3.429 -0.641) 3.550 1.875 ( 7.651 10.440 -2.629) 13.207 2.618 ( 8.957 -0.653 2.711) 9.381 2.735 ( 1.038 4.650 1.196) 4.912 2.840 ( -0.570 0.205 0.827) 1.025 3.139 ( -0.995 1.944 -2.717) 3.486 3.478 ( 1.368 -5.308 2.430) 5.995 3.588 ( 5.892 -1.346 5.465) 8.148 4.040 ( 5.781 -12.713 5.701) 15.085 4.307 ( 0.098 5.410 -8.568) 10.134 4.429 ( -4.726 1.586 0.273) 4.993 4.898 ( -11.342 -0.150 5.642) 12.669 5.348 ( -1.134 0.597 -3.712) 3.927 5.936 ( -6.461 -0.994 8.744) 10.918 5.963 ( 5.716 -0.962 -10.444) 11.945 6.414 ( -0.012 0.550 1.253) 1.369 6.749 ( -1.645 0.154 2.269) 2.807 8.939 ( 3.597 1.888 -1.051) 4.197 9.132 ( -0.362 5.051 -2.121) 5.490 9.819 ( 3.108 0.361 -1.481) 3.462 10.082 ( 1.948 -0.928 -0.203) 2.167 ======================= Grid point 14 (10/205) ======================= q-point: (-0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.787 ( -2.267 0.720 -2.066) 3.151 0.942 ( 4.570 10.066 -1.593) 11.169 1.301 ( -5.343 0.494 -15.882) 16.764 1.509 ( 2.368 0.269 1.177) 2.658 1.850 ( 6.772 7.397 0.546) 10.043 2.592 ( -3.040 10.072 2.426) 10.797 2.780 ( 2.470 0.002 0.226) 2.481 2.852 ( 3.151 1.701 3.468) 4.985 3.083 ( -0.170 -0.691 -6.368) 6.408 3.498 ( -3.181 2.691 3.730) 5.592 3.620 ( -3.351 6.670 7.320) 10.455 4.099 ( -3.892 9.311 -7.201) 12.397 4.281 ( -4.523 -3.765 9.163) 10.890 4.440 ( 6.525 -7.682 -1.199) 10.150 4.882 ( 1.520 -7.231 -5.956) 9.491 5.319 ( -1.571 -2.239 -1.651) 3.195 5.944 ( -6.690 -1.185 11.153) 13.059 5.983 ( 7.459 -2.099 -10.596) 13.127 6.407 ( 0.683 1.141 -1.246) 1.822 6.734 ( -1.808 0.488 0.743) 2.015 8.940 ( 1.958 3.008 -0.265) 3.599 9.063 ( -2.084 1.923 -0.904) 2.976 9.818 ( 0.565 2.304 -0.547) 2.434 10.113 ( 1.817 0.271 1.182) 2.184 ======================= Grid point 15 (11/205) ======================= q-point: (-0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.675 ( -2.698 8.395 -2.800) 9.252 0.825 ( -1.051 8.981 -8.124) 12.156 1.080 ( -1.855 3.519 -18.625) 19.045 1.555 ( 0.115 -2.058 1.704) 2.674 1.864 ( 5.835 6.227 2.844) 8.994 2.405 ( -6.323 13.598 3.078) 15.309 2.697 ( -6.278 5.444 -4.694) 9.543 2.915 ( 2.927 0.686 2.697) 4.039 3.077 ( 3.981 -0.811 -3.018) 5.061 3.385 ( -3.770 9.672 3.419) 10.929 3.573 ( -2.750 3.403 6.934) 8.199 3.847 ( -9.145 10.474 -3.445) 14.325 4.245 ( -3.789 1.124 0.827) 4.038 4.685 ( 9.380 -9.727 -0.553) 13.524 4.964 ( 3.489 -9.450 -10.773) 14.749 5.338 ( -0.708 -4.195 -0.185) 4.258 5.965 ( -6.160 -0.996 11.676) 13.239 6.032 ( 7.905 -2.798 -10.322) 13.299 6.392 ( 2.045 1.576 -2.158) 3.365 6.711 ( -1.297 0.596 0.664) 1.574 8.911 ( 0.230 3.989 0.492) 4.025 9.006 ( -5.634 -0.303 0.050) 5.642 9.774 ( -0.745 3.985 0.064) 4.055 10.139 ( 1.494 1.124 2.422) 3.060 ======================= Grid point 16 (12/205) ======================= q-point: (-0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.519 ( 2.300 13.626 -0.084) 13.819 0.549 ( -8.231 7.870 -16.204) 19.806 0.868 ( -1.516 11.363 -12.263) 16.787 1.577 ( -1.924 -1.864 1.085) 2.891 1.863 ( 1.787 6.442 2.113) 7.011 2.191 ( -1.967 13.626 2.030) 13.916 2.451 ( -9.290 10.282 -3.596) 14.316 2.964 ( 1.901 -2.666 -0.230) 3.283 3.133 ( 5.907 1.575 0.264) 6.119 3.275 ( -1.732 6.579 3.064) 7.461 3.545 ( -0.749 3.886 0.027) 3.958 3.602 ( -10.133 7.119 4.179) 13.070 4.191 ( 3.898 1.265 -11.683) 12.381 4.867 ( 4.087 -6.755 -0.258) 7.899 5.010 ( 0.132 -7.450 -9.782) 12.297 5.394 ( 0.633 -4.576 -0.014) 4.619 5.993 ( -4.671 -0.902 9.762) 10.859 6.079 ( 6.196 -2.328 -9.326) 11.437 6.397 ( 4.061 1.254 -1.526) 4.516 6.702 ( -0.287 0.501 1.321) 1.442 8.860 ( -0.996 4.121 0.865) 4.327 8.910 ( -10.461 0.351 0.897) 10.505 9.712 ( -0.658 4.421 0.240) 4.476 10.164 ( 1.370 1.319 3.264) 3.778 ======================= Grid point 17 (13/205) ======================= q-point: (-0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.266 ( -0.000 10.692 -0.000) 10.692 0.406 ( -0.000 13.918 -0.000) 13.918 0.561 ( -0.000 21.405 -0.000) 21.405 1.582 ( 0.000 -1.219 0.000) 1.219 1.792 ( -0.000 5.558 -0.000) 5.558 2.041 ( -0.000 11.880 -0.000) 11.880 2.256 ( -0.000 7.417 -0.000) 7.417 3.018 ( 0.000 -3.767 0.000) 3.767 3.158 ( -0.000 1.652 -0.000) 1.652 3.218 ( -0.000 4.706 -0.000) 4.706 3.437 ( -0.000 4.717 -0.000) 4.717 3.536 ( -0.000 2.377 -0.000) 2.377 4.138 ( -0.000 1.964 -0.000) 1.964 4.959 ( 0.000 -4.679 0.000) 4.679 5.021 ( 0.000 -3.370 0.000) 3.370 5.450 ( 0.000 -3.395 0.000) 3.395 6.013 ( 0.000 -0.738 0.000) 0.738 6.104 ( 0.000 -1.494 0.000) 1.494 6.427 ( 0.000 -0.407 0.000) 0.407 6.704 ( -0.000 0.385 -0.000) 0.385 8.778 ( -0.000 3.645 -0.000) 3.645 8.812 ( -0.000 3.462 -0.000) 3.462 9.659 ( -0.000 3.564 -0.000) 3.564 10.187 ( -0.000 0.063 -0.000) 0.063 ======================= Grid point 20 (14/205) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.835 ( -4.097 -0.000 11.367) 12.083 0.882 ( 10.914 0.000 3.967) 11.612 1.379 ( 5.885 0.000 3.041) 6.625 1.578 ( -0.565 -0.000 -0.841) 1.014 2.240 ( 6.609 0.000 0.095) 6.610 2.449 ( 12.392 0.000 1.549) 12.489 2.455 ( 22.547 0.000 -6.840) 23.561 2.957 ( -4.240 -0.000 1.121) 4.386 3.038 ( 10.911 0.000 1.448) 11.007 3.376 ( -1.646 -0.000 3.598) 3.956 3.383 ( -3.745 -0.000 10.500) 11.148 3.590 ( 9.676 0.000 -5.106) 10.940 4.311 ( 1.057 0.000 2.688) 2.888 4.682 ( -9.545 -0.000 -0.686) 9.570 5.051 ( -17.955 -0.000 10.437) 20.768 5.455 ( -1.764 -0.000 -4.642) 4.966 5.934 ( -4.353 -0.000 3.969) 5.890 5.969 ( 3.306 0.000 -9.434) 9.996 6.400 ( -0.541 -0.000 5.475) 5.502 6.746 ( -2.639 -0.000 5.848) 6.416 8.929 ( 6.455 0.000 -2.094) 6.786 9.338 ( -1.043 -0.000 -5.311) 5.412 9.787 ( 8.699 0.000 -7.786) 11.674 9.972 ( 4.397 0.000 1.241) 4.569 ======================= Grid point 21 (15/205) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.834 ( -5.618 0.502 6.159) 8.352 1.023 ( 8.907 1.621 3.403) 9.672 1.405 ( 1.268 -0.096 -8.223) 8.321 1.560 ( -1.507 0.341 -0.137) 1.551 2.209 ( 7.446 12.471 -2.562) 14.749 2.611 ( 13.834 1.141 3.326) 14.274 2.741 ( 14.677 -4.678 -4.567) 16.067 2.890 ( -3.019 2.744 -0.386) 4.098 3.258 ( 8.192 -7.685 0.992) 11.276 3.282 ( 1.823 9.123 4.760) 10.451 3.530 ( 0.343 -5.883 11.670) 13.073 3.740 ( 8.892 -8.526 0.242) 12.321 4.339 ( 4.856 0.161 -5.612) 7.423 4.533 ( -10.845 3.189 0.512) 11.316 4.898 ( -17.631 -0.111 9.029) 19.808 5.373 ( -3.203 0.922 -5.797) 6.687 5.908 ( -8.611 -0.899 9.116) 12.573 5.947 ( 6.641 -0.324 -12.647) 14.288 6.426 ( -0.236 0.296 2.821) 2.846 6.751 ( -2.810 0.029 4.386) 5.209 8.985 ( 5.716 1.325 -1.732) 6.117 9.259 ( -1.543 3.624 -3.896) 5.540 9.830 ( 6.336 0.606 -4.300) 7.681 10.046 ( 3.993 -1.479 0.299) 4.269 ======================= Grid point 22 (16/205) ======================= q-point: ( 0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.795 ( -3.794 0.224 1.044) 3.942 1.117 ( 6.886 3.911 1.816) 8.125 1.295 ( -3.397 -0.325 -15.111) 15.491 1.530 ( -2.041 0.694 0.516) 2.217 2.138 ( 10.412 13.872 -2.333) 17.501 2.756 ( 7.075 1.610 0.148) 7.258 2.811 ( -3.466 1.622 -0.033) 3.827 2.901 ( 11.987 3.345 2.584) 12.710 3.156 ( -0.824 8.221 -2.086) 8.521 3.472 ( 1.382 -4.808 7.022) 8.622 3.703 ( 6.024 -0.394 6.933) 9.193 4.009 ( 7.913 -13.133 5.084) 16.154 4.305 ( 0.432 4.890 -9.439) 10.639 4.373 ( -6.690 0.789 0.047) 6.737 4.769 ( -12.868 -2.234 6.243) 14.476 5.281 ( -3.675 -0.823 -5.302) 6.504 5.893 ( -6.867 -2.611 7.441) 10.457 5.947 ( 5.446 -0.751 -8.972) 10.522 6.431 ( 0.140 0.757 0.497) 0.916 6.742 ( -2.694 0.142 2.579) 3.732 9.012 ( 4.356 2.647 -1.280) 5.256 9.161 ( -1.645 4.574 -2.702) 5.561 9.860 ( 3.668 1.232 -1.973) 4.343 10.107 ( 3.264 -0.610 0.336) 3.337 ======================= Grid point 23 (17/205) ======================= q-point: (-0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.752 ( -1.803 0.148 -2.715) 3.263 1.018 ( -6.263 5.005 -14.281) 16.378 1.201 ( 4.776 4.998 -3.498) 7.748 1.514 ( -1.378 -1.070 0.795) 1.917 2.104 ( 11.164 12.541 -0.361) 16.794 2.709 ( -3.697 7.975 3.788) 9.572 2.778 ( -0.085 1.908 -3.481) 3.970 2.975 ( 0.161 5.878 1.222) 6.006 3.091 ( 10.702 3.484 -2.030) 11.436 3.551 ( 1.245 2.016 5.340) 5.842 3.711 ( -5.688 7.406 7.468) 11.957 4.091 ( -6.595 8.556 -5.523) 12.132 4.243 ( -4.042 -2.351 5.000) 6.846 4.410 ( 8.220 -11.235 -1.273) 13.979 4.751 ( -2.093 -7.005 -2.139) 7.618 5.233 ( -2.979 -4.049 -3.285) 6.005 5.916 ( -6.464 -3.800 9.932) 12.445 5.962 ( 6.327 -1.653 -10.113) 12.043 6.423 ( 0.705 1.026 -0.773) 1.465 6.724 ( -2.020 0.330 1.591) 2.592 9.011 ( 2.744 3.734 -0.778) 4.699 9.068 ( -1.868 4.281 -1.575) 4.929 9.858 ( 1.445 2.714 -0.720) 3.158 10.151 ( 2.368 0.040 0.824) 2.508 ======================= Grid point 24 (18/205) ======================= q-point: (-0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.687 ( -3.335 1.265 -8.561) 9.274 0.745 ( -5.063 7.508 -8.321) 12.298 1.149 ( 4.681 10.391 -2.561) 11.681 1.526 ( -1.194 -2.204 0.479) 2.552 2.091 ( 7.914 11.471 1.361) 14.003 2.558 ( -3.660 13.391 5.173) 14.814 2.666 ( -3.430 7.740 -5.535) 10.114 2.910 ( -1.178 -0.664 -2.087) 2.486 3.201 ( 11.574 4.353 0.761) 12.389 3.487 ( -5.348 9.859 3.997) 11.907 3.631 ( -0.779 3.392 3.840) 5.182 3.825 ( -9.552 10.468 -2.145) 14.332 4.226 ( -1.999 0.799 0.600) 2.235 4.646 ( 5.274 -11.159 -1.194) 12.400 4.819 ( 0.811 -7.985 -3.628) 8.808 5.255 ( -1.093 -6.442 -1.168) 6.638 5.962 ( -8.092 -2.136 15.094) 17.259 5.992 ( 8.531 -3.943 -14.930) 17.642 6.417 ( 1.180 0.698 -0.848) 1.612 6.713 ( -0.781 0.283 1.289) 1.534 8.977 ( -0.055 5.027 0.267) 5.035 8.982 ( -1.291 4.247 -1.124) 4.579 9.822 ( 0.200 4.131 -0.120) 4.137 10.179 ( 1.250 0.258 0.985) 1.613 ======================= Grid point 25 (19/205) ======================= q-point: (-0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.506 ( -0.000 8.175 -0.000) 8.175 0.646 ( -0.000 6.123 -0.000) 6.123 1.013 ( -0.000 14.980 -0.000) 14.980 1.543 ( 0.000 -1.919 0.000) 1.919 2.006 ( -0.000 11.435 -0.000) 11.435 2.405 ( -0.000 16.754 -0.000) 16.754 2.466 ( -0.000 8.573 -0.000) 8.573 2.927 ( 0.000 -3.455 0.000) 3.455 3.237 ( -0.000 5.084 -0.000) 5.084 3.352 ( -0.000 6.385 -0.000) 6.385 3.611 ( -0.000 9.462 -0.000) 9.462 3.612 ( -0.000 3.628 -0.000) 3.628 4.194 ( -0.000 2.183 -0.000) 2.183 4.792 ( 0.000 -8.903 0.000) 8.903 4.898 ( 0.000 -6.508 0.000) 6.508 5.328 ( 0.000 -6.401 0.000) 6.401 5.989 ( 0.000 -1.143 0.000) 1.143 6.039 ( 0.000 -3.968 0.000) 3.968 6.420 ( 0.000 -0.043 0.000) 0.043 6.712 ( -0.000 0.228 -0.000) 0.228 8.895 ( -0.000 5.459 -0.000) 5.459 8.921 ( -0.000 5.102 -0.000) 5.102 9.767 ( -0.000 4.732 -0.000) 4.732 10.190 ( -0.000 0.137 -0.000) 0.137 ======================= Grid point 30 (20/205) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.799 ( -5.678 -0.000 2.895) 6.373 1.158 ( 7.846 0.000 2.287) 8.173 1.293 ( -3.259 -0.000 -15.931) 16.261 1.538 ( -2.665 -0.000 0.743) 2.766 2.352 ( 5.638 0.000 -0.003) 5.638 2.771 ( 6.388 0.000 0.956) 6.459 2.798 ( 1.410 0.000 -7.370) 7.503 2.989 ( 17.938 0.000 -0.927) 17.962 3.317 ( 5.277 0.000 7.302) 9.010 3.389 ( -5.189 -0.000 5.531) 7.584 3.643 ( 14.660 0.000 7.909) 16.658 3.806 ( 6.987 0.000 3.041) 7.619 4.346 ( 4.804 0.000 -9.511) 10.655 4.415 ( -11.471 -0.000 0.531) 11.483 4.745 ( -17.026 -0.000 9.761) 19.626 5.273 ( -5.341 -0.000 -6.400) 8.336 5.855 ( -6.834 -0.000 4.814) 8.359 5.938 ( 4.235 0.000 -7.066) 8.238 6.441 ( -0.042 -0.000 1.001) 1.002 6.743 ( -3.129 -0.000 3.289) 4.540 9.049 ( 4.770 0.000 -1.461) 4.989 9.226 ( -2.327 -0.000 -3.370) 4.095 9.877 ( 4.910 0.000 -3.102) 5.808 10.096 ( 4.157 0.000 0.475) 4.184 ======================= Grid point 31 (21/205) ======================= q-point: (-0.56 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.742 ( -3.932 -0.413 -2.551) 4.705 1.094 ( -5.731 1.510 -16.067) 17.126 1.265 ( 7.055 0.679 1.115) 7.175 1.506 ( -3.515 0.109 1.551) 3.844 2.384 ( 8.390 7.915 -0.712) 11.556 2.750 ( -1.744 -1.575 -4.688) 5.244 2.801 ( -1.219 0.348 -0.320) 1.308 3.164 ( 12.248 6.788 2.470) 14.220 3.298 ( 4.335 10.173 0.301) 11.062 3.513 ( 5.463 -4.346 8.995) 11.386 3.836 ( 4.297 3.271 5.509) 7.714 4.004 ( 9.248 -11.064 3.819) 14.917 4.271 ( -8.382 0.723 -0.788) 8.450 4.287 ( -0.409 2.045 -10.421) 10.628 4.645 ( -10.694 -1.848 8.593) 13.843 5.159 ( -5.786 -1.641 -5.743) 8.315 5.825 ( -4.433 -2.521 2.648) 5.746 5.941 ( 2.447 -0.363 -3.705) 4.455 6.441 ( 0.154 0.434 -0.149) 0.484 6.726 ( -2.541 -0.016 2.014) 3.242 9.080 ( 3.282 1.631 -1.069) 3.818 9.159 ( -2.017 2.288 -2.462) 3.920 9.904 ( 2.950 0.992 -1.481) 3.447 10.148 ( 3.136 -0.161 0.368) 3.161 ======================= Grid point 32 (22/205) ======================= q-point: (-0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.664 ( -3.369 -1.858 -9.021) 9.807 0.896 ( -3.898 4.461 -7.174) 9.304 1.322 ( 4.317 3.684 0.455) 5.693 1.482 ( -2.236 -1.086 1.036) 2.693 2.373 ( 8.266 10.358 -0.653) 13.268 2.712 ( -4.205 1.346 1.153) 4.563 2.757 ( -1.603 -0.882 -2.975) 3.492 3.089 ( -1.116 12.835 0.877) 12.913 3.356 ( 16.554 8.067 -0.146) 18.415 3.656 ( 4.675 1.831 4.870) 6.995 3.758 ( -9.571 8.075 4.921) 13.454 4.072 ( -6.485 8.149 -3.135) 10.876 4.199 ( -0.840 -2.835 -0.433) 2.988 4.341 ( 5.171 -12.958 -0.825) 13.976 4.656 ( -1.356 -4.539 2.358) 5.291 5.102 ( -3.747 -5.392 -3.208) 7.308 5.848 ( -2.232 -5.068 2.030) 5.898 5.950 ( 1.560 -0.759 -2.322) 2.898 6.435 ( 0.276 0.660 -0.413) 0.827 6.714 ( -1.282 -0.112 1.062) 1.669 9.076 ( 1.623 3.042 -0.752) 3.529 9.088 ( -1.099 3.578 -1.025) 3.881 9.902 ( 1.143 2.302 -0.472) 2.613 10.182 ( 1.615 0.014 0.342) 1.651 ======================= Grid point 33 (23/205) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.602 ( 0.000 -0.273 0.000) 0.273 0.785 ( -0.000 5.895 -0.000) 5.895 1.283 ( -0.000 7.303 -0.000) 7.303 1.493 ( 0.000 -2.017 0.000) 2.017 2.301 ( -0.000 11.556 -0.000) 11.556 2.635 ( -0.000 4.910 -0.000) 4.910 2.739 ( -0.000 3.807 -0.000) 3.807 2.929 ( -0.000 9.455 -0.000) 9.455 3.407 ( -0.000 8.301 -0.000) 8.301 3.537 ( -0.000 8.896 -0.000) 8.896 3.699 ( -0.000 3.126 -0.000) 3.126 3.876 ( -0.000 11.215 -0.000) 11.215 4.218 ( 0.000 -0.853 0.000) 0.853 4.529 ( 0.000 -12.355 0.000) 12.355 4.729 ( 0.000 -6.393 0.000) 6.393 5.150 ( 0.000 -7.631 0.000) 7.631 5.913 ( 0.000 -5.928 0.000) 5.928 5.962 ( 0.000 -1.006 0.000) 1.006 6.427 ( -0.000 0.568 -0.000) 0.568 6.713 ( 0.000 -0.167 0.000) 0.167 9.024 ( -0.000 4.705 -0.000) 4.705 9.041 ( -0.000 4.255 -0.000) 4.255 9.871 ( -0.000 3.507 -0.000) 3.507 10.193 ( -0.000 0.106 -0.000) 0.106 ======================= Grid point 40 (24/205) ======================= q-point: ( 0.44 -0.56 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.637 ( -4.331 -0.000 -8.677) 9.698 0.952 ( -3.080 -0.000 -6.865) 7.525 1.357 ( 6.198 0.000 -0.746) 6.243 1.473 ( -4.264 -0.000 2.734) 5.065 2.529 ( 7.119 0.000 -0.271) 7.124 2.682 ( -0.880 -0.000 -4.001) 4.097 2.760 ( -4.977 -0.000 0.495) 5.001 3.285 ( -1.466 -0.000 1.853) 2.363 3.497 ( 15.144 0.000 -1.082) 15.182 3.656 ( 7.807 0.000 8.496) 11.538 3.922 ( -5.192 -0.000 3.186) 6.091 4.053 ( 8.779 0.000 1.213) 8.862 4.162 ( -5.253 -0.000 -0.094) 5.254 4.204 ( -3.309 -0.000 -8.974) 9.565 4.604 ( -3.991 -0.000 7.128) 8.169 5.029 ( -5.323 -0.000 -4.598) 7.034 5.777 ( -2.312 -0.000 0.852) 2.464 5.941 ( 0.935 0.000 -1.334) 1.629 6.444 ( 0.116 0.000 -0.294) 0.316 6.712 ( -1.476 -0.000 1.047) 1.810 9.115 ( 1.665 0.000 -0.576) 1.761 9.135 ( -1.331 -0.000 -1.463) 1.978 9.931 ( 1.531 0.000 -0.670) 1.671 10.182 ( 1.804 0.000 0.209) 1.816 ======================= Grid point 42 (25/205) ======================= q-point: (-0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.567 ( 0.000 -1.372 0.000) 1.372 0.895 ( -0.000 2.497 -0.000) 2.497 1.390 ( -0.000 1.920 -0.000) 1.920 1.455 ( 0.000 -0.896 0.000) 0.896 2.533 ( -0.000 6.916 -0.000) 6.916 2.692 ( 0.000 -3.664 0.000) 3.664 2.709 ( -0.000 1.332 -0.000) 1.332 3.223 ( -0.000 8.715 -0.000) 8.715 3.588 ( -0.000 4.913 -0.000) 4.913 3.745 ( -0.000 2.120 -0.000) 2.120 3.790 ( -0.000 9.132 -0.000) 9.132 4.095 ( -0.000 5.328 -0.000) 5.328 4.150 ( 0.000 -3.379 0.000) 3.379 4.216 ( 0.000 -11.686 0.000) 11.686 4.625 ( 0.000 -1.882 0.000) 1.882 4.995 ( 0.000 -3.956 0.000) 3.956 5.786 ( 0.000 -3.369 0.000) 3.369 5.944 ( 0.000 -0.397 0.000) 0.397 6.441 ( -0.000 0.375 -0.000) 0.375 6.708 ( 0.000 -0.175 0.000) 0.175 9.108 ( -0.000 1.912 -0.000) 1.912 9.114 ( -0.000 1.544 -0.000) 1.544 9.930 ( -0.000 1.254 -0.000) 1.254 10.194 ( -0.000 0.003 -0.000) 0.003 ======================= Grid point 83 (26/205) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.213 ( -2.560 -0.000 12.215) 12.480 0.451 ( 8.166 0.000 22.256) 23.707 0.835 ( -4.737 -0.000 40.500) 40.776 1.600 ( -1.332 -0.000 -0.230) 1.352 1.754 ( 5.939 0.000 -2.574) 6.473 1.889 ( -3.900 -0.000 0.665) 3.957 2.171 ( -1.065 -0.000 2.069) 2.327 3.006 ( -4.225 -0.000 -8.261) 9.279 3.035 ( 7.519 0.000 -7.009) 10.280 3.168 ( 1.009 0.000 1.315) 1.657 3.176 ( 3.936 0.000 1.397) 4.177 3.542 ( -5.188 -0.000 4.196) 6.672 4.963 ( -2.018 -0.000 -1.964) 2.816 5.035 ( -3.186 -0.000 2.036) 3.781 5.520 ( -3.415 -0.000 2.864) 4.457 5.713 ( 9.335 0.000 -17.987) 20.265 6.086 ( 0.301 0.000 -0.497) 0.581 6.422 ( -4.114 -0.000 11.621) 12.328 6.593 ( -4.890 -0.000 -10.084) 11.208 7.778 ( 16.521 0.000 -2.511) 16.710 8.782 ( -2.479 -0.000 1.451) 2.872 8.880 ( -62.978 -0.000 1.733) 63.002 9.611 ( -0.452 -0.000 -0.213) 0.500 9.788 ( 1.495 0.000 0.468) 1.567 ======================= Grid point 84 (27/205) ======================= q-point: ( 0.11 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.381 ( 6.259 -2.800 12.585) 14.332 0.793 ( 7.258 -7.696 17.784) 20.693 1.092 ( 0.948 -1.428 27.463) 27.517 1.582 ( -0.080 0.408 -1.072) 1.150 1.808 ( 4.522 2.303 -1.438) 5.275 1.929 ( 5.725 -5.218 -2.098) 8.025 2.252 ( 4.210 -8.290 4.260) 10.228 2.904 ( -1.756 0.238 -7.484) 7.691 3.096 ( 2.798 -1.704 -0.438) 3.305 3.163 ( 3.222 0.548 -7.108) 7.823 3.270 ( 7.957 -4.790 -2.543) 9.630 3.539 ( -3.542 -0.420 8.306) 9.039 4.864 ( -12.442 4.438 5.479) 14.301 4.980 ( -5.662 1.471 1.706) 6.093 5.479 ( -2.929 2.957 1.797) 4.533 5.694 ( 9.530 0.347 -17.132) 19.607 5.988 ( -12.299 14.771 8.595) 21.055 6.311 ( -26.643 -1.590 -0.902) 26.706 6.460 ( -3.926 -0.332 9.621) 10.397 7.094 ( -41.346 20.302 34.396) 57.486 8.785 ( 0.395 -1.571 0.625) 1.737 8.874 ( 21.629 1.199 -7.167) 22.817 9.618 ( 0.111 -2.007 -0.556) 2.085 9.895 ( 1.597 -9.407 -2.835) 9.954 ======================= Grid point 85 (28/205) ======================= q-point: ( 0.22 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.605 ( 7.155 -3.833 11.547) 14.115 0.987 ( -4.730 -0.291 14.517) 15.271 1.299 ( 3.333 -3.699 8.802) 10.113 1.574 ( 0.404 0.540 -0.252) 0.720 1.790 ( 1.073 3.760 -0.482) 3.940 2.110 ( 11.871 -7.104 -0.764) 13.856 2.538 ( 9.638 -15.276 3.942) 18.488 2.839 ( 0.169 2.033 -2.068) 2.905 3.084 ( -3.133 -0.328 -2.317) 3.910 3.169 ( 6.511 -0.929 -8.456) 10.712 3.482 ( 11.907 -9.725 -1.232) 15.423 3.582 ( -1.208 -1.148 9.396) 9.542 4.645 ( -18.695 7.657 11.878) 23.436 4.882 ( -8.733 3.305 3.182) 9.865 5.408 ( -1.411 5.709 0.652) 5.917 5.598 ( -18.536 9.488 9.597) 22.928 5.709 ( 2.861 1.414 -8.265) 8.860 6.158 ( -8.334 -2.997 0.695) 8.884 6.483 ( -3.747 0.097 8.038) 8.869 6.865 ( -9.131 7.075 14.318) 18.397 8.827 ( 1.327 -2.398 0.485) 2.783 9.019 ( 13.139 2.964 -5.235) 14.451 9.659 ( 1.651 -3.845 -1.032) 4.310 9.986 ( 1.503 -5.899 -2.646) 6.637 ======================= Grid point 86 (29/205) ======================= q-point: ( 0.33 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.815 ( 5.767 -3.534 7.831) 10.347 0.954 ( -8.173 3.603 7.378) 11.585 1.388 ( -0.331 -3.686 -1.701) 4.073 1.559 ( -1.302 2.320 0.794) 2.776 1.763 ( 0.419 1.381 0.563) 1.549 2.352 ( 11.599 -6.471 0.570) 13.295 2.726 ( -1.350 -3.414 -2.930) 4.697 2.891 ( 1.614 0.418 6.962) 7.159 3.065 ( 5.256 -1.591 -6.173) 8.262 3.250 ( 9.140 -9.213 -3.515) 13.445 3.590 ( -1.882 2.449 10.108) 10.569 3.838 ( 14.113 -14.234 -0.942) 20.067 4.432 ( -14.501 6.097 10.276) 18.789 4.717 ( -12.187 6.792 4.990) 14.817 5.271 ( -9.331 10.308 5.257) 14.865 5.418 ( -8.904 0.360 6.556) 11.063 5.702 ( 8.457 -0.253 -13.509) 15.940 6.111 ( -4.839 -1.012 1.706) 5.230 6.485 ( -3.846 0.606 5.952) 7.112 6.809 ( -2.997 3.776 5.957) 7.663 8.876 ( 1.054 -2.159 0.685) 2.498 9.069 ( 5.138 2.267 -2.110) 5.999 9.729 ( 2.631 -4.006 -1.195) 4.940 10.041 ( 1.165 -3.197 -1.541) 3.736 ======================= Grid point 87 (30/205) ======================= q-point: ( 0.44 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.848 ( -6.069 2.389 2.167) 6.873 0.925 ( 0.578 2.149 2.831) 3.601 1.375 ( -3.175 -3.886 -8.543) 9.908 1.499 ( -3.126 2.270 2.363) 4.528 1.782 ( -0.254 -1.611 2.758) 3.204 2.530 ( 6.653 -2.562 -2.516) 7.560 2.716 ( 0.752 1.293 3.079) 3.423 2.887 ( -2.812 0.376 2.326) 3.669 3.067 ( 1.451 0.850 -6.154) 6.380 3.519 ( 7.064 -6.076 1.417) 9.425 3.617 ( 1.459 1.009 8.280) 8.468 4.123 ( 7.327 -5.785 -2.493) 9.663 4.303 ( -7.699 1.157 6.950) 10.436 4.549 ( -7.540 2.215 8.312) 11.439 5.052 ( -12.981 9.543 7.409) 17.733 5.395 ( -3.771 -1.719 4.017) 5.771 5.713 ( 8.800 -0.729 -13.415) 16.061 6.090 ( -2.502 -0.701 2.506) 3.610 6.463 ( -4.052 1.311 4.484) 6.184 6.773 ( -1.333 2.582 1.399) 3.225 8.914 ( 0.009 -1.631 1.193) 2.021 9.081 ( 0.701 -0.235 0.004) 0.739 9.788 ( 1.345 -2.278 -1.028) 2.838 10.077 ( 1.158 -1.607 -0.011) 1.981 ======================= Grid point 88 (31/205) ======================= q-point: (-0.44 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.780 ( -1.629 2.852 -0.451) 3.316 0.830 ( -7.004 5.625 0.016) 8.983 1.222 ( -10.194 0.810 -12.223) 15.937 1.525 ( 0.752 -3.191 3.611) 4.878 1.827 ( -1.475 -2.570 4.521) 5.406 2.520 ( -1.296 4.597 -2.442) 5.364 2.774 ( 2.056 -0.152 2.570) 3.294 2.871 ( -1.911 1.651 4.404) 5.077 3.016 ( 0.516 -1.100 -7.404) 7.503 3.511 ( -2.316 5.959 -2.748) 6.958 3.649 ( -4.271 7.117 8.187) 11.659 4.041 ( -8.884 8.222 2.964) 12.462 4.417 ( 8.963 -9.452 1.815) 13.152 4.652 ( -3.088 -7.416 14.702) 16.754 4.851 ( -8.852 6.395 5.524) 12.238 5.414 ( -2.833 -3.122 3.548) 5.510 5.734 ( 9.180 -1.337 -13.683) 16.532 6.103 ( -0.325 -0.799 2.796) 2.926 6.424 ( -4.097 2.071 4.414) 6.369 6.734 ( -0.633 1.942 -0.780) 2.186 8.931 ( -1.545 -0.601 2.034) 2.624 9.106 ( -1.747 -4.419 1.182) 4.896 9.797 ( -0.957 0.012 -0.774) 1.231 10.112 ( 1.219 -0.491 1.601) 2.071 ======================= Grid point 89 (32/205) ======================= q-point: (-0.33 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.608 ( -9.226 8.715 0.592) 12.705 0.765 ( -2.205 1.950 2.147) 3.643 0.944 ( -14.804 2.821 -10.687) 18.475 1.598 ( 0.843 -2.422 1.798) 3.132 1.873 ( -2.585 -2.637 5.279) 6.443 2.365 ( -7.893 9.410 -0.523) 12.293 2.701 ( -9.212 4.337 -1.384) 10.275 2.906 ( 3.494 -0.079 2.522) 4.310 3.020 ( 2.655 -1.667 -2.378) 3.935 3.306 ( -3.243 11.775 -6.183) 13.689 3.547 ( -3.408 7.629 2.215) 8.644 3.852 ( -10.997 6.692 5.628) 14.049 4.665 ( 4.391 -6.931 5.295) 9.765 4.727 ( -14.758 -0.943 35.698) 38.640 4.871 ( 7.033 -6.370 -5.159) 10.800 5.451 ( -2.626 -3.861 3.602) 5.898 5.759 ( 9.366 -1.504 -15.246) 17.956 6.138 ( 1.540 0.025 2.813) 3.207 6.386 ( -3.697 2.373 6.331) 7.706 6.703 ( 0.154 1.211 -1.277) 1.767 8.920 ( -3.270 0.531 2.846) 4.368 9.161 ( -5.042 -9.191 1.995) 10.671 9.758 ( -2.720 1.509 -0.294) 3.124 10.141 ( 0.980 0.757 2.581) 2.863 ======================= Grid point 90 (33/205) ======================= q-point: (-0.22 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.410 ( -8.758 8.117 6.292) 13.497 0.650 ( -16.561 4.316 0.461) 17.121 0.697 ( -7.646 6.011 8.145) 12.686 1.625 ( -0.857 -0.579 0.669) 1.232 1.878 ( -5.254 1.372 2.619) 6.029 2.132 ( -8.490 7.428 1.250) 11.350 2.452 ( -13.759 8.848 -1.109) 16.396 2.976 ( 3.345 -1.788 1.381) 4.037 3.059 ( 4.701 3.070 0.235) 5.620 3.134 ( 3.178 5.177 -8.351) 10.326 3.394 ( -5.907 6.911 -3.417) 9.713 3.702 ( -9.345 3.656 5.325) 11.360 4.851 ( 5.190 -6.752 6.251) 10.564 4.939 ( 2.891 -3.443 14.310) 15.000 5.032 ( -11.743 -14.838 48.277) 51.853 5.494 ( -2.297 -3.230 4.226) 5.794 5.766 ( 9.042 -1.099 -16.908) 19.206 6.188 ( 4.314 2.548 5.578) 7.498 6.377 ( -2.816 2.085 9.166) 9.813 6.687 ( 0.845 0.565 -2.024) 2.264 8.880 ( -4.598 1.456 3.051) 5.707 9.230 ( -11.448 -16.287 2.950) 20.125 9.697 ( -3.518 1.443 0.309) 3.815 10.155 ( 1.043 1.846 1.148) 2.411 ======================= Grid point 91 (34/205) ======================= q-point: (-0.11 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.313 ( -1.916 9.245 14.837) 17.586 0.394 ( -14.488 9.455 3.493) 17.649 0.647 ( -12.791 3.935 36.729) 39.092 1.614 ( -1.825 -0.431 0.539) 1.951 1.766 ( -2.387 4.271 -1.104) 5.016 2.001 ( -8.902 3.771 2.729) 10.046 2.219 ( -5.808 4.618 0.704) 7.453 3.028 ( 8.333 3.766 -9.554) 13.225 3.059 ( 2.191 -1.426 -0.019) 2.614 3.136 ( 2.110 0.301 2.285) 3.125 3.204 ( -6.719 4.410 -3.258) 8.672 3.601 ( -7.176 1.503 3.574) 8.157 4.962 ( 4.046 -2.859 -5.305) 7.258 5.022 ( 0.370 -1.664 2.575) 3.088 5.519 ( -3.502 -3.338 3.762) 6.128 5.724 ( 8.831 -3.830 -12.848) 16.054 5.921 ( 3.544 -26.414 28.262) 38.846 6.371 ( -2.819 -2.179 18.301) 18.645 6.539 ( 35.203 -11.148 49.328) 61.618 6.674 ( 2.340 -0.466 -0.753) 2.502 8.823 ( -4.488 1.484 2.434) 5.317 9.310 ( -26.716 -32.063 -0.009) 41.734 9.646 ( -4.089 -0.371 0.536) 4.140 10.076 ( -3.007 9.528 -12.657) 16.125 ======================= Grid point 93 (35/205) ======================= q-point: ( 0.11 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.602 ( 12.071 0.000 9.280) 15.226 0.958 ( 2.430 0.000 17.081) 17.253 1.256 ( 2.239 0.000 11.284) 11.504 1.575 ( 0.289 0.000 -1.190) 1.224 1.958 ( 12.559 0.000 -1.669) 12.669 1.975 ( 11.943 0.000 -3.002) 12.315 2.271 ( 3.544 0.000 5.326) 6.397 2.877 ( 2.944 0.000 -2.309) 3.742 3.078 ( -4.772 -0.000 -1.157) 4.910 3.194 ( 12.440 0.000 -9.543) 15.679 3.302 ( 5.857 0.000 -1.015) 5.944 3.583 ( -2.557 -0.000 12.023) 12.292 4.759 ( -18.906 -0.000 11.193) 21.971 4.910 ( -8.114 -0.000 1.986) 8.353 5.467 ( -3.166 -0.000 0.812) 3.269 5.688 ( 9.573 0.000 -16.341) 18.939 5.821 ( -40.065 -0.000 12.852) 42.076 6.081 ( -1.623 -0.000 1.581) 2.265 6.484 ( -3.589 -0.000 8.458) 9.187 6.986 ( -21.489 -0.000 20.179) 29.479 8.798 ( 2.770 0.000 0.334) 2.790 9.093 ( 19.914 0.000 -13.746) 24.197 9.608 ( 1.602 0.000 -1.115) 1.952 9.875 ( 3.626 0.000 1.148) 3.803 ======================= Grid point 94 (36/205) ======================= q-point: ( 0.22 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.798 ( 10.011 1.267 7.554) 12.605 1.043 ( -6.125 2.170 12.439) 14.034 1.324 ( 2.356 -1.178 -3.117) 4.081 1.575 ( 0.190 -0.267 -0.124) 0.350 1.964 ( 10.014 13.315 -1.615) 16.738 2.227 ( 16.493 -4.768 1.022) 17.198 2.459 ( 6.833 -14.017 -0.853) 15.618 2.937 ( 4.567 2.334 4.600) 6.889 3.007 ( 0.385 -2.163 -4.649) 5.142 3.227 ( 6.424 5.620 -3.661) 9.287 3.485 ( 10.279 -12.519 0.053) 16.199 3.642 ( -2.517 0.859 12.025) 12.315 4.578 ( -18.655 4.420 12.759) 23.029 4.812 ( -10.185 1.116 3.492) 10.824 5.418 ( -5.312 0.691 1.828) 5.660 5.472 ( -23.255 4.270 9.029) 25.309 5.687 ( 8.706 -0.669 -15.320) 17.634 6.077 ( -3.313 -1.189 2.440) 4.283 6.496 ( -3.473 0.250 6.335) 7.229 6.896 ( -9.241 2.494 10.090) 13.908 8.850 ( 4.076 -0.265 0.539) 4.120 9.164 ( 9.804 3.769 -8.602) 13.576 9.649 ( 4.581 -2.036 -1.980) 5.390 9.951 ( 3.451 -3.122 -0.013) 4.654 ======================= Grid point 95 (37/205) ======================= q-point: ( 0.33 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( 3.633 2.798 4.043) 6.113 0.987 ( -4.135 3.419 7.281) 9.044 1.299 ( -0.652 -1.774 -10.157) 10.331 1.572 ( -1.055 1.303 1.119) 2.016 1.903 ( 7.434 12.268 -0.033) 14.345 2.476 ( 13.846 -1.578 1.094) 13.978 2.671 ( 5.739 -7.651 -0.714) 9.591 2.889 ( -2.839 0.503 -3.951) 4.891 3.159 ( 5.155 6.581 1.627) 8.517 3.260 ( 11.612 -9.588 3.042) 15.363 3.680 ( -1.615 2.231 9.347) 9.744 3.809 ( 11.021 -15.746 0.792) 19.236 4.401 ( -12.961 5.065 8.962) 16.552 4.668 ( -12.416 4.279 5.396) 14.198 5.228 ( -18.910 4.022 8.915) 21.290 5.366 ( -4.063 -0.069 0.947) 4.173 5.687 ( 8.294 -1.133 -15.341) 17.476 6.068 ( -3.314 -0.908 3.480) 4.891 6.489 ( -3.417 0.730 4.731) 5.881 6.836 ( -4.664 2.302 4.141) 6.648 8.905 ( 3.672 0.622 0.928) 3.839 9.143 ( 3.249 4.183 -4.159) 6.734 9.727 ( 5.214 -2.336 -1.929) 6.031 10.025 ( 3.017 -2.421 -0.343) 3.884 ======================= Grid point 96 (38/205) ======================= q-point: (-0.56 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.856 ( -4.951 3.616 1.257) 6.258 1.000 ( 2.852 5.838 0.199) 6.500 1.209 ( -4.563 -1.627 -9.830) 10.959 1.537 ( -0.724 3.104 2.384) 3.981 1.877 ( 6.245 7.727 2.895) 10.348 2.607 ( 8.510 2.510 -2.996) 9.365 2.803 ( 4.818 1.660 4.083) 6.530 2.849 ( 0.278 -3.844 -1.567) 4.161 3.073 ( -2.755 6.706 -0.974) 7.315 3.554 ( 5.303 -4.408 3.292) 7.641 3.719 ( 3.460 0.588 6.538) 7.420 4.105 ( 7.395 -9.419 -1.814) 12.112 4.273 ( -7.602 1.670 5.709) 9.653 4.525 ( -9.314 0.733 8.014) 12.309 5.015 ( -16.719 5.427 9.360) 19.915 5.340 ( -4.751 -2.641 2.644) 6.044 5.689 ( 8.112 -2.114 -15.600) 17.710 6.077 ( -1.960 -1.200 4.296) 4.872 6.468 ( -3.349 1.391 4.403) 5.704 6.782 ( -2.566 1.881 0.440) 3.212 8.940 ( 2.523 1.412 1.233) 3.143 9.096 ( -0.160 2.744 -1.400) 3.085 9.790 ( 3.372 -0.681 -1.409) 3.717 10.085 ( 2.740 -1.473 0.399) 3.136 ======================= Grid point 97 (39/205) ======================= q-point: (-0.44 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.758 ( -5.089 0.395 -5.261) 7.331 0.920 ( 2.470 10.381 0.355) 10.677 1.049 ( -8.492 5.770 -2.945) 10.681 1.546 ( 0.764 -0.797 2.607) 2.831 1.907 ( 5.556 5.297 4.995) 9.158 2.593 ( 2.949 8.063 -2.382) 8.910 2.793 ( -4.351 2.923 2.152) 5.666 2.936 ( -1.305 3.703 0.195) 3.931 2.968 ( 5.473 -1.852 -1.085) 5.879 3.538 ( -1.032 6.126 -3.390) 7.077 3.744 ( -4.108 7.113 6.283) 10.341 4.034 ( -9.615 7.376 1.113) 12.169 4.420 ( 9.615 -11.144 0.201) 14.720 4.593 ( -6.002 -10.013 12.718) 17.264 4.845 ( -11.722 3.821 11.408) 16.797 5.349 ( -4.465 -4.363 3.708) 7.261 5.702 ( 8.512 -2.937 -16.309) 18.630 6.116 ( -0.438 -1.661 4.984) 5.272 6.443 ( -3.053 2.006 5.369) 6.494 6.735 ( -1.041 1.335 -1.363) 2.173 8.953 ( 0.981 2.057 1.655) 2.816 9.056 ( -2.650 0.314 0.317) 2.687 9.804 ( 1.201 1.676 -0.863) 2.235 10.136 ( 2.143 -0.772 1.068) 2.516 ======================= Grid point 98 (40/205) ======================= q-point: (-0.33 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.630 ( -4.928 2.575 -4.196) 6.965 0.834 ( -13.570 6.547 14.819) 21.133 0.861 ( 7.979 14.504 -3.231) 16.866 1.585 ( -1.033 -2.203 1.549) 2.885 1.952 ( 4.282 5.434 5.860) 9.067 2.438 ( -3.396 14.715 0.130) 15.102 2.633 ( -9.758 6.548 -1.856) 11.897 2.921 ( 0.940 -2.461 -0.707) 2.727 3.075 ( 6.771 0.287 2.028) 7.074 3.379 ( 1.444 11.102 -7.759) 13.621 3.587 ( -7.489 8.648 -0.708) 11.462 3.829 ( -10.697 6.609 3.720) 13.113 4.654 ( 4.270 -9.083 3.335) 10.576 4.730 ( -14.673 -10.570 26.270) 31.893 4.855 ( 0.589 -3.225 8.518) 9.127 5.392 ( -3.258 -5.104 5.110) 7.924 5.717 ( 8.759 -2.810 -17.648) 19.902 6.185 ( 0.510 -1.999 7.057) 7.352 6.431 ( -2.099 2.018 6.786) 7.385 6.704 ( 0.237 0.717 -2.436) 2.550 8.937 ( -0.905 3.070 2.210) 3.889 9.018 ( -6.481 -1.986 1.447) 6.931 9.772 ( -0.226 3.540 -0.274) 3.557 10.170 ( 1.219 -0.088 0.399) 1.286 ======================= Grid point 99 (41/205) ======================= q-point: (-0.22 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.550 ( -2.454 5.306 7.549) 9.548 0.715 ( -0.152 14.853 14.389) 20.681 0.796 ( -3.229 8.889 14.226) 17.083 1.591 ( -2.630 -1.529 0.519) 3.086 1.930 ( -2.016 8.413 3.982) 9.524 2.223 ( -1.077 14.209 1.437) 14.322 2.391 ( -8.685 8.341 -2.197) 12.240 2.978 ( 1.288 -3.349 0.939) 3.709 3.151 ( 3.974 1.402 0.477) 4.241 3.235 ( 8.649 10.154 -8.564) 15.851 3.353 ( -8.641 7.332 -5.679) 12.676 3.672 ( -8.305 4.239 3.639) 10.009 4.835 ( 4.245 -7.471 -3.792) 9.392 4.887 ( -9.563 -12.479 15.153) 21.835 5.071 ( -10.115 -15.550 42.869) 46.710 5.475 ( -2.343 -5.419 10.085) 11.686 5.717 ( 8.613 -2.219 -18.129) 20.194 6.294 ( -1.563 -3.585 14.465) 14.984 6.457 ( 0.594 0.138 7.761) 7.785 6.679 ( 0.749 0.410 -4.040) 4.129 8.890 ( -2.464 3.773 2.122) 4.981 8.946 ( -12.300 -2.304 3.030) 12.876 9.715 ( -0.710 4.231 0.088) 4.291 10.166 ( 0.128 1.171 -3.179) 3.390 ======================= Grid point 100 (42/205) ======================= q-point: (-0.11 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.441 ( -6.604 12.683 6.719) 15.800 0.700 ( 7.721 13.964 15.451) 22.211 0.874 ( -2.545 3.565 34.450) 34.727 1.581 ( -1.055 -1.269 -0.391) 1.696 1.816 ( -1.069 5.960 0.492) 6.075 2.031 ( -4.085 10.477 -1.244) 11.314 2.273 ( 3.403 7.846 2.526) 8.917 3.000 ( -2.633 -0.837 -4.594) 5.361 3.123 ( 5.445 5.339 -8.904) 11.724 3.168 ( -3.078 1.604 0.493) 3.506 3.242 ( 8.973 5.072 -2.098) 10.519 3.569 ( -5.954 2.221 3.832) 7.421 4.889 ( -6.240 -6.385 1.421) 9.040 4.979 ( -2.628 -4.784 2.323) 5.932 5.422 ( -5.069 -10.962 8.595) 14.824 5.695 ( 8.614 -3.210 -11.545) 14.758 5.763 ( -9.796 -21.959 23.585) 33.681 6.405 ( -6.901 -2.347 15.047) 16.720 6.556 ( -8.488 -5.134 -2.382) 10.202 6.784 ( -3.197 -21.656 29.044) 36.370 8.807 ( -7.796 2.395 2.659) 8.578 8.836 ( -3.911 3.286 2.577) 5.722 9.658 ( -0.469 3.641 -0.098) 3.672 10.067 ( -1.218 7.079 -8.459) 11.098 ======================= Grid point 103 (43/205) ======================= q-point: ( 0.22 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.964 ( 8.081 0.000 3.861) 8.956 1.043 ( -9.498 -0.000 8.762) 12.923 1.280 ( 0.175 0.000 -10.578) 10.580 1.578 ( -0.096 -0.000 1.106) 1.111 2.242 ( 5.739 0.000 0.636) 5.774 2.366 ( 20.545 0.000 -2.762) 20.730 2.482 ( 13.208 0.000 0.253) 13.211 2.902 ( -2.071 -0.000 -6.503) 6.824 3.122 ( 10.243 0.000 7.233) 12.539 3.395 ( 7.983 0.000 -2.124) 8.261 3.466 ( 4.926 0.000 5.361) 7.280 3.713 ( -1.001 -0.000 10.062) 10.111 4.481 ( -15.475 -0.000 11.123) 19.058 4.714 ( -10.938 -0.000 4.044) 11.662 5.261 ( -21.657 -0.000 11.094) 24.333 5.380 ( -4.346 -0.000 -2.120) 4.836 5.671 ( 8.494 0.000 -16.462) 18.524 6.055 ( -3.459 -0.000 4.186) 5.431 6.498 ( -3.177 -0.000 4.638) 5.622 6.868 ( -6.665 -0.000 5.324) 8.531 8.918 ( 5.122 0.000 1.099) 5.238 9.211 ( 3.945 0.000 -6.904) 7.952 9.695 ( 7.063 0.000 -2.591) 7.523 9.987 ( 4.255 0.000 0.371) 4.271 ======================= Grid point 104 (44/205) ======================= q-point: ( 0.33 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.943 ( -9.830 2.643 2.631) 10.514 1.075 ( 6.753 0.813 1.132) 6.895 1.178 ( -3.038 -0.600 -9.808) 10.286 1.583 ( -1.398 0.577 2.770) 3.155 2.190 ( 7.636 14.346 0.605) 16.263 2.651 ( 12.291 0.931 -0.970) 12.365 2.666 ( 11.085 -9.309 -2.954) 14.773 2.856 ( 3.010 1.288 -1.490) 3.597 3.301 ( 2.299 7.299 2.235) 7.972 3.383 ( 10.518 -1.508 6.135) 12.270 3.699 ( 2.775 -8.789 4.505) 10.259 3.804 ( 6.847 -5.549 3.986) 9.673 4.361 ( -11.299 3.112 6.751) 13.526 4.589 ( -12.712 1.874 5.242) 13.877 5.087 ( -18.647 0.855 11.036) 21.685 5.304 ( -5.824 -0.325 -0.408) 5.848 5.646 ( 7.635 -1.114 -17.511) 19.135 6.053 ( -3.278 -0.590 5.419) 6.361 6.490 ( -2.882 0.422 3.974) 4.928 6.817 ( -4.514 0.815 1.592) 4.855 8.982 ( 4.307 1.346 1.595) 4.786 9.177 ( 0.651 2.516 -4.197) 4.936 9.771 ( 6.528 -0.597 -2.056) 6.870 10.051 ( 4.208 -0.982 0.201) 4.326 ======================= Grid point 105 (45/205) ======================= q-point: (-0.56 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.786 ( -8.018 1.933 -4.974) 9.632 1.050 ( -5.319 2.142 -0.903) 5.805 1.166 ( 5.274 1.635 0.047) 5.522 1.567 ( -2.446 1.693 3.424) 4.536 2.139 ( 9.150 12.713 2.184) 15.815 2.732 ( 5.995 3.522 -1.783) 7.178 2.762 ( 0.424 -4.704 -4.039) 6.215 2.969 ( 12.027 1.878 3.640) 12.706 3.157 ( -3.131 13.022 1.739) 13.505 3.593 ( 3.578 -2.255 2.973) 5.170 3.814 ( 5.497 -1.043 3.898) 6.819 4.061 ( 8.045 -10.894 -1.971) 13.685 4.233 ( -7.706 1.542 3.434) 8.577 4.453 ( -11.884 -0.145 7.029) 13.808 4.935 ( -16.211 2.739 12.674) 20.759 5.251 ( -6.688 -3.203 2.233) 7.745 5.628 ( 7.938 -2.776 -18.047) 19.909 6.073 ( -2.524 -1.530 5.837) 6.540 6.479 ( -2.740 0.917 4.655) 5.478 6.763 ( -2.647 0.851 -0.959) 2.941 9.016 ( 2.971 2.723 1.699) 4.374 9.115 ( -0.834 3.183 -1.720) 3.713 9.829 ( 4.305 0.479 -1.255) 4.509 10.115 ( 3.506 -0.839 0.458) 3.634 ======================= Grid point 106 (46/205) ======================= q-point: (-0.44 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.650 ( -4.154 0.612 -3.751) 5.631 0.955 ( -8.821 3.821 9.487) 13.506 1.180 ( 5.896 7.782 -0.571) 9.780 1.548 ( -2.345 -0.039 2.748) 3.613 2.144 ( 9.175 10.041 4.079) 14.201 2.706 ( 1.413 5.720 -2.898) 6.566 2.779 ( -2.880 -0.554 2.294) 3.724 2.953 ( -3.176 11.950 -1.106) 12.414 3.111 ( 11.114 3.008 2.298) 11.741 3.590 ( 3.251 5.760 -4.550) 8.028 3.800 ( -7.563 7.672 2.728) 11.113 4.004 ( -8.622 6.648 -0.526) 10.900 4.384 ( 8.241 -12.785 -1.454) 15.280 4.470 ( -7.839 -9.818 10.808) 16.573 4.836 ( -10.910 1.324 15.381) 18.904 5.253 ( -5.810 -5.892 4.699) 9.516 5.635 ( 8.934 -3.700 -18.344) 20.737 6.119 ( -1.903 -2.894 6.409) 7.285 6.472 ( -2.695 1.263 5.928) 6.633 6.719 ( -0.856 0.486 -2.527) 2.712 9.018 ( 1.407 3.523 1.329) 4.020 9.056 ( -1.612 3.325 0.759) 3.772 9.846 ( 2.082 2.295 -0.585) 3.154 10.163 ( 2.196 -0.384 0.404) 2.265 ======================= Grid point 107 (47/205) ======================= q-point: (-0.33 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.634 ( 1.545 1.893 7.357) 7.753 0.890 ( -9.426 4.634 17.826) 20.691 1.129 ( 5.873 11.668 0.242) 13.065 1.547 ( -2.331 -1.592 1.483) 3.188 2.159 ( 4.744 10.012 5.252) 12.261 2.568 ( -4.745 8.418 -4.525) 10.670 2.650 ( -2.872 15.879 4.190) 16.671 2.893 ( 0.931 -2.842 0.491) 3.031 3.211 ( 9.307 3.941 0.386) 10.114 3.498 ( 5.103 10.335 -6.743) 13.354 3.553 ( -9.610 8.886 -5.667) 14.263 3.807 ( -9.905 6.671 2.871) 12.282 4.574 ( -13.536 -10.724 17.317) 24.456 4.610 ( 6.137 -10.737 -0.749) 12.390 4.883 ( -5.179 -4.614 15.983) 17.423 5.321 ( -3.855 -7.135 7.657) 11.153 5.652 ( 9.691 -3.192 -18.726) 21.325 6.195 ( -2.443 -4.403 8.443) 9.830 6.474 ( -2.497 0.943 6.667) 7.182 6.688 ( 0.436 0.258 -3.835) 3.868 8.980 ( -1.524 3.978 0.955) 4.365 9.005 ( -1.264 4.505 2.784) 5.444 9.820 ( 0.506 3.924 -0.060) 3.957 10.181 ( 0.723 0.320 -0.798) 1.123 ======================= Grid point 108 (48/205) ======================= q-point: (-0.22 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.685 ( 1.275 6.477 6.871) 9.528 0.903 ( -6.825 4.168 26.171) 27.366 1.080 ( 5.770 10.538 7.204) 14.009 1.547 ( -1.242 -1.433 0.002) 1.897 2.049 ( -5.792 12.213 4.048) 14.111 2.337 ( -4.121 12.908 -4.470) 14.268 2.525 ( 6.591 12.398 3.999) 14.600 2.953 ( -0.104 -2.788 1.164) 3.023 3.230 ( 1.574 4.969 -2.058) 5.604 3.273 ( -6.017 6.219 -7.198) 11.256 3.446 ( 13.956 10.521 -7.347) 18.959 3.648 ( -8.097 4.220 3.349) 9.725 4.651 ( -15.976 -11.109 15.493) 24.873 4.799 ( 1.960 -9.510 1.827) 9.880 5.048 ( -5.671 -11.586 19.846) 23.670 5.438 ( -4.790 -7.587 12.736) 15.580 5.666 ( 10.286 -2.067 -18.434) 21.211 6.285 ( -6.194 -5.723 11.249) 14.059 6.486 ( -3.165 -0.109 6.019) 6.802 6.667 ( 1.530 -0.055 -2.529) 2.956 8.911 ( -1.325 5.318 1.757) 5.755 8.948 ( -1.506 5.280 2.591) 6.071 9.768 ( -0.151 4.798 0.093) 4.801 10.156 ( -0.392 1.774 -3.192) 3.672 ======================= Grid point 109 (49/205) ======================= q-point: (-0.11 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.603 ( -1.758 11.688 7.926) 14.231 0.952 ( -4.844 4.426 18.424) 19.558 1.179 ( 5.793 4.745 18.345) 19.814 1.557 ( 0.497 -1.462 -0.860) 1.767 1.855 ( -6.625 6.931 0.973) 9.637 2.138 ( 3.660 12.010 -2.889) 12.883 2.529 ( 10.148 11.861 5.229) 16.463 2.915 ( -4.414 1.102 -5.539) 7.168 3.127 ( -3.108 0.226 -0.696) 3.193 3.192 ( 5.611 4.386 -7.759) 10.532 3.462 ( 13.446 9.557 -4.420) 17.078 3.566 ( -3.527 2.295 5.947) 7.285 4.675 ( -17.203 -9.767 12.017) 23.146 4.891 ( -4.641 -6.084 2.355) 8.006 5.286 ( -3.390 -13.467 9.856) 17.029 5.567 ( -12.789 -11.003 16.924) 23.897 5.685 ( 9.830 -1.499 -14.274) 17.396 6.298 ( -12.354 -2.782 4.940) 13.593 6.475 ( -4.241 0.756 6.647) 7.921 6.739 ( -1.182 -6.263 9.911) 11.784 8.860 ( 0.277 4.446 0.841) 4.533 8.910 ( 5.114 3.719 0.908) 6.388 9.707 ( 0.187 4.757 -0.295) 4.770 10.079 ( -0.352 4.588 -4.700) 6.577 ======================= Grid point 113 (50/205) ======================= q-point: ( 0.33 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.819 ( -10.367 -0.000 -3.814) 11.046 1.074 ( -5.656 -0.000 -0.397) 5.670 1.170 ( 7.181 0.000 -1.280) 7.294 1.590 ( -2.794 -0.000 4.620) 5.399 2.369 ( 4.896 0.000 1.746) 5.198 2.650 ( 3.787 0.000 -6.840) 7.819 2.779 ( 6.063 0.000 -0.259) 6.068 3.008 ( 15.844 0.000 2.570) 16.051 3.440 ( -3.232 -0.000 0.794) 3.328 3.484 ( 9.363 0.000 7.265) 11.851 3.747 ( 12.026 0.000 1.944) 12.182 3.868 ( 5.708 0.000 1.253) 5.843 4.285 ( -10.240 -0.000 3.295) 10.757 4.469 ( -14.138 -0.000 4.842) 14.944 4.967 ( -16.401 -0.000 13.920) 21.512 5.211 ( -7.955 -0.000 0.584) 7.977 5.589 ( 7.573 0.000 -19.155) 20.597 6.052 ( -3.359 -0.000 6.093) 6.958 6.490 ( -2.536 -0.000 4.278) 4.973 6.774 ( -3.458 -0.000 -0.614) 3.512 9.055 ( 3.187 0.000 2.188) 3.866 9.162 ( -0.743 -0.000 -2.924) 3.017 9.834 ( 5.709 0.000 -1.565) 5.919 10.103 ( 4.210 0.000 0.355) 4.225 ======================= Grid point 114 (51/205) ======================= q-point: (-0.56 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.672 ( -7.392 0.806 0.087) 7.436 1.018 ( -6.507 1.329 7.309) 9.875 1.244 ( 6.522 -0.188 -2.583) 7.017 1.576 ( -4.192 1.156 4.722) 6.419 2.393 ( 7.125 8.368 1.641) 11.112 2.678 ( 0.902 -4.865 -1.935) 5.313 2.796 ( -0.692 1.834 -0.507) 2.025 3.203 ( 12.501 3.771 2.033) 13.214 3.315 ( 0.517 12.445 0.967) 12.493 3.663 ( 7.532 0.331 3.183) 8.183 3.896 ( 5.217 0.496 0.856) 5.309 4.018 ( 7.729 -9.169 -3.183) 12.407 4.160 ( -7.890 0.339 0.196) 7.900 4.328 ( -13.300 -1.638 5.189) 14.370 4.881 ( -14.073 1.529 15.793) 21.209 5.136 ( -8.277 -2.931 3.629) 9.501 5.554 ( 8.816 -2.224 -19.447) 21.468 6.064 ( -3.175 -1.288 5.697) 6.647 6.492 ( -2.643 0.411 5.431) 6.054 6.727 ( -1.852 0.170 -2.218) 2.894 9.093 ( 1.759 1.943 2.240) 3.448 9.124 ( -0.886 1.631 -0.808) 2.024 9.881 ( 3.743 0.684 -0.927) 3.916 10.155 ( 3.035 -0.214 0.386) 3.067 ======================= Grid point 115 (52/205) ======================= q-point: (-0.44 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.658 ( -0.311 0.390 10.973) 10.984 0.985 ( -6.517 2.983 12.636) 14.528 1.287 ( 4.374 1.888 -2.562) 5.410 1.538 ( -4.079 0.784 3.211) 5.250 2.397 ( 6.898 8.837 3.075) 11.625 2.716 ( -4.600 4.118 -1.507) 6.355 2.749 ( 0.575 -4.304 2.768) 5.149 3.100 ( -2.382 13.910 0.166) 14.113 3.354 ( 14.485 7.744 0.184) 16.426 3.705 ( 7.266 6.669 -3.087) 10.334 3.780 ( -11.554 9.076 -1.712) 14.792 3.971 ( -7.349 5.468 -1.342) 9.258 4.284 ( 2.366 -13.080 0.216) 13.294 4.350 ( -1.712 -10.104 5.202) 11.493 4.827 ( -11.429 -0.222 14.975) 18.839 5.148 ( -5.407 -6.139 7.897) 11.371 5.564 ( 10.299 -3.656 -18.876) 21.811 6.096 ( -2.994 -3.213 5.703) 7.198 6.496 ( -3.079 0.715 6.457) 7.189 6.691 ( -0.130 0.046 -3.293) 3.296 9.078 ( 0.070 3.390 0.728) 3.468 9.102 ( -0.082 2.974 2.682) 4.006 9.895 ( 1.760 2.056 -0.337) 2.727 10.185 ( 1.277 0.056 -0.011) 1.278 ======================= Grid point 116 (53/205) ======================= q-point: (-0.33 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.766 ( 1.435 0.894 10.577) 10.711 1.002 ( -2.950 3.827 20.170) 20.741 1.266 ( 1.181 4.553 -0.329) 4.715 1.517 ( -2.081 -0.935 1.215) 2.584 2.349 ( -3.267 11.113 4.749) 12.519 2.588 ( 0.271 7.221 -3.274) 7.933 2.808 ( -1.213 2.919 5.156) 6.048 2.934 ( 1.998 8.132 0.220) 8.377 3.392 ( 2.095 7.969 -2.171) 8.521 3.471 ( -5.436 10.086 -6.194) 13.025 3.678 ( 4.903 6.739 -3.285) 8.958 3.796 ( -2.249 8.511 -1.030) 8.863 4.416 ( -8.061 -8.893 9.069) 15.043 4.528 ( 2.061 -12.408 1.009) 12.618 4.843 ( -8.761 -5.837 13.222) 16.901 5.257 ( -2.853 -7.108 10.684) 13.146 5.601 ( 11.247 -3.248 -18.238) 21.671 6.152 ( -3.861 -4.901 6.433) 8.962 6.496 ( -3.544 0.654 6.656) 7.569 6.671 ( 1.298 0.112 -3.519) 3.753 9.040 ( 0.319 4.767 1.658) 5.057 9.071 ( -1.259 4.363 2.978) 5.430 9.873 ( 0.341 3.488 0.142) 3.507 10.183 ( -0.298 0.648 -1.047) 1.267 ======================= Grid point 117 (54/205) ======================= q-point: (-0.22 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.796 ( -1.521 3.387 6.249) 7.269 1.077 ( -3.580 6.113 15.061) 16.643 1.264 ( 2.537 2.053 10.432) 10.930 1.521 ( -0.183 -1.406 -0.429) 1.481 2.119 ( -11.895 13.234 4.150) 18.272 2.469 ( 3.504 13.209 -3.566) 14.123 2.765 ( 3.755 7.283 4.607) 9.400 2.935 ( -1.077 0.587 -0.465) 1.311 3.160 ( -8.111 3.666 -3.932) 9.731 3.383 ( 8.960 10.370 -8.264) 16.003 3.589 ( -7.485 2.377 3.132) 8.455 3.760 ( 16.009 11.255 -3.201) 19.830 4.459 ( -12.640 -7.213 11.332) 18.445 4.678 ( -4.462 -11.215 2.230) 12.275 4.964 ( -4.304 -11.420 11.785) 16.965 5.383 ( -4.578 -6.057 11.203) 13.533 5.642 ( 11.481 -2.203 -16.641) 20.337 6.199 ( -6.268 -4.687 5.581) 9.613 6.491 ( -4.118 0.558 6.289) 7.538 6.676 ( 2.271 -0.608 -0.702) 2.453 8.989 ( -0.570 5.728 1.502) 5.949 9.021 ( -0.119 4.817 2.847) 5.596 9.825 ( -0.121 4.479 0.226) 4.486 10.147 ( -1.022 1.579 -2.242) 2.927 ======================= Grid point 118 (55/205) ======================= q-point: (-0.11 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.776 ( 1.249 6.484 6.915) 9.561 1.008 ( -9.672 3.219 9.414) 13.876 1.381 ( 3.151 2.019 9.326) 10.048 1.537 ( -0.324 -1.802 0.217) 1.844 1.859 ( -9.018 9.052 2.349) 12.992 2.348 ( 7.194 11.894 -1.781) 14.014 2.798 ( 3.525 2.210 4.199) 5.911 2.836 ( -3.126 3.967 -2.600) 5.680 3.090 ( 0.607 0.341 -3.554) 3.622 3.301 ( 8.867 10.325 -7.792) 15.683 3.538 ( -4.571 -0.501 7.405) 8.717 3.813 ( 16.960 12.240 -2.145) 21.026 4.457 ( -14.565 -6.717 11.014) 19.456 4.729 ( -10.179 -9.073 4.066) 14.229 5.153 ( -3.661 -13.009 7.820) 15.614 5.444 ( -7.966 -3.780 9.035) 12.624 5.684 ( 9.929 -1.281 -13.666) 16.940 6.178 ( -7.273 -1.255 2.253) 7.717 6.483 ( -4.152 0.114 6.579) 7.780 6.736 ( 0.561 -3.148 4.415) 5.451 8.917 ( -1.266 4.844 1.033) 5.112 9.014 ( 3.749 2.338 0.932) 4.516 9.770 ( 0.628 4.718 -0.302) 4.769 10.091 ( -0.472 2.703 -2.532) 3.734 ======================= Grid point 123 (56/205) ======================= q-point: ( 0.44 -0.56 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.662 ( -2.707 -0.000 13.082) 13.359 1.024 ( -5.237 -0.000 11.158) 12.326 1.296 ( 5.817 0.000 -3.596) 6.839 1.553 ( -5.611 -0.000 3.477) 6.601 2.543 ( 5.780 0.000 1.903) 6.086 2.658 ( 1.926 0.000 1.810) 2.643 2.767 ( -4.734 -0.000 -0.120) 4.735 3.281 ( -1.724 -0.000 -2.189) 2.786 3.507 ( 12.517 0.000 1.984) 12.673 3.822 ( 4.741 0.000 6.428) 7.987 3.952 ( -2.290 -0.000 -0.876) 2.452 3.975 ( 2.918 0.000 -7.649) 8.187 4.083 ( 1.426 0.000 -2.111) 2.547 4.183 ( -9.785 -0.000 2.861) 10.194 4.833 ( -14.109 -0.000 13.755) 19.705 5.066 ( -6.198 -0.000 9.428) 11.283 5.509 ( 10.508 0.000 -19.384) 22.049 6.054 ( -3.042 -0.000 4.571) 5.490 6.505 ( -3.070 -0.000 6.337) 7.041 6.692 ( -0.468 -0.000 -3.017) 3.053 9.123 ( -0.191 -0.000 0.422) 0.463 9.139 ( 0.254 0.000 2.941) 2.952 9.920 ( 2.347 0.000 -0.528) 2.406 10.186 ( 1.507 0.000 0.196) 1.520 ======================= Grid point 125 (57/205) ======================= q-point: (-0.44 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.765 ( -1.322 -0.387 14.441) 14.507 1.074 ( -0.978 1.704 16.349) 16.467 1.325 ( 2.879 0.831 -3.439) 4.561 1.503 ( -4.557 -0.230 1.916) 4.949 2.561 ( -0.629 5.932 2.718) 6.555 2.700 ( -0.934 2.160 -0.276) 2.370 2.745 ( 2.051 -3.556 4.499) 6.090 3.193 ( -0.848 6.957 -3.492) 7.830 3.588 ( 1.516 6.884 0.033) 7.049 3.731 ( -7.041 6.378 -1.848) 9.678 3.795 ( -8.512 6.619 1.151) 10.844 4.007 ( 8.414 7.701 -4.599) 12.299 4.165 ( 4.329 -11.538 -2.042) 12.491 4.232 ( -1.610 -10.321 2.313) 10.699 4.760 ( -13.255 -1.344 12.660) 18.379 5.124 ( -1.975 -2.988 12.353) 12.862 5.522 ( 11.905 -2.416 -18.158) 21.847 6.064 ( -2.584 -1.964 4.022) 5.168 6.510 ( -3.729 0.363 6.615) 7.603 6.671 ( 1.053 -0.053 -3.277) 3.442 9.125 ( 0.906 1.896 1.728) 2.720 9.147 ( -1.274 1.634 3.200) 3.812 9.931 ( 0.851 1.213 0.038) 1.482 10.192 ( -0.318 0.156 -0.263) 0.441 ======================= Grid point 126 (58/205) ======================= q-point: (-0.33 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.820 ( -3.871 -0.357 8.026) 8.918 1.204 ( 1.751 3.626 15.736) 16.243 1.296 ( -0.674 0.835 1.500) 1.845 1.491 ( -0.419 -0.911 0.720) 1.235 2.415 ( -9.569 9.458 3.083) 13.803 2.696 ( 5.040 5.098 0.028) 7.169 2.831 ( -0.089 -1.596 4.046) 4.351 3.058 ( -0.005 9.201 -2.783) 9.612 3.328 ( -14.075 9.483 -3.814) 17.395 3.619 ( -7.436 4.026 -1.306) 8.556 3.654 ( 2.829 6.592 -1.264) 7.284 4.000 ( 10.973 6.883 -4.425) 13.688 4.312 ( -2.054 -5.198 3.939) 6.838 4.364 ( -1.348 -13.252 1.436) 13.397 4.751 ( -9.684 -5.421 12.842) 16.973 5.253 ( -0.270 -4.204 11.111) 11.883 5.576 ( 12.370 -2.973 -16.694) 20.989 6.095 ( -2.891 -3.316 4.049) 5.979 6.504 ( -4.280 0.463 6.052) 7.427 6.669 ( 2.200 -0.189 -2.654) 3.452 9.112 ( -1.816 3.690 2.571) 4.850 9.125 ( 0.519 3.457 2.951) 4.575 9.913 ( -0.337 2.572 0.672) 2.679 10.171 ( -1.623 0.466 -0.940) 1.933 ======================= Grid point 127 (59/205) ======================= q-point: (-0.22 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.830 ( -2.739 -0.578 5.323) 6.015 1.140 ( -7.476 5.227 2.015) 9.342 1.404 ( 3.442 0.454 10.524) 11.082 1.509 ( 0.786 -0.433 0.347) 0.962 2.162 ( -12.399 13.484 5.134) 19.023 2.645 ( 3.399 10.893 -2.043) 11.592 2.832 ( -4.281 0.781 0.746) 4.415 2.913 ( -4.982 4.431 -2.226) 7.029 3.121 ( -0.316 3.021 -2.881) 4.186 3.508 ( -4.154 0.400 -0.142) 4.176 3.592 ( 3.616 8.321 -0.576) 9.092 4.043 ( 10.740 4.191 -3.545) 12.061 4.343 ( -5.873 -2.698 5.759) 8.656 4.483 ( -5.505 -8.535 5.563) 11.580 4.850 ( -5.514 -10.851 10.061) 15.792 5.365 ( -1.547 -2.794 8.601) 9.175 5.641 ( 11.720 -2.273 -14.673) 18.917 6.121 ( -3.771 -2.725 3.300) 5.704 6.487 ( -4.571 0.183 5.226) 6.945 6.692 ( 2.339 -0.961 -0.781) 2.646 9.043 ( -3.496 4.756 2.314) 6.340 9.108 ( 1.279 4.793 2.600) 5.600 9.873 ( -0.887 3.528 0.780) 3.720 10.131 ( -1.738 0.797 -1.269) 2.294 ======================= Grid point 128 (60/205) ======================= q-point: (-0.11 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.857 ( -1.415 -1.678 4.645) 5.137 0.976 ( -9.050 5.123 1.721) 10.541 1.465 ( 0.706 1.582 0.131) 1.737 1.514 ( -2.001 0.020 1.508) 2.505 1.893 ( -9.400 11.155 4.507) 15.268 2.546 ( 4.567 8.993 -1.875) 10.259 2.723 ( -5.131 -0.659 -2.157) 5.605 2.884 ( -1.934 -0.352 3.871) 4.342 3.093 ( 2.926 1.041 -6.319) 7.041 3.498 ( 3.174 1.441 -0.127) 3.488 3.557 ( 2.134 5.347 5.649) 8.066 4.098 ( 8.850 3.517 -3.110) 10.018 4.330 ( -7.252 -1.181 6.897) 10.078 4.535 ( -7.153 -5.029 7.827) 11.735 4.988 ( -7.433 -12.127 7.661) 16.156 5.411 ( -2.988 -0.292 5.837) 6.563 5.693 ( 10.066 -0.989 -12.946) 16.428 6.114 ( -3.694 -0.632 2.180) 4.336 6.470 ( -4.464 -0.587 4.752) 6.546 6.735 ( 0.817 -2.210 1.092) 2.597 8.959 ( -2.697 4.246 1.622) 5.285 9.087 ( 1.191 3.625 1.634) 4.151 9.823 ( -0.373 3.445 -0.032) 3.465 10.095 ( -0.598 1.241 -0.783) 1.585 ======================= Grid point 134 (61/205) ======================= q-point: (-0.44 -0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.812 ( -4.878 -0.000 9.319) 10.519 1.248 ( 4.051 0.000 18.048) 18.497 1.306 ( -2.785 -0.000 -3.526) 4.494 1.480 ( -0.034 -0.000 1.356) 1.356 2.538 ( -7.807 -0.000 0.047) 7.807 2.768 ( 4.243 0.000 1.822) 4.618 2.781 ( 1.821 0.000 5.438) 5.735 3.202 ( 2.059 0.000 -7.089) 7.382 3.552 ( -16.304 -0.000 4.549) 16.927 3.553 ( -14.832 -0.000 -1.948) 14.959 3.863 ( 1.775 0.000 -2.103) 2.752 3.985 ( -9.996 -0.000 -4.898) 11.132 4.190 ( 5.304 0.000 3.270) 6.231 4.236 ( 16.994 0.000 -4.570) 17.598 4.694 ( -12.473 -0.000 15.164) 19.635 5.198 ( 1.193 0.000 11.488) 11.550 5.530 ( 13.016 0.000 -16.647) 21.131 6.053 ( -1.477 -0.000 3.114) 3.447 6.510 ( -4.385 -0.000 5.889) 7.343 6.666 ( 2.069 0.000 -2.950) 3.603 9.156 ( -2.853 -0.000 3.450) 4.477 9.172 ( 2.044 0.000 2.417) 3.166 9.946 ( -0.229 -0.000 0.867) 0.897 10.175 ( -1.982 -0.000 -0.580) 2.065 ======================= Grid point 135 (62/205) ======================= q-point: (-0.33 -0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.809 ( -4.372 -0.645 5.159) 6.793 1.215 ( -6.441 1.154 -2.005) 6.844 1.418 ( 3.057 0.518 12.438) 12.819 1.507 ( 2.158 0.064 0.946) 2.357 2.406 ( -8.112 5.182 1.002) 9.678 2.804 ( 2.074 1.928 1.641) 3.272 2.834 ( -1.368 0.197 2.056) 2.477 3.106 ( -4.953 8.736 -3.768) 10.726 3.264 ( -7.574 7.918 -4.825) 11.972 3.457 ( -14.100 -5.332 5.229) 15.955 3.729 ( -6.086 3.921 -4.753) 8.661 3.936 ( -7.508 -9.578 -1.750) 12.295 4.305 ( 6.134 0.321 3.631) 7.135 4.420 ( 15.510 -0.113 -2.440) 15.701 4.676 ( -12.158 -2.727 16.345) 20.553 5.313 ( 2.458 -1.212 8.770) 9.188 5.586 ( 13.011 -1.653 -14.857) 19.818 6.071 ( -1.038 -1.148 3.050) 3.420 6.491 ( -4.842 0.120 4.438) 6.569 6.676 ( 2.362 -0.365 -2.444) 3.419 9.126 ( -4.375 1.863 3.462) 5.882 9.207 ( 2.516 2.459 2.523) 4.329 9.938 ( -1.347 1.586 1.999) 2.885 10.137 ( -2.970 -0.123 -0.926) 3.114 ======================= Grid point 136 (63/205) ======================= q-point: (-0.22 -0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.808 ( -2.794 -1.814 2.638) 4.250 1.080 ( -9.241 2.954 -1.026) 9.756 1.482 ( -1.297 0.584 2.279) 2.686 1.536 ( 1.729 0.816 0.946) 2.133 2.214 ( -9.976 11.875 4.522) 16.155 2.718 ( -11.700 3.133 -2.236) 12.316 2.784 ( 1.937 6.288 -1.655) 6.785 2.909 ( -5.587 3.760 2.830) 7.305 3.136 ( 1.978 3.076 -7.380) 8.236 3.435 ( -4.914 -4.166 4.871) 8.076 3.609 ( -8.860 -4.290 -2.154) 10.077 3.964 ( -6.452 -9.492 1.368) 11.558 4.376 ( 5.667 4.038 2.685) 7.458 4.564 ( 7.448 3.916 6.537) 10.656 4.722 ( -7.370 -8.533 9.851) 14.973 5.406 ( 1.304 -0.034 6.062) 6.201 5.658 ( 11.887 -1.663 -13.034) 17.719 6.093 ( -1.201 -0.825 2.747) 3.110 6.458 ( -5.002 -0.337 3.256) 5.978 6.696 ( 1.739 -1.110 -1.691) 2.668 9.057 ( -5.270 3.337 3.106) 6.968 9.210 ( 2.018 5.076 2.401) 5.966 9.900 ( -2.632 2.984 1.949) 4.431 10.101 ( -2.256 -0.713 -0.306) 2.386 ======================= Grid point 137 (64/205) ======================= q-point: (-0.11 -0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.816 ( -3.469 -2.111 2.123) 4.582 0.902 ( -10.224 2.134 -1.788) 10.596 1.406 ( -6.522 -0.145 -7.417) 9.877 1.543 ( 0.800 2.752 1.697) 3.331 1.955 ( -9.761 12.362 4.992) 16.523 2.557 ( -6.516 -0.593 -2.795) 7.114 2.739 ( 3.312 4.116 1.270) 5.433 2.869 ( -4.096 -0.759 3.495) 5.437 3.077 ( 1.656 1.252 -8.024) 8.289 3.481 ( -0.289 -4.002 0.025) 4.013 3.580 ( -8.722 -7.670 5.258) 12.749 4.012 ( -7.212 -9.102 3.107) 12.022 4.403 ( 6.824 7.204 2.378) 10.203 4.632 ( -0.193 4.832 14.025) 14.836 4.812 ( -4.823 -8.475 3.716) 10.435 5.438 ( -0.720 1.784 4.154) 4.578 5.716 ( 10.363 -0.490 -12.296) 16.088 6.100 ( -1.053 0.213 2.172) 2.423 6.430 ( -4.800 -1.297 3.332) 5.985 6.718 ( 0.476 -1.829 -0.986) 2.131 8.975 ( -4.315 2.981 2.556) 5.834 9.172 ( 0.450 6.399 2.068) 6.740 9.838 ( -2.816 2.189 0.332) 3.582 10.095 ( -0.403 -0.372 1.158) 1.282 ======================= Grid point 144 (65/205) ======================= q-point: (-0.33 -0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.784 ( -2.977 -0.000 1.919) 3.542 1.116 ( -8.086 -0.000 -1.198) 8.174 1.492 ( -2.207 -0.000 2.956) 3.689 1.545 ( 2.198 0.000 0.956) 2.397 2.360 ( -5.000 -0.000 0.418) 5.017 2.759 ( -9.071 -0.000 0.337) 9.077 2.867 ( 1.841 0.000 -0.517) 1.912 3.060 ( -16.857 -0.000 4.954) 17.569 3.222 ( -0.711 -0.000 -9.754) 9.779 3.281 ( -5.320 -0.000 2.989) 6.102 3.511 ( -17.266 -0.000 -4.387) 17.815 3.824 ( -5.215 -0.000 4.993) 7.220 4.449 ( 8.836 0.000 3.878) 9.650 4.587 ( 13.562 0.000 -5.932) 14.802 4.637 ( -11.898 -0.000 20.421) 23.634 5.407 ( 3.359 0.000 6.274) 7.117 5.632 ( 12.966 0.000 -13.272) 18.554 6.082 ( -0.075 -0.000 2.891) 2.892 6.454 ( -5.194 -0.000 2.515) 5.771 6.681 ( 1.848 0.000 -2.453) 3.071 9.102 ( -5.811 -0.000 3.762) 6.922 9.279 ( 3.185 0.000 2.172) 3.855 9.950 ( -2.323 -0.000 4.325) 4.909 10.080 ( -4.099 -0.000 -1.361) 4.319 ======================= Grid point 145 (66/205) ======================= q-point: (-0.22 -0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.764 ( -2.791 -1.313 0.094) 3.086 0.979 ( -10.900 2.402 -0.476) 11.171 1.406 ( -8.094 0.050 -7.154) 10.803 1.575 ( 1.629 0.341 1.062) 1.974 2.259 ( -6.822 8.013 1.476) 10.626 2.581 ( -14.503 3.861 0.739) 15.027 2.851 ( -15.188 -0.557 6.794) 16.648 2.857 ( 2.524 3.818 -3.209) 5.590 3.130 ( 2.182 3.000 -10.502) 11.138 3.285 ( -13.477 -12.381 -1.140) 18.336 3.386 ( -2.021 -3.409 2.172) 4.519 3.827 ( -7.649 -4.766 7.895) 11.981 4.561 ( 8.578 4.182 3.529) 10.175 4.610 ( -15.399 -3.142 21.737) 26.823 4.755 ( 13.772 0.888 -3.935) 14.351 5.477 ( 1.895 1.092 4.180) 4.718 5.698 ( 11.903 -0.631 -12.222) 17.072 6.103 ( 0.041 0.052 2.172) 2.173 6.406 ( -5.262 -0.554 2.010) 5.660 6.686 ( 1.074 -0.702 -2.066) 2.432 9.039 ( -6.649 1.746 3.744) 7.828 9.314 ( 3.034 3.624 1.946) 5.111 9.918 ( -4.545 4.317 3.613) 7.235 10.047 ( -2.843 -3.505 0.982) 4.619 ======================= Grid point 146 (67/205) ======================= q-point: (-0.11 -0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.730 ( -9.855 -1.599 -0.197) 9.986 0.789 ( -8.579 2.219 0.719) 8.891 1.198 ( -12.043 -0.830 -13.173) 17.867 1.595 ( 1.316 1.059 1.281) 2.120 2.017 ( -10.052 12.220 3.681) 16.246 2.411 ( -11.030 -3.094 -0.196) 11.458 2.775 ( -9.245 -3.587 0.664) 9.938 2.841 ( 3.269 1.642 2.152) 4.244 3.056 ( 0.787 1.507 -6.193) 6.422 3.270 ( -7.855 -12.241 -4.810) 15.319 3.465 ( -1.173 -6.145 4.041) 7.448 3.850 ( -9.663 -6.507 7.653) 13.939 4.629 ( 1.262 3.082 9.750) 10.303 4.649 ( -9.806 -0.394 23.563) 25.525 4.855 ( 11.238 3.118 -5.580) 12.929 5.489 ( -0.624 2.834 3.180) 4.305 5.749 ( 10.553 -0.043 -12.775) 16.570 6.115 ( 0.363 0.199 1.028) 1.108 6.376 ( -4.912 -1.611 4.031) 6.555 6.694 ( 0.420 -1.206 -1.405) 1.898 8.962 ( -5.786 1.704 3.394) 6.921 9.285 ( 0.608 8.179 2.206) 8.493 9.817 ( -5.414 2.729 0.806) 6.116 10.089 ( -0.536 -2.851 3.625) 4.643 ======================= Grid point 154 (68/205) ======================= q-point: (-0.22 -0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.705 ( -5.675 -0.000 0.561) 5.702 0.844 ( -13.468 -0.000 0.586) 13.481 1.186 ( -12.986 -0.000 -13.516) 18.743 1.600 ( 0.773 0.000 1.251) 1.470 2.208 ( -9.403 -0.000 -3.551) 10.051 2.464 ( -12.297 -0.000 2.157) 12.485 2.612 ( -24.166 -0.000 8.446) 25.599 2.893 ( 4.154 0.000 -4.630) 6.220 3.031 ( -8.428 -0.000 0.942) 8.480 3.131 ( 5.512 0.000 -12.203) 13.390 3.375 ( -1.163 -0.000 3.624) 3.806 3.763 ( -8.903 -0.000 9.348) 12.909 4.581 ( -16.909 -0.000 31.882) 36.088 4.732 ( 8.261 0.000 4.278) 9.303 4.888 ( 11.504 0.000 -4.763) 12.451 5.529 ( 0.536 0.000 2.976) 3.024 5.745 ( 10.998 0.000 -12.556) 16.692 6.116 ( 0.364 0.000 -0.099) 0.378 6.355 ( -5.293 -0.000 3.896) 6.572 6.679 ( 0.776 0.000 -1.575) 1.756 8.989 ( -7.518 -0.000 4.020) 8.525 9.396 ( 4.075 0.000 1.249) 4.262 9.939 ( -4.475 -0.000 -2.260) 5.013 9.976 ( -4.338 -0.000 10.334) 11.207 ======================= Grid point 155 (69/205) ======================= q-point: (-0.11 -0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.582 ( -16.195 4.396 3.102) 17.065 0.691 ( -11.021 -3.122 4.901) 12.459 0.896 ( -15.773 -1.650 -14.042) 21.183 1.618 ( 0.310 -0.325 1.192) 1.274 2.008 ( -11.129 3.819 -2.543) 12.037 2.239 ( -14.127 4.066 3.131) 15.030 2.516 ( -16.358 -11.810 2.262) 20.302 2.917 ( 5.382 0.440 -1.315) 5.557 3.008 ( -1.321 -2.705 0.316) 3.027 3.117 ( 4.067 -1.321 -8.750) 9.739 3.393 ( -3.088 -4.268 0.234) 5.273 3.732 ( -9.549 -2.686 7.776) 12.604 4.698 ( -13.696 0.403 48.375) 50.278 4.841 ( 7.286 3.550 4.254) 9.153 4.975 ( 6.882 1.722 0.390) 7.105 5.532 ( -1.479 2.352 2.991) 4.082 5.773 ( 9.827 -0.116 -14.583) 17.585 6.118 ( 1.109 -1.086 -1.671) 2.281 6.342 ( -4.908 -1.005 7.953) 9.400 6.681 ( 0.756 -0.466 -1.166) 1.466 8.922 ( -6.858 0.356 3.737) 7.818 9.417 ( 2.596 7.269 1.393) 7.843 9.799 ( -6.662 6.594 0.868) 9.414 10.068 ( -1.254 -5.679 7.698) 9.648 ======================= Grid point 164 (70/205) ======================= q-point: (-0.11 -0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.467 ( -17.772 -0.000 3.560) 18.125 0.517 ( -16.172 -0.000 -0.335) 16.176 0.587 ( -20.330 -0.000 14.852) 25.177 1.621 ( -0.762 -0.000 1.359) 1.558 1.836 ( -9.294 -0.000 -4.829) 10.474 2.150 ( -18.750 -0.000 4.538) 19.292 2.248 ( -6.898 -0.000 1.151) 6.993 2.961 ( 7.602 0.000 -6.890) 10.260 3.022 ( 2.282 0.000 2.942) 3.723 3.112 ( 2.462 0.000 -2.768) 3.704 3.292 ( -6.551 -0.000 -2.845) 7.142 3.656 ( -8.452 -0.000 5.603) 10.141 4.945 ( 6.869 0.000 1.378) 7.006 4.970 ( 4.261 0.000 4.250) 6.018 5.334 ( 9.681 0.000 89.411) 89.934 5.557 ( -1.853 -0.000 7.577) 7.800 5.766 ( 8.779 0.000 -16.931) 19.071 6.096 ( 0.864 0.000 -3.013) 3.134 6.351 ( -4.793 -0.000 11.230) 12.209 6.680 ( 1.028 0.000 -1.884) 2.146 8.864 ( -6.525 -0.000 3.337) 7.328 9.523 ( 5.119 0.000 -0.969) 5.210 9.810 ( -2.423 -0.000 -1.785) 3.010 10.061 ( -2.532 -0.000 8.043) 8.432 ======================= Grid point 165 (71/205) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.466 ( -1.514 -0.000 14.118) 14.199 0.818 ( 5.517 0.000 15.681) 16.623 1.424 ( -6.476 -0.000 17.482) 18.643 1.574 ( -1.101 -0.000 -2.818) 3.025 1.697 ( 5.295 0.000 -2.236) 5.748 1.894 ( -5.877 -0.000 -0.440) 5.893 2.286 ( -2.933 -0.000 10.655) 11.052 2.844 ( 11.212 0.000 -12.678) 16.925 2.850 ( -1.768 -0.000 -5.380) 5.663 3.191 ( -3.609 -0.000 1.152) 3.788 3.202 ( 1.687 0.000 1.790) 2.459 3.659 ( -0.775 -0.000 7.361) 7.401 4.924 ( 2.545 0.000 -1.772) 3.101 5.104 ( -5.976 -0.000 5.393) 8.050 5.399 ( 8.376 0.000 -14.063) 16.368 5.590 ( -4.922 -0.000 4.190) 6.464 6.058 ( 2.905 0.000 -2.201) 3.645 6.363 ( -5.385 -0.000 -13.075) 14.141 6.606 ( -3.305 -0.000 7.683) 8.364 7.675 ( 12.127 0.000 -8.767) 14.963 8.819 ( -4.163 -0.000 2.429) 4.820 8.918 ( -27.572 -0.000 1.949) 27.641 9.607 ( -1.799 -0.000 -0.072) 1.801 9.791 ( 3.107 0.000 -0.413) 3.134 ======================= Grid point 166 (72/205) ======================= q-point: ( 0.11 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.632 ( 3.839 -3.795 12.989) 14.066 1.047 ( 7.816 -5.051 8.197) 12.402 1.414 ( -8.183 1.216 5.911) 10.168 1.552 ( 1.147 -0.088 -2.232) 2.511 1.779 ( 5.415 -0.753 -1.125) 5.581 1.903 ( 4.078 -5.797 -0.360) 7.096 2.366 ( 0.446 -7.311 4.017) 8.354 2.842 ( 4.256 1.579 0.608) 4.580 2.892 ( 6.805 -2.192 -10.623) 12.805 3.156 ( -2.267 1.073 1.936) 3.168 3.279 ( 5.331 -4.426 3.203) 7.633 3.721 ( -0.378 0.203 8.950) 8.960 4.903 ( -3.005 2.998 0.627) 4.291 5.047 ( -7.480 1.623 5.294) 9.306 5.393 ( 8.135 0.992 -12.894) 15.278 5.544 ( -5.554 1.559 4.050) 7.048 6.019 ( -3.238 7.295 -1.932) 8.212 6.185 ( -8.664 -3.475 -7.902) 12.230 6.617 ( -3.795 0.152 6.629) 7.640 7.422 ( -20.382 13.657 1.943) 24.611 8.815 ( -1.697 -1.797 2.600) 3.588 8.838 ( 4.716 -2.575 1.869) 5.689 9.605 ( -0.388 -2.235 -0.725) 2.381 9.864 ( 3.454 -4.431 -1.304) 5.768 ======================= Grid point 167 (73/205) ======================= q-point: ( 0.22 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.815 ( 3.360 -3.518 9.631) 10.790 1.166 ( -2.916 1.265 3.378) 4.639 1.324 ( -5.297 -2.020 -3.167) 6.494 1.564 ( 2.323 0.234 -1.034) 2.553 1.806 ( -0.024 1.038 2.314) 2.536 2.120 ( 12.323 -8.059 1.664) 14.818 2.542 ( 4.406 -14.064 -3.465) 15.140 2.866 ( 4.828 -1.736 -14.591) 15.467 2.953 ( 5.849 1.391 12.133) 13.541 3.137 ( 0.784 1.830 1.057) 2.254 3.511 ( 10.736 -10.594 3.986) 15.601 3.765 ( -1.593 1.488 7.573) 7.881 4.778 ( -10.025 6.497 4.631) 12.812 4.956 ( -7.986 3.572 3.714) 9.504 5.378 ( 5.965 2.039 -9.324) 11.255 5.486 ( -3.935 1.911 2.786) 5.186 5.793 ( -14.091 6.110 2.577) 15.573 6.128 ( -2.294 -1.967 -2.794) 4.116 6.608 ( -4.242 0.501 5.424) 6.904 7.081 ( -13.599 9.868 4.993) 17.528 8.854 ( 0.287 -2.365 2.421) 3.397 8.966 ( 7.471 -1.972 -0.091) 7.727 9.641 ( 0.920 -4.128 -0.834) 4.311 9.947 ( 3.103 -4.168 -1.796) 5.498 ======================= Grid point 168 (74/205) ======================= q-point: ( 0.33 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.926 ( -0.632 -1.633 2.707) 3.224 1.054 ( -6.430 5.604 2.741) 8.959 1.278 ( -4.307 -4.748 -6.103) 8.851 1.571 ( 0.785 1.948 0.685) 2.209 1.822 ( -1.689 -1.123 5.708) 6.057 2.358 ( 9.557 -5.225 -0.186) 10.894 2.707 ( 3.035 -5.967 0.549) 6.717 2.827 ( 1.866 -2.685 -10.716) 11.204 3.078 ( 2.486 5.043 5.299) 7.726 3.264 ( 12.925 -9.729 3.900) 16.641 3.753 ( -2.209 2.740 5.164) 6.250 3.828 ( 11.596 -12.145 -0.124) 16.792 4.592 ( -12.306 7.116 7.061) 15.872 4.806 ( -9.164 6.569 2.668) 11.587 5.351 ( 1.000 2.650 -1.610) 3.258 5.438 ( -3.304 1.517 1.517) 3.939 5.622 ( -10.152 1.202 5.385) 11.555 6.103 ( -0.678 -0.031 -1.886) 2.004 6.586 ( -4.261 0.770 4.850) 6.502 6.889 ( -6.353 6.060 1.115) 8.850 8.907 ( 0.352 -2.091 2.546) 3.313 9.054 ( 2.988 -1.283 0.825) 3.355 9.709 ( 1.982 -4.399 -0.927) 4.913 10.016 ( 2.726 -3.130 -1.132) 4.302 ======================= Grid point 169 (75/205) ======================= q-point: (-0.56 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.849 ( -5.752 2.683 -2.683) 6.891 0.963 ( -5.423 2.923 0.298) 6.168 1.240 ( -4.876 -2.531 -0.549) 5.521 1.562 ( -0.608 1.042 3.142) 3.366 1.875 ( -2.020 -2.730 7.005) 7.785 2.474 ( 4.249 -1.371 -2.586) 5.160 2.767 ( 3.070 0.671 -0.413) 3.170 2.853 ( 3.227 -4.125 -2.538) 5.820 3.045 ( -2.547 5.235 2.901) 6.505 3.529 ( 4.772 -1.722 -1.103) 5.192 3.751 ( 2.694 -1.536 4.499) 5.464 4.075 ( 7.630 -7.298 -2.678) 10.893 4.422 ( -9.625 4.454 5.228) 11.824 4.653 ( -4.264 3.972 1.623) 6.049 5.321 ( -8.790 1.800 15.009) 17.486 5.398 ( -0.366 -0.548 -3.047) 3.118 5.573 ( -3.884 -1.130 2.864) 4.956 6.088 ( 1.572 0.734 -1.825) 2.518 6.561 ( -4.007 1.143 5.543) 6.934 6.770 ( -2.712 3.734 -1.971) 5.018 8.951 ( -0.444 -1.896 2.662) 3.299 9.099 ( -0.569 -2.323 2.007) 3.122 9.766 ( 1.100 -2.537 -1.159) 2.998 10.079 ( 2.597 -2.275 0.126) 3.455 ======================= Grid point 170 (76/205) ======================= q-point: (-0.44 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.742 ( -3.489 0.693 -3.873) 5.259 0.827 ( -9.074 4.038 1.466) 10.040 1.190 ( -8.626 1.859 9.138) 12.703 1.589 ( 0.602 -1.079 2.880) 3.134 1.936 ( -2.269 -2.574 6.964) 7.763 2.468 ( -0.279 2.957 -2.501) 3.883 2.802 ( 2.686 0.411 -0.308) 2.735 2.906 ( -1.920 2.136 -3.333) 4.400 2.957 ( -0.265 0.781 4.261) 4.340 3.421 ( -5.538 7.905 -5.597) 11.157 3.783 ( -4.491 6.892 4.612) 9.431 4.096 ( -7.148 4.053 0.559) 8.236 4.420 ( 6.634 -7.367 -1.573) 10.038 4.678 ( 6.104 -4.399 -0.985) 7.588 5.348 ( -13.907 -3.172 27.966) 31.393 5.402 ( 4.461 -2.546 -7.274) 8.904 5.574 ( -2.123 -1.318 3.125) 4.001 6.103 ( 4.535 1.145 -0.966) 4.776 6.545 ( -3.569 1.492 7.115) 8.099 6.694 ( -0.676 1.936 -3.389) 3.961 8.980 ( -1.769 -1.414 3.007) 3.764 9.140 ( -2.616 -5.177 2.427) 6.288 9.776 ( -0.543 -0.186 -1.223) 1.350 10.134 ( 1.938 -1.238 0.565) 2.368 ======================= Grid point 171 (77/205) ======================= q-point: (-0.33 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.663 ( -4.101 4.451 0.620) 6.084 0.703 ( -8.225 0.028 5.602) 9.952 1.148 ( -10.088 2.971 20.095) 22.680 1.628 ( 0.443 -0.941 1.128) 1.535 1.982 ( -2.796 -0.653 6.641) 7.235 2.346 ( -6.514 7.909 -1.108) 10.306 2.681 ( -11.257 5.792 -1.234) 12.720 2.885 ( 5.319 0.282 -3.308) 6.270 3.039 ( 4.148 -1.175 3.077) 5.297 3.180 ( -6.162 9.328 -5.369) 12.402 3.592 ( -9.600 10.357 0.622) 14.135 3.914 ( -9.609 5.259 -0.086) 10.954 4.612 ( 9.563 -8.156 -4.903) 13.491 4.848 ( 7.465 -6.254 2.617) 10.084 5.411 ( 3.883 -3.051 -8.043) 9.438 5.497 ( -5.658 -7.403 12.303) 15.433 5.638 ( -3.073 -5.100 18.923) 19.838 6.181 ( 8.791 1.271 6.060) 10.753 6.547 ( -3.075 1.285 8.406) 9.043 6.647 ( 0.273 0.862 -4.308) 4.402 8.983 ( -3.728 -0.285 3.507) 5.126 9.197 ( -4.801 -8.917 1.882) 10.301 9.745 ( -1.733 1.295 -0.883) 2.336 10.155 ( 0.319 0.331 -1.234) 1.317 ======================= Grid point 172 (78/205) ======================= q-point: (-0.22 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.568 ( -4.222 5.092 5.001) 8.292 0.680 ( -7.064 1.957 14.079) 15.873 1.191 ( -8.139 1.240 27.397) 28.607 1.633 ( -1.329 -0.458 -0.484) 1.487 1.920 ( -7.398 9.066 3.017) 12.084 2.172 ( -6.458 3.480 3.015) 7.931 2.433 ( -13.655 6.508 -0.826) 15.149 2.875 ( 7.204 7.058 -9.047) 13.549 3.034 ( -1.548 0.114 -1.967) 2.506 3.132 ( 2.820 -1.128 3.372) 4.538 3.341 ( -9.290 7.525 -2.831) 12.286 3.752 ( -7.308 3.494 0.147) 8.101 4.771 ( 8.262 -5.413 -4.819) 10.991 5.016 ( 3.010 -4.475 5.075) 7.406 5.415 ( 6.436 -1.808 -14.674) 16.125 5.565 ( -2.977 -3.993 4.609) 6.786 5.879 ( 0.883 -10.736 8.900) 13.974 6.464 ( 14.832 -5.411 13.447) 20.739 6.564 ( -2.728 0.821 8.586) 9.047 6.636 ( 5.307 -1.658 6.379) 8.462 8.945 ( -5.727 1.054 3.543) 6.816 9.256 ( -8.855 -13.059 -0.024) 15.779 9.697 ( -2.527 1.072 -0.186) 2.752 10.092 ( -2.889 4.081 -6.231) 7.989 ======================= Grid point 173 (79/205) ======================= q-point: (-0.11 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.489 ( -7.360 5.409 9.030) 12.844 0.695 ( -2.752 4.872 19.211) 20.010 1.319 ( -5.716 -0.098 27.235) 27.828 1.605 ( -2.086 -0.817 -2.028) 3.022 1.735 ( -2.649 7.591 -0.217) 8.043 2.041 ( -11.730 4.241 1.109) 12.522 2.272 ( -4.797 2.147 6.710) 8.523 2.827 ( 9.664 4.251 -11.085) 15.308 2.965 ( -4.148 0.560 -9.124) 10.038 3.181 ( 0.009 0.361 2.113) 2.144 3.210 ( -2.140 0.763 2.619) 3.468 3.656 ( -4.068 1.564 2.752) 5.155 4.876 ( 5.850 -2.383 -3.510) 7.226 5.103 ( -2.352 -2.189 5.594) 6.451 5.404 ( 7.750 -0.846 -14.994) 16.900 5.598 ( -3.529 -2.089 4.329) 5.962 6.011 ( 2.902 -4.417 -1.954) 5.635 6.493 ( -0.222 -0.219 -11.800) 11.804 6.585 ( -3.092 0.288 8.397) 8.953 7.225 ( 32.343 -14.721 13.577) 38.041 8.876 ( -6.145 1.411 3.024) 6.993 9.239 ( -21.463 -13.882 -5.375) 26.121 9.653 ( -4.396 -0.343 0.455) 4.433 9.880 ( -3.546 11.375 -6.527) 13.585 ======================= Grid point 175 (80/205) ======================= q-point: ( 0.11 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.782 ( 7.351 0.000 8.708) 11.395 1.137 ( 4.353 0.000 0.157) 4.355 1.359 ( -7.698 -0.000 3.167) 8.324 1.556 ( 1.763 0.000 -0.529) 1.840 1.926 ( 14.926 0.000 -0.720) 14.943 1.937 ( 10.851 0.000 -1.129) 10.909 2.318 ( 0.524 0.000 -1.652) 1.733 2.844 ( 5.484 0.000 -15.253) 16.209 2.977 ( 3.973 0.000 10.738) 11.449 3.199 ( 3.696 0.000 2.823) 4.651 3.341 ( 5.329 0.000 5.803) 7.879 3.786 ( -0.636 -0.000 7.725) 7.751 4.871 ( -7.763 -0.000 3.112) 8.363 4.989 ( -9.357 -0.000 5.569) 10.888 5.405 ( 7.905 0.000 -12.255) 14.583 5.507 ( -6.041 -0.000 3.494) 6.979 5.888 ( -20.080 -0.000 -1.300) 20.122 6.088 ( 1.125 0.000 -0.540) 1.248 6.615 ( -4.296 -0.000 5.737) 7.167 7.225 ( -20.697 -0.000 2.873) 20.895 8.828 ( 1.801 0.000 2.773) 3.306 8.945 ( 11.957 0.000 -2.570) 12.230 9.587 ( 1.095 0.000 -1.104) 1.555 9.884 ( 4.105 0.000 -0.222) 4.111 ======================= Grid point 176 (81/205) ======================= q-point: ( 0.22 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.916 ( 5.642 0.371 4.270) 7.085 1.131 ( -2.510 -0.837 -6.228) 6.767 1.264 ( -6.314 3.661 3.034) 7.904 1.588 ( 1.663 -0.351 1.513) 2.276 1.960 ( 9.735 11.569 1.347) 15.180 2.245 ( 17.978 -5.909 0.969) 18.949 2.411 ( 5.998 -12.730 -3.522) 14.506 2.797 ( 3.113 -0.597 -10.931) 11.382 3.122 ( 6.989 -1.960 8.215) 10.963 3.233 ( 4.597 6.362 2.649) 8.284 3.536 ( 7.578 -9.784 4.803) 13.275 3.813 ( -1.590 1.321 4.489) 4.942 4.749 ( -12.349 4.620 6.574) 14.733 4.901 ( -9.897 1.158 4.478) 10.925 5.394 ( 4.823 1.286 -9.698) 10.907 5.457 ( -4.976 -0.235 1.733) 5.274 5.643 ( -18.920 0.519 6.055) 19.872 6.099 ( 0.192 -0.184 0.128) 0.295 6.599 ( -4.395 0.283 4.923) 6.605 7.013 ( -11.654 3.134 0.838) 12.097 8.888 ( 3.276 0.055 3.481) 4.780 9.052 ( 7.946 0.492 -2.764) 8.428 9.622 ( 3.548 -2.172 -1.097) 4.302 9.947 ( 4.013 -1.934 -0.499) 4.482 ======================= Grid point 177 (82/205) ======================= q-point: ( 0.33 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.959 ( -0.254 4.196 -1.819) 4.580 1.016 ( -3.769 1.101 -3.829) 5.484 1.204 ( -2.765 0.623 4.109) 4.991 1.612 ( 0.159 1.661 2.825) 3.281 1.948 ( 6.322 9.425 4.496) 12.207 2.454 ( 12.045 -0.178 -2.558) 12.315 2.672 ( 7.554 -11.605 -1.360) 13.914 2.779 ( 3.739 0.099 -3.516) 5.134 3.201 ( 1.008 7.045 2.270) 7.470 3.364 ( 12.528 -6.966 5.139) 15.228 3.776 ( -0.666 -1.569 0.145) 1.711 3.813 ( 8.453 -8.837 -0.592) 12.243 4.569 ( -13.647 6.406 7.935) 17.036 4.772 ( -10.072 3.901 3.454) 11.340 5.354 ( -0.953 0.827 -2.612) 2.901 5.394 ( -7.489 0.171 1.941) 7.739 5.519 ( -10.329 -2.819 5.999) 12.273 6.102 ( 0.477 0.398 0.507) 0.802 6.580 ( -3.785 0.416 4.984) 6.272 6.860 ( -6.021 3.130 -1.921) 7.052 8.948 ( 2.823 1.263 3.563) 4.718 9.092 ( 2.576 1.107 -0.680) 2.885 9.700 ( 4.669 -2.596 -1.047) 5.444 10.020 ( 3.859 -2.230 -0.180) 4.460 ======================= Grid point 178 (83/205) ======================= q-point: (-0.56 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.800 ( -7.561 3.562 -3.075) 8.906 0.983 ( 3.570 6.236 -0.486) 7.203 1.215 ( -3.659 0.144 7.700) 8.526 1.601 ( -1.077 2.321 3.729) 4.523 1.971 ( 4.989 5.789 6.382) 9.956 2.544 ( 8.349 3.141 -3.181) 9.471 2.765 ( 2.310 -3.621 -3.665) 5.647 2.889 ( 7.049 -1.148 3.283) 7.860 3.103 ( -4.529 8.471 2.549) 9.938 3.551 ( 1.565 1.346 -3.325) 3.913 3.802 ( 6.510 -3.658 1.598) 7.636 4.041 ( 7.345 -9.036 -4.596) 12.519 4.385 ( -11.122 4.463 4.914) 12.953 4.641 ( -6.075 1.896 2.652) 6.894 5.302 ( -14.832 -0.618 16.895) 22.491 5.345 ( 1.791 -2.188 -7.617) 8.125 5.506 ( -5.682 -3.995 4.253) 8.145 6.117 ( 1.969 0.151 0.726) 2.105 6.573 ( -3.105 0.669 6.120) 6.895 6.749 ( -2.808 2.336 -3.668) 5.177 8.983 ( 1.650 1.805 3.114) 3.960 9.094 ( -0.728 0.673 1.496) 1.795 9.767 ( 3.426 -0.786 -1.012) 3.658 10.093 ( 3.320 -1.869 0.463) 3.838 ======================= Grid point 179 (84/205) ======================= q-point: (-0.44 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.688 ( -4.367 1.735 3.641) 5.945 0.932 ( 5.528 11.426 0.794) 12.718 1.213 ( -7.417 2.133 14.355) 16.298 1.602 ( -1.068 -0.412 2.707) 2.939 2.024 ( 4.710 4.448 6.964) 9.511 2.537 ( 4.110 7.148 -2.824) 8.715 2.825 ( 1.777 -1.671 0.925) 2.608 2.888 ( -6.739 7.840 -1.257) 10.415 3.028 ( 4.883 0.808 3.704) 6.182 3.411 ( -2.856 8.200 -8.277) 11.996 3.831 ( -6.242 7.287 1.851) 9.772 4.038 ( -7.332 3.662 -2.198) 8.485 4.392 ( 6.714 -8.684 -2.284) 11.212 4.673 ( 3.317 -6.935 1.553) 7.843 5.291 ( -12.093 -5.246 15.058) 20.012 5.358 ( 1.189 -3.722 -3.183) 5.040 5.534 ( -5.156 -4.535 7.858) 10.435 6.173 ( 4.255 -1.393 2.775) 5.267 6.578 ( -2.885 1.041 7.422) 8.031 6.674 ( -0.785 1.306 -4.455) 4.708 8.997 ( 0.176 1.629 2.728) 3.182 9.086 ( -3.010 -0.365 3.035) 4.290 9.787 ( 1.761 1.573 -0.790) 2.489 10.147 ( 1.854 -0.815 0.004) 2.025 ======================= Grid point 180 (85/205) ======================= q-point: (-0.33 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.692 ( -0.348 2.468 8.208) 8.578 0.875 ( 7.657 13.755 5.077) 16.541 1.223 ( -8.573 1.385 21.453) 23.144 1.608 ( -2.148 -1.434 0.273) 2.597 2.077 ( 3.125 5.487 7.580) 9.866 2.421 ( -0.870 12.407 -1.345) 12.510 2.615 ( -11.860 9.997 -0.638) 15.525 2.916 ( 3.445 -2.468 0.565) 4.276 3.117 ( 4.638 0.155 1.968) 5.041 3.201 ( 0.838 10.675 -9.113) 14.061 3.563 ( -13.599 10.288 -3.246) 17.359 3.868 ( -7.601 5.695 0.167) 9.499 4.588 ( 8.831 -9.213 -3.929) 13.353 4.850 ( 3.239 -8.982 3.620) 10.212 5.332 ( 0.149 -5.924 -4.856) 7.661 5.416 ( -4.007 -6.296 6.439) 9.857 5.628 ( -5.029 -8.012 14.317) 17.160 6.320 ( 5.901 -5.675 7.820) 11.322 6.588 ( -2.857 1.023 7.841) 8.408 6.628 ( 0.463 0.459 -2.802) 2.876 8.986 ( -1.885 2.089 2.668) 3.878 9.069 ( -6.111 -1.661 3.870) 7.422 9.766 ( 0.465 3.379 -0.328) 3.427 10.150 ( -0.075 1.175 -2.394) 2.668 ======================= Grid point 181 (86/205) ======================= q-point: (-0.22 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.685 ( -0.005 7.599 5.806) 9.563 0.897 ( 8.018 11.447 12.559) 18.789 1.305 ( -6.450 -0.966 23.976) 24.847 1.583 ( -2.917 -1.097 -1.838) 3.618 2.015 ( -5.084 12.710 5.913) 14.912 2.239 ( -5.400 11.353 0.188) 12.573 2.384 ( -2.834 7.673 1.903) 8.399 2.962 ( 2.001 1.108 -2.773) 3.594 3.016 ( 2.427 7.372 -11.029) 13.486 3.200 ( 5.408 2.105 1.717) 6.052 3.276 ( -9.366 5.094 -3.018) 11.081 3.729 ( -5.698 4.324 2.760) 7.667 4.762 ( 6.725 -6.912 -3.205) 10.162 4.991 ( -2.270 -7.063 5.143) 9.027 5.358 ( 6.539 -3.319 -13.322) 15.207 5.492 ( -4.811 -6.328 6.577) 10.317 5.803 ( -1.830 -11.261 8.010) 13.940 6.461 ( 0.206 -3.629 -8.099) 8.877 6.598 ( -3.314 0.744 7.743) 8.455 6.779 ( 7.002 -14.110 18.813) 24.536 8.937 ( -3.940 3.136 2.730) 5.728 9.019 ( -10.857 -1.954 4.248) 11.821 9.717 ( -0.547 4.143 0.112) 4.181 10.073 ( -1.225 4.785 -5.719) 7.557 ======================= Grid point 182 (87/205) ======================= q-point: (-0.11 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.620 ( -2.456 9.543 11.140) 14.873 0.961 ( 7.839 9.749 11.559) 17.032 1.413 ( -6.145 -1.135 16.792) 17.917 1.554 ( -0.242 -1.215 -2.815) 3.075 1.832 ( -2.844 10.570 2.506) 11.229 2.007 ( -6.521 8.543 -0.821) 10.778 2.375 ( 3.814 7.118 8.527) 11.744 2.865 ( -2.352 2.156 -8.444) 9.027 2.924 ( 7.793 5.018 -10.550) 14.043 3.178 ( -3.706 -1.004 0.298) 3.851 3.245 ( 4.843 3.883 2.340) 6.633 3.678 ( -2.335 1.604 6.846) 7.409 4.868 ( 2.005 -4.518 -1.590) 5.192 5.051 ( -5.508 -4.470 5.305) 8.858 5.377 ( 7.936 -1.899 -13.597) 15.857 5.541 ( -4.956 -4.071 5.098) 8.193 5.946 ( -0.289 -8.782 0.406) 8.797 6.369 ( -4.180 0.022 -11.603) 12.333 6.608 ( -3.514 0.178 7.324) 8.125 7.248 ( 0.657 -25.941 10.753) 28.089 8.864 ( -4.336 3.185 3.127) 6.223 8.903 ( -11.472 1.731 3.993) 12.270 9.657 ( -1.094 3.818 -0.016) 3.972 9.939 ( 0.753 7.720 -5.146) 9.309 ======================= Grid point 185 (88/205) ======================= q-point: ( 0.22 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.010 ( 5.229 0.000 1.113) 5.346 1.024 ( -5.548 -0.000 -6.553) 8.587 1.232 ( -6.698 -0.000 4.756) 8.215 1.626 ( 1.154 0.000 3.693) 3.869 2.266 ( 5.073 0.000 1.464) 5.280 2.331 ( 17.471 0.000 -1.371) 17.525 2.457 ( 16.208 0.000 -1.829) 16.311 2.777 ( 4.824 0.000 -4.834) 6.829 3.252 ( 8.493 0.000 5.258) 9.989 3.378 ( 6.986 0.000 -0.471) 7.002 3.568 ( 3.915 0.000 4.828) 6.216 3.820 ( -1.251 -0.000 0.096) 1.254 4.669 ( -14.140 -0.000 8.191) 16.341 4.812 ( -10.815 -0.000 4.560) 11.737 5.374 ( 4.177 0.000 -12.938) 13.596 5.389 ( -8.403 -0.000 3.889) 9.259 5.474 ( -16.508 -0.000 10.155) 19.382 6.107 ( -0.061 -0.000 1.525) 1.526 6.584 ( -3.842 -0.000 4.748) 6.108 6.902 ( -7.645 -0.000 -1.999) 7.902 8.973 ( 4.041 0.000 4.631) 6.147 9.113 ( 4.346 0.000 -2.765) 5.151 9.663 ( 6.142 0.000 -1.118) 6.243 9.989 ( 4.559 0.000 -0.046) 4.559 ======================= Grid point 186 (89/205) ======================= q-point: ( 0.33 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.886 ( -8.503 2.523 -0.964) 8.922 1.070 ( 5.150 1.262 -0.238) 5.308 1.205 ( -4.468 -0.535 7.082) 8.391 1.656 ( -0.604 1.271 3.946) 4.189 2.221 ( 7.467 12.762 2.239) 14.955 2.568 ( 9.080 -5.865 -4.623) 11.757 2.647 ( 9.940 -1.643 -0.517) 10.088 2.873 ( 11.070 -0.303 3.041) 11.484 3.331 ( 2.147 9.294 1.122) 9.604 3.470 ( 9.694 -4.310 2.468) 10.892 3.718 ( 4.040 -8.015 -1.559) 9.110 3.811 ( 4.696 -2.886 -4.284) 6.981 4.518 ( -15.044 4.396 7.788) 17.501 4.696 ( -11.606 1.095 4.088) 12.353 5.302 ( -11.209 0.350 6.514) 12.969 5.311 ( 0.352 -0.321 -8.593) 8.606 5.404 ( -9.612 -3.434 7.572) 12.709 6.117 ( -0.300 -0.029 1.675) 1.702 6.581 ( -2.809 0.087 5.436) 6.120 6.794 ( -4.602 1.071 -3.719) 6.013 9.043 ( 2.991 2.063 4.573) 5.841 9.125 ( 1.070 1.030 -0.714) 1.648 9.743 ( 6.295 -0.786 -1.011) 6.424 10.055 ( 4.556 -0.965 0.337) 4.669 ======================= Grid point 187 (90/205) ======================= q-point: (-0.56 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.769 ( -5.812 4.068 7.265) 10.154 1.108 ( 4.133 3.107 1.627) 5.420 1.233 ( -3.309 -0.928 8.984) 9.619 1.636 ( -2.422 2.549 2.555) 4.346 2.205 ( 8.052 10.026 4.319) 13.565 2.677 ( 7.910 1.221 -3.282) 8.650 2.728 ( 2.400 -2.150 0.723) 3.302 3.036 ( 10.658 2.772 3.581) 11.581 3.190 ( -3.621 12.084 1.294) 12.681 3.554 ( 1.135 3.054 -5.854) 6.699 3.849 ( 8.480 -5.130 -0.056) 9.911 3.979 ( 7.454 -9.219 -6.035) 13.304 4.321 ( -12.602 3.734 4.178) 13.792 4.578 ( -9.533 -0.840 4.128) 10.422 5.217 ( -10.572 -0.897 7.349) 12.907 5.276 ( -1.091 -2.838 -3.885) 4.934 5.412 ( -7.070 -5.012 7.961) 11.768 6.135 ( 0.310 -1.404 1.397) 2.005 6.594 ( -2.363 0.303 6.587) 7.005 6.705 ( -2.267 1.105 -4.408) 5.079 9.065 ( 1.464 3.492 2.868) 4.750 9.118 ( -0.354 1.752 2.633) 3.182 9.810 ( 4.537 0.310 -0.846) 4.626 10.124 ( 3.472 -0.929 0.454) 3.622 ======================= Grid point 188 (91/205) ======================= q-point: (-0.44 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.769 ( -0.022 3.794 13.170) 13.705 1.127 ( 4.179 5.160 3.475) 7.494 1.264 ( -4.788 1.374 12.541) 13.494 1.591 ( -2.943 0.780 0.848) 3.160 2.240 ( 8.217 8.008 5.575) 12.756 2.654 ( 0.887 7.004 -2.469) 7.479 2.824 ( 2.490 -4.764 2.641) 5.989 2.953 ( -4.636 16.040 0.758) 16.714 3.154 ( 7.623 3.037 1.989) 8.443 3.439 ( 3.548 8.373 -8.976) 12.777 3.812 ( -12.165 8.867 -2.079) 15.196 3.993 ( -3.798 3.048 -1.258) 5.029 4.341 ( 5.877 -10.194 -1.963) 11.929 4.606 ( -1.690 -9.785 4.448) 10.881 5.181 ( -8.448 -4.280 6.696) 11.598 5.294 ( 0.390 -4.754 -2.492) 5.382 5.466 ( -6.376 -5.749 10.649) 13.679 6.194 ( 1.314 -4.521 2.305) 5.242 6.609 ( -2.778 0.684 7.110) 7.664 6.644 ( -0.445 0.708 -3.782) 3.873 9.051 ( -0.052 3.386 2.364) 4.130 9.109 ( -1.080 3.056 4.324) 5.404 9.835 ( 2.612 2.086 -0.536) 3.386 10.163 ( 1.559 0.075 -0.492) 1.636 ======================= Grid point 189 (92/205) ======================= q-point: (-0.33 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.828 ( 1.039 4.709 10.245) 11.323 1.159 ( 7.720 7.339 5.149) 11.830 1.291 ( -7.073 0.391 18.692) 19.989 1.555 ( -2.791 -0.821 -1.180) 3.139 2.278 ( 4.455 9.108 7.128) 12.394 2.498 ( -6.604 8.965 -2.644) 11.445 2.707 ( -0.908 17.248 1.798) 17.365 2.925 ( 1.642 -3.239 2.459) 4.385 3.173 ( 4.185 5.034 -6.772) 9.419 3.357 ( 10.030 9.952 -3.385) 14.529 3.463 ( -14.899 9.974 -5.069) 18.632 3.859 ( -7.458 5.891 2.575) 9.847 4.544 ( 6.958 -10.726 -2.757) 13.080 4.762 ( -2.864 -11.281 5.634) 12.931 5.210 ( -3.806 -7.400 1.824) 8.520 5.353 ( 1.533 -4.771 -1.388) 5.200 5.560 ( -5.487 -7.955 11.495) 15.018 6.301 ( 0.016 -7.569 0.999) 7.635 6.617 ( -2.928 0.480 6.331) 6.992 6.632 ( 0.665 -0.947 2.236) 2.517 9.018 ( -1.502 3.890 2.985) 5.128 9.076 ( -2.446 4.329 4.376) 6.623 9.819 ( 0.979 3.755 -0.069) 3.881 10.149 ( -0.027 1.886 -2.571) 3.189 ======================= Grid point 190 (93/205) ======================= q-point: (-0.22 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.827 ( -1.083 6.588 8.409) 10.738 1.192 ( 3.743 7.569 6.747) 10.808 1.377 ( -3.673 -1.297 16.473) 16.927 1.525 ( -0.991 -1.053 -2.582) 2.960 2.161 ( -9.893 14.563 7.663) 19.201 2.269 ( -3.320 12.016 -2.029) 12.630 2.609 ( 8.858 11.282 5.084) 15.218 2.933 ( -3.162 2.307 -4.086) 5.658 3.073 ( 5.268 7.158 -11.377) 14.437 3.168 ( -7.260 1.768 -4.579) 8.764 3.407 ( 11.538 9.093 2.843) 14.963 3.741 ( -6.045 3.617 5.967) 9.232 4.706 ( 1.268 -8.710 -1.158) 8.877 4.880 ( -4.781 -9.366 5.386) 11.814 5.278 ( 1.672 -7.032 -4.739) 8.643 5.417 ( -0.744 -4.539 1.793) 4.936 5.690 ( -4.089 -10.242 7.439) 13.302 6.331 ( -3.226 -3.807 -6.794) 8.430 6.616 ( -3.872 0.420 6.445) 7.530 6.773 ( -0.063 -10.972 12.361) 16.529 8.963 ( -2.524 4.985 3.740) 6.724 9.008 ( -3.127 5.611 3.466) 7.299 9.770 ( -0.240 4.922 0.189) 4.932 10.082 ( -0.033 4.060 -4.394) 5.983 ======================= Grid point 191 (94/205) ======================= q-point: (-0.11 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.792 ( -1.448 7.591 11.216) 13.621 1.179 ( -1.709 3.999 5.831) 7.274 1.417 ( -4.141 1.501 4.495) 6.293 1.534 ( 2.493 -1.575 -2.261) 3.716 1.901 ( -9.673 10.032 3.834) 14.454 2.122 ( 4.177 11.903 1.776) 12.739 2.650 ( 8.954 13.039 4.248) 16.378 2.818 ( -0.521 -0.064 -1.209) 1.318 2.964 ( 4.247 4.248 -13.213) 14.514 3.121 ( -1.258 -1.296 -0.121) 1.810 3.464 ( 11.680 9.956 3.556) 15.754 3.719 ( -2.962 0.279 8.269) 8.788 4.772 ( -6.100 -7.312 2.054) 9.741 4.951 ( -5.424 -6.479 3.879) 9.298 5.339 ( 5.358 -4.036 -8.652) 10.948 5.468 ( -3.075 -4.070 3.545) 6.212 5.795 ( -6.226 -9.857 3.126) 12.070 6.238 ( -4.889 0.526 -6.786) 8.380 6.612 ( -4.046 -0.185 5.907) 7.162 7.000 ( -7.745 -15.841 10.681) 20.616 8.896 ( -2.524 4.748 3.022) 6.168 8.942 ( 1.429 5.450 2.470) 6.152 9.702 ( -0.431 5.160 -0.215) 5.182 9.998 ( 1.559 5.190 -3.859) 6.653 ======================= Grid point 195 (95/205) ======================= q-point: ( 0.33 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( -7.047 -0.000 9.037) 11.460 1.141 ( 5.324 0.000 -0.295) 5.332 1.203 ( -4.812 -0.000 9.620) 10.757 1.672 ( -2.473 -0.000 2.338) 3.403 2.406 ( 5.513 0.000 1.769) 5.790 2.572 ( 5.796 0.000 -0.778) 5.848 2.766 ( 6.369 0.000 -0.750) 6.413 3.081 ( 14.748 0.000 4.864) 15.530 3.436 ( -2.351 -0.000 -1.058) 2.578 3.548 ( 9.498 0.000 0.701) 9.524 3.735 ( 10.635 0.000 -2.321) 10.885 3.808 ( 6.919 0.000 -7.692) 10.346 4.403 ( -16.483 -0.000 6.507) 17.720 4.570 ( -13.932 -0.000 4.310) 14.583 5.227 ( -11.889 -0.000 9.367) 15.135 5.233 ( 4.244 0.000 -16.302) 16.845 5.332 ( -10.759 -0.000 14.027) 17.678 6.116 ( -1.335 -0.000 1.079) 1.716 6.596 ( -2.071 -0.000 6.304) 6.636 6.720 ( -2.947 -0.000 -4.378) 5.277 9.127 ( 1.711 0.000 5.049) 5.331 9.133 ( -0.101 -0.000 0.337) 0.352 9.811 ( 5.813 0.000 -0.906) 5.883 10.111 ( 4.243 0.000 0.482) 4.270 ======================= Grid point 196 (96/205) ======================= q-point: (-0.56 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.855 ( -2.405 2.460 15.895) 16.263 1.191 ( 1.549 1.629 4.468) 5.001 1.245 ( -1.845 -2.200 7.839) 8.348 1.628 ( -4.012 1.181 -0.348) 4.197 2.444 ( 7.110 7.320 3.504) 10.790 2.689 ( 4.060 -5.171 2.863) 7.171 2.778 ( -0.507 2.475 -1.319) 2.850 3.232 ( 3.499 3.121 -0.295) 4.699 3.335 ( 5.515 11.966 1.718) 13.287 3.618 ( 8.846 6.352 -4.869) 11.929 3.891 ( 6.937 -2.929 -1.887) 7.763 3.921 ( 8.191 -8.391 -5.732) 13.052 4.217 ( -13.937 1.455 3.745) 14.504 4.440 ( -13.337 -3.429 5.081) 14.678 5.140 ( -8.655 0.210 4.282) 9.659 5.191 ( 2.039 -2.744 -8.719) 9.365 5.349 ( -8.195 -3.299 14.568) 17.037 6.112 ( -1.214 -1.860 0.110) 2.224 6.620 ( -2.351 0.211 6.895) 7.288 6.658 ( -1.196 0.327 -4.013) 4.200 9.126 ( -0.182 1.999 2.032) 2.857 9.170 ( 0.306 1.460 4.653) 4.887 9.866 ( 4.092 0.547 -0.716) 4.190 10.161 ( 2.724 -0.131 0.113) 2.730 ======================= Grid point 197 (97/205) ======================= q-point: (-0.44 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.928 ( -0.661 3.389 13.894) 14.317 1.237 ( 1.745 1.161 8.322) 8.582 1.303 ( -2.301 -0.738 8.057) 8.412 1.557 ( -3.615 0.607 -1.641) 4.016 2.481 ( 7.132 7.415 5.417) 11.627 2.678 ( -4.631 5.351 -2.427) 7.482 2.824 ( 2.481 -4.618 4.350) 6.812 3.084 ( -4.234 10.638 -2.334) 11.685 3.343 ( 10.855 10.342 -2.476) 15.196 3.610 ( 12.103 10.169 -2.524) 16.009 3.733 ( -14.822 11.085 -3.581) 18.852 3.978 ( -4.797 2.503 1.219) 5.546 4.251 ( 3.546 -12.419 -1.518) 13.005 4.468 ( -4.574 -11.992 5.522) 13.972 5.085 ( -7.958 -2.458 5.868) 10.188 5.225 ( 4.770 -5.208 -6.459) 9.570 5.411 ( -6.414 -4.414 12.417) 14.657 6.142 ( -0.689 -5.007 -0.268) 5.062 6.621 ( -0.235 0.237 -1.022) 1.075 6.637 ( -2.653 0.365 5.480) 6.099 9.113 ( -0.005 3.245 3.008) 4.425 9.174 ( -0.846 3.121 4.398) 5.459 9.888 ( 2.336 1.832 -0.336) 2.987 10.178 ( 0.783 0.617 -0.964) 1.387 ======================= Grid point 198 (98/205) ======================= q-point: (-0.33 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.946 ( -2.887 3.588 8.644) 9.794 1.299 ( -1.071 1.436 3.484) 3.917 1.364 ( 0.006 0.110 14.620) 14.621 1.507 ( -1.406 -0.360 -2.254) 2.681 2.460 ( -7.832 8.991 5.107) 12.971 2.544 ( 4.352 9.440 0.239) 10.398 2.885 ( -2.271 7.801 1.348) 8.236 2.928 ( 2.370 0.394 -0.409) 2.437 3.284 ( 3.383 10.225 -8.282) 13.587 3.349 ( -9.259 12.718 -5.930) 16.812 3.654 ( 13.323 10.208 2.489) 16.967 3.848 ( -9.081 4.743 4.886) 11.351 4.447 ( 2.761 -12.305 -1.321) 12.680 4.609 ( -4.932 -12.438 5.356) 14.412 5.097 ( -5.787 -5.807 6.609) 10.530 5.317 ( 6.236 -4.670 -5.622) 9.608 5.488 ( -4.855 -6.108 9.718) 12.462 6.195 ( -1.657 -6.234 -1.969) 6.745 6.624 ( -2.747 -0.014 4.333) 5.130 6.647 ( -0.088 -1.342 3.659) 3.898 9.088 ( -0.340 4.733 3.469) 5.878 9.140 ( -1.985 4.659 3.890) 6.386 9.876 ( 0.841 3.421 0.202) 3.529 10.151 ( -0.364 1.811 -2.446) 3.065 ======================= Grid point 199 (99/205) ======================= q-point: (-0.22 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( -2.976 3.192 8.202) 9.291 1.248 ( -7.842 2.067 4.141) 9.106 1.450 ( -0.081 0.925 5.588) 5.665 1.501 ( 1.957 -0.687 -1.519) 2.571 2.216 ( -12.532 13.307 4.524) 18.830 2.457 ( 1.907 14.192 3.157) 14.663 2.829 ( 2.856 3.557 1.189) 4.714 2.899 ( -2.422 4.362 -2.326) 5.505 3.042 ( -4.670 1.495 -8.499) 9.812 3.234 ( 10.377 12.105 -4.327) 16.521 3.709 ( 3.490 6.595 6.606) 9.966 3.763 ( 3.433 6.095 3.796) 7.959 4.566 ( -5.215 -9.181 2.244) 10.794 4.728 ( -5.037 -11.549 3.127) 12.982 5.178 ( -2.257 -7.666 5.410) 9.651 5.389 ( 3.660 -2.630 -3.453) 5.678 5.583 ( -3.567 -7.254 6.053) 10.098 6.200 ( -3.018 -3.492 -4.312) 6.316 6.610 ( -4.452 0.027 4.978) 6.679 6.736 ( -0.353 -6.146 6.079) 8.652 9.033 ( -2.250 6.012 3.088) 7.123 9.082 ( -0.899 5.554 3.417) 6.582 9.830 ( -0.207 4.876 0.308) 4.890 10.096 ( 0.060 2.814 -3.195) 4.258 ======================= Grid point 200 (100/205) ======================= q-point: (-0.11 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.926 ( -1.179 3.644 8.691) 9.497 1.124 ( -11.799 0.299 2.104) 11.989 1.422 ( -2.224 3.309 -2.984) 4.980 1.531 ( 2.262 -1.639 -1.459) 3.151 1.938 ( -10.548 11.436 5.600) 16.535 2.356 ( 5.277 11.258 1.915) 12.580 2.756 ( -2.820 2.004 -2.125) 4.060 2.918 ( 6.382 1.977 -9.701) 11.779 2.954 ( 0.066 0.209 4.878) 4.883 3.219 ( 11.557 10.574 -0.119) 15.665 3.714 ( -3.632 -0.456 8.249) 9.024 3.806 ( 13.065 10.590 1.086) 16.853 4.597 ( -10.100 -7.712 5.277) 13.760 4.797 ( -7.335 -9.172 2.211) 11.950 5.286 ( 0.571 -5.932 1.902) 6.255 5.427 ( 0.501 -2.113 -0.644) 2.265 5.646 ( -6.011 -5.488 4.400) 9.253 6.150 ( -2.853 -0.459 -3.897) 4.851 6.594 ( -4.443 -0.581 4.790) 6.560 6.846 ( -4.023 -8.073 4.750) 10.194 8.949 ( -2.336 5.267 2.359) 6.226 9.047 ( 1.462 4.458 2.611) 5.369 9.764 ( 0.044 5.326 -0.351) 5.338 10.044 ( 1.403 3.304 -2.433) 4.337 ======================= Grid point 205 (101/205) ======================= q-point: ( 0.44 -0.56 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.975 ( -2.597 -0.000 16.238) 16.444 1.266 ( 3.358 0.000 0.990) 3.501 1.269 ( -2.151 -0.000 12.426) 12.611 1.565 ( -4.530 -0.000 -2.425) 5.138 2.602 ( 5.381 0.000 4.145) 6.793 2.738 ( 3.663 0.000 5.653) 6.736 2.745 ( -3.959 -0.000 -2.244) 4.551 3.197 ( -3.440 -0.000 -6.841) 7.657 3.562 ( 9.919 0.000 3.148) 10.407 3.805 ( 13.943 0.000 -3.941) 14.490 3.902 ( 5.045 0.000 -2.644) 5.696 3.918 ( -3.358 -0.000 -1.803) 3.811 4.083 ( -7.932 -0.000 2.334) 8.269 4.270 ( -13.244 -0.000 5.181) 14.222 5.062 ( -11.970 -0.000 11.048) 16.289 5.155 ( 10.044 0.000 -16.039) 18.925 5.349 ( -7.874 -0.000 16.180) 17.994 6.077 ( -1.057 -0.000 -1.354) 1.717 6.625 ( 0.140 0.000 -2.854) 2.857 6.641 ( -3.176 -0.000 6.660) 7.378 9.155 ( 0.045 0.000 2.998) 2.999 9.214 ( -0.671 -0.000 4.451) 4.501 9.910 ( 2.910 0.000 -0.464) 2.947 10.184 ( 1.165 0.000 -0.533) 1.281 ======================= Grid point 207 (102/205) ======================= q-point: (-0.44 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.011 ( -6.637 1.532 10.975) 12.917 1.300 ( -0.195 -0.478 0.842) 0.988 1.371 ( 2.436 0.248 12.187) 12.430 1.502 ( -2.075 -0.098 -1.755) 2.719 2.603 ( -6.127 2.996 0.163) 6.822 2.712 ( 5.047 4.330 2.898) 7.254 2.840 ( 1.620 -2.931 4.475) 5.590 3.079 ( -1.570 3.532 -8.429) 9.273 3.578 ( -0.051 11.853 -1.312) 11.926 3.687 ( -7.346 11.533 -2.266) 13.861 3.847 ( -0.475 4.708 4.297) 6.391 3.965 ( 0.174 5.312 0.823) 5.378 4.121 ( 4.301 -13.236 -1.593) 14.008 4.296 ( -3.758 -11.767 4.295) 13.078 5.026 ( -8.746 -0.496 12.608) 15.352 5.200 ( 10.871 -3.494 -11.777) 16.404 5.388 ( -5.779 -2.261 11.868) 13.393 6.074 ( -0.128 -2.872 -2.119) 3.572 6.619 ( 0.992 -0.109 -0.824) 1.294 6.641 ( -4.099 0.067 5.482) 6.846 9.174 ( 0.630 1.911 3.381) 3.934 9.220 ( -1.867 1.731 4.127) 4.849 9.931 ( 1.773 1.129 0.075) 2.103 10.178 ( -0.487 0.510 -1.449) 1.611 ======================= Grid point 208 (103/205) ======================= q-point: (-0.33 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.972 ( -7.190 1.003 7.897) 10.727 1.274 ( -5.441 0.012 1.096) 5.550 1.470 ( 1.190 0.889 4.565) 4.801 1.499 ( 2.210 0.127 1.650) 2.761 2.455 ( -8.279 5.727 0.646) 10.088 2.733 ( 2.912 7.409 3.700) 8.779 2.891 ( -1.597 -0.907 2.131) 2.813 2.967 ( 1.924 3.955 -7.050) 8.309 3.234 ( -14.874 13.975 -4.637) 20.929 3.556 ( 6.807 13.209 -1.707) 14.958 3.769 ( -12.221 -0.067 8.488) 14.879 3.963 ( 8.813 5.965 0.749) 10.668 4.329 ( 3.682 -10.335 -0.744) 10.996 4.421 ( -4.546 -11.676 4.428) 13.289 5.049 ( -6.223 -2.121 13.796) 15.283 5.308 ( 9.062 -4.172 -7.937) 12.748 5.444 ( -2.732 -3.894 7.409) 8.805 6.099 ( -0.111 -3.898 -2.892) 4.855 6.613 ( -4.639 0.186 4.174) 6.243 6.652 ( 0.871 -1.694 1.362) 2.342 9.166 ( -0.973 4.309 3.123) 5.410 9.194 ( -1.499 3.247 3.857) 5.260 9.926 ( 0.593 2.837 0.715) 2.985 10.141 ( -1.143 1.036 -2.288) 2.759 ======================= Grid point 209 (104/205) ======================= q-point: (-0.22 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.947 ( -5.680 -0.895 7.160) 9.183 1.175 ( -9.834 2.294 1.371) 10.191 1.474 ( -0.446 1.454 -0.901) 1.768 1.522 ( 1.081 0.730 -0.513) 1.401 2.252 ( -10.660 11.281 3.389) 15.887 2.647 ( -0.589 10.971 1.780) 11.131 2.811 ( -9.147 4.774 -0.634) 10.338 2.931 ( -0.338 -0.402 1.170) 1.283 2.974 ( 2.823 3.304 -9.038) 10.029 3.497 ( 6.521 8.963 0.255) 11.087 3.710 ( -6.961 0.475 8.458) 10.964 4.018 ( 8.463 4.510 0.660) 9.612 4.424 ( -4.366 -5.832 3.100) 7.917 4.545 ( -1.918 -9.997 1.731) 10.325 5.136 ( -5.001 -4.820 15.144) 16.660 5.382 ( 4.885 -1.995 -5.088) 7.330 5.525 ( -0.196 -4.393 3.562) 5.659 6.109 ( -0.603 -2.475 -3.642) 4.444 6.582 ( -5.203 -0.445 4.165) 6.680 6.706 ( 0.133 -3.612 1.598) 3.952 9.091 ( -3.657 5.700 2.713) 7.295 9.167 ( -0.010 4.868 3.497) 5.994 9.884 ( -0.805 4.422 0.367) 4.509 10.101 ( -0.044 1.269 -1.957) 2.332 ======================= Grid point 210 (105/205) ======================= q-point: (-0.11 -0.56 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.955 ( -5.339 -2.816 5.054) 7.873 0.997 ( -11.112 3.926 0.611) 11.801 1.382 ( -4.916 2.897 -5.712) 8.074 1.536 ( 1.361 -0.231 0.643) 1.523 1.994 ( -10.187 11.571 5.943) 16.522 2.515 ( -0.052 7.517 -1.087) 7.595 2.732 ( -0.617 -0.445 1.191) 1.413 2.897 ( 1.698 1.806 -6.429) 6.891 2.991 ( 0.965 -1.911 2.022) 2.945 3.499 ( 6.652 5.163 0.181) 8.423 3.710 ( -1.801 0.712 7.264) 7.518 4.065 ( 7.968 5.178 -0.744) 9.532 4.438 ( -7.685 -4.619 4.718) 10.132 4.625 ( -2.967 -6.485 1.254) 7.240 5.252 ( -5.756 -4.718 15.392) 17.097 5.410 ( 1.979 -0.821 -3.296) 3.931 5.580 ( -1.444 -2.198 2.253) 3.463 6.093 ( -0.166 -0.889 -3.523) 3.637 6.562 ( -4.745 -1.103 4.735) 6.794 6.755 ( -1.631 -4.451 0.167) 4.744 8.998 ( -2.970 5.012 2.465) 6.326 9.130 ( -0.201 4.785 2.933) 5.616 9.816 ( -0.815 4.183 -0.734) 4.324 10.081 ( 1.491 1.887 -0.708) 2.507 ======================= Grid point 216 (106/205) ======================= q-point: (-0.44 -0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.986 ( -9.530 -0.000 8.538) 12.796 1.268 ( -3.905 -0.000 -0.362) 3.922 1.489 ( 3.061 0.000 6.413) 7.106 1.494 ( 1.395 0.000 0.275) 1.421 2.519 ( -7.206 -0.000 -1.688) 7.401 2.835 ( 2.894 0.000 5.003) 5.780 2.855 ( -0.302 -0.000 1.883) 1.907 3.025 ( 1.898 0.000 -10.901) 11.065 3.557 ( -14.779 -0.000 0.978) 14.812 3.636 ( -11.345 -0.000 3.042) 11.746 3.890 ( -2.560 -0.000 5.720) 6.266 3.913 ( -12.301 -0.000 -1.621) 12.408 4.153 ( 15.841 0.000 -2.784) 16.083 4.282 ( 5.598 0.000 5.679) 7.974 5.045 ( -9.050 -0.000 19.693) 21.673 5.234 ( 13.446 0.000 -13.108) 18.778 5.396 ( -2.827 -0.000 8.008) 8.493 6.046 ( 1.569 0.000 -2.995) 3.382 6.618 ( -5.544 -0.000 4.407) 7.082 6.631 ( 1.569 0.000 -0.370) 1.612 9.225 ( 1.439 0.000 3.077) 3.397 9.231 ( -3.157 -0.000 3.993) 5.090 9.962 ( 1.398 0.000 0.897) 1.661 10.153 ( -1.877 -0.000 -2.012) 2.752 ======================= Grid point 217 (107/205) ======================= q-point: (-0.33 -0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.928 ( -8.640 -0.358 7.008) 11.131 1.205 ( -6.551 0.367 1.187) 6.667 1.510 ( 0.512 1.453 -0.273) 1.565 1.533 ( 0.469 -0.223 0.117) 0.532 2.413 ( -6.196 2.468 -0.082) 6.670 2.821 ( -0.848 3.565 -1.472) 3.949 2.868 ( -5.036 -0.095 3.194) 5.964 2.970 ( 3.949 1.411 -9.868) 10.722 3.234 ( -13.106 16.744 1.923) 21.350 3.610 ( -13.652 -10.129 7.561) 18.605 3.669 ( -9.786 5.342 -0.537) 11.162 3.972 ( -3.481 -6.098 5.225) 8.752 4.336 ( 11.562 -1.414 -2.449) 11.903 4.412 ( 7.269 -0.924 4.615) 8.660 5.086 ( -10.044 0.159 23.168) 25.251 5.325 ( 11.484 -2.177 -10.234) 15.536 5.443 ( 1.245 -1.904 3.770) 4.403 6.056 ( 2.248 -1.325 -3.685) 4.515 6.574 ( -6.076 -0.188 3.637) 7.084 6.653 ( 1.128 -0.971 -0.080) 1.491 9.198 ( -4.357 2.513 3.723) 6.258 9.256 ( 1.644 1.987 2.702) 3.735 9.974 ( 0.451 2.487 1.609) 2.996 10.107 ( -2.156 -0.423 -2.236) 3.135 ======================= Grid point 218 (108/205) ======================= q-point: (-0.22 -0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.896 ( -6.762 -1.833 6.180) 9.342 1.093 ( -10.545 3.203 2.330) 11.264 1.427 ( -6.794 1.093 -4.842) 8.414 1.550 ( 2.253 0.816 0.240) 2.408 2.270 ( -8.271 8.262 1.263) 11.758 2.707 ( -11.185 7.025 0.541) 13.219 2.760 ( -1.436 2.859 -1.044) 3.365 2.937 ( 3.955 1.678 -6.945) 8.166 3.001 ( -4.513 4.493 2.400) 6.805 3.516 ( -9.151 -0.821 0.740) 9.217 3.652 ( -8.672 -9.129 6.655) 14.242 4.045 ( -2.758 -5.006 5.661) 8.044 4.416 ( 5.474 2.907 0.081) 6.198 4.553 ( 9.480 -0.410 -0.372) 9.496 5.164 ( -10.430 -2.048 27.520) 29.502 5.393 ( 7.893 -0.482 -8.035) 11.273 5.520 ( 2.912 -2.490 0.727) 3.899 6.066 ( 1.917 -1.047 -4.532) 5.031 6.535 ( -5.633 -0.965 4.353) 7.184 6.678 ( 0.344 -1.910 -0.570) 2.023 9.120 ( -5.150 4.337 3.377) 7.533 9.256 ( 1.237 4.504 2.583) 5.338 9.920 ( -2.463 4.567 -0.134) 5.191 10.096 ( 0.370 -0.883 -0.200) 0.978 ======================= Grid point 219 (109/205) ======================= q-point: (-0.11 -0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.870 ( -7.163 1.114 0.825) 7.296 0.910 ( -12.072 1.497 3.535) 12.668 1.274 ( -10.156 0.164 -1.682) 10.295 1.571 ( 1.965 0.991 1.020) 2.426 2.047 ( -9.178 10.107 4.655) 14.424 2.519 ( -6.392 2.505 -1.037) 6.943 2.759 ( 3.365 0.212 -0.330) 3.387 2.921 ( 4.094 1.827 -4.889) 6.633 2.953 ( -5.697 -1.921 3.099) 6.764 3.448 ( -7.239 -5.719 -2.588) 9.582 3.715 ( -5.783 -7.412 6.598) 11.486 4.099 ( -4.361 -4.507 3.911) 7.391 4.430 ( 5.442 5.496 -0.336) 7.741 4.642 ( 7.885 2.095 -2.052) 8.413 5.283 ( -11.649 -1.257 31.598) 33.700 5.416 ( 6.013 1.029 -7.655) 9.788 5.571 ( 1.065 -1.077 -0.078) 1.517 6.067 ( 2.440 -0.946 -4.309) 5.041 6.526 ( -4.576 -1.544 5.940) 7.655 6.695 ( -0.332 -2.260 -1.820) 2.921 9.030 ( -4.236 4.011 3.138) 6.624 9.215 ( -0.306 6.442 2.546) 6.934 9.828 ( -2.761 2.969 -1.295) 4.256 10.117 ( 1.666 0.490 0.824) 1.922 ======================= Grid point 226 (110/205) ======================= q-point: (-0.33 -0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.874 ( -7.527 -0.000 6.786) 10.135 1.134 ( -8.444 -0.000 3.207) 9.032 1.441 ( -8.011 -0.000 -5.031) 9.460 1.561 ( 2.439 0.000 0.406) 2.472 2.362 ( -4.768 -0.000 -0.131) 4.770 2.790 ( -11.044 -0.000 2.524) 11.329 2.807 ( 0.255 0.000 -5.286) 5.292 2.955 ( 4.856 0.000 -10.228) 11.322 3.254 ( -22.225 -0.000 7.822) 23.562 3.331 ( -9.004 -0.000 0.731) 9.034 3.527 ( -13.048 -0.000 5.354) 14.104 3.954 ( -3.288 -0.000 7.288) 7.995 4.487 ( 13.961 0.000 -4.230) 14.587 4.541 ( 7.750 0.000 4.983) 9.213 5.143 ( -13.238 -0.000 30.543) 33.288 5.389 ( 12.969 0.000 -11.484) 17.323 5.482 ( 3.275 0.000 1.507) 3.605 6.052 ( 3.058 0.000 -5.000) 5.861 6.522 ( -6.017 -0.000 4.099) 7.280 6.656 ( 0.696 0.000 -0.602) 0.920 9.180 ( -5.808 -0.000 4.196) 7.166 9.313 ( 2.571 0.000 1.614) 3.036 10.026 ( 1.170 0.000 3.305) 3.506 10.039 ( -3.769 -0.000 -2.977) 4.803 ======================= Grid point 227 (111/205) ======================= q-point: (-0.22 -0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.846 ( -6.244 -0.781 6.417) 8.988 1.017 ( -12.351 3.294 4.296) 13.485 1.269 ( -13.224 -0.274 -2.232) 13.414 1.590 ( 2.189 0.435 0.301) 2.252 2.254 ( -7.822 4.600 -1.167) 9.149 2.617 ( -14.382 4.691 2.364) 15.312 2.771 ( 2.603 0.403 -5.979) 6.534 2.912 ( -3.398 -0.205 -7.148) 7.917 3.012 ( -6.472 4.887 5.859) 10.005 3.268 ( -15.989 -9.277 0.948) 18.510 3.506 ( -5.455 -5.655 6.203) 10.011 3.970 ( -6.450 -3.877 5.742) 9.466 4.582 ( 11.368 4.735 -3.591) 12.828 4.682 ( 8.971 0.498 2.490) 9.324 5.255 ( -10.977 -0.866 37.214) 38.809 5.447 ( 10.606 1.022 -10.891) 15.236 5.539 ( 2.902 -1.008 0.221) 3.080 6.047 ( 2.718 -0.521 -6.146) 6.740 6.496 ( -4.833 -0.710 6.103) 7.817 6.660 ( 0.413 -0.688 -1.333) 1.556 9.117 ( -6.642 2.353 4.205) 8.206 9.342 ( 2.654 2.789 1.163) 4.022 9.928 ( -4.157 4.604 -2.003) 6.518 10.091 ( 1.033 -2.413 2.509) 3.631 ======================= Grid point 228 (112/205) ======================= q-point: (-0.11 -0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.792 ( -13.899 1.545 5.212) 14.924 0.816 ( -8.576 4.518 -0.201) 9.696 1.133 ( -13.705 -2.330 10.975) 17.712 1.613 ( 1.851 0.509 0.605) 2.013 2.068 ( -8.682 6.213 2.321) 10.926 2.416 ( -11.826 0.192 0.753) 11.851 2.756 ( -4.438 -2.257 -2.664) 5.646 2.845 ( -0.034 -3.094 -3.968) 5.032 2.998 ( 2.792 2.427 2.181) 4.295 3.203 ( -11.098 -8.754 -1.196) 14.186 3.560 ( -6.887 -8.862 3.560) 11.775 3.962 ( -9.049 -5.245 2.662) 10.793 4.616 ( 10.429 6.903 -4.580) 13.319 4.786 ( 8.636 3.536 2.083) 9.561 5.419 ( -2.596 2.239 18.130) 18.451 5.487 ( 2.719 3.618 12.293) 13.099 5.571 ( 0.938 -0.889 0.257) 1.318 6.060 ( 4.456 -2.111 -3.903) 6.288 6.510 ( -3.683 -1.184 7.838) 8.741 6.659 ( 0.342 -0.931 -2.766) 2.939 9.034 ( -5.930 2.535 3.950) 7.563 9.317 ( 0.682 7.134 1.219) 7.269 9.806 ( -4.326 3.054 -1.693) 5.559 10.141 ( 1.131 -0.907 1.017) 1.772 ======================= Grid point 236 (113/205) ======================= q-point: (-0.22 -0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.804 ( -7.479 -0.000 4.029) 8.495 0.907 ( -15.055 -0.000 5.628) 16.073 1.101 ( -15.744 -0.000 11.195) 19.318 1.619 ( 1.503 0.000 0.525) 1.592 2.132 ( -12.742 -0.000 -3.303) 13.163 2.503 ( -12.339 -0.000 2.167) 12.528 2.702 ( -18.224 -0.000 0.199) 18.225 2.761 ( 3.899 0.000 -9.960) 10.696 3.043 ( 0.144 0.000 4.227) 4.230 3.081 ( -6.840 -0.000 3.478) 7.673 3.437 ( -5.267 -0.000 1.136) 5.388 3.891 ( -7.935 -0.000 3.302) 8.595 4.709 ( 10.320 0.000 -6.464) 12.177 4.831 ( 8.051 0.000 5.613) 9.815 5.475 ( -1.752 -0.000 38.951) 38.990 5.483 ( 9.011 0.000 -13.665) 16.368 5.586 ( 1.593 0.000 8.968) 9.108 6.026 ( 2.729 0.000 -6.561) 7.106 6.494 ( -3.631 -0.000 8.099) 8.876 6.648 ( 0.550 0.000 -2.443) 2.504 9.073 ( -7.851 -0.000 4.543) 9.071 9.404 ( 3.670 0.000 -0.171) 3.673 9.885 ( -3.917 -0.000 -3.380) 5.174 10.109 ( 0.514 0.000 2.830) 2.877 ======================= Grid point 237 (114/205) ======================= q-point: (-0.11 -0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.680 ( -16.322 3.717 7.812) 18.473 0.739 ( -11.861 1.244 3.511) 12.432 1.085 ( -11.740 -1.691 25.211) 27.862 1.637 ( 0.683 0.010 0.439) 0.812 1.958 ( -12.097 -3.600 -1.473) 12.707 2.298 ( -12.740 6.356 3.047) 14.560 2.539 ( -16.456 -7.881 0.233) 18.247 2.785 ( 6.765 -4.761 -10.269) 13.187 3.058 ( -3.178 -0.442 2.694) 4.190 3.084 ( 2.683 1.433 4.018) 5.040 3.385 ( -7.537 -5.514 -2.281) 9.613 3.817 ( -8.430 -2.259 0.759) 8.760 4.759 ( 9.109 3.325 -6.198) 11.508 4.954 ( 6.400 2.235 5.530) 8.749 5.463 ( 6.846 1.253 -14.115) 15.738 5.586 ( -0.070 0.749 2.701) 2.803 5.856 ( 6.177 10.720 32.703) 34.965 6.090 ( 9.757 -6.360 9.606) 15.097 6.523 ( -3.055 -0.525 8.945) 9.466 6.632 ( 0.666 -0.290 -4.093) 4.157 9.000 ( -7.620 0.719 4.249) 8.754 9.416 ( 2.493 5.297 -1.155) 5.967 9.780 ( -4.167 4.481 -2.059) 6.456 10.123 ( -1.514 -2.118 -2.446) 3.572 ======================= Grid point 246 (115/205) ======================= q-point: (-0.11 -0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.579 ( -17.213 -0.000 7.695) 18.855 0.627 ( -12.217 -0.000 16.039) 20.162 1.172 ( -8.378 -0.000 31.003) 32.115 1.637 ( -0.694 -0.000 -0.366) 0.785 1.763 ( -8.710 -0.000 -2.115) 8.963 2.211 ( -18.648 -0.000 1.619) 18.718 2.292 ( -7.594 -0.000 4.403) 8.779 2.769 ( 8.697 0.000 -11.347) 14.297 3.054 ( -0.801 -0.000 -2.286) 2.422 3.163 ( 1.544 0.000 5.602) 5.811 3.224 ( -6.832 -0.000 -3.036) 7.477 3.707 ( -6.862 -0.000 0.059) 6.862 4.840 ( 7.645 0.000 -5.235) 9.266 5.070 ( 2.357 0.000 6.053) 6.496 5.437 ( 6.773 0.000 -15.609) 17.015 5.610 ( -1.395 -0.000 3.605) 3.866 6.023 ( 3.494 0.000 -4.202) 5.465 6.528 ( 13.443 0.000 3.050) 13.785 6.553 ( -2.934 -0.000 9.003) 9.469 6.688 ( 22.357 0.000 24.581) 33.227 8.933 ( -7.914 -0.000 3.814) 8.785 9.470 ( 2.635 0.000 -4.713) 5.400 9.774 ( -0.713 -0.000 -2.152) 2.267 9.965 ( -13.424 -0.000 -9.989) 16.733 ======================= Grid point 247 (116/205) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.725 ( -1.562 -0.000 12.224) 12.323 1.016 ( 2.316 0.000 4.349) 4.927 1.498 ( -0.292 -0.000 -2.985) 2.999 1.500 ( 1.428 0.000 -4.302) 4.533 1.717 ( -1.708 -0.000 2.419) 2.961 1.867 ( -5.425 -0.000 -2.396) 5.930 2.391 ( -6.622 -0.000 -2.497) 7.077 2.590 ( 8.686 0.000 -12.961) 15.602 2.962 ( 0.908 0.000 14.914) 14.941 3.204 ( -2.151 -0.000 -0.032) 2.151 3.275 ( 1.403 0.000 7.815) 7.940 3.779 ( 2.679 0.000 4.066) 4.869 4.908 ( 3.238 0.000 0.298) 3.251 5.149 ( 1.860 0.000 -6.674) 6.929 5.290 ( -4.773 -0.000 8.427) 9.685 5.669 ( -4.187 -0.000 3.755) 5.624 6.006 ( 4.659 0.000 -3.179) 5.640 6.122 ( -3.462 -0.000 -11.885) 12.379 6.732 ( -2.838 -0.000 6.439) 7.036 7.445 ( 8.720 0.000 -14.908) 17.271 8.869 ( -4.359 -0.000 2.681) 5.118 8.945 ( -12.247 -0.000 0.783) 12.272 9.615 ( -4.114 -0.000 1.150) 4.272 9.766 ( 4.781 0.000 -2.162) 5.247 ======================= Grid point 248 (117/205) ======================= q-point: ( 0.11 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.844 ( 1.160 -4.142 8.656) 9.666 1.095 ( 3.452 -4.086 -1.998) 5.710 1.421 ( -4.955 3.409 -2.531) 6.525 1.507 ( 4.120 0.693 -1.687) 4.506 1.789 ( 2.979 -3.481 2.002) 5.000 1.909 ( 5.755 -9.495 0.992) 11.147 2.341 ( -1.495 -5.788 -3.906) 7.141 2.601 ( 7.648 -1.318 -12.545) 14.752 3.057 ( 1.232 1.452 9.373) 9.564 3.183 ( 0.051 2.228 0.761) 2.355 3.417 ( 3.980 -4.108 12.043) 13.332 3.826 ( 1.338 0.254 0.910) 1.639 4.918 ( -0.512 2.371 1.382) 2.791 5.084 ( -2.327 2.334 -5.678) 6.565 5.300 ( -2.288 0.989 7.135) 7.558 5.633 ( -5.771 0.615 4.783) 7.521 5.940 ( -3.462 5.001 -5.976) 8.527 6.063 ( 1.339 -2.607 -4.801) 5.624 6.735 ( -4.318 0.633 6.676) 7.975 7.295 ( -5.439 6.403 -12.451) 15.020 8.872 ( -1.729 -2.042 3.387) 4.316 8.905 ( 0.234 -2.214 4.145) 4.705 9.599 ( -1.896 -2.488 0.346) 3.147 9.831 ( 4.938 -2.577 -2.197) 5.988 ======================= Grid point 249 (118/205) ======================= q-point: ( 0.22 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.935 ( -1.631 -3.227 2.052) 4.158 1.137 ( -2.707 -2.872 -2.379) 4.608 1.293 ( -4.011 3.198 -0.028) 5.130 1.549 ( 5.023 1.431 -0.137) 5.224 1.881 ( 0.283 -3.527 5.289) 6.363 2.169 ( 9.747 -8.429 3.475) 13.346 2.460 ( 6.276 -14.232 -4.735) 16.259 2.629 ( 6.875 -2.171 -9.067) 11.584 3.144 ( 4.518 -0.992 4.309) 6.321 3.162 ( 2.620 4.526 3.165) 6.113 3.625 ( 5.066 -7.205 7.199) 11.376 3.815 ( -0.424 0.975 -3.195) 3.367 4.853 ( -5.571 5.224 3.554) 8.424 4.950 ( -4.443 4.870 -5.814) 8.790 5.309 ( -1.325 1.751 4.852) 5.326 5.593 ( -6.037 0.174 6.056) 8.553 5.802 ( -5.443 2.725 -0.789) 6.138 6.069 ( 1.741 0.081 -3.224) 3.665 6.713 ( -5.151 1.091 6.139) 8.088 7.046 ( -7.594 6.562 -7.091) 12.288 8.916 ( 0.130 -1.768 3.943) 4.324 9.007 ( 3.353 -3.344 3.822) 6.085 9.631 ( 0.016 -4.407 0.014) 4.407 9.912 ( 4.619 -3.256 -1.848) 5.946 ======================= Grid point 250 (119/205) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.895 ( -4.416 0.878 -5.119) 6.817 1.070 ( -6.976 0.243 2.061) 7.278 1.282 ( -1.419 -1.554 4.894) 5.327 1.585 ( 3.730 2.267 0.739) 4.427 1.963 ( -2.330 -3.348 8.385) 9.325 2.358 ( 5.248 -5.061 0.449) 7.305 2.649 ( 5.691 -4.711 -6.880) 10.095 2.730 ( 7.060 -6.475 1.607) 9.714 3.142 ( 1.851 4.480 1.775) 5.162 3.336 ( 11.542 -6.302 2.639) 13.413 3.747 ( -1.048 0.852 -6.269) 6.413 3.829 ( 6.050 -9.459 -0.134) 11.229 4.705 ( -10.149 7.643 4.638) 13.525 4.772 ( -4.515 6.684 -6.338) 10.258 5.305 ( -0.948 0.999 2.983) 3.286 5.572 ( -5.355 -0.683 5.962) 8.043 5.736 ( -5.575 -0.051 5.768) 8.022 6.057 ( 2.202 1.960 -2.374) 3.785 6.682 ( -4.444 1.002 5.383) 7.052 6.848 ( -5.529 4.846 -4.348) 8.542 8.968 ( 0.169 -1.265 3.730) 3.942 9.101 ( 0.797 -2.617 3.789) 4.673 9.696 ( 1.277 -4.298 -0.291) 4.493 9.998 ( 4.224 -3.189 -0.634) 5.331 ======================= Grid point 251 (120/205) ======================= q-point: (-0.56 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.781 ( -4.354 1.466 -2.973) 5.472 1.002 ( -8.246 0.583 5.957) 10.190 1.333 ( -0.958 -1.252 6.690) 6.874 1.604 ( 2.401 1.739 0.955) 3.114 2.034 ( -3.353 -2.982 9.155) 10.196 2.442 ( 1.640 -1.736 -0.774) 2.511 2.715 ( 5.109 -1.958 -1.644) 5.713 2.863 ( 4.593 -1.109 1.498) 4.956 3.099 ( -2.730 4.889 2.044) 5.961 3.475 ( -0.630 1.898 -4.896) 5.289 3.768 ( 7.646 -6.100 -1.980) 9.980 4.007 ( 6.209 -8.552 -4.550) 11.506 4.495 ( -11.291 7.791 2.429) 13.932 4.607 ( -0.343 4.173 -6.409) 7.656 5.310 ( -1.114 -0.373 2.103) 2.409 5.564 ( -4.276 -1.366 4.423) 6.302 5.746 ( -5.583 -2.791 9.942) 11.739 6.055 ( 4.547 2.487 -0.516) 5.208 6.664 ( -2.788 0.946 4.873) 5.694 6.717 ( -3.628 2.945 -2.398) 5.252 9.008 ( -0.519 -1.320 3.102) 3.411 9.155 ( -1.574 -2.775 3.644) 4.843 9.747 ( 0.800 -2.129 -0.734) 2.390 10.082 ( 3.355 -2.397 0.236) 4.130 ======================= Grid point 252 (121/205) ======================= q-point: (-0.44 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.717 ( -3.640 -0.123 0.407) 3.665 0.947 ( -8.374 1.318 11.837) 14.559 1.388 ( -0.862 -0.407 8.019) 8.076 1.619 ( 1.763 0.789 -0.413) 1.975 2.098 ( -3.131 -2.311 9.951) 10.685 2.432 ( -1.518 2.038 -1.443) 2.922 2.796 ( 4.715 0.727 1.681) 5.059 2.868 ( -3.770 4.383 -1.683) 6.021 3.038 ( -0.232 0.647 4.282) 4.337 3.302 ( -7.736 5.999 -7.355) 12.244 3.816 ( -3.718 6.192 -0.452) 7.236 4.035 ( -5.375 2.160 -6.513) 8.717 4.384 ( 3.055 -3.631 -1.399) 4.947 4.641 ( 10.148 -6.164 -3.957) 12.515 5.312 ( -2.214 -0.902 1.528) 2.837 5.568 ( -2.641 -1.838 3.308) 4.615 5.794 ( -4.141 -4.013 6.001) 8.323 6.136 ( 8.651 -0.409 4.299) 9.669 6.640 ( -2.174 1.547 -0.089) 2.670 6.666 ( -1.606 0.885 4.820) 5.157 9.036 ( -1.499 -1.557 2.556) 3.347 9.194 ( -2.848 -4.106 2.938) 5.797 9.755 ( -0.207 0.240 -0.880) 0.936 10.132 ( 1.356 -0.597 -0.766) 1.668 ======================= Grid point 253 (122/205) ======================= q-point: (-0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.674 ( -4.789 -0.542 1.153) 4.956 0.961 ( -5.816 0.780 17.554) 18.508 1.447 ( -0.196 -0.066 7.767) 7.770 1.617 ( 0.777 0.445 -2.586) 2.737 2.160 ( -3.707 0.549 11.422) 12.021 2.330 ( -5.631 5.169 -0.171) 7.646 2.643 ( -10.689 7.559 -2.606) 13.349 2.854 ( 2.806 5.331 1.935) 6.328 3.066 ( -6.974 3.903 -6.465) 10.279 3.120 ( 2.290 -1.861 4.177) 5.114 3.564 ( -12.591 10.820 -2.994) 16.869 3.854 ( -4.984 4.927 -5.170) 8.709 4.537 ( 8.929 -7.055 -2.451) 11.641 4.866 ( 11.552 -8.329 -2.010) 14.383 5.299 ( -3.385 -1.005 1.724) 3.930 5.597 ( -0.889 -2.269 3.289) 4.093 5.833 ( -0.347 -3.993 -0.247) 4.016 6.311 ( 9.217 -3.455 -2.174) 10.081 6.645 ( 2.210 -0.816 6.934) 7.323 6.683 ( -0.366 0.469 6.323) 6.351 9.042 ( -3.390 -0.947 2.415) 4.268 9.228 ( -4.086 -5.730 1.094) 7.122 9.729 ( -0.779 1.690 -0.741) 2.003 10.105 ( -1.810 2.188 -3.552) 4.548 ======================= Grid point 254 (123/205) ======================= q-point: (-0.22 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.650 ( -3.748 -1.562 4.762) 6.258 1.015 ( -5.975 2.371 17.533) 18.674 1.491 ( 1.046 0.923 2.289) 2.681 1.586 ( -0.470 0.516 -3.932) 3.993 2.033 ( -10.777 11.934 5.618) 17.033 2.264 ( -9.350 3.309 5.955) 11.568 2.432 ( -6.011 0.823 0.645) 6.101 2.753 ( -0.282 10.583 -1.266) 10.662 2.931 ( -3.473 1.349 -7.159) 8.071 3.203 ( 0.794 -1.501 3.964) 4.312 3.310 ( -7.761 3.785 -0.554) 8.653 3.733 ( -1.321 3.876 -1.073) 4.233 4.708 ( 8.292 -4.996 -1.635) 9.817 5.056 ( 8.009 -5.201 -3.452) 10.155 5.285 ( -4.299 -1.300 4.131) 6.102 5.644 ( -0.581 -2.132 3.320) 3.988 5.886 ( 3.077 -4.028 -3.251) 6.022 6.340 ( 1.943 -0.953 -11.873) 12.069 6.692 ( -1.135 0.283 4.975) 5.111 6.922 ( 16.601 -7.142 9.119) 20.242 9.005 ( -5.807 0.533 2.507) 6.347 9.233 ( -6.888 -6.358 -2.388) 9.673 9.693 ( -0.959 1.298 -0.221) 1.628 9.971 ( -5.110 6.195 -5.710) 9.854 ======================= Grid point 255 (124/205) ======================= q-point: (-0.11 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.683 ( -3.622 -0.150 10.596) 11.199 1.004 ( -5.406 4.792 11.872) 13.897 1.493 ( 2.479 0.248 -3.234) 4.082 1.539 ( -0.362 0.808 -4.325) 4.414 1.821 ( -8.715 8.237 4.803) 12.918 2.033 ( -12.645 5.116 -1.835) 13.763 2.466 ( -3.839 -2.497 4.703) 6.565 2.618 ( 3.521 5.940 -10.027) 12.174 2.861 ( -0.525 1.158 6.021) 6.154 3.234 ( -0.381 0.631 4.059) 4.125 3.240 ( -3.643 -0.597 0.157) 3.695 3.719 ( 2.153 1.362 3.633) 4.437 4.835 ( 6.083 -2.302 -0.600) 6.532 5.143 ( 5.080 -2.057 -6.204) 8.278 5.286 ( -5.372 -1.131 7.510) 9.303 5.675 ( -2.070 -1.166 3.334) 4.094 5.952 ( 4.564 -2.981 -3.876) 6.689 6.251 ( -0.858 0.236 -12.784) 12.815 6.713 ( -1.798 -0.071 5.639) 5.920 7.282 ( 20.042 -7.018 -4.723) 21.754 8.931 ( -6.504 1.272 2.533) 7.095 9.138 ( -13.578 -3.214 -5.174) 14.882 9.668 ( -3.739 -0.320 1.110) 3.914 9.790 ( -0.825 7.081 -3.744) 8.052 ======================= Grid point 257 (125/205) ======================= q-point: ( 0.11 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.910 ( 3.387 0.000 4.898) 5.955 1.068 ( 0.512 0.000 -3.337) 3.376 1.387 ( -4.116 -0.000 -1.291) 4.314 1.564 ( 4.271 0.000 1.150) 4.423 1.927 ( 11.799 0.000 -0.010) 11.799 1.953 ( 15.290 0.000 3.564) 15.699 2.262 ( -0.213 -0.000 -2.653) 2.661 2.599 ( 7.206 0.000 -9.616) 12.017 3.137 ( 2.379 0.000 5.321) 5.829 3.232 ( 3.552 0.000 0.457) 3.581 3.525 ( 2.048 0.000 11.347) 11.530 3.830 ( 0.602 0.000 -3.931) 3.977 4.920 ( -4.005 -0.000 2.548) 4.746 5.011 ( -4.212 -0.000 -5.846) 7.205 5.332 ( -2.692 -0.000 6.740) 7.258 5.593 ( -6.881 -0.000 5.208) 8.630 5.835 ( -8.369 -0.000 -3.974) 9.265 6.069 ( 3.123 0.000 -1.229) 3.357 6.727 ( -5.746 -0.000 6.670) 8.804 7.135 ( -9.562 -0.000 -10.064) 13.882 8.903 ( 2.226 0.000 5.140) 5.601 8.960 ( 5.338 0.000 3.010) 6.128 9.573 ( 0.304 0.000 -0.168) 0.348 9.867 ( 5.132 0.000 -1.399) 5.320 ======================= Grid point 258 (126/205) ======================= q-point: ( 0.22 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.961 ( 3.051 2.829 1.221) 4.336 1.057 ( -3.891 -1.149 1.671) 4.388 1.310 ( -2.555 2.398 0.798) 3.594 1.624 ( 3.809 0.736 1.446) 4.140 2.012 ( 9.767 7.908 3.888) 13.155 2.265 ( 12.779 -2.816 0.903) 13.116 2.353 ( 9.531 -14.842 -1.767) 17.727 2.647 ( 7.986 -1.429 -3.842) 8.976 3.219 ( 4.903 0.489 3.099) 5.821 3.277 ( 5.653 1.369 1.118) 5.923 3.636 ( 1.400 -4.977 4.171) 6.643 3.778 ( -0.256 0.864 -8.482) 8.530 4.850 ( -8.233 3.518 4.117) 9.854 4.889 ( -4.706 2.529 -6.600) 8.492 5.327 ( -4.484 0.628 4.881) 6.658 5.550 ( -7.300 -0.769 5.979) 9.467 5.718 ( -8.437 -0.810 1.548) 8.616 6.094 ( 2.365 0.868 -0.205) 2.527 6.699 ( -5.588 0.362 5.758) 8.032 6.941 ( -7.662 2.224 -6.863) 10.524 8.978 ( 3.258 1.312 5.692) 6.688 9.057 ( 4.146 -1.225 2.851) 5.178 9.607 ( 3.043 -2.314 -0.226) 3.830 9.934 ( 5.060 -1.603 -0.689) 5.352 ======================= Grid point 259 (127/205) ======================= q-point: ( 0.33 0.11 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.923 ( 0.498 7.574 -0.399) 7.601 1.028 ( -3.325 1.271 6.250) 7.192 1.312 ( -0.276 -0.617 5.404) 5.446 1.653 ( 2.054 1.854 0.280) 2.781 2.056 ( 4.683 5.604 6.393) 9.706 2.410 ( 9.594 -1.111 -1.462) 9.768 2.617 ( 6.914 -7.071 -1.752) 10.044 2.799 ( 9.914 -3.347 3.734) 11.110 3.235 ( 1.370 5.778 0.959) 6.015 3.423 ( 9.918 -4.642 1.733) 11.087 3.686 ( 0.827 0.193 -10.675) 10.708 3.767 ( 4.888 -9.797 -3.119) 11.384 4.686 ( -11.990 6.846 3.735) 14.303 4.732 ( -4.466 4.655 -6.969) 9.497 5.294 ( -5.222 -0.825 3.220) 6.190 5.520 ( -7.564 -1.834 6.311) 10.020 5.672 ( -7.353 -2.956 5.970) 9.922 6.106 ( 2.108 1.569 0.420) 2.661 6.677 ( -3.615 0.208 4.914) 6.104 6.787 ( -5.219 2.379 -4.476) 7.275 9.029 ( 2.252 2.599 4.558) 5.710 9.125 ( 0.865 -0.345 3.873) 3.984 9.687 ( 4.166 -2.558 -0.272) 4.896 10.020 ( 4.708 -2.268 0.291) 5.234 ======================= Grid point 260 (128/205) ======================= q-point: (-0.56 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.843 ( 0.590 7.764 4.631) 9.059 1.027 ( -0.354 4.682 7.726) 9.041 1.372 ( 0.024 -1.106 6.684) 6.774 1.643 ( 0.015 1.286 -0.501) 1.381 2.103 ( 3.140 3.380 7.230) 8.576 2.500 ( 7.211 3.003 -1.048) 7.882 2.742 ( 4.722 -3.747 1.582) 6.232 2.946 ( 5.899 1.416 2.900) 6.724 3.140 ( -3.708 7.079 1.188) 8.079 3.436 ( -2.698 4.408 -9.282) 10.624 3.795 ( 10.703 -6.998 -0.760) 12.810 3.933 ( 6.332 -9.318 -6.276) 12.896 4.451 ( -12.986 7.352 2.162) 15.079 4.592 ( 0.333 2.048 -7.363) 7.650 5.270 ( -5.607 -2.558 2.600) 6.689 5.504 ( -7.083 -2.980 6.260) 9.911 5.687 ( -6.073 -4.419 7.224) 10.421 6.131 ( 3.417 0.016 0.806) 3.511 6.679 ( -1.727 0.439 3.676) 4.085 6.682 ( -3.352 1.446 -1.095) 3.811 9.048 ( 0.934 2.504 3.416) 4.338 9.154 ( -1.061 0.341 4.459) 4.596 9.753 ( 3.201 -0.644 -0.476) 3.300 10.102 ( 3.282 -1.659 0.378) 3.697 ======================= Grid point 261 (129/205) ======================= q-point: (-0.44 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.814 ( 3.794 8.661 4.490) 10.467 1.035 ( 0.349 5.567 12.211) 13.425 1.435 ( -0.027 -0.927 6.181) 6.250 1.621 ( -1.300 -0.069 -0.918) 1.593 2.169 ( 3.119 1.982 8.074) 8.879 2.498 ( 3.796 7.312 -1.009) 8.300 2.847 ( -1.670 1.531 -0.446) 2.310 2.882 ( -1.396 5.674 2.346) 6.296 3.106 ( 2.619 1.248 4.327) 5.209 3.237 ( -3.526 7.652 -9.420) 12.638 3.816 ( -9.387 7.914 -3.077) 12.657 3.961 ( -1.513 2.093 -4.312) 5.026 4.363 ( 3.372 -5.401 -0.377) 6.378 4.649 ( 9.683 -8.033 -4.284) 13.291 5.251 ( -5.965 -3.149 2.277) 7.120 5.516 ( -5.316 -4.094 6.202) 9.137 5.722 ( -4.543 -4.744 4.299) 7.850 6.216 ( 5.569 -3.867 -1.116) 6.871 6.636 ( -1.356 0.119 2.435) 2.790 6.695 ( -1.028 0.392 4.661) 4.789 9.049 ( -0.179 1.874 2.615) 3.222 9.163 ( -2.499 0.284 4.527) 5.178 9.775 ( 1.955 1.579 -0.483) 2.559 10.135 ( 0.809 0.328 -1.250) 1.525 ======================= Grid point 262 (130/205) ======================= q-point: (-0.33 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.784 ( 6.037 9.966 2.589) 11.936 1.094 ( 0.960 4.590 14.775) 15.502 1.484 ( 0.385 -1.021 1.746) 2.059 1.596 ( -2.496 -0.169 0.575) 2.567 2.244 ( 1.146 3.058 7.876) 8.527 2.410 ( 0.591 10.251 1.425) 10.366 2.598 ( -10.354 11.578 -1.068) 15.569 2.947 ( 1.362 -0.251 1.004) 1.711 3.000 ( -3.430 7.705 -8.520) 11.989 3.195 ( 4.679 2.464 4.843) 7.171 3.475 ( -14.856 9.678 -4.926) 18.402 3.858 ( -2.256 5.979 -0.287) 6.397 4.538 ( 8.258 -8.460 -1.042) 11.868 4.871 ( 9.104 -9.676 -2.663) 13.550 5.234 ( -5.533 -3.135 2.682) 6.902 5.562 ( -3.603 -4.479 6.040) 8.338 5.761 ( -1.707 -5.591 0.357) 5.857 6.289 ( 3.330 -3.472 -9.382) 10.543 6.693 ( -0.067 -0.868 4.168) 4.258 6.749 ( 3.214 -4.861 9.445) 11.098 9.034 ( -1.680 2.033 2.236) 3.458 9.149 ( -4.865 0.054 3.925) 6.251 9.760 ( 0.990 3.236 -0.169) 3.388 10.088 ( -1.596 3.357 -3.840) 5.344 ======================= Grid point 263 (131/205) ======================= q-point: (-0.22 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.789 ( 7.384 8.267 5.747) 12.486 1.139 ( -0.899 5.783 11.355) 12.774 1.485 ( 0.598 -0.756 -5.014) 5.106 1.571 ( -2.979 0.920 1.526) 3.471 2.138 ( -4.516 14.346 3.700) 15.489 2.249 ( -13.269 11.399 2.065) 17.614 2.463 ( 5.345 3.790 3.735) 7.542 2.791 ( -1.336 7.282 -11.921) 14.033 2.922 ( -2.260 3.712 1.511) 4.602 3.209 ( -4.563 -0.934 -1.054) 4.775 3.296 ( 2.077 4.707 5.897) 7.826 3.786 ( -0.461 4.148 3.128) 5.216 4.725 ( 6.649 -6.691 -0.460) 9.444 5.035 ( 4.452 -6.902 -3.878) 9.083 5.235 ( -4.510 -3.001 4.633) 7.128 5.616 ( -3.354 -3.672 5.545) 7.448 5.825 ( 1.068 -6.697 -2.480) 7.221 6.249 ( 0.615 -0.700 -11.742) 11.779 6.710 ( -1.929 -0.144 4.387) 4.794 7.011 ( 8.542 -12.653 4.085) 15.804 8.988 ( -3.195 3.255 2.429) 5.168 9.088 ( -8.399 0.635 2.579) 8.809 9.723 ( -0.312 3.876 0.627) 3.939 9.966 ( -1.494 6.335 -5.378) 8.444 ======================= Grid point 264 (132/205) ======================= q-point: (-0.11 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.830 ( 2.654 7.366 10.310) 12.946 1.115 ( 1.070 6.582 4.487) 8.037 1.471 ( 2.294 -1.050 -5.361) 5.925 1.504 ( -4.544 0.528 -2.646) 5.284 1.910 ( -7.168 14.185 4.334) 16.474 2.003 ( -3.400 9.313 0.217) 9.916 2.465 ( 0.605 6.350 -2.531) 6.862 2.638 ( 5.617 3.864 -13.172) 14.832 2.937 ( -0.240 -1.543 10.712) 10.825 3.177 ( -2.874 -2.105 -0.500) 3.597 3.342 ( 4.311 5.196 8.801) 11.093 3.791 ( 1.233 1.150 3.904) 4.253 4.854 ( 3.120 -4.364 0.410) 5.380 5.097 ( 0.718 -4.357 -5.410) 6.983 5.262 ( -3.393 -2.200 6.597) 7.738 5.644 ( -4.398 -2.099 4.967) 6.958 5.903 ( 1.516 -6.775 -3.902) 7.964 6.157 ( -0.646 1.418 -10.179) 10.298 6.724 ( -2.893 -0.648 5.595) 6.332 7.258 ( 4.661 -13.075 -7.063) 15.574 8.922 ( -2.713 4.076 2.936) 5.709 8.968 ( -9.216 2.365 2.514) 9.841 9.665 ( -2.466 3.837 1.087) 4.689 9.854 ( 2.758 5.791 -4.154) 7.642 ======================= Grid point 267 (133/205) ======================= q-point: ( 0.22 0.22 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.038 ( -5.466 -0.000 8.347) 9.977 1.044 ( 2.835 0.000 3.859) 4.789 1.299 ( -1.019 -0.000 1.698) 1.980 1.677 ( 2.453 0.000 -0.109) 2.455 2.273 ( 4.235 0.000 -0.601) 4.278 2.315 ( 14.376 0.000 0.139) 14.377 2.460 ( 16.308 0.000 2.683) 16.528 2.754 ( 11.515 0.000 2.634) 11.813 3.335 ( 7.744 0.000 4.493) 8.953 3.358 ( 6.613 0.000 -1.894) 6.879 3.614 ( -0.801 -0.000 -0.626) 1.017 3.698 ( 0.074 0.000 -12.811) 12.811 4.787 ( -10.986 -0.000 4.269) 11.787 4.789 ( -4.654 -0.000 -7.533) 8.855 5.280 ( -8.404 -0.000 3.692) 9.179 5.494 ( -8.086 -0.000 6.412) 10.320 5.630 ( -7.910 -0.000 4.915) 9.312 6.126 ( 1.084 0.000 0.892) 1.404 6.679 ( -4.026 -0.000 4.855) 6.307 6.818 ( -5.917 -0.000 -5.442) 8.039 9.086 ( 3.121 0.000 7.002) 7.667 9.111 ( 2.454 0.000 2.216) 3.307 9.649 ( 5.698 0.000 -0.281) 5.705 9.989 ( 5.288 0.000 0.228) 5.293 ======================= Grid point 268 (134/205) ======================= q-point: ( 0.33 0.22 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.012 ( -4.955 5.109 11.553) 13.569 1.112 ( 2.921 1.213 6.221) 6.979 1.333 ( -0.091 -1.575 5.228) 5.461 1.675 ( 0.264 0.919 -3.343) 3.477 2.266 ( 7.005 8.527 2.292) 11.271 2.518 ( 10.330 -3.484 -0.048) 10.901 2.661 ( 8.734 -1.257 2.173) 9.088 2.961 ( 12.748 0.069 6.054) 14.112 3.341 ( 1.291 8.602 -0.528) 8.714 3.494 ( 4.711 -0.330 -1.121) 4.854 3.623 ( 7.203 -4.074 -9.067) 12.275 3.675 ( 5.746 -9.788 -6.151) 12.909 4.623 ( -13.770 5.061 2.797) 14.935 4.661 ( -4.583 1.960 -7.263) 8.808 5.199 ( -9.355 -2.389 2.497) 9.973 5.446 ( -8.760 -1.371 6.763) 11.152 5.600 ( -6.353 -2.124 7.163) 9.807 6.134 ( -0.257 0.131 0.483) 0.563 6.679 ( -1.643 -0.082 4.322) 4.624 6.714 ( -4.191 0.745 -3.459) 5.485 9.127 ( 1.203 2.972 3.775) 4.953 9.171 ( 0.939 0.256 5.406) 5.493 9.730 ( 5.898 -0.800 -0.304) 5.959 10.065 ( 4.697 -0.982 0.677) 4.846 ======================= Grid point 269 (135/205) ======================= q-point: (-0.56 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.997 ( -1.239 6.299 13.017) 14.514 1.175 ( 3.338 3.740 6.959) 8.577 1.397 ( -0.613 -2.064 5.870) 6.253 1.624 ( -1.691 0.353 -4.104) 4.453 2.286 ( 7.716 7.311 3.899) 11.322 2.647 ( 7.751 3.197 0.376) 8.393 2.767 ( 2.979 -3.159 2.715) 5.121 3.099 ( 7.885 6.243 1.786) 10.214 3.203 ( -3.451 8.386 -0.030) 9.068 3.404 ( 2.110 6.260 -8.251) 10.569 3.834 ( 7.140 -6.677 -2.875) 10.190 3.864 ( 9.810 -9.262 -2.555) 13.731 4.381 ( -13.661 5.897 2.348) 15.064 4.547 ( -0.473 -0.316 -7.079) 7.102 5.149 ( -8.363 -4.626 2.202) 9.807 5.418 ( -8.434 -3.466 7.121) 11.569 5.619 ( -5.287 -3.342 6.811) 9.248 6.140 ( 0.337 -2.107 -0.983) 2.349 6.645 ( -2.611 0.453 -0.655) 2.730 6.700 ( -0.626 0.017 4.040) 4.088 9.124 ( 0.356 3.528 3.540) 5.011 9.202 ( -0.231 2.025 5.248) 5.630 9.797 ( 4.392 0.321 -0.395) 4.422 10.129 ( 2.841 -0.618 -0.019) 2.907 ======================= Grid point 270 (136/205) ======================= q-point: (-0.44 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( 0.868 7.347 9.552) 12.082 1.225 ( 4.217 4.754 8.026) 10.237 1.451 ( -0.436 -1.717 3.104) 3.574 1.576 ( -3.167 -1.205 -1.027) 3.540 2.341 ( 8.265 6.015 4.528) 11.180 2.627 ( -0.406 6.776 -0.112) 6.789 2.857 ( 2.076 -0.194 0.088) 2.087 2.981 ( -1.431 12.248 1.831) 12.466 3.112 ( -0.110 2.998 -8.241) 8.770 3.356 ( 8.154 8.995 2.854) 12.472 3.738 ( -13.161 9.783 -4.422) 16.985 3.979 ( 0.955 2.073 0.567) 2.351 4.327 ( 2.695 -7.351 0.571) 7.850 4.615 ( 6.922 -10.026 -3.702) 12.734 5.130 ( -6.791 -5.043 2.229) 8.747 5.435 ( -6.473 -5.552 7.492) 11.351 5.642 ( -4.601 -3.768 4.185) 7.272 6.179 ( 1.635 -4.842 -4.698) 6.942 6.639 ( -0.625 -1.619 3.487) 3.894 6.720 ( -1.098 0.088 3.997) 4.146 9.109 ( 0.067 3.806 3.429) 5.123 9.200 ( -1.513 3.041 4.797) 5.877 9.826 ( 2.869 1.974 -0.268) 3.492 10.141 ( 0.507 1.140 -1.842) 2.225 ======================= Grid point 271 (137/205) ======================= q-point: (-0.33 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.993 ( 1.899 7.319 7.610) 10.728 1.277 ( 3.180 4.772 6.168) 8.422 1.465 ( 0.373 -0.725 -3.078) 3.184 1.561 ( -4.107 -1.655 3.760) 5.809 2.386 ( 4.362 7.621 1.788) 8.961 2.504 ( -5.875 7.640 4.551) 10.658 2.723 ( 0.987 14.738 -0.352) 14.775 2.938 ( 0.615 2.960 -4.563) 5.474 3.009 ( 1.636 4.479 -4.823) 6.782 3.290 ( -9.219 9.325 -4.547) 13.879 3.474 ( 2.780 9.493 6.802) 12.005 3.912 ( -3.120 5.729 3.080) 7.213 4.514 ( 6.266 -10.280 -0.070) 12.039 4.810 ( 4.128 -11.198 -2.259) 12.147 5.138 ( -4.151 -4.780 2.609) 6.847 5.498 ( -4.536 -5.899 7.547) 10.599 5.669 ( -2.792 -5.248 1.266) 6.078 6.199 ( 1.172 -3.652 -9.027) 9.808 6.700 ( -1.044 -1.454 3.164) 3.635 6.767 ( 0.431 -5.719 6.685) 8.808 9.084 ( -0.506 4.413 3.497) 5.654 9.159 ( -3.495 4.187 4.013) 6.771 9.820 ( 1.456 3.571 0.312) 3.868 10.086 ( -0.749 3.539 -3.933) 5.344 ======================= Grid point 272 (138/205) ======================= q-point: (-0.22 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.007 ( 1.276 5.951 10.319) 11.980 1.267 ( 0.153 4.976 1.635) 5.240 1.450 ( 1.621 -0.533 -4.622) 4.927 1.529 ( -5.561 0.854 0.056) 5.627 2.240 ( -8.414 10.646 1.512) 13.654 2.335 ( -4.209 17.347 7.013) 19.179 2.661 ( 9.464 7.073 -3.918) 12.448 2.793 ( 0.208 9.287 -9.339) 13.172 2.940 ( -0.466 3.624 1.762) 4.057 3.118 ( -3.853 -1.589 -1.447) 4.412 3.517 ( 8.295 8.871 8.541) 14.847 3.846 ( -2.510 3.414 4.049) 5.861 4.695 ( 3.023 -8.593 0.620) 9.130 4.933 ( -0.969 -9.044 -2.958) 9.564 5.183 ( -1.188 -4.145 3.406) 5.495 5.565 ( -4.421 -4.323 7.493) 9.715 5.723 ( -0.748 -7.013 -1.106) 7.139 6.164 ( 0.489 -1.125 -9.316) 9.396 6.706 ( -2.847 -0.669 3.750) 4.756 6.934 ( 0.502 -11.574 2.602) 11.874 9.042 ( -1.413 5.180 4.028) 6.712 9.071 ( -4.700 5.663 2.923) 7.919 9.779 ( -0.554 4.966 1.027) 5.101 9.993 ( 0.824 5.031 -4.876) 7.054 ======================= Grid point 273 (139/205) ======================= q-point: (-0.11 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.001 ( -3.034 7.157 9.933) 12.614 1.207 ( -1.764 2.899 -0.917) 3.515 1.392 ( -6.052 2.453 -5.711) 8.676 1.476 ( 3.944 -1.542 -2.516) 4.926 1.996 ( -9.337 11.752 5.963) 16.150 2.182 ( 3.847 13.001 3.918) 14.113 2.601 ( 4.801 12.735 -5.208) 14.572 2.660 ( 6.667 3.619 -12.831) 14.906 3.007 ( 3.628 -1.459 9.703) 10.462 3.116 ( -0.376 -2.391 -0.533) 2.478 3.578 ( 7.527 8.533 8.380) 14.132 3.825 ( -1.144 0.457 1.644) 2.054 4.806 ( -1.743 -6.668 2.109) 7.208 4.970 ( -3.539 -6.906 -4.501) 8.971 5.252 ( -0.096 -2.952 4.255) 5.180 5.601 ( -5.122 -2.128 6.794) 8.771 5.790 ( -1.218 -6.725 -1.630) 7.026 6.105 ( 0.218 0.582 -7.011) 7.038 6.710 ( -3.918 -1.216 5.233) 6.649 7.055 ( -3.706 -11.212 -3.864) 12.425 8.960 ( -4.268 4.890 3.166) 7.222 9.005 ( 0.830 5.538 3.976) 6.868 9.704 ( -1.661 5.520 0.646) 5.800 9.928 ( 3.563 4.585 -3.554) 6.808 ======================= Grid point 277 (140/205) ======================= q-point: ( 0.33 0.33 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.098 ( -4.060 -0.000 15.860) 16.372 1.198 ( 2.572 0.000 6.507) 6.997 1.364 ( -0.656 -0.000 6.256) 6.290 1.630 ( -1.321 -0.000 -7.082) 7.204 2.431 ( 7.956 0.000 1.057) 8.026 2.615 ( 7.797 0.000 4.214) 8.863 2.762 ( 3.766 0.000 0.347) 3.782 3.167 ( 9.329 0.000 1.957) 9.532 3.406 ( -0.215 -0.000 -1.240) 1.258 3.557 ( 4.024 0.000 -0.131) 4.026 3.609 ( 13.102 0.000 -11.083) 17.161 3.693 ( 12.336 0.000 -0.251) 12.338 4.490 ( -16.180 -0.000 2.853) 16.430 4.553 ( -5.183 -0.000 -6.868) 8.604 5.077 ( -8.491 -0.000 1.403) 8.606 5.371 ( -9.841 -0.000 6.828) 11.978 5.575 ( -4.974 -0.000 7.725) 9.188 6.115 ( -2.105 -0.000 -0.804) 2.253 6.652 ( -2.905 -0.000 -1.676) 3.353 6.699 ( -0.355 -0.000 3.870) 3.887 9.177 ( -0.355 -0.000 3.918) 3.934 9.230 ( 0.569 0.000 5.313) 5.344 9.799 ( 5.539 0.000 -0.223) 5.544 10.118 ( 3.748 0.000 0.222) 3.754 ======================= Grid point 278 (141/205) ======================= q-point: ( 0.44 0.33 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.149 ( -1.927 4.106 13.051) 13.816 1.280 ( 1.521 -0.094 6.775) 6.944 1.408 ( -1.033 -1.232 5.894) 6.109 1.552 ( -2.003 -0.578 -6.975) 7.280 2.510 ( 9.204 6.059 3.111) 11.450 2.737 ( 0.415 1.908 -0.647) 2.057 2.772 ( 2.518 -3.405 2.318) 4.827 3.149 ( -3.273 1.219 -8.217) 8.928 3.369 ( 7.749 14.344 0.469) 16.310 3.586 ( 11.254 8.603 3.313) 14.548 3.789 ( 7.943 -6.724 -5.480) 11.762 3.895 ( 7.708 -6.756 1.446) 10.351 4.281 ( -14.011 2.642 3.218) 14.617 4.451 ( -4.328 -3.069 -4.847) 7.186 5.021 ( -4.865 -2.923 0.983) 5.760 5.320 ( -9.030 -3.032 7.326) 12.017 5.581 ( -4.653 -1.248 6.654) 8.215 6.087 ( -1.673 -2.162 -2.586) 3.763 6.620 ( -1.484 -0.242 0.665) 1.644 6.722 ( -0.713 0.057 3.247) 3.325 9.190 ( -0.428 2.110 4.348) 4.852 9.260 ( -0.371 1.430 4.418) 4.659 9.857 ( 4.046 0.573 -0.097) 4.087 10.153 ( 1.943 0.089 -1.026) 2.199 ======================= Grid point 279 (142/205) ======================= q-point: (-0.44 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.142 ( -3.110 5.024 8.657) 10.481 1.339 ( 0.686 0.230 4.112) 4.175 1.453 ( 1.071 -0.287 1.093) 1.557 1.507 ( -2.510 -2.244 0.098) 3.368 2.576 ( 9.571 7.491 2.851) 12.484 2.636 ( -5.436 3.624 -0.590) 6.560 2.868 ( 2.950 -2.084 -2.098) 4.177 3.005 ( -6.001 3.208 -3.838) 7.813 3.281 ( 10.024 16.162 -2.413) 19.170 3.598 ( -1.195 13.796 -2.359) 14.047 3.718 ( -0.815 8.736 4.884) 10.041 4.021 ( -0.371 1.227 3.481) 3.709 4.248 ( -0.064 -9.887 1.237) 9.964 4.511 ( 1.667 -12.365 -2.191) 12.667 5.029 ( -1.899 -3.502 1.388) 4.219 5.342 ( -5.500 -6.084 7.672) 11.230 5.585 ( -4.723 -1.827 5.006) 7.120 6.088 ( -0.172 -4.477 -5.156) 6.831 6.636 ( -0.233 -1.898 2.998) 3.556 6.727 ( -1.944 -0.063 2.726) 3.349 9.185 ( -0.161 3.422 4.251) 5.459 9.254 ( -1.443 3.012 3.744) 5.017 9.886 ( 2.672 1.752 0.265) 3.206 10.144 ( 0.150 1.330 -2.655) 2.974 ======================= Grid point 280 (143/205) ======================= q-point: (-0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.113 ( -3.524 3.129 8.934) 10.101 1.337 ( -2.509 0.713 -0.362) 2.633 1.452 ( 1.297 0.623 -2.423) 2.818 1.529 ( -1.743 -0.763 2.745) 3.340 2.472 ( -5.804 7.245 -0.544) 9.299 2.651 ( 5.271 7.772 6.978) 11.699 2.802 ( 0.150 5.031 -8.281) 9.690 2.929 ( -1.651 0.431 -1.261) 2.122 3.171 ( -3.772 14.209 -2.070) 14.846 3.266 ( -0.152 14.825 -2.766) 15.081 3.754 ( 9.942 9.833 7.282) 15.766 3.949 ( -6.467 4.519 4.782) 9.226 4.438 ( 3.181 -12.249 0.868) 12.685 4.663 ( -1.604 -12.782 -1.575) 12.978 5.080 ( 0.851 -3.680 2.179) 4.361 5.432 ( -2.376 -6.376 7.178) 9.891 5.595 ( -3.660 -3.242 4.017) 6.328 6.097 ( 0.496 -4.073 -7.216) 8.301 6.685 ( -1.530 -1.707 2.629) 3.488 6.738 ( -1.661 -3.841 3.482) 5.444 9.165 ( -0.868 4.578 4.248) 6.305 9.207 ( -2.276 4.840 2.934) 6.100 9.884 ( 1.125 3.353 0.967) 3.667 10.089 ( -0.187 2.777 -4.036) 4.903 ======================= Grid point 281 (144/205) ======================= q-point: (-0.22 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.116 ( -4.797 1.467 11.059) 12.144 1.256 ( -6.443 2.018 -2.044) 7.054 1.450 ( 3.204 0.165 -2.855) 4.294 1.482 ( -4.053 3.009 -2.092) 5.464 2.280 ( -9.140 10.409 3.262) 14.231 2.559 ( -2.941 15.246 6.084) 16.677 2.751 ( 6.918 4.460 -10.658) 13.467 2.814 ( -3.977 5.457 -3.047) 7.408 2.989 ( -2.682 -1.637 1.844) 3.643 3.216 ( 12.026 12.374 0.864) 17.277 3.810 ( 9.436 9.719 5.518) 14.627 3.860 ( -5.278 2.519 3.392) 6.761 4.600 ( -1.369 -10.049 1.998) 10.337 4.750 ( -4.561 -10.915 -2.696) 12.133 5.168 ( 2.673 -3.483 2.515) 5.060 5.526 ( -2.440 -4.119 7.153) 8.607 5.640 ( -1.844 -4.940 3.531) 6.346 6.085 ( 0.351 -2.264 -7.243) 7.596 6.683 ( -3.502 -0.939 3.361) 4.944 6.817 ( -2.021 -7.626 1.095) 7.965 9.097 ( -4.084 5.925 3.194) 7.873 9.149 ( -0.184 5.723 3.561) 6.743 9.840 ( -1.082 5.162 0.885) 5.348 10.028 ( 1.872 3.278 -3.763) 5.330 ======================= Grid point 282 (145/205) ======================= q-point: (-0.11 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.071 ( -9.607 6.618 0.502) 11.677 1.117 ( -7.173 -1.724 3.414) 8.129 1.353 ( -4.065 4.713 -2.261) 6.621 1.500 ( 5.091 -1.901 -1.089) 5.542 2.065 ( -9.311 10.204 7.493) 15.715 2.401 ( 1.114 11.439 2.786) 11.826 2.682 ( 4.270 2.118 -8.788) 9.997 2.750 ( 3.646 6.295 -2.023) 7.550 3.050 ( 1.621 -3.940 2.694) 5.041 3.254 ( 12.462 9.135 2.562) 15.663 3.795 ( -2.726 0.817 -0.572) 2.903 3.844 ( 7.666 8.949 2.687) 12.087 4.682 ( -6.641 -8.407 3.851) 11.384 4.780 ( -4.860 -8.801 -4.750) 11.120 5.256 ( 1.902 -2.372 2.564) 3.977 5.575 ( -3.594 -1.460 6.574) 7.633 5.711 ( -2.057 -4.330 4.861) 6.827 6.056 ( 0.415 -1.160 -5.696) 5.828 6.681 ( -4.131 -1.374 4.822) 6.497 6.865 ( -4.286 -7.251 -2.428) 8.766 9.002 ( -2.956 5.042 2.947) 6.546 9.112 ( 0.277 5.040 3.979) 6.427 9.759 ( -1.084 5.468 -0.044) 5.575 10.000 ( 3.509 3.438 -2.002) 5.305 ======================= Grid point 287 (146/205) ======================= q-point: ( 0.44 0.44 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.220 ( -5.277 -0.000 9.123) 10.539 1.323 ( -0.668 -0.000 3.274) 3.342 1.446 ( 0.982 0.000 5.817) 5.899 1.479 ( -0.177 -0.000 -4.962) 4.965 2.682 ( -4.415 -0.000 -0.474) 4.441 2.695 ( 7.537 0.000 1.762) 7.740 2.816 ( 3.994 0.000 0.134) 3.996 3.041 ( -4.323 -0.000 -7.284) 8.471 3.591 ( 7.441 0.000 -0.495) 7.457 3.774 ( 9.848 0.000 -0.091) 9.849 3.875 ( -1.215 -0.000 -0.710) 1.407 3.917 ( 11.064 0.000 4.441) 11.922 4.153 ( -11.223 -0.000 4.623) 12.138 4.314 ( -6.987 -0.000 -2.104) 7.297 4.985 ( 0.932 0.000 -0.059) 0.934 5.255 ( -6.609 -0.000 8.136) 10.482 5.565 ( -4.982 -0.000 6.264) 8.004 6.026 ( -1.314 -0.000 -3.784) 4.006 6.615 ( -0.388 -0.000 1.727) 1.770 6.728 ( -1.876 -0.000 2.198) 2.889 9.231 ( -0.590 -0.000 4.561) 4.599 9.292 ( -0.880 -0.000 3.452) 3.562 9.907 ( 3.035 0.000 0.340) 3.054 10.159 ( 0.672 0.000 -2.282) 2.379 ======================= Grid point 288 (147/205) ======================= q-point: (-0.44 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.176 ( -7.426 1.923 6.366) 9.969 1.320 ( -2.697 -1.352 -0.274) 3.029 1.470 ( 1.417 0.597 -0.382) 1.584 1.508 ( 1.722 -0.631 2.876) 3.411 2.574 ( -6.384 1.695 -1.837) 6.856 2.794 ( 6.803 4.228 2.605) 8.423 2.855 ( 3.480 -0.808 -5.080) 6.211 2.937 ( -4.924 0.910 -1.742) 5.301 3.555 ( -0.953 14.251 -0.638) 14.297 3.641 ( -4.054 12.235 -2.627) 13.154 3.946 ( 6.666 3.998 5.806) 9.702 4.037 ( -7.240 2.510 5.432) 9.393 4.128 ( 2.265 -11.100 2.496) 11.600 4.344 ( 0.229 -11.266 -0.897) 11.304 5.025 ( 3.901 -0.842 0.160) 3.994 5.292 ( -1.545 -3.879 7.946) 8.977 5.552 ( -5.426 -0.683 6.714) 8.659 6.002 ( 0.369 -2.657 -5.200) 5.851 6.637 ( 0.112 -1.126 2.303) 2.566 6.709 ( -3.277 -0.171 1.455) 3.590 9.247 ( -0.337 1.835 4.066) 4.474 9.290 ( -1.673 1.777 2.957) 3.834 9.939 ( 2.226 1.079 0.908) 2.636 10.132 ( -0.511 0.834 -3.416) 3.553 ======================= Grid point 289 (148/205) ======================= q-point: (-0.33 -0.56 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.118 ( -7.763 -0.190 6.953) 10.423 1.285 ( -4.017 0.185 0.249) 4.029 1.473 ( 1.478 1.450 -0.575) 2.148 1.527 ( -0.766 0.628 -0.470) 1.096 2.457 ( -6.487 3.777 0.499) 7.523 2.779 ( -2.643 4.900 -4.710) 7.293 2.812 ( 3.012 1.690 -3.020) 4.588 2.935 ( 2.409 -0.178 2.388) 3.397 3.189 ( -14.675 18.824 -0.168) 23.869 3.545 ( 7.889 12.646 -0.145) 14.905 3.913 ( -10.680 0.466 5.669) 12.100 4.019 ( 6.171 6.136 4.438) 9.768 4.331 ( 2.391 -11.472 1.055) 11.766 4.471 ( -1.166 -10.123 -0.699) 10.214 5.103 ( 5.213 -1.561 1.135) 5.558 5.407 ( 1.811 -4.870 5.187) 7.341 5.560 ( -5.016 -1.857 9.226) 10.665 6.007 ( 1.229 -3.374 -6.341) 7.287 6.664 ( -2.405 -0.780 2.070) 3.268 6.691 ( -2.076 -2.721 1.448) 3.717 9.227 ( -2.368 4.248 3.038) 5.735 9.262 ( -0.751 3.194 3.213) 4.592 9.943 ( 0.540 3.104 1.166) 3.359 10.083 ( -0.002 1.220 -3.733) 3.927 ======================= Grid point 290 (149/205) ======================= q-point: (-0.22 -0.56 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.078 ( -8.435 -1.404 4.050) 9.461 1.206 ( -8.166 3.602 4.531) 10.009 1.443 ( -4.100 2.298 -0.974) 4.800 1.494 ( 3.223 1.564 -1.983) 4.094 2.301 ( -8.886 7.811 2.605) 12.115 2.673 ( -1.167 5.149 -0.663) 5.321 2.789 ( -5.239 7.570 -5.013) 10.482 2.820 ( -3.162 5.101 0.126) 6.003 2.997 ( 3.348 0.822 3.039) 4.596 3.504 ( 6.326 8.785 0.068) 10.826 3.831 ( -5.618 1.583 3.170) 6.642 4.049 ( 6.102 6.082 1.880) 8.818 4.462 ( -3.017 -9.130 1.192) 9.689 4.551 ( -1.766 -8.244 -2.167) 8.705 5.203 ( 5.198 -1.793 1.270) 5.643 5.514 ( 1.920 -3.573 2.152) 4.591 5.619 ( -3.986 -2.682 13.388) 14.223 6.008 ( 1.035 -2.573 -6.597) 7.156 6.649 ( -3.806 -1.178 3.288) 5.165 6.722 ( -1.915 -4.156 -0.029) 4.576 9.142 ( -3.797 5.830 2.433) 7.370 9.236 ( -0.439 4.587 3.548) 5.815 9.884 ( -2.023 4.707 -0.492) 5.147 10.063 ( 2.408 1.395 -1.685) 3.253 ======================= Grid point 291 (150/205) ======================= q-point: (-0.11 -0.56 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.947 ( -11.220 3.683 -2.494) 12.069 1.085 ( -9.778 2.299 6.046) 11.724 1.351 ( -3.955 3.009 2.706) 5.659 1.538 ( 4.282 -1.046 -0.133) 4.410 2.119 ( -8.759 7.919 7.132) 13.795 2.517 ( -4.458 8.278 1.178) 9.476 2.693 ( 3.671 0.597 -4.159) 5.580 2.824 ( 3.392 1.168 -0.603) 3.638 3.053 ( 0.131 -2.263 2.856) 3.647 3.488 ( 3.343 3.282 -1.492) 4.917 3.781 ( 1.212 3.760 -0.292) 3.961 4.049 ( 6.255 7.178 -1.475) 9.635 4.505 ( -8.204 -8.010 2.269) 11.688 4.596 ( -1.071 -6.299 -4.651) 7.903 5.282 ( 2.735 -0.902 1.282) 3.152 5.570 ( -0.716 -1.152 2.670) 2.995 5.715 ( -3.293 -1.338 14.238) 14.675 6.004 ( 1.928 -2.294 -5.259) 6.053 6.651 ( -3.468 -1.493 4.560) 5.921 6.734 ( -3.060 -3.958 -1.671) 5.274 9.048 ( -2.849 4.895 2.581) 6.224 9.194 ( -1.124 4.847 3.562) 6.119 9.797 ( -1.536 3.871 -1.095) 4.306 10.070 ( 3.187 2.263 -0.312) 3.921 ======================= Grid point 297 (151/205) ======================= q-point: (-0.44 -0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( -9.073 -0.000 5.073) 10.395 1.282 ( -2.589 -0.000 1.446) 2.965 1.500 ( 1.919 0.000 0.389) 1.958 1.526 ( -0.200 -0.000 -0.579) 0.612 2.496 ( -5.895 -0.000 -0.131) 5.897 2.816 ( 3.684 0.000 -9.335) 10.036 2.863 ( -5.342 -0.000 -1.571) 5.568 2.934 ( 2.059 0.000 4.732) 5.160 3.556 ( -11.149 -0.000 -0.877) 11.184 3.671 ( -5.094 -0.000 1.323) 5.263 3.930 ( -13.325 -0.000 2.684) 13.593 4.030 ( -4.143 -0.000 6.530) 7.733 4.147 ( 11.079 0.000 1.820) 11.227 4.356 ( 8.789 0.000 0.837) 8.829 5.088 ( 6.787 0.000 -1.187) 6.890 5.336 ( 2.997 0.000 6.098) 6.794 5.538 ( -6.389 -0.000 10.913) 12.646 5.959 ( 2.116 0.000 -5.951) 6.316 6.647 ( 0.028 0.000 1.641) 1.641 6.668 ( -4.320 -0.000 1.099) 4.457 9.286 ( 0.211 0.000 3.183) 3.190 9.297 ( -2.493 -0.000 2.805) 3.752 9.983 ( 2.247 0.000 1.521) 2.714 10.095 ( -1.526 -0.000 -3.999) 4.280 ======================= Grid point 298 (152/205) ======================= q-point: (-0.33 -0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.051 ( -8.140 -0.556 5.292) 9.725 1.258 ( -4.861 0.893 4.307) 6.556 1.483 ( -3.665 1.111 -0.590) 3.874 1.525 ( 1.848 0.365 -0.770) 2.035 2.420 ( -5.910 2.091 1.524) 6.452 2.750 ( -2.441 2.279 -5.851) 6.737 2.811 ( 2.615 0.081 -5.325) 5.933 2.939 ( -6.795 0.373 3.496) 7.651 3.281 ( -9.120 17.133 2.375) 19.554 3.635 ( -8.148 -2.056 0.070) 8.403 3.770 ( -13.440 -3.415 5.462) 14.904 4.080 ( -1.784 -3.670 4.165) 5.831 4.300 ( 8.984 -1.807 -1.358) 9.264 4.470 ( 8.074 0.374 0.261) 8.087 5.172 ( 7.261 -0.677 -1.233) 7.396 5.431 ( 5.188 -2.266 -0.413) 5.676 5.578 ( -5.876 -0.851 18.884) 19.795 5.952 ( 2.728 -1.487 -6.941) 7.605 6.627 ( -4.189 -0.558 2.162) 4.747 6.661 ( -0.625 -1.092 0.805) 1.493 9.259 ( -3.360 3.225 2.624) 5.346 9.309 ( 0.351 1.086 2.634) 2.871 9.990 ( -0.760 3.811 -0.617) 3.935 10.060 ( 0.689 -1.582 -1.770) 2.472 ======================= Grid point 299 (153/205) ======================= q-point: (-0.22 -0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.995 ( -7.638 0.437 4.069) 8.665 1.178 ( -10.764 3.911 6.867) 13.353 1.407 ( -6.191 1.445 2.895) 6.985 1.540 ( 3.447 0.842 -1.298) 3.778 2.293 ( -8.196 5.866 2.291) 10.337 2.685 ( 0.708 0.149 -3.254) 3.334 2.743 ( -10.833 6.367 -0.699) 12.585 2.841 ( 0.489 0.591 -0.973) 1.239 3.079 ( -3.438 6.447 3.823) 8.246 3.510 ( -10.461 -0.436 -0.674) 10.492 3.761 ( -7.242 -7.359 3.359) 10.858 4.119 ( -1.465 -2.561 0.828) 3.064 4.380 ( 4.721 -0.065 -2.765) 5.471 4.554 ( 8.517 2.466 -1.359) 8.971 5.259 ( 5.569 -0.982 -0.954) 5.735 5.513 ( 4.169 -2.963 -1.874) 5.447 5.694 ( -3.105 -0.303 22.254) 22.472 5.950 ( 2.635 -1.901 -7.124) 7.830 6.614 ( -3.175 -1.290 3.727) 5.063 6.667 ( -1.469 -1.602 -0.147) 2.178 9.178 ( -4.182 5.028 2.503) 7.003 9.306 ( 0.172 3.369 2.403) 4.141 9.893 ( -3.164 4.116 -2.468) 5.749 10.095 ( 2.460 -0.359 0.132) 2.489 ======================= Grid point 300 (154/205) ======================= q-point: (-0.11 -0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.873 ( -9.935 6.426 2.072) 12.012 1.018 ( -13.131 2.612 7.494) 15.343 1.364 ( -3.974 1.041 7.317) 8.392 1.577 ( 3.619 -0.445 -0.632) 3.700 2.151 ( -7.520 5.424 6.825) 11.513 2.516 ( -8.553 4.871 0.413) 9.851 2.722 ( 4.138 -1.821 -1.776) 4.858 2.860 ( 1.449 -1.204 -1.409) 2.353 3.030 ( -3.611 0.284 3.822) 5.266 3.393 ( -9.492 -3.731 -3.506) 10.785 3.788 ( -4.293 -6.149 0.951) 7.559 4.108 ( -3.399 -2.099 -3.480) 5.298 4.395 ( 3.021 1.838 -2.329) 4.235 4.608 ( 9.391 4.350 -2.984) 10.771 5.311 ( 1.836 -0.280 0.035) 1.857 5.569 ( 1.170 -1.109 0.256) 1.632 5.808 ( -2.988 2.399 15.213) 15.688 5.990 ( 6.312 -2.711 -0.545) 6.891 6.631 ( -2.097 -1.523 4.152) 4.895 6.660 ( -2.257 -1.622 -0.329) 2.799 9.086 ( -3.452 4.478 2.537) 6.197 9.264 ( -1.193 5.368 2.266) 5.947 9.796 ( -2.580 2.250 -1.864) 3.898 10.122 ( 2.133 0.676 -0.183) 2.245 ======================= Grid point 307 (155/205) ======================= q-point: (-0.33 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.997 ( -6.937 -0.000 6.205) 9.308 1.229 ( -7.862 -0.000 6.285) 10.065 1.424 ( -7.333 -0.000 3.730) 8.227 1.554 ( 3.016 0.000 -1.214) 3.252 2.376 ( -6.846 -0.000 2.858) 7.419 2.679 ( -1.808 -0.000 -7.495) 7.710 2.813 ( 3.096 0.000 -4.574) 5.523 2.842 ( -12.051 -0.000 2.713) 12.352 3.342 ( -9.290 -0.000 1.031) 9.347 3.388 ( -17.694 -0.000 5.791) 18.618 3.619 ( -11.026 -0.000 2.833) 11.384 4.045 ( -3.113 -0.000 0.879) 3.235 4.414 ( 10.638 0.000 -3.565) 11.219 4.604 ( 10.540 0.000 0.838) 10.573 5.244 ( 6.751 0.000 -2.328) 7.141 5.468 ( 5.283 0.000 -2.939) 6.046 5.692 ( -2.427 -0.000 24.333) 24.454 5.925 ( 3.198 0.000 -7.817) 8.446 6.598 ( -3.104 -0.000 3.659) 4.798 6.648 ( -1.020 -0.000 0.056) 1.021 9.252 ( -4.773 -0.000 3.170) 5.729 9.341 ( 1.422 0.000 1.214) 1.870 9.967 ( -3.205 -0.000 -4.559) 5.573 10.072 ( 2.380 0.000 1.687) 2.917 ======================= Grid point 308 (156/205) ======================= q-point: (-0.22 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.960 ( -7.205 1.098 8.137) 10.924 1.130 ( -13.205 3.930 6.908) 15.412 1.379 ( -6.607 0.238 9.006) 11.172 1.580 ( 3.328 0.433 -1.549) 3.696 2.266 ( -10.157 3.540 3.953) 11.460 2.634 ( -0.031 -3.499 -7.110) 7.925 2.662 ( -12.638 4.936 2.251) 13.753 2.813 ( -1.947 -2.187 -2.572) 3.897 3.131 ( -6.868 7.403 5.569) 11.532 3.303 ( -14.608 -4.577 1.883) 15.424 3.569 ( -7.814 -8.054 0.173) 11.223 4.002 ( -5.978 -3.492 -3.107) 7.589 4.491 ( 9.798 3.126 -4.666) 11.294 4.730 ( 11.555 3.640 0.620) 12.131 5.300 ( 3.925 -0.427 -1.896) 4.380 5.527 ( 4.944 -1.553 -1.711) 5.457 5.866 ( 1.172 2.261 16.488) 16.683 5.927 ( 5.137 -2.355 0.356) 5.663 6.604 ( -1.751 -0.531 4.698) 5.042 6.633 ( -1.607 -0.596 -0.499) 1.785 9.190 ( -5.599 3.007 3.173) 7.104 9.359 ( 1.468 1.674 0.410) 2.264 9.867 ( -3.672 2.871 -3.985) 6.133 10.114 ( 1.539 -0.988 -0.072) 1.831 ======================= Grid point 309 (157/205) ======================= q-point: (-0.11 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.867 ( -12.107 9.240 4.835) 15.979 0.952 ( -12.083 1.419 12.751) 17.624 1.394 ( -3.066 -0.044 10.156) 10.608 1.605 ( 2.949 -0.185 -2.113) 3.632 2.159 ( -8.197 1.063 8.227) 11.662 2.435 ( -12.407 3.285 1.122) 12.884 2.673 ( -0.858 -6.102 -4.538) 7.653 2.787 ( -4.448 -4.527 -0.572) 6.373 3.083 ( 0.963 3.635 5.530) 6.687 3.181 ( -10.812 -3.048 -2.457) 11.499 3.579 ( -9.254 -10.933 -1.062) 14.363 3.928 ( -7.339 -4.454 -6.118) 10.542 4.524 ( 9.268 5.468 -3.972) 11.470 4.817 ( 12.103 6.575 -0.648) 13.789 5.320 ( 0.020 -0.079 -0.196) 0.212 5.585 ( 2.468 -0.330 0.471) 2.534 5.872 ( 0.881 2.239 -1.121) 2.655 6.148 ( 11.423 0.450 12.993) 17.306 6.612 ( -1.406 -0.652 0.796) 1.742 6.641 ( -1.236 -1.025 5.075) 5.323 9.103 ( -5.128 3.236 2.934) 6.736 9.329 ( -0.300 5.189 -0.209) 5.202 9.765 ( -3.128 1.647 -2.372) 4.258 10.125 ( -0.353 -1.131 -2.288) 2.577 ======================= Grid point 317 (158/205) ======================= q-point: (-0.22 -0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.955 ( -8.558 -0.000 13.939) 16.356 1.034 ( -15.430 -0.000 7.137) 17.001 1.389 ( -3.957 -0.000 10.096) 10.843 1.607 ( 2.720 0.000 -2.343) 3.590 2.151 ( -17.149 -0.000 7.375) 18.667 2.562 ( 3.513 0.000 -10.101) 10.695 2.568 ( -12.111 -0.000 5.965) 13.500 2.673 ( -13.121 -0.000 -2.311) 13.323 3.134 ( -6.854 -0.000 1.327) 6.982 3.180 ( -3.855 -0.000 8.247) 9.103 3.398 ( -7.394 -0.000 -4.685) 8.754 3.868 ( -6.177 -0.000 -5.747) 8.437 4.597 ( 9.531 0.000 -4.618) 10.591 4.906 ( 11.033 0.000 0.676) 11.054 5.317 ( 1.007 0.000 -1.054) 1.458 5.575 ( 4.946 0.000 -0.377) 4.960 5.900 ( 4.372 0.000 -6.638) 7.948 6.154 ( 11.460 0.000 18.662) 21.900 6.606 ( -1.291 -0.000 0.622) 1.432 6.626 ( -0.957 -0.000 5.425) 5.509 9.152 ( -7.244 -0.000 3.550) 8.067 9.389 ( 2.239 0.000 -1.638) 2.774 9.810 ( -2.882 -0.000 -4.513) 5.354 10.099 ( -1.555 -0.000 -2.762) 3.170 ======================= Grid point 318 (159/205) ======================= q-point: (-0.11 -0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.830 ( -16.273 7.874 6.580) 19.238 0.963 ( -9.050 0.142 17.783) 19.954 1.433 ( -0.402 -1.173 6.259) 6.381 1.610 ( 1.600 0.012 -3.997) 4.306 2.033 ( -16.060 -6.209 9.429) 19.631 2.372 ( -11.327 6.925 4.922) 14.159 2.525 ( -8.716 -2.457 -3.616) 9.751 2.630 ( -1.155 -10.206 -0.780) 10.301 3.045 ( -5.597 0.372 -5.456) 7.825 3.190 ( 0.672 3.681 5.715) 6.831 3.337 ( -7.372 -7.197 -0.684) 10.325 3.763 ( -4.725 -2.113 -5.774) 7.754 4.665 ( 9.032 2.911 -3.215) 10.019 5.015 ( 9.857 3.301 -1.397) 10.488 5.311 ( -2.039 0.165 1.661) 2.635 5.628 ( 2.666 0.449 1.319) 3.008 5.903 ( 4.299 1.517 -4.874) 6.673 6.368 ( 9.023 1.139 -4.098) 9.975 6.658 ( 0.009 0.014 5.786) 5.786 6.685 ( 8.794 0.510 12.356) 15.174 9.074 ( -7.457 1.121 3.229) 8.203 9.371 ( 0.381 3.657 -3.754) 5.255 9.732 ( -1.972 2.101 -2.914) 4.098 10.033 ( -5.947 -3.077 -5.398) 8.601 ======================= Grid point 327 (160/205) ======================= q-point: (-0.11 -0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.752 ( -14.770 -0.000 10.324) 18.021 0.965 ( -10.137 -0.000 16.134) 19.054 1.456 ( 2.884 0.000 -0.471) 2.922 1.582 ( 0.205 0.000 -5.692) 5.696 1.865 ( -14.135 -0.000 9.228) 16.881 2.209 ( -17.130 -0.000 -1.797) 17.224 2.498 ( -9.343 -0.000 18.502) 20.727 2.553 ( 8.054 0.000 -11.079) 13.697 2.910 ( -4.858 -0.000 -9.406) 10.586 3.227 ( -2.827 -0.000 2.463) 3.750 3.268 ( -1.772 -0.000 4.106) 4.472 3.683 ( -0.611 -0.000 -1.451) 1.575 4.770 ( 7.841 0.000 -1.830) 8.052 5.120 ( 7.406 0.000 -4.510) 8.671 5.302 ( -4.088 -0.000 5.473) 6.832 5.669 ( 0.747 0.000 2.180) 2.305 5.938 ( 5.267 0.000 -4.733) 7.081 6.350 ( 1.083 0.000 -12.121) 12.169 6.688 ( -1.131 -0.000 5.480) 5.596 7.020 ( 23.938 0.000 6.622) 24.837 9.000 ( -8.310 -0.000 2.981) 8.829 9.342 ( -3.192 -0.000 -8.360) 8.949 9.723 ( 1.377 0.000 -3.355) 3.627 9.835 ( -13.023 -0.000 -3.352) 13.447 ======================= Grid point 328 (161/205) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.905 ( -2.382 -0.000 6.599) 7.016 1.001 ( 1.750 0.000 -4.019) 4.383 1.444 ( 4.246 0.000 -0.919) 4.344 1.455 ( -2.946 -0.000 -1.409) 3.265 1.760 ( 0.089 0.000 2.428) 2.430 1.812 ( -3.217 -0.000 -3.003) 4.401 2.333 ( -5.271 -0.000 -1.012) 5.368 2.391 ( 6.244 0.000 -7.181) 9.516 3.141 ( -1.053 -0.000 4.105) 4.238 3.188 ( 0.030 0.000 -1.519) 1.519 3.545 ( 0.071 0.000 16.530) 16.530 3.770 ( 2.462 0.000 -6.019) 6.503 4.940 ( 2.137 0.000 3.106) 3.770 5.023 ( 0.196 0.000 -5.603) 5.606 5.512 ( -6.612 -0.000 12.608) 14.237 5.692 ( 1.539 0.000 -3.733) 4.038 5.942 ( -4.672 -0.000 -5.029) 6.864 5.944 ( 6.020 0.000 -2.928) 6.694 6.887 ( -3.468 -0.000 10.611) 11.164 7.143 ( 5.591 0.000 -15.714) 16.678 8.916 ( -2.367 -0.000 2.109) 3.170 8.945 ( -2.810 -0.000 -0.814) 2.926 9.653 ( -5.945 -0.000 2.761) 6.555 9.713 ( 6.033 0.000 -3.254) 6.854 ======================= Grid point 329 (162/205) ======================= q-point: ( 0.11 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.943 ( -2.120 -1.447 0.713) 2.664 1.054 ( 4.357 -6.276 0.188) 7.642 1.374 ( -3.540 3.432 -1.179) 5.069 1.496 ( 5.733 1.391 -0.020) 5.899 1.836 ( 2.457 -5.678 2.265) 6.589 1.940 ( 10.187 -12.048 2.132) 15.921 2.297 ( -2.920 -3.060 0.420) 4.250 2.436 ( 6.879 -1.497 -4.078) 8.136 3.159 ( 0.840 1.180 2.314) 2.730 3.181 ( 2.173 1.616 -0.501) 2.754 3.658 ( -0.661 -1.635 10.190) 10.342 3.724 ( 1.264 -0.314 -11.752) 11.824 4.950 ( -2.313 2.239 -6.044) 6.848 4.962 ( -0.662 1.959 2.757) 3.447 5.512 ( -6.645 2.226 11.939) 13.843 5.668 ( 1.076 1.289 -4.114) 4.443 5.849 ( -5.300 -0.106 -0.778) 5.358 5.996 ( 4.989 0.477 -1.825) 5.333 6.896 ( -6.748 1.572 10.445) 12.534 7.035 ( -0.660 2.727 -13.219) 13.514 8.940 ( 0.603 -0.921 3.262) 3.442 8.971 ( 2.893 -2.877 2.928) 5.022 9.625 ( -4.061 -2.536 2.400) 5.355 9.783 ( 6.421 -2.094 -2.700) 7.274 ======================= Grid point 330 (163/205) ======================= q-point: ( 0.22 0.00 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.883 ( -2.481 1.669 -6.315) 6.987 1.175 ( -2.135 -3.299 6.290) 7.417 1.326 ( -0.664 -0.350 3.105) 3.194 1.548 ( 5.184 1.233 -0.795) 5.388 1.985 ( 2.739 -6.883 5.038) 8.959 2.249 ( 6.382 -7.664 4.737) 11.041 2.372 ( 7.426 -11.017 -3.564) 13.756 2.557 ( 8.867 -4.534 1.691) 10.101 3.151 ( 3.364 3.392 -1.610) 5.041 3.229 ( 5.227 -0.129 2.545) 5.816 3.630 ( 0.214 -0.622 -15.010) 15.025 3.734 ( -0.878 -4.411 2.621) 5.206 4.811 ( -4.600 4.656 -6.913) 9.520 4.917 ( -4.389 4.642 3.122) 7.111 5.472 ( -6.366 3.544 9.081) 11.643 5.633 ( 1.031 1.690 -3.156) 3.725 5.807 ( -4.741 -2.395 1.893) 5.638 6.030 ( 3.937 2.263 0.502) 4.569 6.845 ( -7.684 2.368 6.674) 10.449 6.890 ( -3.187 2.932 -7.044) 8.268 8.992 ( 1.630 -0.403 3.510) 3.891 9.088 ( 3.429 -3.172 4.340) 6.376 9.648 ( -1.579 -4.173 1.654) 4.759 9.883 ( 6.155 -3.429 -0.980) 7.114 ======================= Grid point 331 (164/205) ======================= q-point: ( 0.33 0.00 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.783 ( -0.821 2.045 -5.681) 6.093 1.195 ( -6.037 0.166 10.398) 12.024 1.372 ( 0.450 -1.527 2.566) 3.020 1.579 ( 3.261 0.904 -1.698) 3.786 2.117 ( -0.913 -4.522 7.393) 8.714 2.376 ( 2.125 -4.786 1.207) 5.374 2.585 ( 8.044 -5.909 0.038) 9.981 2.778 ( 8.670 -4.767 4.141) 10.725 3.146 ( 3.558 3.267 -2.155) 5.289 3.364 ( 8.273 -3.012 -0.426) 8.814 3.540 ( 3.116 -4.154 -12.447) 13.487 3.808 ( 1.124 -7.754 -2.079) 8.106 4.624 ( -5.020 6.168 -7.169) 10.707 4.772 ( -9.669 8.262 2.299) 12.924 5.430 ( -4.534 1.828 7.252) 8.746 5.607 ( 0.794 1.418 -1.767) 2.400 5.802 ( -3.374 -3.224 0.491) 4.692 6.053 ( 2.931 3.122 3.145) 5.313 6.759 ( -3.947 2.255 -0.661) 4.593 6.791 ( -5.073 1.641 1.656) 5.583 9.035 ( 0.852 0.129 2.866) 2.993 9.178 ( 0.863 -1.746 3.718) 4.198 9.700 ( 0.302 -3.608 0.648) 3.678 9.999 ( 4.970 -3.516 0.928) 6.158 ======================= Grid point 332 (165/205) ======================= q-point: ( 0.44 0.00 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.737 ( -0.083 0.344 -1.640) 1.677 1.198 ( -6.701 0.547 12.861) 14.512 1.403 ( 1.873 -0.648 -1.372) 2.410 1.586 ( 1.938 0.739 -1.999) 2.881 2.197 ( -2.079 -2.926 7.041) 7.903 2.432 ( 0.397 -1.195 -0.782) 1.482 2.751 ( 6.098 -4.024 4.704) 8.689 2.901 ( 3.313 1.958 2.974) 4.863 3.110 ( -0.196 2.855 -0.862) 2.989 3.315 ( -3.381 1.112 -11.669) 12.199 3.749 ( 11.298 -7.827 1.648) 13.843 3.914 ( 3.050 -7.509 -4.573) 9.306 4.466 ( 0.245 2.677 -6.624) 7.149 4.524 ( -11.945 9.286 1.069) 15.168 5.422 ( -4.048 0.159 6.865) 7.971 5.592 ( 0.856 0.869 -1.084) 1.632 5.802 ( -1.663 -2.439 -1.641) 3.378 6.087 ( 3.291 1.265 2.803) 4.504 6.698 ( -2.165 1.143 0.573) 2.514 6.739 ( -2.729 0.851 1.923) 3.445 9.057 ( -0.048 -0.175 1.767) 1.776 9.218 ( -0.759 -1.275 2.410) 2.831 9.740 ( 0.416 -1.474 -0.041) 1.533 10.091 ( 2.606 -1.871 0.777) 3.301 ======================= Grid point 333 (166/205) ======================= q-point: (-0.44 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.721 ( -2.562 -0.708 0.222) 2.667 1.221 ( -5.358 0.063 14.022) 15.010 1.417 ( 3.387 -0.715 -5.750) 6.712 1.583 ( 1.670 1.127 -1.669) 2.616 2.250 ( -0.193 -1.234 3.191) 3.427 2.414 ( -1.895 1.390 0.134) 2.354 2.825 ( -5.955 6.502 -2.522) 9.170 2.898 ( 3.234 -2.001 6.427) 7.468 3.128 ( 2.028 0.389 5.838) 6.192 3.144 ( -7.137 2.307 -7.222) 10.412 3.801 ( -7.207 7.192 -1.234) 10.256 3.899 ( -3.253 3.594 -5.255) 7.149 4.385 ( 1.049 -1.929 1.866) 2.881 4.560 ( 12.066 -8.762 -3.287) 15.270 5.420 ( -5.052 -0.519 6.906) 8.572 5.594 ( 1.691 0.018 -1.005) 1.967 5.794 ( -0.477 -0.982 -1.700) 2.021 6.146 ( 4.514 -1.888 -2.912) 5.694 6.687 ( -0.225 -0.083 2.669) 2.679 6.733 ( 0.463 0.213 2.183) 2.242 9.068 ( -0.833 -0.947 0.660) 1.424 9.234 ( -1.377 -1.514 0.825) 2.206 9.744 ( -0.159 0.824 -0.386) 0.924 10.111 ( -0.535 0.751 -1.229) 1.536 ======================= Grid point 334 (167/205) ======================= q-point: (-0.33 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.705 ( -3.555 -2.480 2.495) 5.001 1.268 ( -4.078 0.187 11.970) 12.647 1.415 ( 3.266 -1.028 -8.611) 9.267 1.570 ( 1.398 2.472 -1.437) 3.183 2.229 ( -1.961 4.429 -3.644) 6.061 2.381 ( -1.003 1.348 2.064) 2.661 2.606 ( -10.914 8.280 -1.194) 13.752 2.906 ( -7.331 1.903 -8.808) 11.617 3.006 ( -3.957 3.518 12.143) 13.247 3.228 ( 1.742 -1.310 7.680) 7.983 3.496 ( -13.718 8.488 -3.761) 16.565 3.783 ( -0.075 6.632 -0.875) 6.690 4.532 ( 7.464 -6.374 2.216) 10.063 4.812 ( 11.047 -8.569 -2.491) 14.201 5.421 ( -5.346 -1.565 7.728) 9.526 5.617 ( 2.911 -0.905 -2.104) 3.704 5.798 ( 1.243 -0.842 -0.941) 1.772 6.172 ( 2.128 -2.226 -8.459) 9.002 6.726 ( 1.533 -0.700 2.063) 2.663 6.800 ( 6.057 -2.016 3.047) 7.074 9.065 ( -2.258 -1.083 -0.131) 2.507 9.227 ( -2.502 -1.326 -1.316) 3.123 9.715 ( -0.109 2.467 -0.770) 2.586 10.038 ( -3.972 3.532 -3.093) 6.150 ======================= Grid point 335 (168/205) ======================= q-point: (-0.22 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.755 ( -0.929 -4.728 6.302) 7.932 1.257 ( -5.502 4.293 4.603) 8.360 1.399 ( 2.091 -1.456 -6.849) 7.308 1.533 ( -0.000 3.216 -1.037) 3.379 2.056 ( -6.661 8.830 -2.014) 11.242 2.309 ( -14.018 10.502 -0.208) 17.517 2.381 ( 2.301 2.084 -4.910) 5.809 2.672 ( -9.286 4.952 -8.902) 13.784 3.032 ( -4.090 -0.376 12.789) 13.432 3.272 ( -4.933 -0.715 -0.940) 5.072 3.337 ( -1.174 2.174 10.060) 10.359 3.738 ( 3.027 4.035 1.249) 5.197 4.717 ( 7.018 -4.775 2.753) 8.924 4.977 ( 5.938 -4.582 -3.521) 8.286 5.449 ( -5.290 -2.658 9.676) 11.344 5.653 ( 3.755 -1.511 -3.573) 5.399 5.830 ( 3.181 -1.153 -1.371) 3.651 6.128 ( -0.861 -1.083 -9.268) 9.371 6.773 ( 0.631 -0.894 4.374) 4.509 6.963 ( 12.156 -4.156 -3.342) 13.275 9.030 ( -4.274 -0.070 -0.192) 4.279 9.169 ( -5.034 0.026 -4.096) 6.490 9.681 ( 1.380 2.588 -1.339) 3.224 9.892 ( -6.393 5.134 -2.329) 8.524 ======================= Grid point 336 (169/205) ======================= q-point: (-0.11 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.863 ( -0.609 -3.423 7.664) 8.416 1.102 ( -5.465 8.414 -1.322) 10.119 1.405 ( 2.657 -1.860 -4.265) 5.358 1.490 ( -1.998 0.684 -0.054) 2.112 1.858 ( -6.012 8.210 0.056) 10.176 1.986 ( -12.134 8.251 -2.673) 14.915 2.373 ( 4.760 0.192 -7.056) 8.513 2.459 ( -6.322 3.385 -5.997) 9.348 3.101 ( -2.121 -2.220 8.386) 8.930 3.215 ( -2.678 -0.614 -2.173) 3.503 3.419 ( -0.089 1.576 16.762) 16.836 3.760 ( 3.645 1.097 -0.613) 3.855 4.859 ( 4.775 -2.249 3.081) 6.111 5.034 ( 2.535 -1.876 -4.572) 5.554 5.488 ( -6.269 -1.823 11.593) 13.305 5.685 ( 3.029 -1.143 -3.948) 5.106 5.882 ( 4.963 -1.428 -2.725) 5.839 6.044 ( -2.655 0.132 -7.708) 8.154 6.832 ( -0.782 -0.938 7.881) 7.975 7.115 ( 11.971 -3.430 -11.470) 16.930 8.964 ( -4.883 0.929 0.662) 5.014 9.044 ( -6.647 1.388 -4.651) 8.230 9.674 ( 3.009 1.057 -1.657) 3.594 9.745 ( -5.753 3.922 0.250) 6.967 ======================= Grid point 338 (170/205) ======================= q-point: ( 0.11 0.11 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.002 ( 2.167 0.000 5.753) 6.147 1.053 ( 5.713 0.000 -0.466) 5.732 1.343 ( -3.676 -0.000 -0.617) 3.727 1.566 ( 5.157 0.000 -2.247) 5.626 1.935 ( 12.935 0.000 0.762) 12.957 2.045 ( 15.173 0.000 5.511) 16.143 2.255 ( -2.452 -0.000 2.518) 3.515 2.506 ( 8.472 0.000 0.475) 8.485 3.212 ( 3.732 0.000 -2.881) 4.714 3.217 ( 3.073 0.000 3.780) 4.872 3.627 ( 1.434 0.000 -16.753) 16.815 3.680 ( -2.998 -0.000 3.898) 4.918 4.870 ( -4.239 -0.000 -6.887) 8.087 4.973 ( -3.343 -0.000 2.889) 4.418 5.527 ( -7.663 -0.000 10.698) 13.159 5.652 ( -0.246 -0.000 -3.105) 3.114 5.767 ( -6.014 -0.000 0.370) 6.026 6.059 ( 4.304 0.000 0.975) 4.413 6.875 ( -9.478 -0.000 8.511) 12.739 6.929 ( -3.388 -0.000 -9.922) 10.485 9.020 ( 5.038 0.000 2.475) 5.613 9.021 ( 3.852 0.000 7.260) 8.218 9.590 ( -1.569 -0.000 2.162) 2.671 9.837 ( 6.771 0.000 -1.638) 6.966 ======================= Grid point 339 (171/205) ======================= q-point: ( 0.22 0.11 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.983 ( 5.870 11.019 0.688) 12.503 1.186 ( -0.118 -2.480 9.100) 9.433 1.322 ( -1.176 -2.454 2.394) 3.624 1.592 ( 4.253 0.328 -5.838) 7.231 2.094 ( 10.692 3.087 4.150) 11.877 2.284 ( 2.956 -2.734 2.090) 4.536 2.365 ( 14.916 -9.920 2.607) 18.102 2.671 ( 11.127 -2.470 6.235) 12.992 3.221 ( 5.369 2.379 -5.070) 7.758 3.313 ( 6.293 -1.214 3.627) 7.364 3.507 ( 1.272 0.090 -17.603) 17.649 3.662 ( -3.340 -3.502 -1.266) 5.002 4.737 ( -5.388 2.609 -7.139) 9.317 4.913 ( -7.147 2.998 2.422) 8.120 5.479 ( -8.872 1.827 8.256) 12.256 5.621 ( -1.290 0.033 -1.917) 2.311 5.720 ( -5.338 -2.609 1.936) 6.249 6.111 ( 2.676 1.318 2.677) 4.008 6.802 ( -7.228 1.063 2.314) 7.664 6.817 ( -4.876 0.487 -3.117) 5.808 9.079 ( 3.835 2.682 3.897) 6.090 9.145 ( 3.142 -1.396 6.275) 7.155 9.621 ( 1.558 -2.207 1.781) 3.235 9.928 ( 6.482 -1.805 0.205) 6.732 ======================= Grid point 340 (172/205) ======================= q-point: ( 0.33 0.11 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.932 ( 8.420 12.527 1.091) 15.133 1.235 ( -4.134 1.958 12.837) 13.628 1.382 ( 1.500 -2.036 1.469) 2.924 1.583 ( 2.645 -0.660 -7.287) 7.781 2.180 ( 2.828 2.366 6.332) 7.327 2.412 ( 8.540 -1.349 1.421) 8.762 2.629 ( 8.920 -5.650 2.168) 10.780 2.904 ( 9.658 -1.453 7.302) 12.195 3.199 ( 4.122 3.725 -7.310) 9.181 3.352 ( -0.016 2.010 -13.236) 13.388 3.530 ( 12.380 -7.568 1.881) 14.631 3.703 ( 1.316 -8.475 -2.324) 8.886 4.570 ( -4.810 4.316 -7.093) 9.596 4.743 ( -12.149 7.325 1.661) 14.283 5.417 ( -8.311 -0.333 7.112) 10.944 5.591 ( -2.299 -0.632 -0.869) 2.538 5.716 ( -3.762 -3.708 1.352) 5.453 6.133 ( 0.563 1.852 2.594) 3.237 6.724 ( -3.117 0.894 -1.270) 3.483 6.750 ( -4.144 0.037 1.205) 4.316 9.106 ( 2.141 3.495 3.097) 5.137 9.218 ( 0.764 0.666 5.187) 5.285 9.693 ( 3.080 -2.123 0.949) 3.860 10.035 ( 4.806 -2.293 1.386) 5.502 ======================= Grid point 341 (173/205) ======================= q-point: ( 0.44 0.11 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.904 ( 8.555 12.546 2.262) 15.353 1.256 ( -3.340 2.591 12.749) 13.431 1.412 ( 2.770 -0.052 -3.760) 4.670 1.576 ( 1.528 -1.678 -4.469) 5.012 2.231 ( 1.521 0.860 5.450) 5.723 2.503 ( 7.069 4.571 0.981) 8.475 2.796 ( 4.792 -4.715 2.633) 7.220 2.976 ( 0.176 4.767 -2.961) 5.614 3.164 ( 0.992 3.226 1.784) 3.817 3.219 ( 1.581 2.954 -9.145) 9.739 3.804 ( 6.814 -7.034 -1.585) 9.920 3.854 ( 7.111 -6.790 2.504) 10.146 4.443 ( 0.982 0.576 -6.384) 6.485 4.482 ( -12.664 7.979 1.686) 15.063 5.386 ( -8.329 -2.356 7.131) 11.215 5.569 ( -2.093 -1.798 -1.086) 2.965 5.732 ( -2.590 -3.572 1.296) 4.599 6.129 ( 0.402 0.375 -0.979) 1.123 6.685 ( -1.904 -0.077 1.062) 2.182 6.732 ( -0.301 -0.318 0.668) 0.798 9.103 ( 1.133 3.445 2.052) 4.167 9.240 ( -0.295 1.638 3.923) 4.261 9.750 ( 2.641 -0.287 0.285) 2.672 10.108 ( 1.981 -0.887 0.336) 2.196 ======================= Grid point 342 (174/205) ======================= q-point: (-0.44 0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.867 ( 7.521 12.630 2.398) 14.894 1.293 ( -1.521 1.908 11.256) 11.517 1.404 ( 3.302 0.213 -7.483) 8.182 1.587 ( 1.294 -1.143 -2.617) 3.135 2.280 ( 2.677 0.819 2.099) 3.499 2.507 ( 4.687 8.008 1.758) 9.444 2.799 ( -5.637 7.414 -4.179) 10.208 2.898 ( 0.428 -2.005 -5.147) 5.540 3.072 ( -3.936 1.856 -0.991) 4.464 3.264 ( 4.869 4.185 9.192) 11.213 3.735 ( -11.776 8.572 -3.848) 15.065 3.937 ( 0.663 4.516 1.966) 4.970 4.384 ( 1.536 -3.994 2.731) 5.076 4.567 ( 11.007 -10.286 -3.074) 15.375 5.369 ( -8.464 -3.017 7.571) 11.750 5.567 ( -0.577 -3.029 -2.654) 4.068 5.753 ( -2.685 -2.734 3.090) 4.922 6.121 ( 1.591 -1.675 -6.822) 7.203 6.699 ( 0.672 -1.462 1.690) 2.333 6.756 ( 1.539 -1.296 1.616) 2.581 9.087 ( 0.652 2.938 1.119) 3.211 9.235 ( -1.113 1.876 2.526) 3.338 9.770 ( 1.883 1.792 0.048) 2.600 10.104 ( -1.030 1.686 -1.824) 2.689 ======================= Grid point 343 (175/205) ======================= q-point: (-0.33 0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.852 ( 8.966 10.586 5.217) 14.821 1.324 ( -1.596 2.134 6.421) 6.952 1.382 ( 2.692 0.238 -6.578) 7.111 1.582 ( 0.380 0.298 -3.765) 3.796 2.277 ( 2.167 6.215 -2.232) 6.950 2.469 ( 3.045 7.911 1.268) 8.571 2.581 ( -7.659 10.048 -1.022) 12.676 2.800 ( -4.737 3.933 -7.403) 9.628 3.034 ( -4.270 0.144 3.449) 5.491 3.293 ( -5.781 3.869 2.288) 7.323 3.460 ( -4.251 8.318 7.218) 11.805 3.874 ( 0.181 6.613 1.543) 6.794 4.556 ( 6.721 -7.983 3.075) 10.879 4.802 ( 8.178 -9.562 -3.305) 13.009 5.371 ( -7.324 -3.727 8.688) 11.959 5.586 ( 1.356 -3.919 -4.887) 6.409 5.784 ( -2.286 -2.544 4.765) 5.865 6.095 ( 1.312 -1.599 -9.974) 10.186 6.743 ( 0.909 -1.521 1.839) 2.554 6.844 ( 5.018 -4.810 0.205) 6.954 9.062 ( -0.051 2.964 0.520) 3.009 9.198 ( -2.992 2.444 0.889) 3.964 9.760 ( 1.738 3.404 0.153) 3.825 10.016 ( -3.354 4.468 -3.289) 6.483 ======================= Grid point 344 (176/205) ======================= q-point: (-0.22 0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.922 ( 10.292 7.729 8.523) 15.437 1.278 ( -3.607 5.081 0.927) 6.299 1.371 ( 1.808 -0.408 -3.657) 4.100 1.519 ( -2.769 1.420 -5.630) 6.433 2.151 ( 0.356 13.254 -0.588) 13.271 2.306 ( -11.920 14.741 2.198) 19.084 2.428 ( 4.262 5.639 -4.088) 8.165 2.593 ( -4.744 7.509 -7.946) 11.917 3.027 ( -2.853 -2.819 5.671) 6.946 3.181 ( -4.902 -1.531 -1.791) 5.439 3.498 ( 2.433 4.895 14.492) 15.488 3.822 ( 1.164 4.168 -0.366) 4.343 4.751 ( 5.263 -6.482 3.270) 8.967 4.937 ( 3.144 -6.224 -4.710) 8.415 5.410 ( -6.369 -4.282 10.524) 13.025 5.621 ( 3.067 -4.202 -6.448) 8.285 5.828 ( -1.642 -2.641 4.592) 5.546 6.043 ( 1.002 -0.382 -9.684) 9.743 6.793 ( -0.633 -2.055 5.145) 5.576 6.976 ( 6.830 -6.962 -6.192) 11.552 9.020 ( -0.760 3.742 0.662) 3.876 9.108 ( -5.260 3.754 -0.503) 6.482 9.741 ( 1.696 3.910 0.877) 4.352 9.877 ( -3.341 5.987 -3.345) 7.629 ======================= Grid point 345 (177/205) ======================= q-point: (-0.11 0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.004 ( 4.148 7.593 8.118) 11.864 1.127 ( -2.903 8.410 -3.609) 9.601 1.392 ( 0.033 -2.596 -1.248) 2.880 1.429 ( -1.015 -0.954 -4.022) 4.257 1.984 ( -5.466 15.802 3.127) 17.011 2.011 ( 0.862 12.948 0.178) 12.978 2.389 ( 0.297 4.941 -2.447) 5.522 2.433 ( 2.721 3.616 -7.303) 8.591 3.100 ( 0.332 -3.108 4.887) 5.801 3.156 ( -1.482 -2.539 -1.748) 3.420 3.586 ( 1.344 3.422 14.311) 14.776 3.785 ( 1.344 1.517 -5.399) 5.767 4.889 ( 2.234 -4.156 3.279) 5.746 4.976 ( -0.009 -3.946 -5.727) 6.955 5.466 ( -6.521 -3.565 11.975) 14.094 5.656 ( 2.838 -3.075 -6.060) 7.364 5.873 ( -2.235 -2.841 3.198) 4.826 5.987 ( 2.281 0.978 -7.720) 8.109 6.854 ( -3.059 -2.436 8.842) 9.668 7.060 ( 4.152 -6.045 -12.019) 14.080 8.971 ( -0.813 4.216 1.995) 4.735 8.992 ( -3.406 3.675 -0.056) 5.011 9.704 ( -3.985 3.896 3.067) 6.361 9.775 ( 4.075 4.506 -4.116) 7.339 ======================= Grid point 348 (178/205) ======================= q-point: ( 0.22 0.22 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.179 ( 1.831 0.000 9.673) 9.845 1.253 ( 5.002 0.000 5.697) 7.581 1.300 ( -1.618 -0.000 4.475) 4.759 1.574 ( 3.045 0.000 -10.769) 11.191 2.287 ( 2.095 0.000 3.005) 3.663 2.337 ( 15.086 0.000 1.261) 15.138 2.537 ( 14.196 0.000 4.699) 14.954 2.874 ( 12.911 0.000 9.503) 16.031 3.254 ( 9.347 0.000 -14.928) 17.613 3.406 ( 0.967 0.000 -10.809) 10.852 3.424 ( 8.208 0.000 2.286) 8.520 3.571 ( -3.813 -0.000 -0.444) 3.838 4.629 ( -5.421 -0.000 -7.070) 8.909 4.840 ( -10.267 -0.000 1.718) 10.409 5.413 ( -12.529 -0.000 7.915) 14.819 5.579 ( -2.700 -0.000 -2.150) 3.452 5.663 ( -4.133 -0.000 3.107) 5.170 6.157 ( -0.359 -0.000 2.757) 2.780 6.739 ( -3.713 -0.000 -2.598) 4.532 6.746 ( -4.550 -0.000 1.413) 4.764 9.170 ( 2.694 0.000 2.962) 4.004 9.223 ( 1.695 0.000 6.899) 7.104 9.661 ( 4.298 0.000 1.823) 4.668 10.002 ( 5.789 0.000 1.277) 5.928 ======================= Grid point 349 (179/205) ======================= q-point: ( 0.33 0.22 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.196 ( 3.955 9.645 6.863) 12.481 1.320 ( -2.642 1.625 12.247) 12.633 1.384 ( 2.993 -2.874 0.630) 4.197 1.521 ( 2.021 -1.886 -11.582) 11.907 2.316 ( 5.196 5.132 3.370) 8.043 2.549 ( 11.656 -2.330 1.990) 12.052 2.713 ( 6.951 -0.774 2.404) 7.396 3.054 ( 6.273 1.555 -2.605) 6.968 3.267 ( 14.299 2.454 -8.168) 16.649 3.312 ( -0.483 6.969 -4.677) 8.407 3.569 ( 7.329 -10.233 -4.113) 13.242 3.664 ( 6.949 -5.980 8.554) 12.539 4.497 ( -4.333 2.045 -6.665) 8.208 4.668 ( -13.785 5.078 1.505) 14.767 5.321 ( -12.763 -2.170 7.941) 15.187 5.525 ( -4.177 -1.264 -1.822) 4.729 5.658 ( -2.532 -1.843 3.026) 4.355 6.144 ( -2.959 0.509 0.625) 3.067 6.685 ( -2.885 0.018 -0.201) 2.892 6.723 ( -0.238 -0.289 -0.200) 0.424 9.198 ( 1.395 3.161 3.121) 4.656 9.278 ( 0.286 0.759 5.039) 5.104 9.739 ( 4.793 -0.386 1.450) 5.023 10.081 ( 3.736 -0.904 0.976) 3.965 ======================= Grid point 350 (180/205) ======================= q-point: ( 0.44 0.22 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.168 ( 4.012 10.287 3.798) 11.676 1.351 ( -0.939 2.422 8.316) 8.712 1.413 ( 2.206 0.138 -3.255) 3.934 1.521 ( 1.271 -3.893 -4.394) 6.006 2.351 ( 6.742 5.368 2.690) 9.028 2.671 ( 5.374 3.793 1.093) 6.668 2.796 ( 2.157 -3.772 -0.727) 4.405 2.997 ( 4.607 4.887 -11.569) 13.377 3.167 ( -2.284 8.548 -1.871) 9.044 3.394 ( 11.282 6.049 5.827) 14.065 3.759 ( 5.071 -7.341 -1.991) 9.141 3.923 ( 7.390 -6.049 6.249) 11.413 4.403 ( 0.872 -1.445 -6.064) 6.294 4.426 ( -12.448 5.958 2.806) 14.082 5.272 ( -11.550 -4.410 8.492) 14.999 5.484 ( -3.583 -3.249 -2.629) 5.505 5.682 ( -2.512 -2.589 4.009) 5.394 6.096 ( -2.318 -0.490 -3.457) 4.191 6.667 ( -1.337 -0.958 1.365) 2.138 6.735 ( 1.295 -0.578 -0.436) 1.483 9.187 ( 1.162 4.442 2.496) 5.226 9.293 ( -0.487 2.084 3.835) 4.392 9.801 ( 3.819 0.838 1.008) 4.038 10.121 ( 1.129 -0.103 -0.771) 1.371 ======================= Grid point 351 (181/205) ======================= q-point: (-0.44 0.22 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( 4.615 9.210 2.394) 10.576 1.370 ( 0.012 1.474 3.406) 3.711 1.410 ( 1.703 1.661 -1.018) 2.588 1.547 ( 0.868 -2.755 -3.925) 4.874 2.393 ( 7.616 5.472 0.728) 9.406 2.635 ( -1.889 4.318 -0.068) 4.714 2.816 ( -1.185 -0.590 -4.529) 4.719 2.913 ( 9.680 13.881 -5.913) 17.926 3.041 ( -4.907 2.118 0.741) 5.395 3.455 ( 2.295 8.382 4.516) 9.794 3.708 ( -6.961 9.370 2.864) 12.019 4.021 ( 0.844 3.708 3.189) 4.963 4.363 ( 0.809 -6.097 3.225) 6.944 4.532 ( 8.167 -11.570 -3.470) 14.581 5.263 ( -9.913 -4.988 9.277) 14.464 5.475 ( -1.189 -4.762 -4.660) 6.768 5.716 ( -3.666 -2.741 6.562) 8.001 6.052 ( 0.088 -1.791 -7.773) 7.977 6.695 ( 0.675 -2.283 1.262) 2.695 6.760 ( 0.948 -1.801 0.199) 2.045 9.163 ( 1.446 4.783 1.889) 5.342 9.274 ( -1.440 3.212 2.600) 4.376 9.832 ( 2.940 2.321 0.999) 3.877 10.096 ( -1.164 1.986 -2.686) 3.537 ======================= Grid point 352 (182/205) ======================= q-point: (-0.33 0.22 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.124 ( 6.836 6.643 5.918) 11.219 1.359 ( -1.303 2.001 1.462) 2.800 1.391 ( -0.038 1.866 -1.695) 2.521 1.536 ( -0.079 -0.253 -6.202) 6.207 2.395 ( 3.845 7.617 0.463) 8.545 2.550 ( -0.821 5.306 -2.105) 5.767 2.703 ( -3.444 10.860 0.729) 11.416 2.808 ( 5.225 11.104 -6.344) 13.815 3.001 ( -0.976 0.633 1.037) 1.558 3.238 ( -12.536 8.816 -1.018) 15.360 3.659 ( 4.414 8.130 11.308) 14.611 3.956 ( -1.558 6.339 0.653) 6.560 4.548 ( 4.747 -9.920 3.597) 11.570 4.727 ( 4.306 -10.799 -4.579) 12.495 5.290 ( -7.666 -5.299 10.333) 13.915 5.497 ( 1.845 -5.465 -6.975) 9.051 5.760 ( -4.135 -2.849 8.634) 9.988 6.018 ( 1.789 -1.760 -9.737) 10.055 6.741 ( 0.090 -2.151 1.845) 2.835 6.818 ( 1.775 -5.234 -1.140) 5.643 9.135 ( 1.550 5.239 1.608) 5.695 9.214 ( -3.138 4.535 1.413) 5.693 9.838 ( 2.315 3.650 1.658) 4.629 10.007 ( -2.204 4.272 -3.936) 6.213 ======================= Grid point 353 (183/205) ======================= q-point: (-0.22 0.22 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.201 ( 5.225 6.479 9.297) 12.478 1.307 ( -4.827 3.681 3.770) 7.145 1.346 ( 0.030 0.260 -5.680) 5.686 1.443 ( -1.870 2.414 -7.601) 8.191 2.305 ( -4.980 9.901 5.370) 12.316 2.413 ( 0.945 15.676 -2.333) 15.877 2.544 ( -0.589 8.170 -0.667) 8.218 2.639 ( 3.256 13.033 -7.209) 15.246 3.032 ( 2.565 -0.719 4.458) 5.193 3.089 ( -3.332 -1.662 -1.927) 4.192 3.713 ( 4.010 6.833 10.572) 13.211 3.857 ( -1.634 4.472 -3.590) 5.963 4.736 ( 2.195 -8.377 3.601) 9.379 4.827 ( -0.086 -8.234 -5.845) 10.098 5.353 ( -6.295 -5.305 11.147) 13.857 5.546 ( 4.268 -5.511 -8.070) 10.663 5.811 ( -4.037 -2.374 9.058) 10.197 5.988 ( 2.667 -0.962 -9.274) 9.698 6.785 ( -2.051 -2.857 5.065) 6.166 6.893 ( 1.562 -6.756 -5.333) 8.748 9.100 ( 1.627 5.791 1.911) 6.312 9.110 ( -4.249 5.655 0.913) 7.132 9.819 ( -1.327 4.933 3.283) 6.072 9.899 ( 1.528 5.069 -4.849) 7.179 ======================= Grid point 354 (184/205) ======================= q-point: (-0.11 0.22 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.080 ( -9.903 8.450 -4.758) 13.860 1.217 ( -1.822 4.851 2.467) 5.740 1.326 ( -1.440 1.291 2.720) 3.337 1.450 ( 6.104 -2.124 0.069) 6.463 2.107 ( -6.474 13.436 4.733) 15.647 2.265 ( 4.299 12.886 4.550) 14.326 2.463 ( 3.918 7.501 -6.862) 10.896 2.529 ( 7.627 8.946 -1.521) 11.854 3.093 ( 0.564 -3.970 -1.689) 4.351 3.134 ( 4.889 -0.991 3.584) 6.142 3.738 ( 0.019 4.049 0.393) 4.068 3.758 ( 0.878 3.640 -2.487) 4.495 4.843 ( -2.857 -6.423 -5.021) 8.638 4.863 ( -1.356 -6.231 2.004) 6.684 5.422 ( -5.951 -4.592 10.577) 12.976 5.603 ( 3.871 -4.032 -6.347) 8.457 5.845 ( -4.131 -0.587 6.705) 7.898 5.976 ( 3.590 -1.196 -5.815) 6.938 6.832 ( -4.851 -3.301 7.508) 9.529 6.924 ( -0.745 -5.617 -8.020) 9.820 9.009 ( -2.388 4.497 1.767) 5.390 9.074 ( 2.398 5.194 2.909) 6.418 9.730 ( -3.820 5.387 1.785) 6.841 9.869 ( 5.568 4.388 -2.223) 7.430 ======================= Grid point 358 (185/205) ======================= q-point: ( 0.33 0.33 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.349 ( -3.290 -0.000 8.344) 8.969 1.353 ( -0.542 -0.000 6.671) 6.693 1.428 ( 3.351 0.000 1.643) 3.732 1.430 ( 2.404 0.000 -11.351) 11.603 2.466 ( 8.097 0.000 3.028) 8.645 2.662 ( 8.767 0.000 -1.647) 8.920 2.767 ( -0.221 -0.000 -0.130) 0.256 3.041 ( 3.451 0.000 -11.976) 12.464 3.425 ( 5.032 0.000 -1.505) 5.252 3.510 ( 18.683 0.000 4.064) 19.120 3.523 ( 8.987 0.000 -2.596) 9.355 3.781 ( 6.276 0.000 8.673) 10.706 4.407 ( -3.930 -0.000 -5.867) 7.062 4.532 ( -14.999 -0.000 2.026) 15.135 5.203 ( -12.782 -0.000 9.234) 15.769 5.439 ( -5.104 -0.000 -2.353) 5.620 5.647 ( -1.884 -0.000 3.918) 4.347 6.091 ( -4.467 -0.000 -1.951) 4.874 6.655 ( -1.985 -0.000 0.924) 2.189 6.727 ( 1.590 0.000 -1.040) 1.900 9.257 ( 0.426 0.000 3.584) 3.609 9.314 ( -0.200 -0.000 3.265) 3.271 9.813 ( 4.502 0.000 1.927) 4.897 10.116 ( 2.100 0.000 -0.564) 2.174 ======================= Grid point 359 (186/205) ======================= q-point: ( 0.44 0.33 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.284 ( 0.031 4.734 -3.160) 5.692 1.377 ( -2.356 -1.538 1.290) 3.095 1.440 ( 1.136 0.611 3.079) 3.338 1.482 ( 1.719 -1.638 0.418) 2.411 2.555 ( 9.866 6.356 1.290) 11.807 2.704 ( -1.435 1.359 -3.530) 4.045 2.753 ( 1.563 -3.351 -4.362) 5.718 3.014 ( 1.866 0.150 -3.130) 3.647 3.355 ( 7.094 15.489 -1.473) 17.100 3.677 ( 11.114 7.840 0.655) 13.616 3.744 ( 7.967 -5.928 3.947) 10.686 3.969 ( 4.936 -7.201 5.916) 10.546 4.330 ( -1.678 -2.529 -5.419) 6.211 4.349 ( -11.961 2.130 3.983) 12.786 5.153 ( -10.155 -3.042 10.136) 14.667 5.376 ( -3.474 -2.651 -3.196) 5.414 5.664 ( -2.506 -1.219 5.478) 6.146 6.017 ( -3.149 -0.811 -4.861) 5.849 6.653 ( -0.622 -0.918 1.541) 1.898 6.738 ( 1.019 -0.349 -1.358) 1.734 9.266 ( 0.416 2.939 2.982) 4.207 9.327 ( -0.734 0.764 2.383) 2.608 9.873 ( 3.364 0.959 2.058) 4.059 10.120 ( 0.405 0.252 -2.412) 2.459 ======================= Grid point 360 (187/205) ======================= q-point: ( 0.56 0.33 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.230 ( 1.633 2.839 -0.327) 3.291 1.362 ( -3.884 -1.567 -0.293) 4.198 1.452 ( 0.542 2.283 1.905) 3.023 1.517 ( 1.657 -0.912 -1.433) 2.373 2.574 ( 3.150 6.177 -0.640) 6.964 2.634 ( 2.137 2.603 -3.817) 5.091 2.775 ( 2.410 -0.152 -1.694) 2.950 2.991 ( -5.097 0.958 0.183) 5.189 3.248 ( 11.862 17.825 -1.765) 21.484 3.551 ( -8.976 13.818 -1.539) 16.549 3.859 ( 6.033 6.498 7.892) 11.870 4.091 ( 0.064 2.868 2.787) 4.000 4.294 ( -1.436 -8.897 3.435) 9.645 4.431 ( 3.589 -12.501 -4.066) 13.627 5.168 ( -7.416 -4.205 10.475) 13.506 5.369 ( 0.218 -4.656 -5.171) 6.962 5.698 ( -3.515 -1.955 8.277) 9.203 5.965 ( -0.251 -2.190 -7.681) 7.991 6.684 ( 0.425 -2.168 1.412) 2.622 6.742 ( -0.353 -1.313 -0.947) 1.657 9.253 ( 1.039 3.947 2.326) 4.698 9.307 ( -1.686 2.658 1.643) 3.551 9.909 ( 2.581 2.015 2.332) 4.020 10.080 ( -0.978 1.713 -3.796) 4.278 ======================= Grid point 361 (188/205) ======================= q-point: (-0.33 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.258 ( 1.777 -0.387 5.111) 5.424 1.309 ( -4.970 -0.561 -1.644) 5.265 1.433 ( 0.191 3.635 1.514) 3.942 1.506 ( -0.055 1.663 -4.087) 4.413 2.496 ( -4.821 5.513 3.554) 8.140 2.611 ( 5.612 3.984 -8.174) 10.685 2.785 ( 1.111 6.332 5.022) 8.158 2.873 ( -2.358 4.071 -4.113) 6.249 3.183 ( -7.285 13.740 2.082) 15.691 3.225 ( 6.159 14.208 -2.064) 15.623 3.904 ( 5.867 8.214 7.384) 12.507 3.991 ( -4.709 5.943 -1.108) 7.663 4.484 ( 1.721 -11.967 3.823) 12.680 4.576 ( 0.474 -12.084 -5.582) 13.319 5.226 ( -5.068 -4.671 10.537) 12.591 5.409 ( 3.957 -5.385 -7.363) 9.943 5.753 ( -3.579 -2.215 10.532) 11.342 5.942 ( 1.966 -2.651 -9.070) 9.652 6.725 ( -0.776 -2.129 1.917) 2.968 6.758 ( -0.542 -3.917 -1.067) 4.095 9.231 ( 0.311 4.608 2.257) 5.140 9.244 ( -1.874 4.764 0.816) 5.184 9.923 ( 0.645 3.295 3.243) 4.668 10.003 ( -0.117 3.188 -4.757) 5.728 ======================= Grid point 362 (189/205) ======================= q-point: (-0.22 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.201 ( -9.020 0.757 -2.224) 9.321 1.338 ( -6.102 3.811 8.186) 10.898 1.391 ( 4.904 2.070 -0.857) 5.392 1.430 ( -0.030 2.647 -1.989) 3.312 2.358 ( -8.374 7.743 4.491) 12.257 2.567 ( 5.479 4.165 -6.040) 9.157 2.681 ( -4.815 18.301 5.646) 19.748 2.759 ( 1.527 5.069 -2.765) 5.973 3.012 ( -1.233 -1.534 0.215) 1.980 3.230 ( 12.763 10.364 0.352) 16.445 3.837 ( -4.177 5.047 -5.875) 8.800 3.917 ( 4.145 7.824 4.564) 9.962 4.638 ( -2.802 -10.308 -2.648) 11.005 4.660 ( -1.892 -10.066 -0.288) 10.247 5.309 ( -3.616 -4.428 9.812) 11.356 5.482 ( 5.912 -5.469 -7.319) 10.882 5.820 ( -2.935 -1.395 10.938) 11.411 5.933 ( 2.676 -2.380 -8.569) 9.287 6.752 ( -2.931 -2.966 3.528) 5.462 6.792 ( -0.964 -4.629 -2.178) 5.206 9.140 ( -3.557 5.750 1.093) 6.849 9.207 ( 1.357 5.224 2.071) 5.781 9.860 ( -3.653 4.835 0.403) 6.073 9.971 ( 4.338 3.526 -1.154) 5.708 ======================= Grid point 363 (190/205) ======================= q-point: (-0.11 0.33 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.977 ( -11.181 7.314 -6.919) 15.046 1.224 ( -6.603 2.717 5.938) 9.287 1.384 ( -1.266 3.179 3.319) 4.767 1.505 ( 4.789 -2.272 2.024) 5.674 2.201 ( -6.526 8.399 5.990) 12.207 2.455 ( -1.780 11.702 2.224) 12.043 2.565 ( 5.759 4.050 -1.860) 7.282 2.736 ( 6.164 6.127 0.303) 8.696 3.069 ( 3.739 -2.780 -0.372) 4.674 3.288 ( 11.304 6.364 1.084) 13.018 3.678 ( -1.775 3.756 -11.056) 11.810 3.886 ( 2.290 7.533 0.915) 7.927 4.654 ( -4.487 -7.910 -6.827) 11.371 4.746 ( -6.169 -9.141 2.916) 11.407 5.385 ( -3.285 -3.351 8.347) 9.575 5.564 ( 4.452 -3.997 -4.665) 7.587 5.854 ( -2.525 1.242 4.163) 5.025 5.959 ( 3.013 -3.355 -0.997) 4.618 6.771 ( -4.170 -3.364 2.233) 5.805 6.806 ( -2.964 -3.466 -0.656) 4.607 9.050 ( -1.941 4.146 1.789) 4.915 9.180 ( 1.027 4.327 2.658) 5.181 9.762 ( -2.328 4.610 0.144) 5.167 9.980 ( 4.697 3.966 0.265) 6.153 ======================= Grid point 368 (191/205) ======================= q-point: ( 0.44 0.44 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.280 ( 1.849 0.000 -5.921) 6.203 1.320 ( -5.416 -0.000 1.751) 5.693 1.482 ( 0.281 0.000 3.286) 3.298 1.503 ( 1.369 0.000 0.981) 1.684 2.639 ( -4.551 -0.000 -0.793) 4.619 2.688 ( 4.023 0.000 -10.113) 10.884 2.771 ( 9.118 0.000 3.543) 9.782 3.001 ( -3.088 -0.000 0.666) 3.159 3.565 ( 8.211 0.000 -1.580) 8.362 3.744 ( 3.056 0.000 -2.550) 3.980 3.948 ( 0.444 0.000 7.033) 7.047 4.008 ( 14.692 0.000 2.849) 14.966 4.228 ( -4.444 -0.000 -4.331) 6.205 4.247 ( -10.392 -0.000 4.928) 11.501 5.111 ( -6.459 -0.000 10.395) 12.239 5.303 ( -0.591 -0.000 -3.865) 3.910 5.674 ( -2.586 -0.000 7.184) 7.635 5.934 ( -1.987 -0.000 -6.146) 6.460 6.656 ( 0.031 0.000 1.737) 1.737 6.728 ( -0.289 -0.000 -1.734) 1.758 9.307 ( -0.380 -0.000 2.917) 2.942 9.337 ( -0.472 -0.000 1.173) 1.264 9.934 ( 2.326 0.000 2.753) 3.604 10.099 ( -0.211 -0.000 -3.803) 3.809 ======================= Grid point 369 (192/205) ======================= q-point: (-0.44 -0.56 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.252 ( -4.381 0.157 2.095) 4.858 1.287 ( 0.645 -0.951 -2.088) 2.383 1.493 ( -0.283 1.350 1.954) 2.392 1.521 ( 0.752 -0.092 -0.709) 1.038 2.570 ( -5.272 1.108 2.057) 5.767 2.665 ( 4.337 0.806 -7.784) 8.947 2.892 ( 6.436 2.708 3.069) 7.627 2.929 ( -5.656 1.218 -0.919) 5.859 3.560 ( -1.747 13.387 1.098) 13.545 3.593 ( -0.007 12.194 -2.288) 12.407 4.055 ( 4.547 1.195 5.228) 7.031 4.110 ( -6.096 3.160 0.789) 6.912 4.198 ( -0.015 -8.158 3.905) 9.044 4.273 ( 3.826 -10.612 -4.673) 12.210 5.140 ( -3.505 -2.057 9.481) 10.316 5.302 ( 3.372 -2.732 -5.840) 7.276 5.713 ( -2.215 -0.852 9.669) 9.956 5.881 ( 0.530 -1.702 -7.606) 7.812 6.679 ( 0.049 -1.163 1.848) 2.185 6.708 ( -1.576 -0.710 -1.117) 2.058 9.312 ( -0.286 1.750 2.272) 2.882 9.326 ( -0.811 1.749 0.700) 2.052 9.976 ( 1.627 1.055 3.171) 3.717 10.053 ( -0.765 0.997 -4.550) 4.720 ======================= Grid point 370 (193/205) ======================= q-point: (-0.33 -0.56 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.198 ( -6.928 -0.533 1.838) 7.187 1.325 ( 1.806 -1.024 3.617) 4.170 1.478 ( -0.654 2.202 1.445) 2.714 1.500 ( -0.856 2.056 -2.243) 3.161 2.502 ( -6.786 3.438 4.526) 8.852 2.644 ( 2.950 2.527 -5.249) 6.530 2.794 ( -4.945 1.398 -1.594) 5.380 2.978 ( 5.838 1.706 1.651) 6.302 3.210 ( -13.732 18.649 1.944) 23.240 3.541 ( 8.892 12.527 -0.147) 15.362 3.958 ( -8.131 3.114 -1.498) 8.835 4.094 ( 2.915 5.456 2.516) 6.678 4.349 ( -1.082 -12.670 -0.298) 12.720 4.410 ( 2.630 -8.596 -3.145) 9.523 5.214 ( -1.364 -3.184 8.699) 9.364 5.355 ( 6.179 -4.445 -7.459) 10.658 5.787 ( -1.111 -1.048 11.236) 11.340 5.866 ( 2.249 -2.742 -8.395) 9.114 6.694 ( -2.201 -1.687 0.374) 2.798 6.710 ( -0.827 -2.112 1.637) 2.797 9.267 ( -2.546 4.206 0.826) 4.986 9.309 ( 0.742 2.781 1.423) 3.211 9.958 ( -2.721 3.198 -1.210) 4.370 10.027 ( 2.788 1.008 -0.015) 2.965 ======================= Grid point 371 (194/205) ======================= q-point: (-0.22 -0.56 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.110 ( -7.789 2.999 1.710) 8.520 1.336 ( -8.253 3.908 4.719) 10.278 1.450 ( -1.938 1.907 2.788) 3.894 1.461 ( 4.563 0.234 -1.357) 4.766 2.365 ( -8.309 5.968 3.461) 10.800 2.626 ( 3.298 1.786 -1.250) 3.953 2.763 ( -2.475 1.036 0.537) 2.736 2.845 ( -9.160 14.182 2.349) 17.046 3.039 ( 4.552 1.313 1.148) 4.875 3.497 ( 4.788 8.504 -0.814) 9.794 3.811 ( -1.809 5.551 -4.969) 7.667 4.064 ( 2.297 5.834 -0.726) 6.312 4.446 ( -1.198 -8.692 -4.574) 9.895 4.498 ( -3.967 -9.313 -0.060) 10.122 5.308 ( -0.447 -3.032 7.853) 8.430 5.447 ( 7.022 -5.169 -6.267) 10.738 5.863 ( 1.466 -1.585 -5.057) 5.498 5.881 ( 1.220 -1.542 8.095) 8.330 6.696 ( -2.317 -2.449 0.872) 3.482 6.733 ( -2.228 -2.392 2.100) 3.885 9.174 ( -3.024 5.478 0.728) 6.300 9.287 ( 0.322 3.888 1.307) 4.114 9.862 ( -3.174 3.588 -1.768) 5.106 10.055 ( 3.115 1.883 1.120) 3.808 ======================= Grid point 372 (195/205) ======================= q-point: (-0.11 -0.56 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.911 ( -9.875 9.797 -1.936) 14.044 1.217 ( -8.362 2.411 8.758) 12.347 1.416 ( -0.869 2.107 0.851) 2.432 1.539 ( 3.055 -2.201 0.956) 3.884 2.246 ( -5.369 4.640 5.128) 8.754 2.534 ( -6.273 8.449 -0.341) 10.529 2.683 ( 4.306 2.819 4.715) 6.980 2.827 ( 3.624 -0.157 1.040) 3.774 3.083 ( 1.316 -1.378 0.129) 1.910 3.427 ( -1.792 2.168 -5.865) 6.505 3.727 ( 7.764 8.377 -3.165) 11.852 4.000 ( 2.532 6.827 -3.535) 8.095 4.473 ( -0.601 -5.111 -6.393) 8.207 4.535 ( -9.258 -9.892 0.890) 13.578 5.387 ( -1.405 -1.869 7.214) 7.584 5.544 ( 4.781 -3.735 -3.440) 6.974 5.848 ( 0.237 -0.085 -4.260) 4.268 5.987 ( 3.134 -1.393 6.802) 7.618 6.702 ( -2.243 -2.135 0.530) 3.141 6.743 ( -3.354 -2.066 2.558) 4.696 9.086 ( -1.995 4.082 1.185) 4.695 9.246 ( -0.551 3.739 1.370) 4.020 9.778 ( -1.901 2.720 -0.775) 3.407 10.075 ( 2.957 2.326 0.985) 3.889 ======================= Grid point 378 (196/205) ======================= q-point: (-0.44 -0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.189 ( -6.362 -0.000 3.384) 7.206 1.314 ( 2.258 0.000 1.597) 2.766 1.507 ( -0.140 -0.000 0.252) 0.289 1.518 ( -0.600 -0.000 -0.458) 0.754 2.537 ( -5.164 -0.000 4.957) 7.158 2.675 ( 4.078 0.000 -4.776) 6.280 2.826 ( -7.987 -0.000 -2.387) 8.336 2.997 ( 2.485 0.000 1.634) 2.974 3.546 ( -9.485 -0.000 0.194) 9.487 3.700 ( -2.538 -0.000 1.928) 3.188 3.991 ( -13.962 -0.000 3.223) 14.329 4.065 ( -1.126 -0.000 -3.346) 3.531 4.186 ( 6.592 0.000 1.453) 6.750 4.324 ( 10.759 0.000 -3.087) 11.193 5.170 ( -0.505 -0.000 7.853) 7.869 5.294 ( 6.027 0.000 -7.432) 9.569 5.775 ( -0.021 -0.000 10.988) 10.988 5.825 ( 2.012 0.000 -7.935) 8.186 6.673 ( -2.048 -0.000 -0.245) 2.063 6.685 ( -0.754 -0.000 2.328) 2.447 9.330 ( -1.104 -0.000 0.455) 1.194 9.334 ( -0.104 -0.000 1.496) 1.500 10.009 ( -1.501 -0.000 -4.715) 4.948 10.028 ( 1.529 0.000 3.238) 3.581 ======================= Grid point 379 (197/205) ======================= q-point: (-0.33 -0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.150 ( -5.650 0.648 6.469) 8.614 1.352 ( -1.272 -0.488 4.411) 4.616 1.492 ( -1.552 1.162 -0.010) 1.939 1.500 ( 0.784 1.079 -1.865) 2.293 2.497 ( -7.142 3.723 6.491) 10.345 2.655 ( -2.091 0.678 -2.634) 3.431 2.746 ( 0.715 -0.548 -2.083) 2.269 2.987 ( -6.084 0.135 1.452) 6.256 3.321 ( -7.153 15.694 1.933) 17.356 3.650 ( -8.038 0.947 1.459) 8.224 3.819 ( -11.865 -2.852 -0.855) 12.233 4.080 ( -1.884 -5.161 -4.168) 6.896 4.282 ( 5.417 -1.379 -0.030) 5.590 4.427 ( 10.509 1.373 -3.882) 11.287 5.245 ( 1.100 -1.650 7.328) 7.592 5.339 ( 7.778 -2.875 -7.786) 11.375 5.804 ( 2.849 -1.592 -8.131) 8.762 5.877 ( 2.189 0.019 10.948) 11.165 6.657 ( -1.601 -0.766 0.946) 2.011 6.693 ( -1.927 -0.868 2.586) 3.340 9.290 ( -2.051 3.452 0.385) 4.034 9.344 ( 0.320 0.502 0.665) 0.892 9.934 ( -2.658 2.020 -4.005) 5.214 10.072 ( 1.654 -0.157 2.215) 2.769 ======================= Grid point 380 (198/205) ======================= q-point: (-0.22 -0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.108 ( -6.114 4.920 7.553) 10.892 1.307 ( -9.837 3.589 5.517) 11.836 1.461 ( -1.506 1.091 1.196) 2.211 1.498 ( 3.936 -0.256 -3.073) 5.000 2.359 ( -7.281 5.724 2.723) 9.653 2.658 ( -0.328 -1.777 1.709) 2.488 2.741 ( -4.745 2.177 1.524) 5.438 2.862 ( -6.602 3.236 2.615) 7.803 3.134 ( -1.091 7.596 2.064) 7.947 3.485 ( -11.399 2.435 -2.598) 11.942 3.769 ( -5.426 -6.141 -1.745) 8.378 4.058 ( -3.418 -3.646 -6.559) 8.246 4.345 ( 2.148 -1.333 0.014) 2.528 4.493 ( 10.796 4.601 -4.033) 12.409 5.338 ( 0.620 -1.939 7.017) 7.306 5.437 ( 7.942 -4.465 -5.375) 10.578 5.805 ( 2.833 -2.365 -7.552) 8.406 5.992 ( 4.322 0.915 8.935) 9.967 6.663 ( -1.140 -1.020 1.618) 2.227 6.698 ( -2.618 -1.500 2.729) 4.068 9.207 ( -2.754 5.094 0.362) 5.802 9.332 ( 0.070 2.428 -0.119) 2.431 9.839 ( -3.359 2.346 -2.808) 4.967 10.104 ( 1.348 0.089 0.833) 1.587 ======================= Grid point 381 (199/205) ======================= q-point: (-0.11 -0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.920 ( -10.689 12.202 1.107) 16.259 1.214 ( -8.544 1.600 12.463) 15.195 1.434 ( 0.961 1.710 -2.193) 2.942 1.546 ( 2.586 -2.268 -1.329) 3.688 2.266 ( -2.948 2.464 2.809) 4.759 2.519 ( -8.944 5.970 -0.358) 10.759 2.773 ( -0.329 -4.290 7.205) 8.392 2.851 ( 0.353 -0.150 1.405) 1.457 3.095 ( 0.050 2.281 3.280) 3.996 3.297 ( -10.036 -0.350 -6.870) 12.168 3.779 ( -3.493 -5.942 -0.460) 6.908 3.984 ( -5.479 -3.254 -8.327) 10.486 4.375 ( 0.851 -0.052 0.879) 1.225 4.533 ( 11.667 6.997 -3.790) 14.122 5.405 ( -1.824 -1.091 6.962) 7.279 5.542 ( 5.290 -3.078 -2.429) 6.585 5.809 ( 1.814 -1.452 -5.424) 5.901 6.094 ( 5.997 1.635 3.763) 7.266 6.673 ( -1.417 -0.827 2.372) 2.884 6.710 ( -1.336 -1.372 2.493) 3.144 9.118 ( -2.268 4.258 0.531) 4.854 9.284 ( -0.939 3.590 -0.522) 3.747 9.765 ( -2.348 0.788 -1.266) 2.781 10.115 ( 0.398 0.043 -0.427) 0.585 ======================= Grid point 388 (200/205) ======================= q-point: (-0.33 -0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.164 ( -4.705 -0.000 11.917) 12.812 1.343 ( -5.807 -0.000 4.894) 7.594 1.473 ( -1.656 -0.000 -1.314) 2.113 1.509 ( 2.903 0.000 -3.853) 4.824 2.512 ( -8.131 -0.000 10.924) 13.618 2.550 ( -5.189 -0.000 -5.749) 7.744 2.766 ( 2.317 0.000 -0.693) 2.418 2.895 ( -10.557 -0.000 3.558) 11.140 3.375 ( -7.944 -0.000 2.418) 8.304 3.471 ( -13.793 -0.000 3.172) 14.153 3.612 ( -13.472 -0.000 -3.646) 13.956 3.964 ( -2.959 -0.000 -8.659) 9.151 4.363 ( 7.284 0.000 -0.971) 7.349 4.577 ( 13.671 0.000 -2.646) 13.925 5.311 ( 1.170 0.000 7.777) 7.864 5.369 ( 9.444 0.000 -7.371) 11.980 5.771 ( 3.478 0.000 -7.943) 8.671 6.005 ( 5.304 0.000 8.846) 10.314 6.651 ( -0.320 -0.000 1.651) 1.681 6.678 ( -2.961 -0.000 3.053) 4.253 9.289 ( -2.773 -0.000 0.340) 2.794 9.350 ( 0.688 0.000 -0.568) 0.892 9.876 ( -3.251 -0.000 -4.504) 5.555 10.098 ( 0.539 0.000 1.183) 1.300 ======================= Grid point 389 (201/205) ======================= q-point: (-0.22 -0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.177 ( -6.317 6.267 10.934) 14.097 1.261 ( -10.781 2.052 8.116) 13.649 1.447 ( -0.625 -1.343 -1.912) 2.418 1.511 ( 4.048 0.195 -6.346) 7.529 2.365 ( -6.220 6.416 1.143) 9.009 2.556 ( -8.021 -7.176 0.296) 10.766 2.720 ( -7.516 3.843 2.746) 8.877 2.830 ( -5.924 -1.868 7.625) 9.835 3.225 ( -4.186 6.784 4.403) 9.107 3.304 ( -14.247 1.983 -2.595) 14.617 3.540 ( -8.529 -11.497 -1.409) 14.384 3.861 ( -5.476 -3.822 -10.533) 12.472 4.437 ( 7.476 2.434 -0.303) 7.868 4.703 ( 13.551 4.734 -2.269) 14.532 5.382 ( -0.559 -0.491 7.892) 7.927 5.462 ( 9.268 -2.620 -4.687) 10.711 5.770 ( 4.243 -1.145 -7.139) 8.383 6.133 ( 7.418 1.035 3.739) 8.371 6.663 ( -1.032 0.123 3.125) 3.294 6.679 ( -0.766 -1.071 2.939) 3.221 9.226 ( -3.567 3.496 0.332) 5.006 9.346 ( 0.424 0.837 -2.002) 2.211 9.790 ( -3.606 1.063 -3.761) 5.318 10.101 ( -1.163 -0.803 -1.015) 1.741 ======================= Grid point 390 (202/205) ======================= q-point: (-0.11 -0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.933 ( -13.465 13.242 1.669) 18.959 1.242 ( -6.741 1.309 14.530) 16.071 1.444 ( 2.027 0.632 -4.444) 4.925 1.527 ( 2.633 -2.964 -3.977) 5.616 2.264 ( -3.426 0.923 -0.702) 3.617 2.444 ( -9.120 1.537 -1.151) 9.320 2.652 ( -9.223 -5.960 0.644) 11.000 2.888 ( -3.050 -2.941 13.606) 14.251 3.084 ( -12.457 -1.029 -6.944) 14.299 3.193 ( 1.314 4.246 5.852) 7.349 3.560 ( -10.538 -10.555 -0.289) 14.918 3.768 ( -4.110 -5.098 -8.686) 10.878 4.491 ( 7.573 4.619 1.011) 8.928 4.776 ( 12.748 7.377 -2.268) 14.902 5.423 ( -3.000 0.085 7.707) 8.271 5.568 ( 6.212 -1.863 -2.076) 6.809 5.788 ( 3.830 -0.889 -5.192) 6.513 6.202 ( 5.741 2.147 -3.718) 7.169 6.690 ( 1.373 0.234 3.505) 3.771 6.722 ( 1.919 -0.692 3.805) 4.318 9.135 ( -3.537 3.704 0.195) 5.125 9.299 ( -0.989 2.851 -3.020) 4.269 9.722 ( -2.381 -0.533 -2.005) 3.158 10.074 ( -3.174 -2.000 -2.620) 4.575 ======================= Grid point 398 (203/205) ======================= q-point: (-0.22 -0.22 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.169 ( -13.771 -0.000 6.829) 15.371 1.262 ( -7.562 -0.000 13.729) 15.674 1.396 ( 1.296 0.000 -4.136) 4.334 1.504 ( 3.782 0.000 -8.934) 9.702 2.315 ( -17.175 -0.000 4.997) 17.887 2.391 ( 1.231 0.000 -7.606) 7.705 2.619 ( -13.059 -0.000 -3.553) 13.534 2.825 ( -8.790 -0.000 21.636) 23.353 3.075 ( -12.618 -0.000 -8.220) 15.059 3.334 ( -4.488 -0.000 -0.065) 4.489 3.336 ( -3.233 -0.000 7.977) 8.607 3.700 ( -2.844 -0.000 -10.348) 10.731 4.554 ( 8.165 0.000 0.616) 8.188 4.873 ( 11.120 0.000 -2.241) 11.343 5.429 ( -2.756 -0.000 9.756) 10.138 5.533 ( 9.577 0.000 -4.268) 10.485 5.774 ( 5.745 0.000 -6.614) 8.761 6.231 ( 5.782 0.000 -3.932) 6.992 6.699 ( 1.245 0.000 2.451) 2.749 6.707 ( 3.415 0.000 5.735) 6.675 9.195 ( -5.348 -0.000 0.598) 5.381 9.333 ( 0.332 0.000 -4.415) 4.427 9.722 ( -2.683 -0.000 -4.356) 5.116 10.041 ( -4.790 -0.000 -2.776) 5.536 ======================= Grid point 399 (204/205) ======================= q-point: (-0.11 -0.22 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.945 ( -13.121 12.700 4.866) 18.897 1.248 ( -7.467 -2.986 6.837) 10.556 1.433 ( 1.270 -0.524 -1.324) 1.908 1.485 ( 2.563 -2.648 -5.491) 6.613 2.137 ( -14.124 -1.970 0.544) 14.271 2.369 ( 1.482 -0.443 -5.985) 6.181 2.424 ( -14.736 -5.033 -3.199) 15.897 2.837 ( -13.942 -2.273 -4.436) 14.806 2.939 ( -3.516 -1.502 16.402) 16.841 3.284 ( -1.374 2.385 5.138) 5.829 3.363 ( -6.502 -2.863 0.799) 7.150 3.657 ( 2.047 -3.041 -3.056) 4.772 4.650 ( 7.905 2.690 1.844) 8.551 4.956 ( 8.425 3.004 -2.751) 9.358 5.456 ( -4.070 1.129 9.800) 10.671 5.617 ( 6.637 -0.483 -2.902) 7.259 5.803 ( 5.741 -0.087 -5.244) 7.776 6.214 ( 0.829 0.972 -8.094) 8.195 6.736 ( 1.262 0.190 3.325) 3.561 6.838 ( 11.400 0.877 2.364) 11.676 9.111 ( -6.003 1.736 0.398) 6.262 9.273 ( -2.008 1.427 -6.395) 6.853 9.672 ( -0.537 -0.728 -3.258) 3.381 9.953 ( -7.416 -2.625 -2.710) 8.321 ======================= Grid point 408 (205/205) ======================= q-point: (-0.11 -0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.951 ( -11.699 -0.000 9.535) 15.092 1.108 ( -6.163 -0.000 -2.502) 6.651 1.435 ( 2.776 0.000 -8.535) 8.975 1.471 ( -0.646 -0.000 5.521) 5.559 1.944 ( -13.548 -0.000 0.546) 13.559 2.145 ( -15.908 -0.000 -4.691) 16.585 2.363 ( 5.654 0.000 -8.394) 10.121 2.606 ( -10.898 -0.000 -8.026) 13.534 3.041 ( -2.943 -0.000 18.465) 18.698 3.282 ( -4.334 -0.000 -2.374) 4.942 3.319 ( -2.059 -0.000 9.669) 9.885 3.688 ( 4.891 0.000 1.519) 5.122 4.777 ( 6.670 0.000 2.660) 7.181 5.031 ( 4.888 0.000 -3.543) 6.037 5.486 ( -5.435 -0.000 11.074) 12.335 5.668 ( 5.079 0.000 -3.261) 6.036 5.843 ( 6.702 0.000 -5.129) 8.440 6.142 ( -2.290 -0.000 -8.321) 8.631 6.785 ( 0.620 0.000 5.561) 5.595 7.017 ( 15.802 0.000 -5.213) 16.640 9.037 ( -7.252 -0.000 0.676) 7.284 9.175 ( -5.204 -0.000 -8.724) 10.158 9.651 ( 2.563 0.000 -3.887) 4.656 9.814 ( -9.183 -0.000 0.476) 9.196 =================== 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 59.630 33.298 125.076 -0.000 1.229 -0.000 3/17496 20.0 28.043 14.983 59.741 -0.000 -3.408 -0.000 3/17496 30.0 15.157 8.430 29.881 -0.000 -2.301 -0.000 3/17496 40.0 9.682 5.625 17.811 -0.000 -1.594 -0.000 3/17496 50.0 6.949 4.168 12.140 -0.000 -1.176 -0.000 3/17496 60.0 5.388 3.303 9.063 -0.000 -0.921 -0.000 3/17496 70.0 4.402 2.738 7.199 -0.000 -0.757 -0.000 3/17496 80.0 3.729 2.343 5.971 -0.000 -0.644 -0.000 3/17496 90.0 3.243 2.052 5.108 -0.000 -0.562 -0.000 3/17496 100.0 2.875 1.829 4.469 -0.000 -0.500 -0.000 3/17496 110.0 2.587 1.652 3.978 -0.000 -0.451 -0.000 3/17496 120.0 2.355 1.508 3.589 -0.000 -0.411 -0.000 3/17496 130.0 2.163 1.389 3.272 -0.000 -0.378 -0.000 3/17496 140.0 2.002 1.288 3.009 -0.000 -0.351 -0.000 3/17496 150.0 1.865 1.202 2.787 -0.000 -0.327 -0.000 3/17496 160.0 1.745 1.126 2.597 -0.000 -0.306 -0.000 3/17496 170.0 1.641 1.060 2.431 -0.000 -0.288 -0.000 3/17496 180.0 1.549 1.002 2.287 -0.000 -0.272 -0.000 3/17496 190.0 1.467 0.950 2.159 -0.000 -0.258 -0.000 3/17496 200.0 1.394 0.903 2.045 -0.000 -0.245 -0.000 3/17496 210.0 1.328 0.861 1.943 -0.000 -0.234 -0.000 3/17496 220.0 1.267 0.822 1.851 -0.000 -0.223 -0.000 3/17496 230.0 1.213 0.787 1.767 -0.000 -0.213 -0.000 3/17496 240.0 1.162 0.755 1.691 -0.000 -0.205 -0.000 3/17496 250.0 1.116 0.725 1.621 -0.000 -0.196 -0.000 3/17496 260.0 1.074 0.698 1.557 -0.000 -0.189 -0.000 3/17496 270.0 1.034 0.673 1.497 -0.000 -0.182 -0.000 3/17496 280.0 0.998 0.649 1.443 -0.000 -0.176 -0.000 3/17496 290.0 0.963 0.627 1.392 -0.000 -0.170 -0.000 3/17496 300.0 0.932 0.606 1.344 -0.000 -0.164 -0.000 3/17496 310.0 0.902 0.587 1.300 -0.000 -0.159 -0.000 3/17496 320.0 0.874 0.569 1.259 -0.000 -0.154 -0.000 3/17496 330.0 0.848 0.552 1.220 -0.000 -0.149 -0.000 3/17496 340.0 0.823 0.536 1.184 -0.000 -0.145 -0.000 3/17496 350.0 0.800 0.521 1.149 -0.000 -0.141 -0.000 3/17496 360.0 0.778 0.507 1.117 -0.000 -0.137 -0.000 3/17496 370.0 0.757 0.493 1.086 -0.000 -0.133 -0.000 3/17496 380.0 0.737 0.481 1.058 -0.000 -0.130 -0.000 3/17496 390.0 0.718 0.469 1.030 -0.000 -0.126 -0.000 3/17496 400.0 0.701 0.457 1.004 -0.000 -0.123 -0.000 3/17496 410.0 0.684 0.446 0.979 -0.000 -0.120 -0.000 3/17496 420.0 0.668 0.435 0.956 -0.000 -0.117 -0.000 3/17496 430.0 0.652 0.426 0.933 -0.000 -0.115 -0.000 3/17496 440.0 0.637 0.416 0.912 -0.000 -0.112 -0.000 3/17496 450.0 0.623 0.407 0.892 -0.000 -0.110 -0.000 3/17496 460.0 0.610 0.398 0.872 -0.000 -0.107 -0.000 3/17496 470.0 0.597 0.390 0.853 -0.000 -0.105 -0.000 3/17496 480.0 0.585 0.382 0.836 -0.000 -0.103 -0.000 3/17496 490.0 0.573 0.374 0.818 -0.000 -0.101 -0.000 3/17496 500.0 0.562 0.367 0.802 -0.000 -0.099 -0.000 3/17496 510.0 0.551 0.360 0.786 -0.000 -0.097 -0.000 3/17496 520.0 0.540 0.353 0.771 -0.000 -0.095 -0.000 3/17496 530.0 0.530 0.346 0.756 -0.000 -0.093 -0.000 3/17496 540.0 0.520 0.340 0.742 -0.000 -0.091 -0.000 3/17496 550.0 0.511 0.334 0.729 -0.000 -0.090 -0.000 3/17496 560.0 0.502 0.328 0.716 -0.000 -0.088 -0.000 3/17496 570.0 0.493 0.322 0.703 -0.000 -0.087 -0.000 3/17496 580.0 0.485 0.317 0.691 -0.000 -0.085 -0.000 3/17496 590.0 0.476 0.311 0.679 -0.000 -0.084 -0.000 3/17496 600.0 0.469 0.306 0.668 -0.000 -0.082 -0.000 3/17496 610.0 0.461 0.301 0.657 -0.000 -0.081 -0.000 3/17496 620.0 0.454 0.296 0.646 -0.000 -0.080 -0.000 3/17496 630.0 0.446 0.292 0.636 -0.000 -0.078 -0.000 3/17496 640.0 0.439 0.287 0.626 -0.000 -0.077 -0.000 3/17496 650.0 0.433 0.283 0.616 -0.000 -0.076 -0.000 3/17496 660.0 0.426 0.279 0.607 -0.000 -0.075 -0.000 3/17496 670.0 0.420 0.274 0.598 -0.000 -0.074 -0.000 3/17496 680.0 0.414 0.270 0.589 -0.000 -0.073 -0.000 3/17496 690.0 0.408 0.266 0.580 -0.000 -0.072 -0.000 3/17496 700.0 0.402 0.263 0.572 -0.000 -0.071 -0.000 3/17496 710.0 0.396 0.259 0.564 -0.000 -0.070 -0.000 3/17496 720.0 0.391 0.255 0.556 -0.000 -0.069 -0.000 3/17496 730.0 0.386 0.252 0.549 -0.000 -0.068 -0.000 3/17496 740.0 0.380 0.249 0.541 -0.000 -0.067 -0.000 3/17496 750.0 0.375 0.245 0.534 -0.000 -0.066 -0.000 3/17496 760.0 0.370 0.242 0.527 -0.000 -0.065 -0.000 3/17496 770.0 0.366 0.239 0.520 -0.000 -0.064 -0.000 3/17496 780.0 0.361 0.236 0.513 -0.000 -0.063 -0.000 3/17496 790.0 0.356 0.233 0.507 -0.000 -0.063 -0.000 3/17496 800.0 0.352 0.230 0.501 -0.000 -0.062 -0.000 3/17496 810.0 0.348 0.227 0.494 -0.000 -0.061 -0.000 3/17496 820.0 0.343 0.225 0.488 -0.000 -0.060 -0.000 3/17496 830.0 0.339 0.222 0.482 -0.000 -0.060 -0.000 3/17496 840.0 0.335 0.219 0.477 -0.000 -0.059 -0.000 3/17496 850.0 0.331 0.217 0.471 -0.000 -0.058 -0.000 3/17496 860.0 0.328 0.214 0.466 -0.000 -0.058 -0.000 3/17496 870.0 0.324 0.212 0.460 -0.000 -0.057 -0.000 3/17496 880.0 0.320 0.209 0.455 -0.000 -0.056 -0.000 3/17496 890.0 0.317 0.207 0.450 -0.000 -0.056 -0.000 3/17496 900.0 0.313 0.205 0.445 -0.000 -0.055 -0.000 3/17496 910.0 0.310 0.202 0.440 -0.000 -0.054 -0.000 3/17496 920.0 0.306 0.200 0.435 -0.000 -0.054 -0.000 3/17496 930.0 0.303 0.198 0.431 -0.000 -0.053 -0.000 3/17496 940.0 0.300 0.196 0.426 -0.000 -0.053 -0.000 3/17496 950.0 0.297 0.194 0.421 -0.000 -0.052 -0.000 3/17496 960.0 0.294 0.192 0.417 -0.000 -0.052 -0.000 3/17496 970.0 0.291 0.190 0.413 -0.000 -0.051 -0.000 3/17496 980.0 0.288 0.188 0.409 -0.000 -0.051 -0.000 3/17496 990.0 0.285 0.186 0.404 -0.000 -0.050 -0.000 3/17496 1000.0 0.282 0.184 0.400 -0.000 -0.050 -0.000 3/17496 Thermal conductivity related properties were written into "kappa-m999.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:58:35]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|