----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 07:42:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.662492844282815 0.000000000000000 0.000000000000000 b 0.000000000000000 6.748343200000000 0.000000000000000 c -2.545753763387178 0.000000000000000 6.695632374719834 Atomic positions (fractional): *1 Pd 0.50000000000000 0.00000000000000 0.00000000000000 106.420 2 Pd 0.50000000000000 0.50000000000000 0.00000000000000 106.420 *3 Pd 0.01947886755776 0.25000000000000 0.01299059010493 106.420 4 Pd 0.98052113244224 0.75000000000000 0.98700940989507 106.420 *5 Ba 0.22073488019927 0.75000000000000 0.50936608834289 137.327 6 Ba 0.77926511980073 0.25000000000000 0.49063391165711 137.327 *7 S 0.12968541664200 0.50378943896124 0.85351212149012 32.065 8 S 0.87031458335800 0.00378943896124 0.14648787850989 32.065 9 S 0.87031458335800 0.49621056103876 0.14648787850989 32.065 10 S 0.12968541664200 0.99621056103876 0.85351212149012 32.065 *11 S 0.47340983709758 0.75000000000000 0.21254565886783 32.065 12 S 0.52659016290242 0.25000000000000 0.78745434113217 32.065 *13 S 0.28711381037522 0.25000000000000 0.50440314252149 32.065 14 S 0.71288618962478 0.75000000000000 0.49559685747851 32.065 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.662492844282815 0.000000000000000 0.000000000000000 b 0.000000000000000 6.748343200000000 0.000000000000000 c -2.545753763387178 0.000000000000000 6.695632374719834 Atomic positions (fractional): *1 Pd 0.50000000000000 0.00000000000000 0.00000000000000 106.420 > 1 2 Pd 0.50000000000000 0.50000000000000 0.00000000000000 106.420 > 2 *3 Pd 0.01947886755776 0.25000000000000 0.01299059010493 106.420 > 3 4 Pd 0.98052113244224 0.75000000000000 0.98700940989507 106.420 > 4 *5 Ba 0.22073488019927 0.75000000000000 0.50936608834289 137.327 > 5 6 Ba 0.77926511980073 0.25000000000000 0.49063391165711 137.327 > 6 *7 S 0.12968541664200 0.50378943896124 0.85351212149012 32.065 > 7 8 S 0.87031458335800 0.00378943896124 0.14648787850989 32.065 > 8 9 S 0.87031458335800 0.49621056103876 0.14648787850989 32.065 > 9 10 S 0.12968541664200 0.99621056103876 0.85351212149012 32.065 > 10 *11 S 0.47340983709758 0.75000000000000 0.21254565886783 32.065 > 11 12 S 0.52659016290242 0.25000000000000 0.78745434113217 32.065 > 12 *13 S 0.28711381037522 0.25000000000000 0.50440314252149 32.065 > 13 14 S 0.71288618962478 0.75000000000000 0.49559685747851 32.065 > 14 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.324985688565629 0.000000000000000 0.000000000000000 b 0.000000000000000 13.496686400000000 0.000000000000000 c -5.091507526774356 0.000000000000000 13.391264749439667 Atomic positions (fractional): *1 Pd 0.25000000000000 0.00000000000000 0.00000000000000 106.420 > 1 2 Pd 0.75000000000000 0.00000000000000 0.00000000000000 106.420 > 1 3 Pd 0.25000000000000 0.50000000000000 0.00000000000000 106.420 > 1 4 Pd 0.75000000000000 0.50000000000000 0.00000000000000 106.420 > 1 5 Pd 0.25000000000000 0.00000000000000 0.50000000000000 106.420 > 1 6 Pd 0.75000000000000 0.00000000000000 0.50000000000000 106.420 > 1 7 Pd 0.25000000000000 0.50000000000000 0.50000000000000 106.420 > 1 8 Pd 0.75000000000000 0.50000000000000 0.50000000000000 106.420 > 1 9 Pd 0.25000000000000 0.25000000000000 0.00000000000000 106.420 > 2 10 Pd 0.75000000000000 0.25000000000000 0.00000000000000 106.420 > 2 11 Pd 0.25000000000000 0.75000000000000 0.00000000000000 106.420 > 2 12 Pd 0.75000000000000 0.75000000000000 0.00000000000000 106.420 > 2 13 Pd 0.25000000000000 0.25000000000000 0.50000000000000 106.420 > 2 14 Pd 0.75000000000000 0.25000000000000 0.50000000000000 106.420 > 2 15 Pd 0.25000000000000 0.75000000000000 0.50000000000000 106.420 > 2 16 Pd 0.75000000000000 0.75000000000000 0.50000000000000 106.420 > 2 *17 Pd 0.00973943377888 0.12500000000000 0.00649529505247 106.420 > 3 18 Pd 0.50973943377888 0.12500000000000 0.00649529505247 106.420 > 3 19 Pd 0.00973943377888 0.62500000000000 0.00649529505247 106.420 > 3 20 Pd 0.50973943377888 0.62500000000000 0.00649529505247 106.420 > 3 21 Pd 0.00973943377888 0.12500000000000 0.50649529505247 106.420 > 3 22 Pd 0.50973943377888 0.12500000000000 0.50649529505247 106.420 > 3 23 Pd 0.00973943377888 0.62500000000000 0.50649529505247 106.420 > 3 24 Pd 0.50973943377888 0.62500000000000 0.50649529505247 106.420 > 3 25 Pd 0.49026056622112 0.37500000000000 0.49350470494753 106.420 > 4 26 Pd 0.99026056622112 0.37500000000000 0.49350470494753 106.420 > 4 27 Pd 0.49026056622112 0.87500000000000 0.49350470494753 106.420 > 4 28 Pd 0.99026056622112 0.87500000000000 0.49350470494753 106.420 > 4 29 Pd 0.49026056622112 0.37500000000000 0.99350470494753 106.420 > 4 30 Pd 0.99026056622112 0.37500000000000 0.99350470494753 106.420 > 4 31 Pd 0.49026056622112 0.87500000000000 0.99350470494753 106.420 > 4 32 Pd 0.99026056622112 0.87500000000000 0.99350470494753 106.420 > 4 *33 Ba 0.11036744009964 0.37500000000000 0.25468304417144 137.327 > 5 34 Ba 0.61036744009964 0.37500000000000 0.25468304417144 137.327 > 5 35 Ba 0.11036744009964 0.87500000000000 0.25468304417144 137.327 > 5 36 Ba 0.61036744009964 0.87500000000000 0.25468304417144 137.327 > 5 37 Ba 0.11036744009964 0.37500000000000 0.75468304417144 137.327 > 5 38 Ba 0.61036744009964 0.37500000000000 0.75468304417144 137.327 > 5 39 Ba 0.11036744009964 0.87500000000000 0.75468304417144 137.327 > 5 40 Ba 0.61036744009964 0.87500000000000 0.75468304417144 137.327 > 5 41 Ba 0.38963255990036 0.12500000000000 0.24531695582856 137.327 > 6 42 Ba 0.88963255990036 0.12500000000000 0.24531695582856 137.327 > 6 43 Ba 0.38963255990036 0.62500000000000 0.24531695582856 137.327 > 6 44 Ba 0.88963255990036 0.62500000000000 0.24531695582856 137.327 > 6 45 Ba 0.38963255990036 0.12500000000000 0.74531695582856 137.327 > 6 46 Ba 0.88963255990036 0.12500000000000 0.74531695582856 137.327 > 6 47 Ba 0.38963255990036 0.62500000000000 0.74531695582856 137.327 > 6 48 Ba 0.88963255990036 0.62500000000000 0.74531695582856 137.327 > 6 *49 S 0.06484270832100 0.25189471948062 0.42675606074506 32.065 > 7 50 S 0.56484270832100 0.25189471948062 0.42675606074506 32.065 > 7 51 S 0.06484270832100 0.75189471948062 0.42675606074506 32.065 > 7 52 S 0.56484270832100 0.75189471948062 0.42675606074506 32.065 > 7 53 S 0.06484270832100 0.25189471948062 0.92675606074506 32.065 > 7 54 S 0.56484270832100 0.25189471948062 0.92675606074506 32.065 > 7 55 S 0.06484270832100 0.75189471948062 0.92675606074506 32.065 > 7 56 S 0.56484270832100 0.75189471948062 0.92675606074506 32.065 > 7 57 S 0.43515729167900 0.00189471948062 0.07324393925494 32.065 > 8 58 S 0.93515729167900 0.00189471948062 0.07324393925494 32.065 > 8 59 S 0.43515729167900 0.50189471948062 0.07324393925494 32.065 > 8 60 S 0.93515729167900 0.50189471948062 0.07324393925494 32.065 > 8 61 S 0.43515729167900 0.00189471948062 0.57324393925494 32.065 > 8 62 S 0.93515729167900 0.00189471948062 0.57324393925494 32.065 > 8 63 S 0.43515729167900 0.50189471948062 0.57324393925494 32.065 > 8 64 S 0.93515729167900 0.50189471948062 0.57324393925494 32.065 > 8 65 S 0.43515729167900 0.24810528051938 0.07324393925494 32.065 > 9 66 S 0.93515729167900 0.24810528051938 0.07324393925494 32.065 > 9 67 S 0.43515729167900 0.74810528051938 0.07324393925494 32.065 > 9 68 S 0.93515729167900 0.74810528051938 0.07324393925494 32.065 > 9 69 S 0.43515729167900 0.24810528051938 0.57324393925494 32.065 > 9 70 S 0.93515729167900 0.24810528051938 0.57324393925494 32.065 > 9 71 S 0.43515729167900 0.74810528051938 0.57324393925494 32.065 > 9 72 S 0.93515729167900 0.74810528051938 0.57324393925494 32.065 > 9 73 S 0.06484270832100 0.49810528051938 0.42675606074506 32.065 > 10 74 S 0.56484270832100 0.49810528051938 0.42675606074506 32.065 > 10 75 S 0.06484270832100 0.99810528051938 0.42675606074506 32.065 > 10 76 S 0.56484270832100 0.99810528051938 0.42675606074506 32.065 > 10 77 S 0.06484270832100 0.49810528051938 0.92675606074506 32.065 > 10 78 S 0.56484270832100 0.49810528051938 0.92675606074506 32.065 > 10 79 S 0.06484270832100 0.99810528051938 0.92675606074506 32.065 > 10 80 S 0.56484270832100 0.99810528051938 0.92675606074506 32.065 > 10 *81 S 0.23670491854879 0.37500000000000 0.10627282943392 32.065 > 11 82 S 0.73670491854879 0.37500000000000 0.10627282943392 32.065 > 11 83 S 0.23670491854879 0.87500000000000 0.10627282943392 32.065 > 11 84 S 0.73670491854879 0.87500000000000 0.10627282943392 32.065 > 11 85 S 0.23670491854879 0.37500000000000 0.60627282943392 32.065 > 11 86 S 0.73670491854879 0.37500000000000 0.60627282943392 32.065 > 11 87 S 0.23670491854879 0.87500000000000 0.60627282943392 32.065 > 11 88 S 0.73670491854879 0.87500000000000 0.60627282943392 32.065 > 11 89 S 0.26329508145121 0.12500000000000 0.39372717056608 32.065 > 12 90 S 0.76329508145121 0.12500000000000 0.39372717056608 32.065 > 12 91 S 0.26329508145121 0.62500000000000 0.39372717056608 32.065 > 12 92 S 0.76329508145121 0.62500000000000 0.39372717056608 32.065 > 12 93 S 0.26329508145121 0.12500000000000 0.89372717056608 32.065 > 12 94 S 0.76329508145121 0.12500000000000 0.89372717056608 32.065 > 12 95 S 0.26329508145121 0.62500000000000 0.89372717056608 32.065 > 12 96 S 0.76329508145121 0.62500000000000 0.89372717056608 32.065 > 12 *97 S 0.14355690518761 0.12500000000000 0.25220157126075 32.065 > 13 98 S 0.64355690518761 0.12500000000000 0.25220157126075 32.065 > 13 99 S 0.14355690518761 0.62500000000000 0.25220157126075 32.065 > 13 100 S 0.64355690518761 0.62500000000000 0.25220157126075 32.065 > 13 101 S 0.14355690518761 0.12500000000000 0.75220157126075 32.065 > 13 102 S 0.64355690518761 0.12500000000000 0.75220157126075 32.065 > 13 103 S 0.14355690518761 0.62500000000000 0.75220157126075 32.065 > 13 104 S 0.64355690518761 0.62500000000000 0.75220157126075 32.065 > 13 105 S 0.35644309481239 0.37500000000000 0.24779842873925 32.065 > 14 106 S 0.85644309481239 0.37500000000000 0.24779842873925 32.065 > 14 107 S 0.35644309481239 0.87500000000000 0.24779842873925 32.065 > 14 108 S 0.85644309481239 0.87500000000000 0.24779842873925 32.065 > 14 109 S 0.35644309481239 0.37500000000000 0.74779842873925 32.065 > 14 110 S 0.85644309481239 0.37500000000000 0.74779842873925 32.065 > 14 111 S 0.35644309481239 0.87500000000000 0.74779842873925 32.065 > 14 112 S 0.85644309481239 0.87500000000000 0.74779842873925 32.065 > 14 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 11.4432711 0.0000000 0.3719794 0.0000000 11.4467066 0.0000000 0.3719805 0.0000000 9.1644126 -------------------------- Born effective charges -------------------------- 1 Pd -0.1868458 -0.0294979 -0.3560511 0.1219377 -0.7428210 -0.2144200 0.1612555 -0.5961237 -0.8666605 2 Pd -0.1868458 0.0294979 -0.3560511 -0.1219377 -0.7428210 0.2144200 0.1612555 0.5961237 -0.8666605 3 Pd -0.2355962 0.0000000 -0.4831919 0.0000000 1.8821013 0.0000000 -0.7355158 0.0000000 -0.3859031 4 Pd -0.2355962 0.0000000 -0.4831919 0.0000000 1.8821013 0.0000000 -0.7355158 0.0000000 -0.3859031 5 Ba 2.8431519 0.0000000 -0.2191126 0.0000000 2.7541872 0.0000000 -0.2344609 0.0000000 3.6094721 6 Ba 2.8431519 0.0000000 -0.2191126 0.0000000 2.7541872 0.0000000 -0.2344609 0.0000000 3.6094721 7 S -0.7909895 -0.3639019 0.0117103 -0.4064188 -0.9945160 0.4825707 -0.1090396 0.1917481 -0.6444076 8 S -0.7909895 0.3639019 0.0117103 0.4064188 -0.9945160 -0.4825707 -0.1090396 -0.1917481 -0.6444076 9 S -0.7909895 -0.3639019 0.0117103 -0.4064188 -0.9945160 0.4825707 -0.1090396 0.1917481 -0.6444076 10 S -0.7909895 0.3639019 0.0117103 0.4064188 -0.9945160 -0.4825707 -0.1090396 -0.1917481 -0.6444076 11 S 1.1715112 0.0000000 1.2105468 0.0000000 -0.3461765 0.0000000 1.4651076 0.0000000 0.4324383 12 S 1.1715112 0.0000000 1.2105468 0.0000000 -0.3461765 0.0000000 1.4651076 0.0000000 0.4324383 13 S -2.0102421 0.0000000 -0.1756119 0.0000000 -1.5582589 0.0000000 -0.4383072 0.0000000 -1.5005317 14 S -2.0102421 0.0000000 -0.1756119 0.0000000 -1.5582589 0.0000000 -0.4383072 0.0000000 -1.5005317 ---------------------------------------------------------------------------- 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: 336/336 Permutation basis: 7476/7476 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1940 Number of blocks in projector: 1940 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: 460 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 332 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 332 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 272 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 272 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 272 Use standard eigh solver. Tree of FC basis block matrices: - (1940, 1903), data: False |-- (272, 266), data: True |-- (272, 266), data: True |-- (272, 266), data: True |-- (332, 328), data: True |-- (332, 328), data: True |-- (460, 449), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 480 - Time: 3.099 Solver_block: 200 / 480 - Time: 3.105 Solver_block: 300 / 480 - Time: 3.103 Solver_block: 400 / 480 - Time: 3.096 Solver_block: 480 / 480 - Time: 2.506 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 14.961 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 336/336 Permutation basis: 7476/7476 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1940 Number of blocks in projector: 1940 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: 460 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 332 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 332 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 272 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 272 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 272 Use standard eigh solver. Tree of FC basis block matrices: - (1940, 1903), data: False |-- (272, 266), data: True |-- (272, 266), data: True |-- (272, 266), data: True |-- (332, 328), data: True |-- (332, 328), data: True |-- (460, 449), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 07:43:24]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 07:43:25]------------------------- 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: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.662492844282815 0.000000000000000 0.000000000000000 b 0.000000000000000 6.748343200000000 0.000000000000000 c -2.545753763387178 0.000000000000000 6.695632374719834 Atomic positions (fractional): 1 Pd 0.50000000000000 0.00000000000000 0.00000000000000 106.420 2 Pd 0.50000000000000 0.50000000000000 0.00000000000000 106.420 3 Pd 0.01947886755776 0.25000000000000 0.01299059010493 106.420 4 Pd 0.98052113244224 0.75000000000000 0.98700940989507 106.420 5 Ba 0.22073488019927 0.75000000000000 0.50936608834289 137.327 6 Ba 0.77926511980073 0.25000000000000 0.49063391165711 137.327 7 S 0.12968541664200 0.50378943896124 0.85351212149012 32.065 8 S 0.87031458335800 0.00378943896124 0.14648787850989 32.065 9 S 0.87031458335800 0.49621056103876 0.14648787850989 32.065 10 S 0.12968541664200 0.99621056103876 0.85351212149012 32.065 11 S 0.47340983709758 0.75000000000000 0.21254565886783 32.065 12 S 0.52659016290242 0.25000000000000 0.78745434113217 32.065 13 S 0.28711381037522 0.25000000000000 0.50440314252149 32.065 14 S 0.71288618962478 0.75000000000000 0.49559685747851 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.324985688565629 0.000000000000000 0.000000000000000 b 0.000000000000000 13.496686400000000 0.000000000000000 c -5.091507526774356 0.000000000000000 13.391264749439667 Atomic positions (fractional): 1 Pd 0.25000000000000 0.00000000000000 0.00000000000000 106.420 > 1 2 Pd 0.75000000000000 0.00000000000000 0.00000000000000 106.420 > 1 3 Pd 0.25000000000000 0.50000000000000 0.00000000000000 106.420 > 1 4 Pd 0.75000000000000 0.50000000000000 0.00000000000000 106.420 > 1 5 Pd 0.25000000000000 0.00000000000000 0.50000000000000 106.420 > 1 6 Pd 0.75000000000000 0.00000000000000 0.50000000000000 106.420 > 1 7 Pd 0.25000000000000 0.50000000000000 0.50000000000000 106.420 > 1 8 Pd 0.75000000000000 0.50000000000000 0.50000000000000 106.420 > 1 9 Pd 0.25000000000000 0.25000000000000 0.00000000000000 106.420 > 9 10 Pd 0.75000000000000 0.25000000000000 0.00000000000000 106.420 > 9 11 Pd 0.25000000000000 0.75000000000000 0.00000000000000 106.420 > 9 12 Pd 0.75000000000000 0.75000000000000 0.00000000000000 106.420 > 9 13 Pd 0.25000000000000 0.25000000000000 0.50000000000000 106.420 > 9 14 Pd 0.75000000000000 0.25000000000000 0.50000000000000 106.420 > 9 15 Pd 0.25000000000000 0.75000000000000 0.50000000000000 106.420 > 9 16 Pd 0.75000000000000 0.75000000000000 0.50000000000000 106.420 > 9 17 Pd 0.00973943377888 0.12500000000000 0.00649529505247 106.420 > 17 18 Pd 0.50973943377888 0.12500000000000 0.00649529505247 106.420 > 17 19 Pd 0.00973943377888 0.62500000000000 0.00649529505247 106.420 > 17 20 Pd 0.50973943377888 0.62500000000000 0.00649529505247 106.420 > 17 21 Pd 0.00973943377888 0.12500000000000 0.50649529505247 106.420 > 17 22 Pd 0.50973943377888 0.12500000000000 0.50649529505247 106.420 > 17 23 Pd 0.00973943377888 0.62500000000000 0.50649529505247 106.420 > 17 24 Pd 0.50973943377888 0.62500000000000 0.50649529505247 106.420 > 17 25 Pd 0.49026056622112 0.37500000000000 0.49350470494753 106.420 > 25 26 Pd 0.99026056622112 0.37500000000000 0.49350470494753 106.420 > 25 27 Pd 0.49026056622112 0.87500000000000 0.49350470494753 106.420 > 25 28 Pd 0.99026056622112 0.87500000000000 0.49350470494753 106.420 > 25 29 Pd 0.49026056622112 0.37500000000000 0.99350470494753 106.420 > 25 30 Pd 0.99026056622112 0.37500000000000 0.99350470494753 106.420 > 25 31 Pd 0.49026056622112 0.87500000000000 0.99350470494753 106.420 > 25 32 Pd 0.99026056622112 0.87500000000000 0.99350470494753 106.420 > 25 33 Ba 0.11036744009964 0.37500000000000 0.25468304417144 137.327 > 33 34 Ba 0.61036744009964 0.37500000000000 0.25468304417144 137.327 > 33 35 Ba 0.11036744009964 0.87500000000000 0.25468304417144 137.327 > 33 36 Ba 0.61036744009964 0.87500000000000 0.25468304417144 137.327 > 33 37 Ba 0.11036744009964 0.37500000000000 0.75468304417144 137.327 > 33 38 Ba 0.61036744009964 0.37500000000000 0.75468304417144 137.327 > 33 39 Ba 0.11036744009964 0.87500000000000 0.75468304417144 137.327 > 33 40 Ba 0.61036744009964 0.87500000000000 0.75468304417144 137.327 > 33 41 Ba 0.38963255990036 0.12500000000000 0.24531695582856 137.327 > 41 42 Ba 0.88963255990036 0.12500000000000 0.24531695582856 137.327 > 41 43 Ba 0.38963255990036 0.62500000000000 0.24531695582856 137.327 > 41 44 Ba 0.88963255990036 0.62500000000000 0.24531695582856 137.327 > 41 45 Ba 0.38963255990036 0.12500000000000 0.74531695582856 137.327 > 41 46 Ba 0.88963255990036 0.12500000000000 0.74531695582856 137.327 > 41 47 Ba 0.38963255990036 0.62500000000000 0.74531695582856 137.327 > 41 48 Ba 0.88963255990036 0.62500000000000 0.74531695582856 137.327 > 41 49 S 0.06484270832100 0.25189471948062 0.42675606074506 32.065 > 49 50 S 0.56484270832100 0.25189471948062 0.42675606074506 32.065 > 49 51 S 0.06484270832100 0.75189471948062 0.42675606074506 32.065 > 49 52 S 0.56484270832100 0.75189471948062 0.42675606074506 32.065 > 49 53 S 0.06484270832100 0.25189471948062 0.92675606074506 32.065 > 49 54 S 0.56484270832100 0.25189471948062 0.92675606074506 32.065 > 49 55 S 0.06484270832100 0.75189471948062 0.92675606074506 32.065 > 49 56 S 0.56484270832100 0.75189471948062 0.92675606074506 32.065 > 49 57 S 0.43515729167900 0.00189471948062 0.07324393925494 32.065 > 57 58 S 0.93515729167900 0.00189471948062 0.07324393925494 32.065 > 57 59 S 0.43515729167900 0.50189471948062 0.07324393925494 32.065 > 57 60 S 0.93515729167900 0.50189471948062 0.07324393925494 32.065 > 57 61 S 0.43515729167900 0.00189471948062 0.57324393925494 32.065 > 57 62 S 0.93515729167900 0.00189471948062 0.57324393925494 32.065 > 57 63 S 0.43515729167900 0.50189471948062 0.57324393925494 32.065 > 57 64 S 0.93515729167900 0.50189471948062 0.57324393925494 32.065 > 57 65 S 0.43515729167900 0.24810528051938 0.07324393925494 32.065 > 65 66 S 0.93515729167900 0.24810528051938 0.07324393925494 32.065 > 65 67 S 0.43515729167900 0.74810528051938 0.07324393925494 32.065 > 65 68 S 0.93515729167900 0.74810528051938 0.07324393925494 32.065 > 65 69 S 0.43515729167900 0.24810528051938 0.57324393925494 32.065 > 65 70 S 0.93515729167900 0.24810528051938 0.57324393925494 32.065 > 65 71 S 0.43515729167900 0.74810528051938 0.57324393925494 32.065 > 65 72 S 0.93515729167900 0.74810528051938 0.57324393925494 32.065 > 65 73 S 0.06484270832100 0.49810528051938 0.42675606074506 32.065 > 73 74 S 0.56484270832100 0.49810528051938 0.42675606074506 32.065 > 73 75 S 0.06484270832100 0.99810528051938 0.42675606074506 32.065 > 73 76 S 0.56484270832100 0.99810528051938 0.42675606074506 32.065 > 73 77 S 0.06484270832100 0.49810528051938 0.92675606074506 32.065 > 73 78 S 0.56484270832100 0.49810528051938 0.92675606074506 32.065 > 73 79 S 0.06484270832100 0.99810528051938 0.92675606074506 32.065 > 73 80 S 0.56484270832100 0.99810528051938 0.92675606074506 32.065 > 73 81 S 0.23670491854879 0.37500000000000 0.10627282943392 32.065 > 81 82 S 0.73670491854879 0.37500000000000 0.10627282943392 32.065 > 81 83 S 0.23670491854879 0.87500000000000 0.10627282943392 32.065 > 81 84 S 0.73670491854879 0.87500000000000 0.10627282943392 32.065 > 81 85 S 0.23670491854879 0.37500000000000 0.60627282943392 32.065 > 81 86 S 0.73670491854879 0.37500000000000 0.60627282943392 32.065 > 81 87 S 0.23670491854879 0.87500000000000 0.60627282943392 32.065 > 81 88 S 0.73670491854879 0.87500000000000 0.60627282943392 32.065 > 81 89 S 0.26329508145121 0.12500000000000 0.39372717056608 32.065 > 89 90 S 0.76329508145121 0.12500000000000 0.39372717056608 32.065 > 89 91 S 0.26329508145121 0.62500000000000 0.39372717056608 32.065 > 89 92 S 0.76329508145121 0.62500000000000 0.39372717056608 32.065 > 89 93 S 0.26329508145121 0.12500000000000 0.89372717056608 32.065 > 89 94 S 0.76329508145121 0.12500000000000 0.89372717056608 32.065 > 89 95 S 0.26329508145121 0.62500000000000 0.89372717056608 32.065 > 89 96 S 0.76329508145121 0.62500000000000 0.89372717056608 32.065 > 89 97 S 0.14355690518761 0.12500000000000 0.25220157126075 32.065 > 97 98 S 0.64355690518761 0.12500000000000 0.25220157126075 32.065 > 97 99 S 0.14355690518761 0.62500000000000 0.25220157126075 32.065 > 97 100 S 0.64355690518761 0.62500000000000 0.25220157126075 32.065 > 97 101 S 0.14355690518761 0.12500000000000 0.75220157126075 32.065 > 97 102 S 0.64355690518761 0.12500000000000 0.75220157126075 32.065 > 97 103 S 0.14355690518761 0.62500000000000 0.75220157126075 32.065 > 97 104 S 0.64355690518761 0.62500000000000 0.75220157126075 32.065 > 97 105 S 0.35644309481239 0.37500000000000 0.24779842873925 32.065 > 105 106 S 0.85644309481239 0.37500000000000 0.24779842873925 32.065 > 105 107 S 0.35644309481239 0.87500000000000 0.24779842873925 32.065 > 105 108 S 0.85644309481239 0.87500000000000 0.24779842873925 32.065 > 105 109 S 0.35644309481239 0.37500000000000 0.74779842873925 32.065 > 105 110 S 0.85644309481239 0.37500000000000 0.74779842873925 32.065 > 105 111 S 0.35644309481239 0.87500000000000 0.74779842873925 32.065 > 105 112 S 0.85644309481239 0.87500000000000 0.74779842873925 32.065 > 105 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 11.4432711 0.0000000 0.3719794 0.0000000 11.4467066 0.0000000 0.3719805 0.0000000 9.1644126 -------------------------- Born effective charges -------------------------- 1 Pd -0.1868458 -0.0294979 -0.3560511 0.1219377 -0.7428210 -0.2144200 0.1612555 -0.5961237 -0.8666605 2 Pd -0.1868458 0.0294979 -0.3560511 -0.1219377 -0.7428210 0.2144200 0.1612555 0.5961237 -0.8666605 3 Pd -0.2355962 0.0000000 -0.4831919 0.0000000 1.8821013 0.0000000 -0.7355158 0.0000000 -0.3859031 4 Pd -0.2355962 0.0000000 -0.4831919 0.0000000 1.8821013 0.0000000 -0.7355158 0.0000000 -0.3859031 5 Ba 2.8431519 0.0000000 -0.2191126 0.0000000 2.7541872 0.0000000 -0.2344609 0.0000000 3.6094721 6 Ba 2.8431519 0.0000000 -0.2191126 0.0000000 2.7541872 0.0000000 -0.2344609 0.0000000 3.6094721 7 S -0.7909895 -0.3639019 0.0117103 -0.4064188 -0.9945160 0.4825707 -0.1090396 0.1917481 -0.6444076 8 S -0.7909895 0.3639019 0.0117103 0.4064188 -0.9945160 -0.4825707 -0.1090396 -0.1917481 -0.6444076 9 S -0.7909895 -0.3639019 0.0117103 -0.4064188 -0.9945160 0.4825707 -0.1090396 0.1917481 -0.6444076 10 S -0.7909895 0.3639019 0.0117103 0.4064188 -0.9945160 -0.4825707 -0.1090396 -0.1917481 -0.6444076 11 S 1.1715112 0.0000000 1.2105468 0.0000000 -0.3461765 0.0000000 1.4651076 0.0000000 0.4324383 12 S 1.1715112 0.0000000 1.2105468 0.0000000 -0.3461765 0.0000000 1.4651076 0.0000000 0.4324383 13 S -2.0102421 0.0000000 -0.1756119 0.0000000 -1.5582589 0.0000000 -0.4383072 0.0000000 -1.5005317 14 S -2.0102421 0.0000000 -0.1756119 0.0000000 -1.5582589 0.0000000 -0.4383072 0.0000000 -1.5005317 ---------------------------------------------------------------------------- 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] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] Computing fc3[ 17, 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] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] Computing fc3[ 81, 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] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] 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] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000014 (yxy) 0.00000014 (yxy) 0.00000014 (yyx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000013 (zx) -0.00000013 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 07:43:45]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 07:43:46]------------------------- 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: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.662492844282815 0.000000000000000 0.000000000000000 b 0.000000000000000 6.748343200000000 0.000000000000000 c -2.545753763387178 0.000000000000000 6.695632374719834 Atomic positions (fractional): 1 Pd 0.50000000000000 0.00000000000000 0.00000000000000 106.420 2 Pd 0.50000000000000 0.50000000000000 0.00000000000000 106.420 3 Pd 0.01947886755776 0.25000000000000 0.01299059010493 106.420 4 Pd 0.98052113244224 0.75000000000000 0.98700940989507 106.420 5 Ba 0.22073488019927 0.75000000000000 0.50936608834289 137.327 6 Ba 0.77926511980073 0.25000000000000 0.49063391165711 137.327 7 S 0.12968541664200 0.50378943896124 0.85351212149012 32.065 8 S 0.87031458335800 0.00378943896124 0.14648787850989 32.065 9 S 0.87031458335800 0.49621056103876 0.14648787850989 32.065 10 S 0.12968541664200 0.99621056103876 0.85351212149012 32.065 11 S 0.47340983709758 0.75000000000000 0.21254565886783 32.065 12 S 0.52659016290242 0.25000000000000 0.78745434113217 32.065 13 S 0.28711381037522 0.25000000000000 0.50440314252149 32.065 14 S 0.71288618962478 0.75000000000000 0.49559685747851 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.324985688565629 0.000000000000000 0.000000000000000 b 0.000000000000000 13.496686400000000 0.000000000000000 c -5.091507526774356 0.000000000000000 13.391264749439667 Atomic positions (fractional): 1 Pd 0.25000000000000 0.00000000000000 0.00000000000000 106.420 > 1 2 Pd 0.75000000000000 0.00000000000000 0.00000000000000 106.420 > 1 3 Pd 0.25000000000000 0.50000000000000 0.00000000000000 106.420 > 1 4 Pd 0.75000000000000 0.50000000000000 0.00000000000000 106.420 > 1 5 Pd 0.25000000000000 0.00000000000000 0.50000000000000 106.420 > 1 6 Pd 0.75000000000000 0.00000000000000 0.50000000000000 106.420 > 1 7 Pd 0.25000000000000 0.50000000000000 0.50000000000000 106.420 > 1 8 Pd 0.75000000000000 0.50000000000000 0.50000000000000 106.420 > 1 9 Pd 0.25000000000000 0.25000000000000 0.00000000000000 106.420 > 9 10 Pd 0.75000000000000 0.25000000000000 0.00000000000000 106.420 > 9 11 Pd 0.25000000000000 0.75000000000000 0.00000000000000 106.420 > 9 12 Pd 0.75000000000000 0.75000000000000 0.00000000000000 106.420 > 9 13 Pd 0.25000000000000 0.25000000000000 0.50000000000000 106.420 > 9 14 Pd 0.75000000000000 0.25000000000000 0.50000000000000 106.420 > 9 15 Pd 0.25000000000000 0.75000000000000 0.50000000000000 106.420 > 9 16 Pd 0.75000000000000 0.75000000000000 0.50000000000000 106.420 > 9 17 Pd 0.00973943377888 0.12500000000000 0.00649529505247 106.420 > 17 18 Pd 0.50973943377888 0.12500000000000 0.00649529505247 106.420 > 17 19 Pd 0.00973943377888 0.62500000000000 0.00649529505247 106.420 > 17 20 Pd 0.50973943377888 0.62500000000000 0.00649529505247 106.420 > 17 21 Pd 0.00973943377888 0.12500000000000 0.50649529505247 106.420 > 17 22 Pd 0.50973943377888 0.12500000000000 0.50649529505247 106.420 > 17 23 Pd 0.00973943377888 0.62500000000000 0.50649529505247 106.420 > 17 24 Pd 0.50973943377888 0.62500000000000 0.50649529505247 106.420 > 17 25 Pd 0.49026056622112 0.37500000000000 0.49350470494753 106.420 > 25 26 Pd 0.99026056622112 0.37500000000000 0.49350470494753 106.420 > 25 27 Pd 0.49026056622112 0.87500000000000 0.49350470494753 106.420 > 25 28 Pd 0.99026056622112 0.87500000000000 0.49350470494753 106.420 > 25 29 Pd 0.49026056622112 0.37500000000000 0.99350470494753 106.420 > 25 30 Pd 0.99026056622112 0.37500000000000 0.99350470494753 106.420 > 25 31 Pd 0.49026056622112 0.87500000000000 0.99350470494753 106.420 > 25 32 Pd 0.99026056622112 0.87500000000000 0.99350470494753 106.420 > 25 33 Ba 0.11036744009964 0.37500000000000 0.25468304417144 137.327 > 33 34 Ba 0.61036744009964 0.37500000000000 0.25468304417144 137.327 > 33 35 Ba 0.11036744009964 0.87500000000000 0.25468304417144 137.327 > 33 36 Ba 0.61036744009964 0.87500000000000 0.25468304417144 137.327 > 33 37 Ba 0.11036744009964 0.37500000000000 0.75468304417144 137.327 > 33 38 Ba 0.61036744009964 0.37500000000000 0.75468304417144 137.327 > 33 39 Ba 0.11036744009964 0.87500000000000 0.75468304417144 137.327 > 33 40 Ba 0.61036744009964 0.87500000000000 0.75468304417144 137.327 > 33 41 Ba 0.38963255990036 0.12500000000000 0.24531695582856 137.327 > 41 42 Ba 0.88963255990036 0.12500000000000 0.24531695582856 137.327 > 41 43 Ba 0.38963255990036 0.62500000000000 0.24531695582856 137.327 > 41 44 Ba 0.88963255990036 0.62500000000000 0.24531695582856 137.327 > 41 45 Ba 0.38963255990036 0.12500000000000 0.74531695582856 137.327 > 41 46 Ba 0.88963255990036 0.12500000000000 0.74531695582856 137.327 > 41 47 Ba 0.38963255990036 0.62500000000000 0.74531695582856 137.327 > 41 48 Ba 0.88963255990036 0.62500000000000 0.74531695582856 137.327 > 41 49 S 0.06484270832100 0.25189471948062 0.42675606074506 32.065 > 49 50 S 0.56484270832100 0.25189471948062 0.42675606074506 32.065 > 49 51 S 0.06484270832100 0.75189471948062 0.42675606074506 32.065 > 49 52 S 0.56484270832100 0.75189471948062 0.42675606074506 32.065 > 49 53 S 0.06484270832100 0.25189471948062 0.92675606074506 32.065 > 49 54 S 0.56484270832100 0.25189471948062 0.92675606074506 32.065 > 49 55 S 0.06484270832100 0.75189471948062 0.92675606074506 32.065 > 49 56 S 0.56484270832100 0.75189471948062 0.92675606074506 32.065 > 49 57 S 0.43515729167900 0.00189471948062 0.07324393925494 32.065 > 57 58 S 0.93515729167900 0.00189471948062 0.07324393925494 32.065 > 57 59 S 0.43515729167900 0.50189471948062 0.07324393925494 32.065 > 57 60 S 0.93515729167900 0.50189471948062 0.07324393925494 32.065 > 57 61 S 0.43515729167900 0.00189471948062 0.57324393925494 32.065 > 57 62 S 0.93515729167900 0.00189471948062 0.57324393925494 32.065 > 57 63 S 0.43515729167900 0.50189471948062 0.57324393925494 32.065 > 57 64 S 0.93515729167900 0.50189471948062 0.57324393925494 32.065 > 57 65 S 0.43515729167900 0.24810528051938 0.07324393925494 32.065 > 65 66 S 0.93515729167900 0.24810528051938 0.07324393925494 32.065 > 65 67 S 0.43515729167900 0.74810528051938 0.07324393925494 32.065 > 65 68 S 0.93515729167900 0.74810528051938 0.07324393925494 32.065 > 65 69 S 0.43515729167900 0.24810528051938 0.57324393925494 32.065 > 65 70 S 0.93515729167900 0.24810528051938 0.57324393925494 32.065 > 65 71 S 0.43515729167900 0.74810528051938 0.57324393925494 32.065 > 65 72 S 0.93515729167900 0.74810528051938 0.57324393925494 32.065 > 65 73 S 0.06484270832100 0.49810528051938 0.42675606074506 32.065 > 73 74 S 0.56484270832100 0.49810528051938 0.42675606074506 32.065 > 73 75 S 0.06484270832100 0.99810528051938 0.42675606074506 32.065 > 73 76 S 0.56484270832100 0.99810528051938 0.42675606074506 32.065 > 73 77 S 0.06484270832100 0.49810528051938 0.92675606074506 32.065 > 73 78 S 0.56484270832100 0.49810528051938 0.92675606074506 32.065 > 73 79 S 0.06484270832100 0.99810528051938 0.92675606074506 32.065 > 73 80 S 0.56484270832100 0.99810528051938 0.92675606074506 32.065 > 73 81 S 0.23670491854879 0.37500000000000 0.10627282943392 32.065 > 81 82 S 0.73670491854879 0.37500000000000 0.10627282943392 32.065 > 81 83 S 0.23670491854879 0.87500000000000 0.10627282943392 32.065 > 81 84 S 0.73670491854879 0.87500000000000 0.10627282943392 32.065 > 81 85 S 0.23670491854879 0.37500000000000 0.60627282943392 32.065 > 81 86 S 0.73670491854879 0.37500000000000 0.60627282943392 32.065 > 81 87 S 0.23670491854879 0.87500000000000 0.60627282943392 32.065 > 81 88 S 0.73670491854879 0.87500000000000 0.60627282943392 32.065 > 81 89 S 0.26329508145121 0.12500000000000 0.39372717056608 32.065 > 89 90 S 0.76329508145121 0.12500000000000 0.39372717056608 32.065 > 89 91 S 0.26329508145121 0.62500000000000 0.39372717056608 32.065 > 89 92 S 0.76329508145121 0.62500000000000 0.39372717056608 32.065 > 89 93 S 0.26329508145121 0.12500000000000 0.89372717056608 32.065 > 89 94 S 0.76329508145121 0.12500000000000 0.89372717056608 32.065 > 89 95 S 0.26329508145121 0.62500000000000 0.89372717056608 32.065 > 89 96 S 0.76329508145121 0.62500000000000 0.89372717056608 32.065 > 89 97 S 0.14355690518761 0.12500000000000 0.25220157126075 32.065 > 97 98 S 0.64355690518761 0.12500000000000 0.25220157126075 32.065 > 97 99 S 0.14355690518761 0.62500000000000 0.25220157126075 32.065 > 97 100 S 0.64355690518761 0.62500000000000 0.25220157126075 32.065 > 97 101 S 0.14355690518761 0.12500000000000 0.75220157126075 32.065 > 97 102 S 0.64355690518761 0.12500000000000 0.75220157126075 32.065 > 97 103 S 0.14355690518761 0.62500000000000 0.75220157126075 32.065 > 97 104 S 0.64355690518761 0.62500000000000 0.75220157126075 32.065 > 97 105 S 0.35644309481239 0.37500000000000 0.24779842873925 32.065 > 105 106 S 0.85644309481239 0.37500000000000 0.24779842873925 32.065 > 105 107 S 0.35644309481239 0.87500000000000 0.24779842873925 32.065 > 105 108 S 0.85644309481239 0.87500000000000 0.24779842873925 32.065 > 105 109 S 0.35644309481239 0.37500000000000 0.74779842873925 32.065 > 105 110 S 0.85644309481239 0.37500000000000 0.74779842873925 32.065 > 105 111 S 0.35644309481239 0.87500000000000 0.74779842873925 32.065 > 105 112 S 0.85644309481239 0.87500000000000 0.74779842873925 32.065 > 105 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 11.4432711 0.0000000 0.3719794 0.0000000 11.4467066 0.0000000 0.3719805 0.0000000 9.1644126 -------------------------- Born effective charges -------------------------- 1 Pd -0.1868458 -0.0294979 -0.3560511 0.1219377 -0.7428210 -0.2144200 0.1612555 -0.5961237 -0.8666605 2 Pd -0.1868458 0.0294979 -0.3560511 -0.1219377 -0.7428210 0.2144200 0.1612555 0.5961237 -0.8666605 3 Pd -0.2355962 0.0000000 -0.4831919 0.0000000 1.8821013 0.0000000 -0.7355158 0.0000000 -0.3859031 4 Pd -0.2355962 0.0000000 -0.4831919 0.0000000 1.8821013 0.0000000 -0.7355158 0.0000000 -0.3859031 5 Ba 2.8431519 0.0000000 -0.2191126 0.0000000 2.7541872 0.0000000 -0.2344609 0.0000000 3.6094721 6 Ba 2.8431519 0.0000000 -0.2191126 0.0000000 2.7541872 0.0000000 -0.2344609 0.0000000 3.6094721 7 S -0.7909895 -0.3639019 0.0117103 -0.4064188 -0.9945160 0.4825707 -0.1090396 0.1917481 -0.6444076 8 S -0.7909895 0.3639019 0.0117103 0.4064188 -0.9945160 -0.4825707 -0.1090396 -0.1917481 -0.6444076 9 S -0.7909895 -0.3639019 0.0117103 -0.4064188 -0.9945160 0.4825707 -0.1090396 0.1917481 -0.6444076 10 S -0.7909895 0.3639019 0.0117103 0.4064188 -0.9945160 -0.4825707 -0.1090396 -0.1917481 -0.6444076 11 S 1.1715112 0.0000000 1.2105468 0.0000000 -0.3461765 0.0000000 1.4651076 0.0000000 0.4324383 12 S 1.1715112 0.0000000 1.2105468 0.0000000 -0.3461765 0.0000000 1.4651076 0.0000000 0.4324383 13 S -2.0102421 0.0000000 -0.1756119 0.0000000 -1.5582589 0.0000000 -0.4383072 0.0000000 -1.5005317 14 S -2.0102421 0.0000000 -0.1756119 0.0000000 -1.5582589 0.0000000 -0.4383072 0.0000000 -1.5005317 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000014 (yxy) 0.00000014 (yxy) 0.00000014 (yyx) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 7 7 ] 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: 0.62, Number of G-points: 297, Lambda: 0.21 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/116) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 6.24e-05 6.24e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 116 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 1.798 ( 0.000 0.000 0.000) 0.000 1.984 ( 0.000 0.000 0.000) 0.000 2.134 ( 0.000 0.000 0.000) 0.000 2.164 ( 0.000 0.000 0.000) 0.000 2.360 ( 0.000 0.000 0.000) 0.000 2.583 ( 0.000 0.000 0.000) 0.000 2.818 ( 0.000 0.000 0.000) 0.000 3.025 ( 0.000 0.000 0.000) 0.000 3.035 ( 0.000 0.000 0.000) 0.000 3.059 ( 0.000 0.000 0.000) 0.000 3.355 ( 0.000 0.000 0.000) 0.000 3.838 ( 0.000 0.000 0.000) 0.000 4.025 ( 0.000 0.000 0.000) 0.000 4.117 ( 0.000 0.000 0.000) 0.000 4.204 ( 0.000 0.000 0.000) 0.000 4.320 ( 0.000 0.000 0.000) 0.000 4.681 ( 0.000 0.000 0.000) 0.000 4.966 ( 0.000 0.000 0.000) 0.000 5.033 ( 0.000 0.000 0.000) 0.000 5.394 ( 0.000 0.000 0.000) 0.000 6.461 ( 0.000 0.000 0.000) 0.000 7.858 ( 0.000 0.000 0.000) 0.000 7.972 ( 0.000 0.000 0.000) 0.000 8.342 ( 0.000 0.000 0.000) 0.000 8.771 ( 0.000 0.000 0.000) 0.000 8.816 ( 0.000 0.000 0.000) 0.000 8.881 ( 0.000 0.000 0.000) 0.000 9.092 ( 0.000 0.000 0.000) 0.000 9.536 ( 0.000 0.000 0.000) 0.000 9.645 ( 0.000 0.000 0.000) 0.000 10.176 ( 0.000 0.000 0.000) 0.000 10.222 ( 0.000 0.000 0.000) 0.000 10.735 ( 0.000 0.000 0.000) 0.000 10.747 ( 0.000 0.000 0.000) 0.000 10.866 ( 0.000 0.000 0.000) 0.000 11.006 ( 0.000 0.000 0.000) 0.000 11.080 ( 0.000 0.000 0.000) 0.000 13.587 ( 0.000 0.000 0.000) 0.000 13.613 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/116) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 6.24e-05 6.24e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.413 ( 20.052 0.000 4.352) 20.519 0.442 ( 21.646 0.000 4.100) 22.031 0.759 ( 35.953 0.000 10.011) 37.321 1.835 ( 3.291 0.000 1.121) 3.476 2.095 ( -2.607 0.000 -0.441) 2.644 2.146 ( -1.715 0.000 -0.557) 1.803 2.238 ( -2.590 0.000 10.710) 11.019 2.406 ( 4.401 0.000 0.129) 4.403 2.585 ( 1.243 0.000 -3.057) 3.300 2.826 ( 0.313 0.000 -2.955) 2.972 3.016 ( -4.172 0.000 0.496) 4.201 3.034 ( -2.227 0.000 4.835) 5.323 3.057 ( 1.468 0.000 2.255) 2.691 3.366 ( 1.901 0.000 0.428) 1.948 3.752 ( -6.903 0.000 -0.810) 6.951 4.076 ( 2.835 0.000 2.706) 3.919 4.126 ( 0.624 0.000 0.466) 0.779 4.299 ( -0.092 0.000 -1.508) 1.511 4.457 ( 9.437 0.000 -7.692) 12.174 4.692 ( 1.231 0.000 -0.106) 1.236 4.931 ( -4.984 0.000 0.052) 4.984 5.013 ( -2.631 0.000 -1.376) 2.970 5.447 ( 5.332 0.000 -0.004) 5.332 6.440 ( -2.993 0.000 -5.576) 6.328 7.815 ( -12.996 0.000 -0.582) 13.009 7.939 ( 7.987 0.000 -0.179) 7.989 8.447 ( 8.089 0.000 -0.060) 8.090 8.780 ( -0.219 0.000 1.512) 1.528 8.798 ( -0.980 0.000 -1.013) 1.409 8.885 ( -0.309 0.000 0.623) 0.695 9.139 ( 5.093 0.000 0.048) 5.093 9.621 ( -1.297 0.000 4.104) 4.304 9.650 ( 0.668 0.000 -0.467) 0.816 10.154 ( -6.495 0.000 0.830) 6.548 10.195 ( 1.841 0.000 0.273) 1.862 10.732 ( -2.548 0.000 -1.011) 2.742 10.784 ( 2.590 0.000 0.534) 2.644 10.855 ( 0.204 0.000 0.560) 0.596 10.981 ( -2.490 0.000 -0.412) 2.524 11.099 ( 0.396 0.000 -0.322) 0.510 13.592 ( 0.297 0.000 0.426) 0.520 13.779 ( -2.444 0.000 5.900) 6.386 ======================= Grid point 2 (3/116) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 6.24e-05 6.24e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.807 ( 18.798 0.000 3.330) 19.091 0.862 ( 20.285 0.000 2.319) 20.417 1.474 ( 32.847 0.000 7.275) 33.642 1.927 ( 5.407 0.000 1.058) 5.509 2.054 ( -1.012 0.000 -0.138) 1.021 2.093 ( -3.422 0.000 -0.641) 3.482 2.208 ( -6.750 0.000 5.509) 8.713 2.505 ( 4.797 0.000 1.333) 4.979 2.638 ( 7.008 0.000 -3.546) 7.854 2.714 ( -10.086 0.000 -2.253) 10.335 2.955 ( -2.089 0.000 -0.401) 2.127 3.020 ( -3.043 0.000 5.439) 6.232 3.106 ( 2.398 0.000 0.161) 2.403 3.458 ( 7.359 0.000 0.025) 7.359 3.619 ( -6.222 0.000 -0.258) 6.228 4.106 ( -5.253 0.000 3.434) 6.276 4.141 ( 0.482 0.000 0.561) 0.739 4.301 ( 1.261 0.000 1.164) 1.716 4.531 ( 1.332 0.000 -4.094) 4.305 4.726 ( 2.423 0.000 -0.175) 2.429 4.826 ( -1.799 0.000 -1.061) 2.089 4.981 ( -0.599 0.000 -1.177) 1.320 5.573 ( 7.380 0.000 -0.010) 7.380 6.329 ( -3.583 0.000 -6.325) 7.270 7.553 ( -13.398 0.000 -0.414) 13.404 8.120 ( 10.754 0.000 -1.049) 10.805 8.590 ( 7.071 0.000 -0.764) 7.112 8.741 ( -3.518 0.000 1.223) 3.725 8.812 ( 1.580 0.000 -0.156) 1.588 8.866 ( -2.304 0.000 1.099) 2.553 9.273 ( 8.397 0.000 0.172) 8.399 9.629 ( -0.085 0.000 1.665) 1.667 9.662 ( 0.960 0.000 -0.727) 1.204 10.028 ( -7.040 0.000 1.393) 7.177 10.245 ( 3.195 0.000 0.453) 3.227 10.652 ( -5.136 0.000 -0.853) 5.206 10.753 ( -4.050 0.000 0.116) 4.052 10.917 ( -3.591 0.000 -0.542) 3.631 10.936 ( 5.202 0.000 1.301) 5.362 11.108 ( 0.705 0.000 -0.060) 0.707 13.602 ( 0.307 0.000 0.518) 0.602 13.775 ( -1.115 0.000 2.241) 2.503 ======================= Grid point 3 (4/116) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 6.24e-05 6.24e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.146 ( 14.278 0.000 1.984) 14.415 1.216 ( 15.493 0.000 0.412) 15.498 1.929 ( 4.120 0.000 1.934) 4.552 2.004 ( -3.132 0.000 -1.621) 3.527 2.059 ( 6.016 0.000 1.547) 6.211 2.090 ( -5.716 0.000 1.872) 6.014 2.188 ( 18.366 0.000 3.268) 18.654 2.471 ( -13.285 0.000 -0.901) 13.315 2.574 ( 0.907 0.000 1.172) 1.482 2.785 ( 11.867 0.000 -4.610) 12.731 2.919 ( -1.355 0.000 -0.485) 1.440 3.003 ( -3.237 0.000 6.534) 7.292 3.144 ( 1.509 0.000 -0.023) 1.509 3.527 ( -3.408 0.000 0.165) 3.412 3.597 ( 6.233 0.000 -0.389) 6.245 3.859 ( -20.080 0.000 0.837) 20.097 4.150 ( 0.161 0.000 0.374) 0.407 4.373 ( 3.620 0.000 3.012) 4.709 4.499 ( -0.333 0.000 -3.344) 3.360 4.773 ( 2.434 0.000 -0.156) 2.439 4.855 ( 3.151 0.000 -0.808) 3.253 4.963 ( -0.452 0.000 -0.810) 0.928 5.697 ( 5.166 0.000 -0.010) 5.166 6.236 ( -2.036 0.000 -4.208) 4.674 7.338 ( -8.567 0.000 -0.146) 8.568 8.293 ( 7.919 0.000 -1.650) 8.089 8.687 ( -2.961 0.000 1.450) 3.297 8.696 ( 4.859 0.000 -1.316) 5.034 8.824 ( -2.787 0.000 1.392) 3.115 8.838 ( 1.049 0.000 0.084) 1.052 9.422 ( 6.425 0.000 0.179) 6.427 9.639 ( 0.273 0.000 0.677) 0.730 9.675 ( 0.839 0.000 -0.525) 0.990 9.926 ( -4.552 0.000 1.051) 4.672 10.317 ( 3.902 0.000 0.481) 3.931 10.540 ( -5.769 0.000 -0.794) 5.823 10.676 ( -3.616 0.000 0.106) 3.618 10.853 ( -2.517 0.000 -0.307) 2.535 11.025 ( 3.130 0.000 0.860) 3.246 11.121 ( 0.514 0.000 0.026) 0.515 13.609 ( 0.133 0.000 0.299) 0.328 13.770 ( -0.488 0.000 0.865) 0.993 ======================= Grid point 4 (5/116) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 6.24e-05 6.24e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.306 ( 0.000 0.000 0.000) 0.000 1.384 ( 0.000 0.000 0.000) 0.000 1.926 ( 0.000 0.000 0.000) 0.000 1.949 ( 0.000 0.000 0.000) 0.000 2.034 ( 0.000 0.000 0.000) 0.000 2.196 ( 0.000 0.000 -0.000) 0.000 2.267 ( 0.000 0.000 0.000) 0.000 2.459 ( 0.000 0.000 0.000) 0.000 2.552 ( -0.000 0.000 0.000) 0.000 2.904 ( 0.000 0.000 0.000) 0.000 2.966 ( 0.000 0.000 -0.000) 0.000 2.975 ( -0.000 0.000 0.000) 0.000 3.163 ( 0.000 0.000 -0.000) 0.000 3.496 ( 0.000 0.000 0.000) 0.000 3.583 ( 0.000 0.000 0.000) 0.000 3.657 ( 0.000 0.000 0.000) 0.000 4.153 ( 0.000 0.000 -0.000) 0.000 4.437 ( 0.000 0.000 0.000) 0.000 4.473 ( 0.000 0.000 0.000) 0.000 4.799 ( 0.000 0.000 0.000) 0.000 4.886 ( 0.000 0.000 -0.000) 0.000 4.955 ( 0.000 0.000 0.000) 0.000 5.748 ( 0.000 0.000 0.000) 0.000 6.201 ( 0.000 0.000 0.000) 0.000 7.254 ( 0.000 0.000 0.000) 0.000 8.366 ( 0.000 0.000 0.000) 0.000 8.662 ( 0.000 0.000 0.000) 0.000 8.744 ( 0.000 0.000 -0.000) 0.000 8.795 ( 0.000 0.000 0.000) 0.000 8.848 ( 0.000 0.000 0.000) 0.000 9.488 ( 0.000 0.000 0.000) 0.000 9.645 ( 0.000 0.000 0.000) 0.000 9.682 ( 0.000 0.000 -0.000) 0.000 9.884 ( 0.000 0.000 0.000) 0.000 10.377 ( 0.000 0.000 0.000) 0.000 10.459 ( 0.000 0.000 -0.000) 0.000 10.639 ( -0.000 0.000 0.000) 0.000 10.827 ( 0.000 0.000 0.000) 0.000 11.058 ( 0.000 0.000 0.000) 0.000 11.126 ( 0.000 0.000 0.000) 0.000 13.611 ( 0.000 0.000 0.000) 0.000 13.769 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 9 (6/116) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 6.24e-05 6.24e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.397 ( 0.000 18.809 0.000) 18.809 0.485 ( 0.000 23.659 0.000) 23.659 0.871 ( 0.000 38.760 0.000) 38.760 1.970 ( 0.000 -1.241 0.000) 1.241 2.004 ( 0.000 1.848 0.000) 1.848 2.143 ( 0.000 2.311 0.000) 2.311 2.188 ( 0.000 1.948 0.000) 1.948 2.377 ( 0.000 1.520 0.000) 1.520 2.619 ( 0.000 3.391 0.000) 3.391 2.765 ( 0.000 -13.061 0.000) 13.061 3.006 ( 0.000 -2.653 0.000) 2.653 3.088 ( 0.000 0.954 0.000) 0.954 3.201 ( 0.000 2.443 0.000) 2.443 3.308 ( 0.000 -0.553 0.000) 0.553 3.737 ( 0.000 -8.817 0.000) 8.817 4.048 ( 0.000 1.848 0.000) 1.848 4.130 ( 0.000 -1.473 0.000) 1.473 4.247 ( 0.000 5.805 0.000) 5.805 4.357 ( 0.000 3.372 0.000) 3.372 4.697 ( 0.000 -6.229 0.000) 6.229 4.992 ( 0.000 -3.725 0.000) 3.725 5.214 ( 0.000 15.379 0.000) 15.379 5.306 ( 0.000 -8.380 0.000) 8.380 6.430 ( 0.000 -3.004 0.000) 3.004 7.860 ( 0.000 0.888 0.000) 0.888 8.073 ( 0.000 4.843 0.000) 4.843 8.336 ( 0.000 -0.803 0.000) 0.803 8.749 ( 0.000 -5.012 0.000) 5.012 8.796 ( 0.000 2.339 0.000) 2.339 8.951 ( 0.000 4.967 0.000) 4.967 9.112 ( 0.000 2.402 0.000) 2.402 9.503 ( 0.000 -2.899 0.000) 2.899 9.619 ( 0.000 -2.470 0.000) 2.470 10.121 ( 0.000 -4.983 0.000) 4.983 10.304 ( 0.000 3.517 0.000) 3.517 10.699 ( 0.000 -1.810 0.000) 1.810 10.774 ( 0.000 0.877 0.000) 0.877 10.902 ( 0.000 -3.164 0.000) 3.164 11.017 ( 0.000 0.679 0.000) 0.679 11.066 ( 0.000 -1.207 0.000) 1.207 13.586 ( 0.000 -0.115 0.000) 0.115 13.608 ( 0.000 -0.377 0.000) 0.377 ======================= Grid point 10 (7/116) ======================= q-point: ( 0.12 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 6.24e-05 6.24e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.562 ( 7.547 17.453 6.695) 20.159 0.669 ( 15.959 12.266 12.722) 23.812 1.146 ( 25.702 29.315 -1.529) 39.017 1.880 ( 0.443 1.924 -3.681) 4.177 2.119 ( -1.877 2.810 0.894) 3.495 2.163 ( 3.116 -3.407 6.997) 8.383 2.181 ( -0.809 3.064 -0.541) 3.215 2.416 ( 3.666 0.837 0.466) 3.789 2.603 ( 0.296 2.080 -1.633) 2.661 2.772 ( 1.886 -7.668 -1.358) 8.012 3.002 ( -2.550 -2.817 4.674) 6.024 3.058 ( -3.223 2.082 0.534) 3.874 3.164 ( -3.131 8.125 -2.223) 8.987 3.292 ( 1.507 -5.997 0.256) 6.189 3.675 ( -5.330 -6.857 -0.669) 8.711 4.081 ( 1.261 1.160 3.601) 3.988 4.169 ( 4.404 0.349 -3.431) 5.594 4.286 ( 1.799 1.767 1.869) 3.139 4.395 ( 3.027 0.010 1.018) 3.194 4.650 ( -0.918 -3.968 -3.270) 5.223 4.930 ( -6.951 -3.738 -0.942) 7.949 5.203 ( 0.225 15.955 -1.137) 15.997 5.363 ( 5.560 -8.028 -0.187) 9.768 6.398 ( -2.201 -3.300 -4.275) 5.832 7.825 ( -9.269 1.056 -0.701) 9.355 7.989 ( 2.342 3.744 -0.470) 4.441 8.458 ( 8.636 0.669 -0.156) 8.663 8.740 ( -1.118 -4.324 0.415) 4.485 8.808 ( 1.158 2.310 0.056) 2.584 8.943 ( -1.273 4.355 0.549) 4.570 9.163 ( 5.290 2.757 0.225) 5.969 9.544 ( 1.447 -4.836 2.600) 5.679 9.624 ( 0.571 -2.541 -0.400) 2.635 10.143 ( 2.112 -4.719 0.227) 5.175 10.217 ( -7.380 4.429 0.572) 8.626 10.721 ( -1.362 -0.620 -0.373) 1.543 10.782 ( 2.509 -0.621 0.516) 2.635 10.862 ( -2.757 -1.319 -0.167) 3.060 10.979 ( -2.204 0.467 -0.403) 2.289 11.082 ( 0.731 -1.321 -0.084) 1.512 13.590 ( 0.234 -0.179 0.394) 0.492 13.686 ( 2.685 -4.428 3.980) 6.531 ======================= Grid point 11 (8/116) ======================= q-point: ( 0.25 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 6.24e-05 6.24e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.830 ( 15.185 7.537 4.758) 17.608 1.052 ( 16.221 10.724 7.742) 20.930 1.668 ( 25.242 14.756 1.165) 29.262 1.920 ( 6.641 1.472 -0.829) 6.852 2.090 ( -2.325 1.091 0.733) 2.671 2.148 ( -0.199 6.050 -1.563) 6.252 2.189 ( -4.944 -0.609 4.813) 6.927 2.504 ( 4.396 -0.106 1.351) 4.600 2.654 ( 6.959 1.919 -3.010) 7.822 2.765 ( -3.910 1.719 -1.927) 4.685 2.957 ( -4.263 0.096 1.783) 4.622 2.996 ( -3.544 -0.650 3.471) 5.003 3.109 ( -0.629 0.871 -0.099) 1.079 3.372 ( 5.303 -8.222 -0.223) 9.786 3.569 ( -4.450 -4.177 -0.290) 6.110 4.102 ( -3.672 0.942 3.751) 5.333 4.217 ( 0.413 4.429 -0.650) 4.495 4.323 ( 2.455 1.168 0.345) 2.741 4.448 ( 1.045 -3.561 2.513) 4.482 4.645 ( 2.211 -4.931 -3.511) 6.444 4.775 ( -5.463 -4.048 -1.988) 7.084 5.206 ( 0.807 15.606 -1.170) 15.671 5.484 ( 6.741 -8.399 -0.062) 10.770 6.304 ( -3.244 -2.388 -5.850) 7.102 7.590 ( -12.564 3.324 -0.338) 13.001 8.117 ( 8.870 -0.424 -1.186) 8.959 8.601 ( 6.343 0.702 -0.682) 6.418 8.719 ( -1.140 -1.956 0.770) 2.391 8.835 ( 1.352 2.480 0.377) 2.850 8.912 ( -2.303 3.916 0.969) 4.645 9.299 ( 8.267 2.685 0.214) 8.695 9.577 ( 0.679 -4.307 1.436) 4.591 9.633 ( 0.806 -2.681 -0.575) 2.858 10.081 ( -7.162 4.542 1.178) 8.562 10.201 ( 3.745 -4.162 0.375) 5.611 10.642 ( -5.748 -0.803 -0.585) 5.833 10.766 ( -3.961 0.701 -0.182) 4.027 10.859 ( -0.387 -3.698 0.241) 3.726 10.964 ( 1.906 1.152 0.588) 2.303 11.094 ( 0.697 -1.257 -0.016) 1.437 13.598 ( 0.225 -0.323 0.483) 0.623 13.731 ( 0.284 -3.349 2.113) 3.970 ======================= Grid point 12 (9/116) ======================= q-point: ( 0.38 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 6.24e-05 6.24e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.155 ( 15.538 3.101 2.722) 16.077 1.355 ( 10.665 9.491 2.556) 14.504 1.874 ( 1.823 -2.938 1.369) 3.718 2.006 ( -3.807 -1.162 -0.021) 3.980 2.075 ( -6.678 -0.014 1.838) 6.926 2.181 ( 4.940 7.346 -0.735) 8.883 2.291 ( 19.752 9.905 0.229) 22.098 2.520 ( -7.064 2.764 -0.907) 7.640 2.644 ( -2.950 8.137 1.427) 8.772 2.811 ( 12.505 2.610 -4.894) 13.680 2.917 ( -1.187 -0.607 -0.039) 1.334 2.973 ( -2.374 -2.290 6.335) 7.143 3.125 ( 1.472 -1.293 0.731) 2.091 3.410 ( -1.259 -9.999 0.030) 10.078 3.557 ( 2.826 -3.795 -0.422) 4.751 3.896 ( -18.783 3.368 1.309) 19.128 4.202 ( -0.353 4.041 0.455) 4.081 4.404 ( 4.497 1.957 0.702) 4.954 4.486 ( 1.102 -1.406 2.105) 2.761 4.632 ( -0.291 -4.619 -3.389) 5.736 4.759 ( 2.535 -8.520 -0.894) 8.934 5.212 ( 0.559 15.538 -0.896) 15.574 5.593 ( 4.422 -9.737 0.017) 10.694 6.216 ( -1.971 -1.901 -4.009) 4.855 7.390 ( -7.847 4.811 -0.067) 9.205 8.256 ( 6.195 -3.555 -1.463) 7.291 8.656 ( -0.082 -0.776 0.341) 0.852 8.743 ( 3.422 1.581 -0.422) 3.793 8.845 ( -1.314 3.314 0.820) 3.658 8.890 ( -0.206 3.876 0.719) 3.948 9.445 ( 6.322 2.350 0.162) 6.746 9.595 ( 0.486 -3.942 0.574) 4.013 9.645 ( 0.815 -2.649 -0.381) 2.798 9.976 ( -4.607 4.455 0.903) 6.472 10.286 ( 4.865 -3.200 0.431) 5.839 10.516 ( -6.757 -1.728 -0.627) 7.003 10.690 ( -3.466 0.895 -0.016) 3.580 10.824 ( -2.045 -2.471 -0.165) 3.212 11.025 ( 2.679 -0.065 0.747) 2.782 11.107 ( 0.516 -1.249 0.044) 1.352 13.603 ( 0.082 -0.449 0.282) 0.536 13.741 ( -0.125 -2.513 0.876) 2.664 ======================= Grid point 13 (10/116) ======================= q-point: (-0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 6.24e-05 6.24e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.385 ( 0.000 0.922 -0.000) 0.922 1.418 ( 0.000 8.387 0.000) 8.387 1.926 ( -0.000 -2.442 0.000) 2.442 1.935 ( 0.000 0.887 0.000) 0.887 1.994 ( -0.000 -1.106 0.000) 1.106 2.284 ( 0.000 1.517 0.000) 1.517 2.358 ( -0.000 11.335 0.000) 11.335 2.502 ( 0.000 3.805 -0.000) 3.805 2.630 ( -0.000 7.570 0.000) 7.570 2.892 ( 0.000 -2.211 0.000) 2.211 2.941 ( 0.000 -1.293 0.000) 1.293 3.024 ( 0.000 3.611 0.000) 3.611 3.166 ( 0.000 1.907 -0.000) 1.907 3.392 ( 0.000 -8.986 0.000) 8.986 3.565 ( 0.000 -3.323 -0.000) 3.323 3.653 ( 0.000 1.544 0.000) 1.544 4.202 ( 0.000 3.892 -0.000) 3.892 4.461 ( 0.000 1.070 0.000) 1.070 4.501 ( 0.000 2.698 0.000) 2.698 4.615 ( 0.000 -7.542 -0.000) 7.542 4.785 ( 0.000 -9.020 0.000) 9.020 5.214 ( 0.000 15.429 -0.000) 15.429 5.637 ( 0.000 -10.439 0.000) 10.439 6.182 ( 0.000 -1.798 0.000) 1.798 7.314 ( -0.000 5.515 0.000) 5.515 8.311 ( 0.000 -5.104 -0.000) 5.104 8.652 ( 0.000 0.135 0.000) 0.135 8.789 ( 0.000 -0.211 -0.000) 0.211 8.821 ( 0.000 5.918 -0.000) 5.918 8.895 ( 0.000 3.693 0.000) 3.693 9.509 ( 0.000 2.050 0.000) 2.050 9.602 ( 0.000 -3.894 0.000) 3.894 9.654 ( 0.000 -2.348 -0.000) 2.348 9.933 ( 0.000 4.335 0.000) 4.335 10.382 ( 0.000 0.280 0.000) 0.280 10.400 ( -0.000 -5.135 -0.000) 5.135 10.655 ( 0.000 1.008 -0.000) 1.008 10.802 ( 0.000 -2.174 0.000) 2.174 11.054 ( 0.000 -0.375 -0.000) 0.375 11.112 ( 0.000 -1.237 0.000) 1.237 13.605 ( 0.000 -0.496 0.000) 0.496 13.743 ( 0.000 -2.301 0.000) 2.301 ======================= Grid point 18 (11/116) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 6.24e-05 6.24e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.795 ( 0.000 18.731 0.000) 18.731 1.008 ( 0.000 25.700 0.000) 25.700 1.569 ( 0.000 23.665 0.000) 23.665 1.864 ( 0.000 -6.634 0.000) 6.634 2.060 ( 0.000 3.245 0.000) 3.245 2.231 ( 0.000 1.953 0.000) 1.953 2.272 ( 0.000 8.983 0.000) 8.983 2.349 ( 0.000 -8.376 0.000) 8.376 2.568 ( 0.000 -1.252 0.000) 1.252 2.723 ( 0.000 6.304 0.000) 6.304 2.928 ( 0.000 -4.486 0.000) 4.486 2.939 ( 0.000 -12.575 0.000) 12.575 3.162 ( 0.000 -3.067 0.000) 3.067 3.479 ( 0.000 -15.287 0.000) 15.287 3.503 ( 0.000 15.035 0.000) 15.035 4.075 ( 0.000 -3.019 0.000) 3.019 4.096 ( 0.000 2.951 0.000) 2.951 4.402 ( 0.000 7.620 0.000) 7.620 4.457 ( 0.000 5.839 0.000) 5.839 4.623 ( 0.000 -1.149 0.000) 1.149 4.885 ( 0.000 -6.194 0.000) 6.194 5.041 ( 0.000 -16.325 0.000) 16.325 5.553 ( 0.000 16.119 0.000) 16.119 6.329 ( 0.000 -6.662 0.000) 6.662 7.916 ( 0.000 4.488 0.000) 4.488 8.191 ( 0.000 6.014 0.000) 6.014 8.295 ( 0.000 -3.382 0.000) 3.382 8.617 ( 0.000 -7.238 0.000) 7.238 8.869 ( 0.000 4.491 0.000) 4.491 9.051 ( 0.000 3.760 0.000) 3.760 9.218 ( 0.000 7.071 0.000) 7.071 9.436 ( 0.000 -2.153 0.000) 2.153 9.543 ( 0.000 -4.640 0.000) 4.640 9.973 ( 0.000 -8.824 0.000) 8.824 10.407 ( 0.000 6.043 0.000) 6.043 10.670 ( 0.000 -0.824 0.000) 0.824 10.767 ( 0.000 -1.877 0.000) 1.877 10.819 ( 0.000 -4.372 0.000) 4.372 11.028 ( 0.000 0.333 0.000) 0.333 11.039 ( 0.000 -1.051 0.000) 1.051 13.583 ( 0.000 -0.085 0.000) 0.085 13.598 ( 0.000 -0.514 0.000) 0.514 ======================= Grid point 19 (12/116) ======================= q-point: ( 0.12 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 6.24e-05 6.24e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.957 ( 11.653 15.364 8.222) 20.963 1.014 ( -0.158 23.050 6.144) 23.856 1.703 ( 11.982 15.121 -3.690) 19.642 1.880 ( 5.789 2.116 -4.198) 7.457 2.116 ( 2.051 -1.296 4.256) 4.899 2.182 ( -3.691 2.386 0.457) 4.419 2.318 ( 2.574 9.835 1.524) 10.280 2.384 ( 4.519 -5.996 -0.887) 7.561 2.605 ( 4.580 0.030 -2.300) 5.125 2.714 ( -0.286 3.693 0.953) 3.824 2.908 ( -2.735 -6.624 4.164) 8.288 2.980 ( 2.754 -8.179 -0.467) 8.643 3.154 ( -0.297 -4.450 -0.616) 4.502 3.430 ( -6.933 15.465 -1.149) 16.986 3.469 ( -0.893 -12.599 -0.465) 12.639 4.100 ( 4.161 -3.654 -3.088) 6.341 4.126 ( 1.075 1.961 3.852) 4.454 4.401 ( -1.660 6.424 2.786) 7.196 4.455 ( 0.621 4.756 -0.271) 4.804 4.583 ( -2.370 -2.103 -1.778) 3.633 4.835 ( -5.139 -4.785 -0.894) 7.078 5.108 ( 5.980 -15.481 -0.350) 16.599 5.551 ( 0.278 16.153 -1.152) 16.196 6.300 ( -1.763 -6.248 -3.351) 7.305 7.875 ( -6.759 3.823 -0.575) 7.786 8.062 ( -2.638 2.520 -0.901) 3.758 8.465 ( 9.931 -0.059 0.007) 9.931 8.626 ( 0.991 -5.983 0.310) 6.073 8.881 ( 1.120 4.531 0.501) 4.694 9.039 ( -1.337 4.209 0.395) 4.434 9.267 ( 4.670 6.127 0.639) 7.730 9.453 ( 1.255 -2.605 0.804) 3.001 9.546 ( 0.451 -4.594 -0.315) 4.627 10.000 ( 2.730 -8.559 0.123) 8.985 10.330 ( -6.727 6.227 0.538) 9.182 10.709 ( -1.484 -0.804 -0.202) 1.700 10.741 ( 1.365 -3.347 0.653) 3.673 10.811 ( -1.147 -2.423 -0.229) 2.690 10.995 ( -1.985 0.798 -0.076) 2.141 11.051 ( 0.469 -1.434 0.031) 1.509 13.586 ( 0.115 -0.125 0.363) 0.400 13.625 ( 1.586 -1.822 1.690) 2.949 ======================= Grid point 20 (13/116) ======================= q-point: ( 0.25 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 6.24e-05 6.24e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.107 ( 5.536 17.194 6.863) 19.323 1.276 ( 14.071 10.655 7.888) 19.333 1.795 ( 2.064 -2.078 -2.825) 4.069 2.076 ( 3.710 5.657 -1.372) 6.903 2.104 ( 0.138 -0.049 2.040) 2.045 2.169 ( 5.503 2.365 -2.423) 6.461 2.393 ( 4.757 15.031 0.808) 15.787 2.485 ( 5.570 -2.027 0.654) 5.964 2.702 ( 7.921 1.865 -4.233) 9.172 2.766 ( 4.941 1.372 2.134) 5.554 2.883 ( -3.345 -5.431 5.423) 8.372 3.011 ( 0.039 -3.246 0.725) 3.326 3.150 ( 0.008 -9.946 -0.590) 9.964 3.262 ( -8.377 15.527 -1.263) 17.687 3.446 ( -0.719 -7.781 -0.556) 7.834 4.142 ( -1.934 1.721 3.081) 4.024 4.201 ( 6.412 -4.454 -1.772) 8.006 4.374 ( -3.304 3.215 3.380) 5.716 4.487 ( 1.072 5.152 2.164) 5.690 4.531 ( -0.778 -4.364 -2.598) 5.138 4.709 ( -5.192 -1.911 -3.085) 6.335 5.216 ( 5.063 -16.167 -0.287) 16.944 5.548 ( 0.422 15.533 -1.561) 15.617 6.225 ( -2.581 -5.163 -4.878) 7.558 7.689 ( -10.138 6.004 -0.246) 11.785 8.088 ( 3.655 -2.756 -1.292) 4.756 8.609 ( 4.699 0.014 -0.211) 4.704 8.671 ( 4.184 -2.157 0.171) 4.711 8.915 ( 1.804 4.786 0.892) 5.192 9.012 ( -1.844 5.036 0.725) 5.412 9.382 ( 6.318 2.897 0.672) 6.983 9.485 ( 1.510 -2.220 0.510) 2.733 9.558 ( 1.268 -3.564 -0.388) 3.803 10.072 ( 4.627 -7.911 0.230) 9.168 10.204 ( -6.687 6.814 0.860) 9.586 10.610 ( -6.705 -2.797 -0.296) 7.271 10.767 ( -3.108 -0.918 -0.134) 3.243 10.786 ( 0.191 -2.341 0.288) 2.366 10.983 ( 0.977 0.764 0.525) 1.347 11.061 ( 0.608 -1.760 0.091) 1.864 13.591 ( 0.069 -0.219 0.454) 0.508 13.662 ( 0.872 -2.873 1.518) 3.365 ======================= Grid point 21 (14/116) ======================= q-point: ( 0.38 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 6.24e-05 6.24e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.297 ( 9.457 10.064 4.749) 14.603 1.543 ( 8.058 7.793 2.671) 11.523 1.804 ( 0.501 -3.983 1.758) 4.382 1.994 ( -4.252 -0.620 -0.100) 4.298 2.090 ( -3.153 2.313 -0.514) 3.944 2.283 ( 4.227 2.631 -2.368) 5.513 2.528 ( 7.673 9.709 -2.370) 12.599 2.561 ( 1.070 1.520 0.970) 2.097 2.783 ( 1.590 -0.769 0.187) 1.777 2.857 ( 0.503 -0.389 0.362) 0.732 2.951 ( 5.003 1.512 3.498) 6.289 2.971 ( -1.337 3.732 -1.232) 4.151 3.125 ( -1.255 -8.759 0.847) 8.889 3.224 ( 7.317 11.294 0.215) 13.459 3.445 ( 0.833 -6.575 -0.684) 6.663 4.000 ( -15.715 6.478 1.865) 17.100 4.275 ( 1.256 1.383 -0.339) 1.899 4.375 ( 2.539 -2.439 1.876) 3.990 4.493 ( 0.407 -5.875 1.694) 6.128 4.565 ( 2.906 0.279 -0.232) 2.929 4.628 ( -1.289 0.787 -3.954) 4.232 5.284 ( 2.367 -18.565 -0.059) 18.715 5.543 ( 0.101 14.569 -1.189) 14.618 6.151 ( -1.741 -4.334 -3.471) 5.819 7.533 ( -5.996 8.391 0.023) 10.313 8.140 ( 2.385 -7.381 -0.980) 7.818 8.661 ( 1.702 1.217 0.134) 2.096 8.754 ( 3.628 -0.168 -0.374) 3.651 8.952 ( 1.216 5.666 0.631) 5.830 8.988 ( -1.030 5.366 0.742) 5.514 9.474 ( 2.344 -4.428 0.521) 5.037 9.513 ( 1.127 -2.010 -0.118) 2.308 9.604 ( 3.940 2.581 -0.115) 4.712 10.097 ( -4.479 6.253 0.691) 7.723 10.176 ( 5.444 -6.705 0.212) 8.639 10.473 ( -7.211 -2.647 -0.294) 7.687 10.703 ( -3.022 0.255 -0.071) 3.034 10.765 ( -1.640 -2.676 0.014) 3.138 11.022 ( 1.919 -0.144 0.580) 2.010 11.073 ( 0.555 -1.706 0.111) 1.797 13.594 ( -0.017 -0.304 0.274) 0.410 13.679 ( 0.204 -3.015 0.772) 3.119 ======================= Grid point 22 (15/116) ======================= q-point: (-0.50 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 6.24e-05 6.24e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.457 ( 0.000 6.132 -0.000) 6.132 1.568 ( 0.000 4.702 -0.000) 4.702 1.854 ( 0.000 -3.667 0.000) 3.667 1.953 ( 0.000 0.226 0.000) 0.226 2.035 ( -0.000 5.238 0.000) 5.238 2.319 ( 0.000 1.266 0.000) 1.266 2.548 ( 0.000 5.808 -0.000) 5.808 2.600 ( 0.000 4.958 0.000) 4.958 2.801 ( 0.000 -5.403 0.000) 5.403 2.849 ( 0.000 10.752 0.000) 10.752 2.922 ( 0.000 -1.069 -0.000) 1.069 3.021 ( -0.000 -3.094 0.000) 3.094 3.124 ( 0.000 -12.281 0.000) 12.281 3.443 ( 0.000 -7.391 0.000) 7.391 3.446 ( -0.000 21.930 -0.000) 21.930 3.737 ( 0.000 6.041 0.000) 6.041 4.282 ( 0.000 3.051 -0.000) 3.051 4.416 ( 0.000 -3.324 0.000) 3.324 4.519 ( 0.000 -10.937 0.000) 10.937 4.589 ( -0.000 2.351 0.000) 2.351 4.599 ( 0.000 2.037 -0.000) 2.037 5.306 ( -0.000 -19.916 0.000) 19.916 5.539 ( 0.000 14.103 -0.000) 14.103 6.121 ( 0.000 -4.074 0.000) 4.074 7.475 ( -0.000 9.437 0.000) 9.437 8.159 ( 0.000 -9.006 -0.000) 9.006 8.678 ( 0.000 2.165 0.000) 2.165 8.788 ( 0.000 -0.071 -0.000) 0.071 8.964 ( -0.000 7.120 0.000) 7.120 8.984 ( 0.000 4.452 0.000) 4.452 9.494 ( 0.000 -5.875 0.000) 5.875 9.522 ( 0.000 -3.323 0.000) 3.323 9.654 ( 0.000 5.172 0.000) 5.172 10.052 ( 0.000 6.481 0.000) 6.481 10.256 ( 0.000 -8.161 0.000) 8.161 10.375 ( 0.000 -1.224 -0.000) 1.224 10.671 ( 0.000 0.526 -0.000) 0.526 10.747 ( 0.000 -2.690 0.000) 2.690 11.044 ( 0.000 -0.500 -0.000) 0.500 11.080 ( 0.000 -1.637 0.000) 1.637 13.595 ( 0.000 -0.336 0.000) 0.336 13.683 ( 0.000 -3.004 0.000) 3.004 ======================= Grid point 27 (16/116) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 6.24e-05 6.24e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.185 ( 0.000 17.895 0.000) 17.895 1.538 ( 0.000 -14.765 0.000) 14.765 1.555 ( 0.000 25.172 0.000) 25.172 1.995 ( 0.000 2.059 0.000) 2.059 2.049 ( 0.000 -11.561 0.000) 11.561 2.109 ( 0.000 -0.123 0.000) 0.123 2.287 ( 0.000 4.384 0.000) 4.384 2.404 ( 0.000 -2.920 0.000) 2.920 2.681 ( 0.000 9.686 0.000) 9.686 2.786 ( 0.000 4.589 0.000) 4.589 2.811 ( 0.000 -4.408 0.000) 4.408 2.888 ( 0.000 6.937 0.000) 6.937 3.051 ( 0.000 -7.065 0.000) 7.065 3.112 ( 0.000 -18.585 0.000) 18.585 3.840 ( 0.000 13.202 0.000) 13.202 4.003 ( 0.000 -4.213 0.000) 4.213 4.229 ( 0.000 12.160 0.000) 12.160 4.531 ( 0.000 2.695 0.000) 2.695 4.577 ( 0.000 3.063 0.000) 3.063 4.625 ( 0.000 -18.933 0.000) 18.933 4.628 ( 0.000 2.902 0.000) 2.902 4.757 ( 0.000 -7.248 0.000) 7.248 5.878 ( 0.000 14.240 0.000) 14.240 6.145 ( 0.000 -10.746 0.000) 10.746 8.042 ( 0.000 7.037 0.000) 7.037 8.190 ( 0.000 -6.360 0.000) 6.360 8.321 ( 0.000 6.239 0.000) 6.239 8.461 ( 0.000 -7.097 0.000) 7.097 8.979 ( 0.000 5.567 0.000) 5.567 9.075 ( 0.000 -2.332 0.000) 2.332 9.326 ( 0.000 3.754 0.000) 3.754 9.431 ( 0.000 -5.622 0.000) 5.622 9.521 ( 0.000 10.020 0.000) 10.020 9.758 ( 0.000 -11.225 0.000) 11.225 10.547 ( 0.000 6.756 0.000) 6.756 10.661 ( 0.000 -1.621 0.000) 1.621 10.700 ( 0.000 -2.460 0.000) 2.460 10.733 ( 0.000 -3.435 0.000) 3.435 11.028 ( 0.000 -0.047 0.000) 0.047 11.030 ( 0.000 -0.086 0.000) 0.086 13.583 ( 0.000 0.117 0.000) 0.117 13.589 ( 0.000 -0.377 0.000) 0.377 ======================= Grid point 28 (17/116) ======================= q-point: ( 0.12 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 6.24e-05 6.24e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.283 ( 8.301 15.081 3.315) 17.531 1.480 ( -3.182 12.756 4.911) 14.034 1.644 ( 4.645 -1.902 -0.591) 5.054 1.964 ( -5.276 -14.906 4.190) 16.358 2.101 ( 9.197 8.871 -2.648) 13.050 2.233 ( 7.230 -4.899 -3.409) 9.375 2.282 ( 2.102 7.031 1.409) 7.472 2.452 ( 4.153 -5.065 2.165) 6.898 2.720 ( 4.687 6.057 -2.885) 8.185 2.743 ( -0.483 5.016 -3.511) 6.142 2.865 ( 1.358 0.108 4.350) 4.558 2.884 ( 0.058 5.937 0.430) 5.953 3.033 ( -1.916 -6.964 0.170) 7.225 3.147 ( 3.492 -17.095 0.287) 17.451 3.789 ( -4.921 15.339 -0.969) 16.138 3.999 ( 0.133 -5.883 -1.093) 5.985 4.233 ( -0.060 9.173 1.984) 9.385 4.460 ( -7.669 -5.690 0.569) 9.566 4.545 ( 1.229 3.115 0.095) 3.350 4.573 ( -0.242 2.404 -0.051) 2.417 4.740 ( -1.400 -3.771 -0.743) 4.090 4.778 ( 5.961 -11.559 -0.223) 13.007 5.871 ( -0.114 13.832 -1.688) 13.935 6.127 ( -0.939 -10.172 -2.487) 10.514 7.979 ( -6.417 5.409 -0.823) 8.433 8.069 ( -5.794 -2.264 -1.107) 6.318 8.467 ( 9.371 0.740 0.320) 9.406 8.515 ( 4.882 -3.948 0.470) 6.296 8.991 ( 1.014 5.493 0.703) 5.630 9.080 ( 0.179 -1.569 0.690) 1.723 9.334 ( 0.693 2.359 0.355) 2.484 9.426 ( -0.307 -5.223 -0.121) 5.234 9.557 ( 3.681 9.924 -0.016) 10.585 9.790 ( 3.304 -10.972 0.063) 11.459 10.473 ( -5.990 7.005 0.368) 9.225 10.617 ( -5.021 -6.385 0.199) 8.125 10.727 ( 2.856 1.114 0.210) 3.073 10.764 ( 1.179 -2.141 0.011) 2.444 11.010 ( -1.350 0.653 0.140) 1.506 11.026 ( -0.475 -0.914 0.107) 1.035 13.587 ( 0.136 0.241 0.451) 0.529 13.598 ( 0.548 -0.854 0.793) 1.288 ======================= Grid point 29 (18/116) ======================= q-point: ( 0.25 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 6.24e-05 6.24e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.468 ( 2.714 12.280 5.993) 13.931 1.522 ( 7.404 13.779 5.468) 16.570 1.700 ( 1.810 -4.363 -1.418) 4.932 1.914 ( -2.600 -13.788 3.371) 14.430 2.213 ( 1.540 5.025 -4.396) 6.851 2.248 ( 4.895 2.281 -4.857) 7.263 2.454 ( 8.720 1.593 3.128) 9.400 2.577 ( 4.988 -5.228 5.486) 9.072 2.718 ( 0.804 3.322 -2.621) 4.307 2.804 ( 5.318 -1.520 -4.469) 7.111 2.863 ( -1.116 4.982 1.985) 5.478 2.974 ( 5.981 6.604 2.643) 9.294 2.988 ( -2.496 -5.814 0.293) 6.334 3.227 ( 4.021 -12.531 -0.105) 13.161 3.675 ( -4.439 19.779 -1.315) 20.314 4.005 ( 1.916 -11.297 -1.200) 11.521 4.256 ( 0.527 6.089 2.562) 6.627 4.370 ( -2.479 -3.402 0.951) 4.315 4.532 ( -4.082 4.411 0.931) 6.081 4.598 ( 2.670 2.978 -0.019) 3.999 4.681 ( -2.805 -0.098 -2.021) 3.459 4.848 ( 1.530 -15.895 -0.137) 15.969 5.850 ( -0.457 12.697 -2.533) 12.955 6.079 ( -1.596 -8.824 -3.700) 9.700 7.836 ( -6.909 7.544 -0.457) 10.240 7.990 ( -2.530 -6.390 -0.947) 6.938 8.612 ( 5.753 0.588 0.033) 5.783 8.634 ( 7.024 -1.401 -0.071) 7.163 9.024 ( 1.664 5.084 1.066) 5.454 9.088 ( -0.049 0.584 0.899) 1.074 9.355 ( 1.132 -0.408 0.385) 1.263 9.421 ( -0.122 -5.073 -0.178) 5.077 9.650 ( 5.957 10.095 0.015) 11.722 9.875 ( 5.442 -10.408 0.109) 11.745 10.359 ( -6.252 7.495 0.522) 9.774 10.509 ( -6.364 -6.389 0.124) 9.019 10.749 ( -1.166 -0.037 0.162) 1.178 10.760 ( -1.432 -0.858 0.035) 1.670 11.000 ( 0.423 0.949 0.438) 1.128 11.026 ( 0.428 -1.469 0.264) 1.553 13.593 ( 0.068 0.474 0.568) 0.743 13.614 ( 0.410 -1.606 0.921) 1.896 ======================= Grid point 30 (19/116) ======================= q-point: ( 0.38 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 6.24e-05 6.24e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( 1.729 10.365 5.348) 11.791 1.683 ( -2.026 -0.368 -1.010) 2.293 1.725 ( 7.334 3.413 3.913) 8.986 1.911 ( 0.195 -7.841 0.770) 7.882 2.193 ( 0.184 6.292 -2.980) 6.964 2.291 ( 3.065 -2.122 -4.485) 5.832 2.594 ( 3.215 2.312 3.106) 5.033 2.666 ( 0.871 -1.072 3.671) 3.922 2.720 ( 0.394 2.071 -0.969) 2.320 2.860 ( 2.966 -9.089 -1.738) 9.717 2.874 ( 1.336 2.122 0.286) 2.523 2.943 ( -1.753 -3.907 0.571) 4.320 3.080 ( 1.789 8.046 0.419) 8.253 3.270 ( 0.662 -8.968 -0.124) 8.993 3.696 ( 9.044 22.151 -1.019) 23.948 4.054 ( 2.058 -9.919 -0.435) 10.139 4.273 ( -0.921 6.927 1.477) 7.143 4.362 ( 0.080 -1.757 1.132) 2.092 4.411 ( -7.196 5.264 0.861) 8.957 4.623 ( -1.402 -3.912 -1.710) 4.494 4.654 ( 2.021 4.411 -0.179) 4.855 4.847 ( -0.983 -19.300 0.023) 19.325 5.823 ( -0.579 11.534 -1.911) 11.705 6.026 ( -1.258 -7.666 -2.708) 8.227 7.734 ( -3.661 10.262 -0.089) 10.895 7.952 ( -1.027 -9.992 -0.450) 10.054 8.699 ( 3.397 2.108 -0.121) 4.000 8.738 ( 3.952 -1.373 -0.282) 4.193 9.060 ( 1.278 4.365 0.766) 4.612 9.091 ( -0.194 2.686 0.666) 2.774 9.377 ( 0.869 -2.278 0.188) 2.445 9.419 ( 0.037 -4.931 -0.130) 4.933 9.766 ( 5.737 10.030 0.023) 11.555 9.984 ( 5.603 -9.968 0.114) 11.436 10.254 ( -4.949 7.081 0.368) 8.647 10.389 ( -6.095 -5.372 0.066) 8.125 10.707 ( -2.443 0.323 -0.011) 2.464 10.723 ( -2.081 -1.303 0.039) 2.456 11.024 ( 1.224 0.389 0.418) 1.351 11.041 ( 0.753 -1.246 0.245) 1.476 13.596 ( -0.032 0.637 0.355) 0.730 13.624 ( 0.109 -2.018 0.547) 2.094 ======================= Grid point 31 (20/116) ======================= q-point: (-0.50 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 6.24e-05 6.24e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.602 ( 0.000 4.966 0.000) 4.966 1.625 ( -0.000 1.232 -0.000) 1.232 1.818 ( 0.000 1.955 0.000) 1.955 1.916 ( -0.000 -4.281 0.000) 4.281 2.183 ( -0.000 7.516 0.000) 7.516 2.305 ( 0.000 -3.244 0.000) 3.244 2.626 ( 0.000 2.339 -0.000) 2.339 2.682 ( 0.000 -2.116 0.000) 2.116 2.723 ( 0.000 3.925 0.000) 3.925 2.870 ( 0.000 -8.532 -0.000) 8.532 2.902 ( 0.000 -0.297 0.000) 0.297 2.934 ( 0.000 -3.640 0.000) 3.640 3.082 ( 0.000 8.948 0.000) 8.948 3.271 ( 0.000 -8.691 -0.000) 8.691 3.903 ( -0.000 9.329 -0.000) 9.329 3.974 ( 0.000 17.835 -0.000) 17.835 4.265 ( 0.000 -0.768 0.000) 0.768 4.357 ( 0.000 1.224 -0.000) 1.224 4.369 ( 0.000 -1.474 0.000) 1.474 4.593 ( -0.000 -6.487 -0.000) 6.487 4.676 ( 0.000 3.255 0.000) 3.255 4.834 ( 0.000 -19.659 -0.000) 19.659 5.809 ( 0.000 11.076 -0.000) 11.076 6.003 ( 0.000 -7.258 0.000) 7.258 7.699 ( 0.000 11.349 0.000) 11.349 7.941 ( 0.000 -11.203 -0.000) 11.203 8.731 ( 0.000 2.569 0.000) 2.569 8.775 ( 0.000 -1.336 -0.000) 1.336 9.077 ( 0.000 3.832 -0.000) 3.832 9.091 ( 0.000 3.593 0.000) 3.593 9.386 ( 0.000 -2.814 0.000) 2.814 9.419 ( 0.000 -4.824 0.000) 4.824 9.830 ( 0.000 10.120 0.000) 10.120 10.050 ( 0.000 -10.007 0.000) 10.007 10.202 ( 0.000 6.209 0.000) 6.209 10.318 ( 0.000 -4.278 0.000) 4.278 10.681 ( 0.000 0.525 -0.000) 0.525 10.701 ( 0.000 -1.540 0.000) 1.540 11.038 ( 0.000 0.060 0.000) 0.060 11.050 ( 0.000 -1.040 0.000) 1.040 13.597 ( 0.000 0.690 0.000) 0.690 13.627 ( 0.000 -2.131 0.000) 2.131 ======================= Grid point 63 (21/116) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 6.24e-05 6.24e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.409 ( -2.113 0.000 18.692) 18.812 0.467 ( -9.593 0.000 21.358) 23.414 0.741 ( 2.315 0.000 33.670) 33.749 1.772 ( 2.287 0.000 -2.493) 3.383 1.978 ( 4.936 0.000 -7.919) 9.332 2.151 ( -0.255 0.000 -1.137) 1.165 2.199 ( 6.837 0.000 2.202) 7.182 2.335 ( 0.218 0.000 -1.110) 1.131 2.698 ( -1.903 0.000 5.239) 5.574 2.797 ( -2.760 0.000 -1.851) 3.323 3.008 ( 0.570 0.000 -1.608) 1.706 3.066 ( 0.400 0.000 0.564) 0.691 3.370 ( -0.012 0.000 1.314) 1.314 3.389 ( 3.036 0.000 -7.381) 7.981 3.822 ( -2.192 0.000 -1.191) 2.495 4.011 ( 0.714 0.000 -1.318) 1.499 4.072 ( 1.975 0.000 -3.693) 4.188 4.296 ( -7.646 0.000 2.689) 8.105 4.343 ( -4.434 0.000 2.009) 4.867 4.711 ( -1.020 0.000 2.441) 2.646 4.968 ( -0.405 0.000 0.112) 0.420 5.038 ( -0.265 0.000 -0.037) 0.267 5.391 ( 0.095 0.000 -0.260) 0.277 6.411 ( -3.012 0.000 -4.363) 5.302 7.851 ( 0.388 0.000 -0.620) 0.731 7.976 ( -1.271 0.000 0.411) 1.336 8.334 ( 0.770 0.000 -0.722) 1.056 8.769 ( 0.757 0.000 -0.062) 0.760 8.862 ( -2.257 0.000 0.500) 2.311 8.882 ( 0.545 0.000 0.179) 0.573 9.097 ( -0.112 0.000 0.407) 0.422 9.621 ( 5.592 0.000 0.074) 5.593 9.642 ( -0.351 0.000 -0.381) 0.518 10.181 ( -0.010 0.000 0.408) 0.408 10.243 ( 0.071 0.000 1.845) 1.846 10.739 ( 0.888 0.000 0.329) 0.946 10.745 ( -0.785 0.000 -0.518) 0.940 10.868 ( 0.209 0.000 0.208) 0.295 10.999 ( -0.394 0.000 -0.584) 0.705 11.083 ( 0.419 0.000 0.181) 0.456 13.594 ( 1.101 0.000 0.539) 1.226 13.716 ( 9.140 0.000 0.056) 9.140 ======================= Grid point 64 (22/116) ======================= q-point: ( 0.12 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 6.24e-05 6.24e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.565 ( 9.776 0.000 13.894) 16.989 0.632 ( 10.748 0.000 13.609) 17.341 1.214 ( 18.944 0.000 23.207) 29.958 1.823 ( 4.660 0.000 -2.388) 5.236 1.990 ( 3.167 0.000 -7.324) 7.980 2.127 ( -1.403 0.000 -1.121) 1.796 2.316 ( 2.769 0.000 -0.464) 2.808 2.364 ( 4.364 0.000 -1.771) 4.710 2.660 ( -5.218 0.000 5.963) 7.924 2.760 ( -0.395 0.000 -2.769) 2.797 3.026 ( 1.854 0.000 -2.100) 2.801 3.030 ( -4.276 0.000 0.758) 4.343 3.219 ( -7.758 0.000 3.788) 8.634 3.386 ( 1.429 0.000 1.344) 1.962 3.726 ( -5.630 0.000 -1.604) 5.854 4.089 ( 2.335 0.000 -3.498) 4.206 4.117 ( 7.241 0.000 0.130) 7.242 4.265 ( 1.251 0.000 1.706) 2.115 4.422 ( 5.514 0.000 1.185) 5.640 4.720 ( 0.154 0.000 2.367) 2.372 4.928 ( -5.935 0.000 -0.115) 5.936 4.980 ( -2.612 0.000 -1.579) 3.053 5.443 ( 5.376 0.000 -0.329) 5.386 6.308 ( -3.768 0.000 -5.995) 7.080 7.810 ( -13.195 0.000 0.163) 13.196 7.927 ( 7.563 0.000 -0.875) 7.614 8.438 ( 7.772 0.000 -0.758) 7.809 8.783 ( 0.885 0.000 0.261) 0.922 8.822 ( -2.571 0.000 1.228) 2.849 8.898 ( 0.292 0.000 0.549) 0.622 9.144 ( 4.986 0.000 0.414) 5.003 9.639 ( 0.404 0.000 -0.616) 0.736 9.651 ( -0.271 0.000 -0.219) 0.348 10.187 ( -6.473 0.000 2.068) 6.795 10.203 ( 1.964 0.000 0.464) 2.018 10.712 ( -2.607 0.000 -0.894) 2.756 10.793 ( 1.668 0.000 0.219) 1.683 10.870 ( 1.578 0.000 0.717) 1.734 10.968 ( -2.422 0.000 -0.636) 2.504 11.094 ( 0.626 0.000 -0.037) 0.627 13.607 ( 0.116 0.000 0.755) 0.764 13.793 ( 1.107 0.000 -1.807) 2.119 ======================= Grid point 65 (23/116) ======================= q-point: ( 0.25 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 6.24e-05 6.24e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.908 ( 16.852 0.000 5.940) 17.869 0.947 ( 13.485 0.000 8.944) 16.182 1.697 ( 18.300 0.000 8.393) 20.133 1.902 ( 5.661 0.000 -3.437) 6.623 2.022 ( 4.770 0.000 -1.337) 4.954 2.085 ( -2.417 0.000 -0.133) 2.420 2.287 ( -5.818 0.000 0.892) 5.886 2.456 ( 7.439 0.000 -3.954) 8.425 2.642 ( 0.240 0.000 2.495) 2.507 2.677 ( -8.337 0.000 -0.861) 8.381 2.957 ( -2.921 0.000 0.385) 2.946 3.037 ( 1.689 0.000 -2.525) 3.038 3.179 ( -1.739 0.000 4.503) 4.827 3.466 ( 6.248 0.000 0.616) 6.279 3.619 ( -4.707 0.000 -0.017) 4.707 4.106 ( 2.039 0.000 -3.437) 3.996 4.175 ( -6.316 0.000 2.610) 6.834 4.321 ( 4.749 0.000 0.498) 4.775 4.480 ( -1.087 0.000 -0.369) 1.148 4.750 ( 1.350 0.000 2.179) 2.563 4.804 ( -1.896 0.000 -0.967) 2.128 4.953 ( -0.246 0.000 -1.227) 1.252 5.567 ( 7.460 0.000 -0.480) 7.475 6.214 ( -1.925 0.000 -3.673) 4.147 7.553 ( -13.384 0.000 0.431) 13.391 8.093 ( 10.162 0.000 -1.295) 10.244 8.568 ( 6.583 0.000 -1.159) 6.684 8.771 ( -3.107 0.000 1.565) 3.478 8.814 ( 1.304 0.000 0.090) 1.307 8.888 ( -1.807 0.000 0.884) 2.011 9.279 ( 8.321 0.000 0.337) 8.328 9.643 ( -0.248 0.000 -0.204) 0.321 9.647 ( 0.936 0.000 -0.677) 1.155 10.064 ( -7.436 0.000 1.818) 7.655 10.256 ( 3.211 0.000 0.476) 3.247 10.632 ( -4.997 0.000 -0.908) 5.079 10.754 ( -4.010 0.000 -0.018) 4.010 10.908 ( -3.342 0.000 -0.231) 3.350 10.956 ( 4.976 0.000 0.446) 4.996 11.107 ( 0.775 0.000 -0.041) 0.776 13.611 ( -0.044 0.000 0.188) 0.193 13.785 ( -0.499 0.000 -0.770) 0.918 ======================= Grid point 66 (24/116) ======================= q-point: ( 0.38 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 6.24e-05 6.24e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.230 ( 13.265 0.000 2.500) 13.499 1.235 ( 10.294 0.000 6.020) 11.925 1.904 ( 2.759 0.000 -4.156) 4.989 1.957 ( 1.212 0.000 -3.210) 3.431 2.074 ( 3.378 0.000 0.260) 3.388 2.084 ( -4.568 0.000 -2.404) 5.162 2.291 ( 11.109 0.000 4.249) 11.894 2.458 ( -13.171 0.000 -0.164) 13.172 2.566 ( 5.815 0.000 -3.229) 6.652 2.679 ( 3.678 0.000 -3.036) 4.769 2.926 ( -1.231 0.000 1.045) 1.615 3.068 ( 2.710 0.000 -0.385) 2.738 3.187 ( -0.221 0.000 3.383) 3.390 3.556 ( -2.876 0.000 2.076) 3.547 3.596 ( 6.084 0.000 0.300) 6.091 3.877 ( -22.919 0.000 0.856) 22.935 4.114 ( 1.447 0.000 -3.400) 3.695 4.400 ( 2.105 0.000 -2.211) 3.053 4.475 ( 1.691 0.000 2.889) 3.348 4.796 ( 1.591 0.000 2.022) 2.573 4.841 ( 3.713 0.000 -0.541) 3.752 4.948 ( 0.344 0.000 -0.479) 0.589 5.690 ( 5.341 0.000 -0.610) 5.376 6.194 ( 0.960 0.000 0.602) 1.133 7.343 ( -8.670 0.000 0.602) 8.691 8.266 ( 8.557 0.000 -0.698) 8.585 8.665 ( 4.672 0.000 -1.381) 4.872 8.718 ( -3.630 0.000 1.248) 3.838 8.837 ( 0.974 0.000 -0.152) 0.986 8.853 ( -2.530 0.000 1.108) 2.762 9.425 ( 6.205 0.000 0.118) 6.206 9.639 ( 0.074 0.000 -0.655) 0.659 9.664 ( 1.264 0.000 -0.437) 1.337 9.949 ( -5.577 0.000 1.014) 5.669 10.325 ( 3.756 0.000 0.290) 3.767 10.526 ( -5.323 0.000 -0.370) 5.336 10.677 ( -3.645 0.000 -0.089) 3.646 10.852 ( -2.325 0.000 0.151) 2.330 11.030 ( 2.636 0.000 -0.447) 2.674 11.120 ( 0.522 0.000 -0.116) 0.534 13.609 ( -0.066 0.000 -0.360) 0.366 13.770 ( -0.529 0.000 -0.751) 0.918 ======================= Grid point 67 (25/116) ======================= q-point: (-0.50 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 6.24e-05 6.24e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.348 ( -3.853 0.000 3.778) 5.396 1.380 ( -1.340 0.000 -0.402) 1.399 1.807 ( -1.498 0.000 -10.380) 10.488 1.954 ( 1.862 0.000 0.168) 1.870 2.054 ( 1.271 0.000 2.242) 2.577 2.168 ( -2.117 0.000 -2.286) 3.115 2.268 ( 2.338 0.000 0.011) 2.338 2.450 ( -0.427 0.000 -1.476) 1.536 2.578 ( -3.240 0.000 2.469) 4.073 2.739 ( 7.328 0.000 -11.650) 13.763 2.923 ( -0.064 0.000 1.806) 1.807 3.080 ( -5.507 0.000 1.248) 5.647 3.194 ( -4.458 0.000 2.326) 5.028 3.517 ( -1.943 0.000 1.778) 2.634 3.603 ( 2.175 0.000 1.769) 2.803 3.666 ( 0.380 0.000 0.827) 0.910 4.110 ( 0.864 0.000 -3.739) 3.838 4.379 ( -1.478 0.000 -3.153) 3.482 4.537 ( 1.140 0.000 3.765) 3.934 4.823 ( -0.576 0.000 2.095) 2.173 4.886 ( 0.898 0.000 0.004) 0.898 4.958 ( 0.787 0.000 0.296) 0.841 5.740 ( 0.260 0.000 -0.651) 0.701 6.250 ( 2.822 0.000 4.202) 5.062 7.261 ( -0.147 0.000 0.645) 0.661 8.380 ( 2.293 0.000 1.226) 2.600 8.658 ( -2.339 0.000 -0.346) 2.364 8.725 ( 2.729 0.000 -1.186) 2.976 8.811 ( -2.678 0.000 0.912) 2.829 8.845 ( 0.008 0.000 -0.309) 0.309 9.486 ( -0.142 0.000 -0.101) 0.174 9.632 ( -0.238 0.000 -1.121) 1.146 9.682 ( 0.624 0.000 0.149) 0.642 9.885 ( -1.270 0.000 -0.064) 1.272 10.371 ( -1.021 0.000 -0.516) 1.144 10.468 ( 1.276 0.000 0.761) 1.485 10.637 ( -0.058 0.000 -0.205) 0.214 10.832 ( 0.170 0.000 0.456) 0.487 11.044 ( -0.457 0.000 -1.207) 1.290 11.124 ( 0.021 0.000 -0.192) 0.193 13.604 ( -0.041 0.000 -0.627) 0.628 13.754 ( -0.410 0.000 -1.234) 1.301 ======================= Grid point 68 (26/116) ======================= q-point: (-0.38 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 6.24e-05 6.24e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.130 ( -18.193 0.000 -8.610) 20.128 1.160 ( -16.817 0.000 3.367) 17.150 1.824 ( 5.223 0.000 -4.942) 7.191 1.993 ( -3.744 0.000 -4.082) 5.539 2.042 ( 0.888 0.000 1.522) 1.762 2.104 ( -0.084 0.000 3.048) 3.049 2.178 ( -22.608 0.000 2.010) 22.697 2.488 ( 14.558 0.000 0.560) 14.568 2.523 ( -3.370 0.000 -3.654) 4.971 2.780 ( 4.087 0.000 -6.778) 7.915 2.904 ( -7.383 0.000 -0.213) 7.386 2.947 ( 0.992 0.000 2.114) 2.335 3.154 ( -1.417 0.000 0.462) 1.491 3.548 ( 2.342 0.000 1.668) 2.875 3.614 ( -6.556 0.000 1.199) 6.665 3.847 ( 16.295 0.000 0.018) 16.295 4.096 ( 0.828 0.000 -4.404) 4.481 4.319 ( -2.390 0.000 -1.898) 3.052 4.571 ( 0.424 0.000 3.117) 3.146 4.802 ( -3.045 0.000 2.301) 3.817 4.873 ( -2.251 0.000 0.708) 2.360 4.978 ( 0.928 0.000 0.570) 1.089 5.690 ( -4.872 0.000 -0.593) 4.908 6.347 ( 3.480 0.000 5.373) 6.402 7.349 ( 8.569 0.000 0.763) 8.603 8.327 ( -8.511 0.000 1.314) 8.612 8.663 ( 2.957 0.000 -0.706) 3.040 8.712 ( -4.439 0.000 0.063) 4.439 8.802 ( 2.232 0.000 -0.524) 2.293 8.836 ( -0.644 0.000 0.011) 0.644 9.419 ( -6.460 0.000 -0.098) 6.460 9.613 ( -0.761 0.000 -1.623) 1.792 9.688 ( -0.404 0.000 0.833) 0.926 9.906 ( 3.813 0.000 -0.860) 3.909 10.307 ( -3.829 0.000 -0.381) 3.848 10.556 ( 5.733 0.000 0.615) 5.766 10.673 ( 3.654 0.000 -0.226) 3.661 10.864 ( 2.615 0.000 0.643) 2.693 10.998 ( -3.312 0.000 -1.485) 3.629 11.118 ( -0.397 0.000 -0.180) 0.436 13.598 ( -0.130 0.000 -0.745) 0.757 13.735 ( -0.464 0.000 -2.110) 2.160 ======================= Grid point 69 (27/116) ======================= q-point: (-0.25 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 6.24e-05 6.24e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.680 ( -20.701 0.000 -10.522) 23.222 0.829 ( -20.591 0.000 5.320) 21.267 1.551 ( -34.717 0.000 12.129) 36.775 1.867 ( -4.319 0.000 -4.267) 6.072 1.982 ( 4.240 0.000 -4.261) 6.011 2.109 ( 2.874 0.000 0.674) 2.952 2.162 ( 0.982 0.000 0.354) 1.044 2.412 ( -3.397 0.000 -6.060) 6.948 2.737 ( -6.400 0.000 4.076) 7.588 2.756 ( 11.880 0.000 1.363) 11.958 2.886 ( 6.770 0.000 -6.406) 9.320 2.979 ( 0.425 0.000 1.752) 1.803 3.122 ( -2.527 0.000 0.933) 2.694 3.466 ( -8.402 0.000 0.635) 8.426 3.633 ( 5.807 0.000 0.844) 5.868 4.047 ( 4.263 0.000 -1.677) 4.580 4.081 ( 1.010 0.000 -4.589) 4.698 4.291 ( 0.112 0.000 0.434) 0.449 4.611 ( 0.745 0.000 2.360) 2.475 4.757 ( -3.226 0.000 2.439) 4.044 4.851 ( 1.007 0.000 1.272) 1.622 5.000 ( 0.982 0.000 0.564) 1.133 5.568 ( -7.111 0.000 -0.464) 7.126 6.443 ( 2.972 0.000 3.372) 4.495 7.569 ( 13.431 0.000 0.920) 13.463 8.131 ( -11.597 0.000 -0.066) 11.598 8.596 ( -7.454 0.000 -0.285) 7.459 8.719 ( 2.812 0.000 -0.762) 2.914 8.830 ( -0.216 0.000 1.496) 1.511 8.847 ( 2.454 0.000 -0.515) 2.507 9.273 ( -8.271 0.000 0.107) 8.271 9.581 ( -1.213 0.000 -2.199) 2.511 9.677 ( -1.235 0.000 0.635) 1.388 10.010 ( 7.364 0.000 -0.229) 7.368 10.239 ( -3.085 0.000 -0.091) 3.086 10.664 ( 5.132 0.000 0.170) 5.135 10.750 ( 4.090 0.000 -0.163) 4.094 10.908 ( -4.907 0.000 -1.142) 5.038 10.928 ( 3.424 0.000 0.483) 3.458 11.108 ( -0.531 0.000 -0.144) 0.550 13.588 ( -0.225 0.000 -1.019) 1.044 13.702 ( -1.245 0.000 -3.182) 3.417 ======================= Grid point 70 (28/116) ======================= q-point: (-0.12 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 6.24e-05 6.24e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.335 ( -8.876 0.000 12.807) 15.582 0.509 ( -18.218 0.000 11.660) 21.630 0.990 ( -35.148 0.000 20.496) 40.687 1.784 ( -1.309 0.000 -3.530) 3.765 1.985 ( -2.136 0.000 -3.318) 3.947 2.139 ( -0.728 0.000 -0.653) 0.978 2.149 ( 1.228 0.000 -0.328) 1.271 2.353 ( -0.282 0.000 -2.870) 2.884 2.682 ( -1.689 0.000 3.900) 4.250 2.872 ( -2.379 0.000 1.135) 2.636 3.008 ( 5.081 0.000 -2.170) 5.525 3.011 ( 4.006 0.000 0.117) 4.008 3.122 ( 7.331 0.000 4.344) 8.521 3.370 ( -1.814 0.000 0.754) 1.964 3.765 ( 6.920 0.000 0.141) 6.921 4.045 ( -1.623 0.000 -0.575) 1.722 4.070 ( 1.273 0.000 -4.197) 4.386 4.298 ( 0.103 0.000 0.258) 0.278 4.586 ( -4.771 0.000 -0.551) 4.803 4.723 ( -2.187 0.000 2.460) 3.292 4.929 ( 3.997 0.000 0.763) 4.070 5.027 ( 1.511 0.000 -0.097) 1.514 5.443 ( -5.139 0.000 -0.323) 5.149 6.482 ( -0.224 0.000 -1.983) 1.995 7.831 ( 12.726 0.000 0.880) 12.757 7.933 ( -8.134 0.000 -0.735) 8.167 8.440 ( -8.329 0.000 -0.754) 8.363 8.749 ( 1.349 0.000 -0.699) 1.519 8.857 ( 1.213 0.000 2.519) 2.796 8.875 ( 0.741 0.000 -0.211) 0.770 9.142 ( -5.100 0.000 0.337) 5.112 9.542 ( -0.876 0.000 -0.335) 0.938 9.657 ( -1.073 0.000 0.038) 1.074 10.156 ( 6.986 0.000 1.037) 7.063 10.194 ( -1.678 0.000 0.279) 1.701 10.739 ( 2.654 0.000 -0.578) 2.716 10.774 ( -2.852 0.000 -0.355) 2.874 10.848 ( 0.871 0.000 -0.075) 0.874 10.985 ( 2.132 0.000 0.011) 2.132 11.095 ( -0.846 0.000 -0.543) 1.005 13.571 ( -0.472 0.000 -1.934) 1.991 13.647 ( -2.105 0.000 -0.236) 2.118 ======================= Grid point 71 (29/116) ======================= q-point: ( 0.00 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 6.24e-05 6.24e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.536 ( 3.016 16.451 8.747) 18.874 0.687 ( 7.127 11.829 19.265) 23.703 1.119 ( -8.541 28.797 18.831) 35.452 1.814 ( -1.554 1.001 -6.303) 6.568 2.049 ( 4.055 6.154 -6.600) 9.894 2.163 ( 5.336 -1.579 4.157) 6.946 2.167 ( -0.659 0.491 -1.164) 1.425 2.357 ( 0.507 1.806 -1.001) 2.126 2.666 ( -3.848 -5.738 -0.081) 6.909 2.728 ( 1.177 -0.908 2.462) 2.876 3.000 ( 4.157 -5.610 -2.197) 7.320 3.088 ( 0.558 0.955 0.079) 1.109 3.238 ( -1.140 -4.242 0.730) 4.453 3.328 ( -1.192 0.430 0.951) 1.584 3.728 ( -1.064 -8.350 -0.657) 8.443 4.014 ( 1.535 0.773 -1.219) 2.107 4.197 ( -0.123 5.986 -0.161) 5.990 4.252 ( -1.211 -1.045 2.597) 3.050 4.366 ( 0.567 2.704 0.767) 2.867 4.669 ( -3.348 -3.725 -0.806) 5.072 4.992 ( -0.198 -3.949 -0.089) 3.955 5.178 ( -0.483 14.312 -1.804) 14.433 5.312 ( -0.259 -7.016 0.101) 7.021 6.379 ( -2.623 -3.044 -4.416) 5.971 7.845 ( -0.070 0.881 -0.919) 1.275 8.064 ( -1.155 5.720 -0.374) 5.848 8.330 ( 0.736 -0.713 -0.619) 1.197 8.750 ( 0.410 -3.624 0.184) 3.652 8.812 ( -0.616 0.138 0.868) 1.073 8.955 ( 0.371 4.630 0.208) 4.650 9.120 ( -0.032 2.640 0.578) 2.703 9.540 ( 2.513 -4.972 1.925) 5.894 9.616 ( -0.308 -2.418 -0.290) 2.455 10.124 ( 0.111 -5.046 0.245) 5.053 10.306 ( 0.217 4.304 0.726) 4.370 10.702 ( 0.197 -1.778 0.138) 1.794 10.772 ( 0.272 0.831 -0.200) 0.897 10.877 ( 0.185 -1.415 -1.273) 1.913 11.003 ( -0.668 0.718 -0.780) 1.253 11.069 ( 0.312 -1.177 0.243) 1.241 13.585 ( 1.341 -0.542 0.412) 1.504 13.663 ( 3.266 -2.362 2.590) 4.791 ======================= Grid point 72 (30/116) ======================= q-point: ( 0.12 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 6.24e-05 6.24e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.731 ( 9.338 14.416 8.670) 19.240 0.923 ( 7.282 17.424 12.568) 22.684 1.358 ( 16.028 14.929 16.836) 27.626 1.801 ( 3.598 -1.548 -4.147) 5.704 2.057 ( 2.578 4.701 -5.517) 7.692 2.136 ( -1.267 1.110 -2.288) 2.841 2.286 ( 2.855 -1.298 2.753) 4.173 2.388 ( 4.037 1.915 -1.627) 4.755 2.613 ( -1.934 -4.266 0.213) 4.689 2.752 ( 0.463 -0.707 1.508) 1.728 3.028 ( 0.853 -1.390 -2.282) 2.805 3.069 ( -3.203 1.935 0.652) 3.798 3.203 ( -4.458 2.154 3.303) 5.952 3.304 ( 1.161 -6.513 0.823) 6.667 3.655 ( -4.891 -6.261 -1.115) 8.023 4.088 ( 6.126 -1.364 -2.092) 6.615 4.182 ( -0.736 4.111 2.897) 5.082 4.301 ( 3.327 4.173 -0.705) 5.383 4.414 ( 3.565 -0.220 0.794) 3.659 4.623 ( -1.465 -4.788 1.141) 5.135 4.903 ( -8.362 -3.688 -1.213) 9.219 5.169 ( 0.733 13.928 -1.623) 14.042 5.363 ( 5.202 -7.169 -0.027) 8.858 6.281 ( -3.435 -2.544 -5.841) 7.238 7.813 ( -8.492 0.945 -0.260) 8.548 7.974 ( 1.686 3.507 -0.808) 3.974 8.448 ( 8.337 0.753 -0.683) 8.399 8.751 ( -0.524 -4.165 0.727) 4.261 8.819 ( 0.696 1.929 0.619) 2.142 8.954 ( -0.796 4.160 0.461) 4.261 9.171 ( 5.080 2.981 0.434) 5.906 9.580 ( 0.716 -5.256 0.604) 5.339 9.615 ( 0.407 -2.509 -0.365) 2.568 10.149 ( 2.243 -4.833 0.323) 5.337 10.238 ( -6.743 4.111 1.461) 8.031 10.709 ( -1.970 -0.290 -0.755) 2.129 10.790 ( 1.924 -0.424 0.221) 1.982 10.857 ( -0.739 -1.906 -0.068) 2.046 10.971 ( -1.692 0.711 -0.292) 1.859 11.081 ( 0.635 -1.135 0.048) 1.302 13.601 ( 0.245 -0.430 0.586) 0.767 13.734 ( 1.950 -4.008 0.580) 4.495 ======================= Grid point 73 (31/116) ======================= q-point: ( 0.25 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 6.24e-05 6.24e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.985 ( 10.907 9.075 9.025) 16.815 1.182 ( 11.963 15.277 6.702) 20.528 1.748 ( 11.780 2.735 2.068) 12.269 1.914 ( 13.191 4.057 0.869) 13.828 2.076 ( -3.227 -0.253 -1.587) 3.605 2.088 ( 4.118 4.450 -3.586) 7.044 2.276 ( -5.476 0.043 2.502) 6.021 2.476 ( 6.464 1.675 -2.786) 7.235 2.603 ( 1.075 -1.892 -1.673) 2.745 2.763 ( -1.992 4.949 1.652) 5.585 2.968 ( -4.953 2.514 -0.390) 5.568 3.025 ( -0.216 -1.322 -0.701) 1.512 3.168 ( -1.869 -0.730 4.081) 4.548 3.384 ( 5.199 -7.896 1.226) 9.533 3.559 ( -3.837 -4.781 -0.646) 6.164 4.156 ( 2.842 2.606 -3.367) 5.120 4.186 ( -5.016 1.197 3.171) 6.054 4.353 ( 2.933 3.489 1.131) 4.696 4.472 ( 1.222 -0.794 -0.893) 1.709 4.621 ( -0.275 -6.030 1.956) 6.345 4.736 ( -4.633 -5.527 -1.466) 7.359 5.176 ( 1.197 14.460 -1.495) 14.586 5.480 ( 6.731 -8.089 -0.339) 10.529 6.193 ( -1.721 -2.008 -3.720) 4.564 7.590 ( -12.416 3.356 0.360) 12.866 8.090 ( 8.477 -0.410 -1.188) 8.569 8.582 ( 6.232 1.029 -0.963) 6.389 8.743 ( -1.049 -2.491 1.355) 3.024 8.841 ( 1.192 2.744 0.049) 2.992 8.931 ( -1.939 3.659 0.722) 4.204 9.305 ( 8.151 2.708 0.305) 8.595 9.589 ( 0.296 -4.382 -0.232) 4.398 9.624 ( 0.776 -2.499 -0.353) 2.640 10.110 ( -7.341 4.047 1.403) 8.499 10.210 ( 3.757 -4.283 0.446) 5.714 10.626 ( -5.633 -0.588 -0.844) 5.726 10.762 ( -3.699 0.405 -0.219) 3.728 10.863 ( -1.264 -3.309 0.155) 3.546 10.974 ( 2.712 0.981 0.216) 2.892 11.094 ( 0.729 -1.190 -0.015) 1.395 13.606 ( -0.037 -0.422 0.136) 0.445 13.751 ( 0.044 -2.842 -0.091) 2.844 ======================= Grid point 74 (32/116) ======================= q-point: ( 0.38 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 6.24e-05 6.24e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.251 ( 10.946 4.644 5.829) 13.242 1.414 ( 6.954 11.242 4.046) 13.825 1.863 ( 4.645 -1.902 -1.994) 5.401 1.979 ( -5.145 -0.908 -3.704) 6.404 2.082 ( -6.643 0.087 -0.499) 6.662 2.136 ( 8.324 6.062 -3.214) 10.787 2.333 ( 12.340 4.219 2.266) 13.236 2.496 ( -7.650 3.212 -0.953) 8.352 2.616 ( 5.628 4.046 -5.282) 8.715 2.728 ( 0.584 5.769 -0.747) 5.846 2.922 ( -1.174 -0.454 0.763) 1.472 3.046 ( 2.727 -1.895 0.379) 3.342 3.184 ( 1.153 0.090 3.570) 3.752 3.445 ( -1.473 -9.600 3.071) 10.186 3.546 ( 3.119 -4.432 -0.572) 5.450 3.924 ( -21.254 3.964 1.029) 21.645 4.169 ( 1.160 4.231 -2.807) 5.208 4.436 ( 3.209 3.053 -0.411) 4.448 4.467 ( 0.949 -1.200 -0.876) 1.763 4.642 ( 0.472 -5.689 3.527) 6.710 4.743 ( 3.256 -8.749 -0.618) 9.356 5.194 ( 1.487 14.933 -0.647) 15.020 5.588 ( 4.542 -9.581 -0.542) 10.617 6.174 ( 0.965 -1.931 0.383) 2.192 7.396 ( -7.957 4.805 0.517) 9.310 8.234 ( 6.973 -3.111 -0.440) 7.648 8.655 ( 1.518 -0.392 -0.397) 1.618 8.745 ( 1.073 1.292 0.505) 1.753 8.854 ( -0.273 2.831 -0.085) 2.845 8.902 ( -1.270 3.752 0.428) 3.984 9.448 ( 6.118 2.324 0.108) 6.546 9.592 ( 0.344 -4.079 -0.764) 4.164 9.640 ( 1.110 -2.359 -0.129) 2.610 9.994 ( -5.468 4.080 0.703) 6.858 10.295 ( 4.854 -3.228 0.386) 5.842 10.503 ( -6.502 -1.659 -0.505) 6.729 10.689 ( -3.366 0.785 -0.129) 3.459 10.825 ( -2.031 -2.333 0.182) 3.099 11.029 ( 2.286 -0.127 -0.423) 2.328 11.106 ( 0.506 -1.230 -0.117) 1.335 13.603 ( -0.088 -0.455 -0.343) 0.576 13.744 ( -0.406 -2.265 -0.508) 2.356 ======================= Grid point 75 (33/116) ======================= q-point: (-0.50 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 6.24e-05 6.24e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.391 ( -5.258 1.639 1.034) 5.603 1.462 ( -1.943 8.156 3.368) 9.035 1.805 ( -4.271 -0.170 -9.640) 10.545 1.946 ( 4.542 -0.089 0.187) 4.546 2.015 ( -0.730 -1.471 2.255) 2.790 2.281 ( -0.618 1.550 -0.333) 1.701 2.327 ( 3.352 11.394 -2.858) 12.216 2.488 ( 2.126 3.174 -1.696) 4.180 2.657 ( -2.099 7.083 2.211) 7.712 2.744 ( 4.933 0.397 -10.720) 11.807 2.918 ( 0.029 -0.675 1.266) 1.435 3.073 ( -2.258 -1.053 0.374) 2.520 3.228 ( -6.485 4.617 3.617) 8.744 3.422 ( -2.178 -8.920 2.810) 9.603 3.565 ( 1.438 -4.070 -0.020) 4.316 3.667 ( 0.306 1.418 1.350) 1.982 4.163 ( 0.532 4.210 -3.196) 5.312 4.416 ( -0.974 2.508 -4.540) 5.278 4.510 ( -0.074 -2.480 2.869) 3.793 4.678 ( 0.442 -4.052 3.709) 5.510 4.786 ( 0.997 -8.985 0.043) 9.041 5.218 ( 0.949 15.383 0.401) 15.418 5.630 ( 0.204 -10.438 -0.643) 10.460 6.227 ( 2.767 -2.167 3.862) 5.222 7.319 ( -0.177 5.385 0.508) 5.412 8.325 ( 1.648 -5.128 1.228) 5.524 8.648 ( -0.872 0.216 -0.335) 0.959 8.782 ( 2.252 1.996 -0.438) 3.041 8.826 ( -2.495 3.758 0.282) 4.520 8.888 ( -0.521 3.413 -0.617) 3.507 9.508 ( -0.115 2.107 -0.044) 2.111 9.587 ( -0.099 -3.953 -1.207) 4.135 9.657 ( 0.341 -2.209 0.348) 2.262 9.931 ( -1.007 4.171 -0.255) 4.298 10.374 ( -3.089 -0.107 -0.558) 3.141 10.409 ( 3.263 -4.863 0.651) 5.892 10.653 ( 0.034 1.032 -0.146) 1.043 10.806 ( 0.082 -2.247 0.372) 2.279 11.042 ( -0.398 -0.283 -1.107) 1.210 11.110 ( 0.011 -1.259 -0.210) 1.276 13.599 ( -0.045 -0.469 -0.598) 0.761 13.730 ( -0.471 -2.124 -1.057) 2.419 ======================= Grid point 76 (34/116) ======================= q-point: (-0.38 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 6.24e-05 6.24e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.140 ( -18.092 2.216 -0.000) 18.227 1.265 ( -16.506 7.839 -4.801) 18.893 1.810 ( 6.073 -0.783 -2.891) 6.771 2.003 ( -0.461 1.000 -0.558) 1.234 2.043 ( 2.670 0.473 -0.666) 2.792 2.176 ( -2.359 5.468 -0.611) 5.986 2.334 ( -19.258 12.220 3.177) 23.028 2.519 ( 3.309 1.398 -0.959) 3.718 2.585 ( 4.637 6.872 -4.517) 9.441 2.789 ( 6.043 1.225 -6.134) 8.698 2.890 ( -7.187 -0.369 1.526) 7.357 2.966 ( -2.380 1.260 2.272) 3.524 3.131 ( -2.095 -1.614 0.711) 2.739 3.436 ( 0.527 -9.662 2.067) 9.895 3.565 ( -2.999 -4.385 0.285) 5.320 3.879 ( 15.077 2.794 -0.000) 15.334 4.150 ( 1.161 4.396 -3.824) 5.941 4.362 ( -1.337 3.272 -3.205) 4.771 4.490 ( -3.705 -5.796 2.650) 7.371 4.712 ( 0.654 -2.156 3.250) 3.955 4.779 ( -1.613 -8.301 0.862) 8.500 5.229 ( -0.216 15.850 0.675) 15.866 5.587 ( -4.073 -9.773 -0.557) 10.602 6.319 ( 3.307 -2.589 4.923) 6.472 7.398 ( 7.856 4.613 0.625) 9.132 8.289 ( -6.447 -3.698 1.425) 7.567 8.646 ( 0.878 -0.503 -0.402) 1.089 8.756 ( -4.561 1.929 0.478) 4.975 8.826 ( 2.080 3.146 -0.707) 3.837 8.873 ( -0.194 3.343 -0.815) 3.447 9.442 ( -6.414 2.347 -0.077) 6.831 9.569 ( -0.768 -3.769 -1.573) 4.155 9.658 ( -0.584 -2.769 0.788) 2.937 9.957 ( 4.069 4.576 -0.827) 6.179 10.278 ( -4.830 -3.002 -0.247) 5.693 10.527 ( 6.735 -2.139 0.285) 7.073 10.689 ( 3.607 1.012 -0.120) 3.748 10.831 ( 1.910 -2.746 0.423) 3.371 11.002 ( -2.659 0.199 -1.255) 2.947 11.104 ( -0.408 -1.296 -0.201) 1.374 13.593 ( -0.093 -0.431 -0.737) 0.858 13.710 ( -0.684 -2.134 -1.728) 2.829 ======================= Grid point 77 (35/116) ======================= q-point: (-0.25 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 6.24e-05 6.24e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.773 ( -18.307 7.838 -3.372) 20.198 0.899 ( -18.985 7.859 -0.025) 20.547 1.765 ( -22.907 15.291 8.634) 28.864 1.930 ( -3.278 5.482 -0.462) 6.404 2.000 ( 2.019 2.394 -5.138) 6.018 2.138 ( -0.617 1.612 -0.728) 1.874 2.175 ( 0.615 2.504 0.638) 2.656 2.423 ( -3.439 1.099 -5.109) 6.256 2.721 ( 0.239 0.343 1.539) 1.594 2.774 ( 0.223 -0.820 -1.709) 1.909 2.886 ( 2.676 -2.143 -2.108) 4.025 2.974 ( 2.952 1.922 0.404) 3.546 3.139 ( 2.729 2.195 1.772) 3.925 3.392 ( -6.652 -7.214 1.519) 9.929 3.573 ( 4.754 -4.719 -0.003) 6.698 4.044 ( 2.557 0.536 -1.263) 2.902 4.162 ( 2.413 6.077 -4.549) 7.965 4.340 ( -0.373 4.338 0.423) 4.374 4.435 ( -3.332 -9.812 1.934) 10.542 4.721 ( -2.231 -5.024 3.045) 6.284 4.809 ( 5.419 -3.113 0.952) 6.322 5.221 ( -0.862 15.831 0.149) 15.856 5.482 ( -6.299 -8.306 -0.330) 10.430 6.406 ( 2.425 -3.327 2.954) 5.067 7.602 ( 12.626 3.137 0.775) 13.033 8.133 ( -9.610 -0.021 0.217) 9.613 8.607 ( -6.470 0.613 -0.135) 6.501 8.709 ( 0.852 -1.085 -0.217) 1.397 8.834 ( -0.728 1.079 0.387) 1.358 8.895 ( 2.594 4.046 -0.567) 4.839 9.297 ( -8.244 2.535 0.062) 8.625 9.538 ( -1.271 -3.619 -1.738) 4.212 9.647 ( -1.058 -2.809 0.608) 3.063 10.063 ( 7.420 4.644 -0.360) 8.761 10.196 ( -3.673 -4.049 -0.046) 5.467 10.648 ( 5.722 -1.143 -0.044) 5.835 10.767 ( 4.125 0.838 -0.149) 4.212 10.852 ( -1.102 -3.617 -0.307) 3.794 10.954 ( -0.249 1.088 -0.270) 1.148 11.093 ( -0.550 -1.314 -0.144) 1.432 13.584 ( -0.195 -0.352 -1.032) 1.107 13.677 ( -1.506 -1.960 -1.993) 3.175 ======================= Grid point 78 (36/116) ======================= q-point: (-0.12 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 6.24e-05 6.24e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.507 ( -7.833 13.572 7.777) 17.494 0.609 ( -12.684 12.703 7.829) 19.584 1.347 ( -25.182 25.982 14.048) 38.814 1.906 ( 0.169 6.456 -5.615) 8.558 2.005 ( -0.440 2.565 -0.626) 2.677 2.099 ( 0.398 -2.268 -2.118) 3.129 2.186 ( 0.094 2.194 -0.480) 2.248 2.371 ( -0.330 1.611 -2.299) 2.826 2.690 ( -1.365 1.081 4.250) 4.592 2.758 ( -4.331 -7.160 -0.794) 8.405 2.913 ( 5.958 -6.307 -4.071) 9.584 3.053 ( 3.130 2.116 0.133) 3.780 3.243 ( 3.416 7.532 2.563) 8.659 3.295 ( -1.845 -6.083 0.568) 6.382 3.681 ( 5.484 -7.103 -0.184) 8.975 4.036 ( -1.572 0.065 -0.567) 1.673 4.167 ( 2.189 7.493 -3.232) 8.449 4.312 ( -4.148 -2.364 3.254) 5.778 4.387 ( -2.889 -3.870 0.705) 4.881 4.711 ( -1.046 -4.591 1.669) 4.995 4.935 ( 5.872 -3.324 -0.205) 6.751 5.202 ( -0.830 15.343 -0.892) 15.392 5.368 ( -5.112 -7.549 -0.114) 9.118 6.434 ( -0.496 -3.867 -1.208) 4.081 7.834 ( 8.118 0.763 0.043) 8.154 7.992 ( -1.868 4.261 -0.186) 4.656 8.452 ( -8.881 0.742 -0.713) 8.941 8.733 ( 1.272 -2.675 -0.137) 2.965 8.823 ( -0.970 -0.198 1.042) 1.438 8.936 ( 1.724 4.278 -0.062) 4.612 9.165 ( -5.223 2.622 0.426) 5.860 9.507 ( -0.542 -3.062 -0.143) 3.113 9.630 ( -0.950 -2.557 0.082) 2.729 10.141 ( -1.925 -4.596 0.093) 4.984 10.214 ( 7.506 4.213 0.480) 8.621 10.723 ( 1.273 -0.909 -0.260) 1.586 10.772 ( -2.297 -0.545 -0.311) 2.381 10.854 ( 2.804 -1.064 -0.768) 3.096 10.985 ( 2.254 0.330 0.079) 2.280 11.079 ( -0.862 -1.250 -0.283) 1.545 13.569 ( -0.161 -0.047 -1.400) 1.410 13.637 ( -1.396 -0.817 0.642) 1.741 ======================= Grid point 79 (37/116) ======================= q-point: ( 0.00 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 6.24e-05 6.24e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.927 ( 5.449 16.890 7.820) 19.394 1.014 ( 5.485 20.765 5.194) 22.096 1.681 ( -6.819 15.473 7.809) 18.625 1.789 ( -2.301 1.673 -4.084) 4.977 2.122 ( 2.638 0.410 1.836) 3.240 2.158 ( 1.774 -3.078 -5.110) 6.224 2.242 ( 4.118 9.347 -2.077) 10.423 2.362 ( -2.233 -2.452 0.915) 3.440 2.541 ( -0.882 -1.505 -1.143) 2.085 2.777 ( -0.829 3.963 3.402) 5.288 2.881 ( 5.312 -5.003 -2.650) 7.764 2.966 ( -0.986 -10.653 1.128) 10.757 3.155 ( -0.112 -2.911 -0.361) 2.936 3.470 ( -0.592 -11.690 -0.197) 11.707 3.539 ( -2.094 12.372 2.242) 12.747 4.037 ( -0.661 1.348 -0.940) 1.772 4.171 ( -0.047 -2.522 3.946) 4.683 4.389 ( 3.217 8.052 -1.524) 8.803 4.453 ( -0.252 5.289 -0.450) 5.315 4.620 ( -1.977 -0.796 0.112) 2.134 4.880 ( -0.415 -6.415 -0.476) 6.446 5.044 ( -0.428 -16.019 0.226) 16.026 5.523 ( -0.294 15.735 -2.523) 15.939 6.278 ( -1.923 -6.583 -4.439) 8.170 7.903 ( -0.389 4.613 -0.982) 4.733 8.190 ( -2.840 6.037 -0.090) 6.672 8.290 ( 2.315 -3.243 -0.450) 4.009 8.624 ( 0.014 -7.247 0.580) 7.270 8.870 ( 0.485 4.360 0.085) 4.387 9.054 ( 0.324 4.033 0.232) 4.053 9.228 ( 0.357 6.930 0.726) 6.977 9.442 ( 0.820 -3.165 0.507) 3.308 9.541 ( -0.268 -4.623 -0.201) 4.635 9.974 ( 0.077 -8.888 0.098) 8.888 10.416 ( 0.208 6.059 0.773) 6.111 10.673 ( 0.366 -0.771 0.235) 0.885 10.763 ( 0.371 -1.903 -0.234) 1.953 10.812 ( -0.095 -4.050 -0.560) 4.089 11.020 ( -0.335 0.671 -0.566) 0.940 11.043 ( 0.281 -1.032 0.326) 1.118 13.579 ( 0.880 0.044 0.160) 0.896 13.627 ( 0.778 -1.319 1.833) 2.389 ======================= Grid point 80 (38/116) ======================= q-point: ( 0.12 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 6.24e-05 6.24e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.106 ( 7.416 19.020 4.025) 20.808 1.210 ( 7.762 12.351 12.489) 19.204 1.692 ( 2.671 2.858 0.174) 3.915 1.827 ( 9.020 12.140 1.109) 15.165 2.100 ( -0.240 -0.691 -4.677) 4.734 2.187 ( -0.068 1.305 -1.790) 2.216 2.338 ( 4.623 7.018 0.597) 8.425 2.372 ( 4.103 -4.111 0.235) 5.812 2.549 ( 2.399 1.427 -1.737) 3.287 2.770 ( -0.818 1.549 3.254) 3.695 2.964 ( 3.220 -10.772 -0.404) 11.250 2.972 ( 1.158 -3.509 0.887) 3.800 3.156 ( 0.073 -4.174 0.987) 4.290 3.417 ( -6.356 6.573 0.151) 9.145 3.477 ( -3.770 -3.029 0.828) 4.906 4.053 ( 3.416 -1.624 -1.209) 3.971 4.216 ( 1.289 0.112 3.980) 4.185 4.432 ( 2.080 5.347 -2.225) 6.153 4.438 ( -0.400 3.867 0.330) 3.902 4.570 ( -2.514 -0.371 1.289) 2.849 4.808 ( -6.743 -4.919 -1.457) 8.473 5.101 ( 5.508 -15.033 -0.187) 16.012 5.507 ( 0.591 15.075 -2.707) 15.328 6.197 ( -2.476 -5.559 -5.594) 8.266 7.863 ( -5.924 3.777 -0.457) 7.041 8.043 ( -3.434 2.338 -0.769) 4.225 8.460 ( 9.530 0.240 -0.455) 9.544 8.638 ( 1.099 -5.999 0.688) 6.138 8.891 ( 1.532 4.590 0.318) 4.849 9.049 ( -1.025 4.357 0.461) 4.500 9.281 ( 4.569 6.511 0.518) 7.971 9.466 ( 1.158 -4.087 0.347) 4.262 9.539 ( 0.317 -4.530 -0.307) 4.551 10.003 ( 2.841 -8.684 0.175) 9.139 10.347 ( -6.523 5.972 0.974) 8.898 10.697 ( -2.253 -1.143 -0.843) 2.663 10.759 ( 2.098 -2.856 0.860) 3.647 10.803 ( -0.956 -2.194 -0.430) 2.432 10.994 ( -1.401 1.130 -0.068) 1.801 11.053 ( 0.379 -1.338 0.166) 1.400 13.594 ( 0.328 -0.162 0.397) 0.539 13.663 ( 1.267 -2.626 1.462) 3.262 ======================= Grid point 81 (39/116) ======================= q-point: ( 0.25 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 6.24e-05 6.24e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.261 ( 5.493 16.055 6.588) 18.203 1.446 ( 8.583 9.163 8.498) 15.160 1.747 ( 4.132 -1.899 -1.986) 4.962 2.046 ( 2.784 3.915 -1.373) 4.996 2.095 ( 8.301 2.741 -2.524) 9.099 2.138 ( -1.628 -2.103 -1.727) 3.171 2.383 ( 1.642 11.492 -1.130) 11.664 2.488 ( 6.605 -0.695 0.134) 6.643 2.604 ( 5.881 2.980 -4.062) 7.744 2.832 ( 3.972 2.184 3.181) 5.537 2.963 ( -0.951 -5.650 1.890) 6.033 3.025 ( 0.871 -2.402 -0.304) 2.573 3.172 ( -0.028 -9.577 2.177) 9.821 3.263 ( -7.985 14.249 2.110) 16.470 3.430 ( -1.272 -7.437 -0.973) 7.607 4.131 ( 4.845 -3.733 -2.238) 6.513 4.246 ( -2.026 2.779 3.898) 5.198 4.421 ( -0.064 -2.332 -0.554) 2.397 4.469 ( 1.514 4.844 -0.802) 5.138 4.565 ( -0.183 0.646 3.834) 3.892 4.633 ( -7.748 -2.775 -3.413) 8.909 5.206 ( 5.229 -15.517 -0.443) 16.380 5.505 ( 1.113 14.159 -2.281) 14.385 6.125 ( -1.150 -4.569 -3.812) 6.061 7.690 ( -9.914 5.966 0.287) 11.574 8.064 ( 3.747 -2.397 -0.799) 4.519 8.600 ( 5.422 0.535 -0.526) 5.474 8.681 ( 3.190 -2.869 0.696) 4.347 8.926 ( 1.846 4.921 -0.021) 5.256 9.026 ( -1.669 4.927 0.541) 5.230 9.391 ( 6.175 3.197 0.149) 6.955 9.488 ( 1.135 -3.051 -0.194) 3.261 9.551 ( 1.399 -3.411 -0.228) 3.694 10.078 ( 4.750 -8.085 0.287) 9.381 10.223 ( -6.903 6.380 0.835) 9.437 10.598 ( -6.446 -2.462 -0.709) 6.937 10.762 ( -3.000 -0.487 -0.287) 3.053 10.793 ( -0.317 -2.646 0.381) 2.692 10.991 ( 1.319 0.723 0.173) 1.514 11.062 ( 0.597 -1.641 0.049) 1.747 13.598 ( -0.073 -0.192 0.118) 0.237 13.685 ( 0.310 -3.012 0.586) 3.084 ======================= Grid point 82 (40/116) ======================= q-point: ( 0.38 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 6.24e-05 6.24e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.411 ( 5.586 10.083 5.201) 12.646 1.601 ( 1.832 5.295 3.278) 6.491 1.826 ( 4.396 -2.278 0.375) 4.966 1.976 ( -3.367 2.070 -2.590) 4.725 2.086 ( -5.693 0.131 0.837) 5.755 2.211 ( 6.675 0.305 -3.944) 7.759 2.479 ( 7.489 8.103 -2.651) 11.348 2.573 ( 1.611 3.634 0.155) 3.978 2.695 ( 6.631 3.287 -5.940) 9.490 2.875 ( -1.687 0.331 0.942) 1.960 2.955 ( -5.478 6.957 -1.127) 8.927 2.999 ( 2.667 -2.548 1.169) 3.870 3.174 ( -0.059 -12.230 1.347) 12.304 3.283 ( 7.155 11.100 6.023) 14.515 3.421 ( 1.045 -7.259 -1.455) 7.477 4.031 ( -16.268 5.858 0.603) 17.301 4.249 ( 1.840 2.474 -1.169) 3.297 4.409 ( -0.483 -2.421 -0.198) 2.477 4.494 ( 2.642 -7.633 -0.436) 8.089 4.551 ( 0.197 1.458 -1.670) 2.225 4.617 ( 1.825 1.396 3.311) 4.030 5.278 ( 2.633 -18.010 -0.419) 18.207 5.517 ( 1.398 13.769 -1.108) 13.884 6.109 ( 1.023 -4.338 -0.191) 4.462 7.538 ( -6.115 8.356 0.396) 10.363 8.129 ( 3.062 -6.853 0.056) 7.507 8.661 ( 1.880 1.126 -0.052) 2.192 8.753 ( 3.340 -0.260 0.255) 3.360 8.953 ( 1.120 5.529 -0.621) 5.675 8.998 ( -1.499 5.233 0.194) 5.447 9.471 ( 1.996 -5.036 -0.760) 5.470 9.511 ( 1.244 -1.752 -0.024) 2.149 9.604 ( 4.145 2.780 0.039) 4.991 10.109 ( -5.162 6.141 0.328) 8.029 10.181 ( 5.564 -7.098 0.299) 9.024 10.464 ( -7.010 -2.371 -0.516) 7.418 10.700 ( -2.874 0.265 -0.173) 2.891 10.767 ( -1.797 -2.664 0.178) 3.218 11.025 ( 1.623 -0.178 -0.348) 1.669 11.073 ( 0.492 -1.666 -0.132) 1.742 13.594 ( -0.171 -0.238 -0.262) 0.393 13.686 ( -0.300 -2.936 -0.131) 2.954 ======================= Grid point 83 (41/116) ======================= q-point: (-0.50 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 6.24e-05 6.24e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.454 ( -7.061 4.515 0.365) 8.389 1.615 ( 0.710 5.278 3.772) 6.526 1.786 ( -6.490 -1.451 -5.971) 8.937 1.976 ( 1.699 1.115 1.804) 2.718 2.022 ( 1.805 3.995 -0.564) 4.420 2.318 ( 3.890 1.402 -0.102) 4.136 2.508 ( 0.183 3.879 -3.277) 5.081 2.607 ( 2.418 7.778 -0.269) 8.150 2.734 ( 0.671 -1.169 -5.763) 5.918 2.838 ( -0.127 7.040 -0.424) 7.054 2.903 ( -0.212 0.563 -0.170) 0.625 3.021 ( -0.189 -3.593 -0.236) 3.606 3.176 ( -1.196 -12.790 2.691) 13.125 3.419 ( -2.443 -4.640 -0.803) 5.305 3.493 ( 0.369 16.865 2.807) 17.101 3.744 ( -1.946 5.734 0.658) 6.091 4.254 ( 0.216 3.766 -2.044) 4.291 4.390 ( -0.837 -2.842 -2.478) 3.862 4.519 ( -1.699 -8.653 0.257) 8.822 4.570 ( 2.230 0.588 0.635) 2.392 4.667 ( 0.861 0.893 3.176) 3.410 5.300 ( 0.126 -20.013 -0.532) 20.021 5.541 ( 1.377 14.316 0.348) 14.386 6.156 ( 2.607 -4.715 2.933) 6.135 7.479 ( -0.198 9.388 0.331) 9.396 8.171 ( 0.743 -9.158 1.069) 9.250 8.677 ( -0.157 2.331 -0.070) 2.337 8.793 ( 0.401 -0.023 0.444) 0.598 8.958 ( -0.116 6.966 -0.637) 6.996 8.972 ( -0.936 4.350 -1.040) 4.569 9.478 ( -0.027 -5.865 -1.286) 6.004 9.525 ( 0.158 -3.254 0.253) 3.267 9.656 ( 0.015 5.037 0.142) 5.039 10.048 ( -0.668 6.431 -0.406) 6.478 10.260 ( -0.800 -8.222 0.330) 8.267 10.371 ( 0.891 -1.262 -0.432) 1.604 10.670 ( 0.095 0.521 -0.144) 0.549 10.749 ( -0.033 -2.793 0.195) 2.800 11.034 ( -0.307 -0.378 -0.901) 1.024 11.076 ( -0.028 -1.700 -0.284) 1.724 13.589 ( -0.086 -0.290 -0.514) 0.597 13.675 ( -0.502 -2.812 -0.701) 2.941 ======================= Grid point 84 (42/116) ======================= q-point: (-0.38 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 6.24e-05 6.24e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.240 ( -13.152 7.517 -0.190) 15.150 1.460 ( -14.494 10.023 -4.962) 18.307 1.775 ( 5.367 -3.111 -0.096) 6.204 2.008 ( 1.068 -1.382 1.323) 2.191 2.092 ( 3.912 4.927 -0.260) 6.297 2.297 ( -3.500 5.273 -1.251) 6.451 2.523 ( 0.270 1.199 -2.515) 2.799 2.587 ( -9.871 6.563 1.632) 11.966 2.666 ( 3.095 0.186 -6.848) 7.518 2.864 ( -1.919 0.824 0.372) 2.121 2.895 ( 0.178 2.387 -1.245) 2.698 3.008 ( -2.461 0.352 1.028) 2.690 3.170 ( -1.153 -10.005 3.775) 10.755 3.231 ( -6.897 12.365 0.775) 14.180 3.450 ( -0.735 -5.040 -0.125) 5.095 3.968 ( 12.951 5.958 -0.818) 14.279 4.248 ( 1.635 4.094 -2.366) 5.004 4.341 ( -3.039 -4.390 -1.486) 5.542 4.469 ( -2.411 -1.247 0.023) 2.715 4.589 ( -0.983 -3.886 1.606) 4.318 4.702 ( 0.930 -0.067 2.517) 2.684 5.279 ( -1.954 -18.944 -0.530) 19.052 5.565 ( 0.449 15.246 0.816) 15.274 6.235 ( 2.923 -5.442 3.795) 7.250 7.538 ( 6.041 8.364 0.477) 10.328 8.167 ( -2.190 -7.814 1.412) 8.237 8.657 ( -1.746 1.530 -0.196) 2.330 8.766 ( -3.785 -0.353 0.660) 3.858 8.930 ( -1.542 5.271 -1.353) 5.656 8.969 ( 1.245 5.707 -0.918) 5.913 9.451 ( -2.116 -4.860 -1.443) 5.494 9.515 ( -1.658 -0.914 0.170) 1.901 9.609 ( -3.679 1.914 0.311) 4.159 10.082 ( 4.229 6.473 -0.702) 7.764 10.173 ( -5.622 -6.559 -0.044) 8.639 10.475 ( 7.389 -3.021 -0.152) 7.984 10.702 ( 3.168 0.219 -0.124) 3.178 10.767 ( 1.427 -2.856 0.155) 3.197 11.004 ( -1.836 0.086 -0.970) 2.079 11.069 ( -0.466 -1.834 -0.288) 1.914 13.584 ( -0.035 -0.286 -0.673) 0.732 13.657 ( -0.718 -2.565 -1.046) 2.862 ======================= Grid point 85 (43/116) ======================= q-point: (-0.25 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 6.24e-05 6.24e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.011 ( -9.650 14.852 -1.646) 17.788 1.147 ( -14.461 14.034 -2.146) 20.265 1.865 ( 2.044 -3.523 3.195) 5.177 2.026 ( 1.248 -2.815 -3.283) 4.501 2.130 ( -2.296 7.996 1.991) 8.554 2.199 ( -7.605 4.885 -0.213) 9.041 2.337 ( -9.616 10.023 -4.560) 14.619 2.466 ( -3.526 4.253 -0.306) 5.533 2.710 ( 2.140 -1.477 -2.768) 3.798 2.767 ( -7.025 -1.433 -1.004) 7.240 2.808 ( -3.591 0.987 1.250) 3.929 3.010 ( 0.406 -2.259 0.367) 2.325 3.175 ( -1.276 -11.242 1.297) 11.388 3.301 ( 8.742 12.752 2.191) 15.615 3.455 ( 1.396 -5.274 0.187) 5.459 4.080 ( 1.381 3.014 -1.872) 3.807 4.252 ( -5.674 -7.874 2.276) 9.968 4.294 ( 3.878 5.378 -3.746) 7.616 4.458 ( 0.473 5.999 -0.459) 6.035 4.592 ( 0.380 -5.288 2.905) 6.045 4.753 ( 3.698 -2.150 0.945) 4.381 5.215 ( -4.539 -16.422 -0.303) 17.041 5.566 ( -0.566 16.010 -0.010) 16.019 6.304 ( 1.819 -6.377 1.972) 6.918 7.700 ( 10.246 6.049 0.687) 11.919 8.112 ( -4.041 -2.518 0.819) 4.831 8.609 ( -4.197 -0.364 -0.127) 4.215 8.672 ( -5.160 -2.016 0.166) 5.543 8.894 ( -1.244 4.292 -0.985) 4.576 8.998 ( 2.144 5.223 -0.448) 5.664 9.366 ( -5.819 1.219 -0.715) 5.989 9.471 ( -2.106 0.054 -0.615) 2.194 9.567 ( -1.309 -3.952 0.417) 4.184 10.069 ( -4.634 -7.830 0.005) 9.098 10.190 ( 6.892 7.008 -0.396) 9.837 10.610 ( 6.765 -3.054 -0.288) 7.428 10.766 ( 2.903 -1.301 -0.159) 3.185 10.782 ( -0.456 -2.010 -0.111) 2.064 10.973 ( -0.210 0.768 -0.394) 0.888 11.058 ( -0.458 -1.879 -0.182) 1.943 13.578 ( -0.063 -0.163 -0.868) 0.885 13.634 ( -1.056 -1.921 -0.680) 2.296 ======================= Grid point 86 (44/116) ======================= q-point: (-0.12 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 6.24e-05 6.24e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.875 ( -3.781 19.899 0.876) 20.274 0.960 ( -4.327 18.905 3.501) 19.708 1.826 ( -10.469 6.229 5.249) 13.265 1.933 ( -11.225 6.096 -0.353) 12.778 2.041 ( 3.592 -1.495 -0.993) 4.015 2.150 ( 0.832 4.507 -0.969) 4.685 2.243 ( 0.162 5.079 -5.567) 7.537 2.410 ( -3.269 2.197 1.277) 4.140 2.608 ( -5.517 -3.593 -0.948) 6.651 2.752 ( 0.210 2.873 2.605) 3.883 2.811 ( 4.332 -2.068 -3.800) 6.122 2.995 ( -2.128 -8.320 0.861) 8.631 3.162 ( -0.477 -5.179 -0.036) 5.201 3.449 ( 3.822 -2.401 0.635) 4.558 3.503 ( 2.979 5.066 2.103) 6.242 4.066 ( -0.933 2.836 -1.453) 3.320 4.178 ( -3.822 -6.449 3.696) 8.358 4.338 ( 3.631 7.768 -2.843) 9.034 4.456 ( -0.139 5.657 -0.089) 5.659 4.623 ( 0.445 -3.462 1.867) 3.959 4.842 ( 4.358 -4.902 -0.211) 6.562 5.112 ( -5.730 -15.521 -0.011) 16.545 5.548 ( -0.696 16.076 -1.403) 16.152 6.321 ( -0.252 -6.930 -1.429) 7.081 7.883 ( 6.028 4.010 0.080) 7.240 8.075 ( 2.618 2.958 0.241) 3.957 8.458 ( -10.307 -0.189 -0.580) 10.325 8.627 ( -0.890 -6.253 0.442) 6.331 8.872 ( -0.540 4.096 -0.372) 4.148 9.034 ( 1.641 4.360 -0.073) 4.659 9.261 ( -4.213 5.444 0.219) 6.887 9.440 ( -0.729 -1.648 -0.308) 1.828 9.551 ( -0.729 -4.698 0.089) 4.755 9.999 ( -2.693 -8.548 0.051) 8.962 10.327 ( 7.102 6.268 0.301) 9.477 10.706 ( 1.587 -0.987 -0.459) 1.925 10.734 ( -1.253 -3.100 0.010) 3.343 10.809 ( 1.170 -2.350 -0.381) 2.653 10.996 ( 2.171 0.575 -0.031) 2.246 11.049 ( -0.444 -1.427 -0.139) 1.501 13.571 ( 0.140 0.190 -0.772) 0.807 13.616 ( -0.596 -1.058 0.823) 1.467 ======================= Grid point 87 (45/116) ======================= q-point: ( 0.00 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 6.24e-05 6.24e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.258 ( 1.328 14.986 6.068) 16.222 1.500 ( 7.564 22.975 -3.254) 24.406 1.553 ( -1.849 -12.082 1.057) 12.268 1.933 ( 6.581 -15.886 -6.348) 18.330 2.053 ( -3.003 7.841 2.430) 8.741 2.139 ( -0.542 -0.415 1.389) 1.547 2.325 ( -1.920 2.781 1.714) 3.789 2.416 ( 0.591 -1.545 1.328) 2.122 2.614 ( -0.447 8.321 -4.749) 9.591 2.738 ( -3.258 -4.869 -2.412) 6.336 2.839 ( 2.363 4.287 0.963) 4.989 2.933 ( 0.775 5.888 3.055) 6.678 3.048 ( 0.291 -7.827 0.331) 7.839 3.136 ( -0.263 -15.462 1.622) 15.549 3.877 ( -2.344 13.077 3.183) 13.661 4.030 ( -2.392 -3.313 2.326) 4.702 4.224 ( 2.571 11.452 -0.457) 11.746 4.533 ( 0.782 4.842 -0.278) 4.913 4.555 ( -0.708 -0.752 -1.597) 1.902 4.616 ( 7.591 -3.784 -0.100) 8.483 4.640 ( -7.328 -10.547 0.547) 12.854 4.751 ( -0.007 -7.539 -0.573) 7.560 5.839 ( -0.553 13.802 -3.433) 14.234 6.098 ( -1.148 -10.446 -4.133) 11.293 8.032 ( -0.954 7.111 -0.861) 7.226 8.181 ( -2.505 -6.362 -0.734) 6.876 8.325 ( 1.952 6.280 0.322) 6.584 8.467 ( 0.513 -7.173 0.491) 7.208 8.981 ( 0.680 5.798 0.205) 5.842 9.083 ( 0.548 -2.419 0.646) 2.564 9.325 ( 0.413 3.327 -0.117) 3.355 9.428 ( -0.049 -5.664 -0.223) 5.669 9.520 ( -0.012 10.083 -0.048) 10.083 9.758 ( 0.058 -11.255 -0.000) 11.255 10.554 ( 0.100 6.675 0.560) 6.699 10.671 ( 0.486 -0.916 0.856) 1.344 10.691 ( 0.059 -3.092 -0.712) 3.173 10.729 ( 0.115 -3.368 -0.273) 3.381 11.029 ( -0.022 0.156 -0.098) 0.186 11.031 ( 0.197 -0.174 0.230) 0.350 13.586 ( 0.490 0.569 0.420) 0.860 13.603 ( 0.369 -0.986 1.036) 1.477 ======================= Grid point 88 (46/116) ======================= q-point: ( 0.12 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 6.24e-05 6.24e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.395 ( 7.656 10.247 6.209) 14.219 1.561 ( 3.018 6.532 2.735) 7.698 1.621 ( 4.147 6.063 -1.375) 7.473 1.963 ( 1.039 -13.020 -4.628) 13.857 2.081 ( 4.454 7.604 0.880) 8.856 2.176 ( -0.320 -1.837 -0.630) 1.969 2.342 ( 5.299 5.032 3.009) 7.903 2.510 ( 7.500 -3.000 2.268) 8.390 2.615 ( 3.947 4.796 -5.388) 8.222 2.670 ( -1.123 -3.412 -2.974) 4.664 2.893 ( 2.262 4.619 0.705) 5.192 2.961 ( 0.032 3.299 3.352) 4.704 3.047 ( -1.250 -6.240 1.500) 6.538 3.159 ( 1.988 -14.258 0.641) 14.410 3.804 ( -7.178 15.478 2.220) 17.205 4.002 ( -1.765 -4.300 1.233) 4.809 4.268 ( 1.864 7.097 0.955) 7.399 4.459 ( -6.254 -3.961 -0.757) 7.442 4.550 ( 1.253 3.586 0.019) 3.799 4.577 ( -0.157 0.627 0.720) 0.968 4.712 ( -1.423 -3.310 -1.582) 3.935 4.773 ( 5.239 -11.928 -0.120) 13.028 5.806 ( -0.016 12.828 -4.048) 13.452 6.041 ( -1.161 -9.243 -5.031) 10.588 7.963 ( -5.856 5.146 -0.537) 7.815 8.049 ( -5.937 -2.141 -0.679) 6.348 8.469 ( 8.866 1.133 -0.109) 8.939 8.524 ( 4.663 -4.184 0.351) 6.275 9.005 ( 1.465 5.778 0.458) 5.978 9.098 ( 0.336 -1.372 0.807) 1.626 9.337 ( 0.862 1.431 -0.167) 1.678 9.422 ( -0.313 -5.243 -0.252) 5.258 9.556 ( 3.727 10.116 -0.048) 10.781 9.791 ( 3.383 -11.048 0.044) 11.555 10.483 ( -5.942 6.643 0.494) 8.927 10.619 ( -5.155 -5.854 -0.149) 7.802 10.733 ( 3.054 0.656 0.361) 3.145 10.762 ( 1.282 -1.819 -0.106) 2.228 11.014 ( -1.101 0.759 0.158) 1.347 11.030 ( -0.393 -0.848 0.222) 0.960 13.598 ( 0.271 0.593 0.576) 0.870 13.620 ( 0.489 -1.497 1.061) 1.899 ======================= Grid point 89 (47/116) ======================= q-point: ( 0.25 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 6.24e-05 6.24e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.590 ( 7.550 6.045 4.094) 10.503 1.627 ( -0.024 16.510 4.039) 16.997 1.686 ( 4.292 -3.739 0.747) 5.741 1.952 ( 0.164 -12.715 -0.824) 12.742 2.126 ( -0.383 3.866 -3.063) 4.947 2.163 ( 2.724 0.818 -2.059) 3.512 2.520 ( 8.616 4.954 2.887) 10.349 2.621 ( 3.013 7.909 -4.183) 9.441 2.678 ( 5.392 1.531 -3.995) 6.883 2.719 ( 7.192 -12.052 2.540) 14.263 2.908 ( -1.468 3.449 1.909) 4.206 2.988 ( -0.196 -1.454 0.015) 1.467 3.044 ( 1.055 -0.116 2.897) 3.085 3.213 ( 3.312 -11.118 -1.043) 11.648 3.678 ( -5.804 19.502 1.456) 20.399 3.993 ( 0.841 -10.000 0.095) 10.036 4.307 ( 0.997 3.669 1.770) 4.193 4.375 ( -1.967 -1.993 -0.610) 2.866 4.565 ( -2.661 3.900 2.047) 5.146 4.599 ( 1.258 1.085 -0.405) 1.710 4.633 ( -2.581 2.969 -1.654) 4.268 4.843 ( 1.760 -16.391 -0.187) 16.487 5.785 ( 0.598 11.715 -3.253) 12.173 5.994 ( -0.282 -7.978 -3.722) 8.808 7.833 ( -6.623 7.219 0.163) 9.798 7.977 ( -2.174 -5.823 -0.212) 6.219 8.610 ( 5.907 0.646 -0.223) 5.947 8.633 ( 6.465 -1.629 -0.001) 6.667 9.038 ( 1.685 5.298 0.122) 5.561 9.104 ( -0.176 0.729 0.533) 0.920 9.354 ( 1.140 -0.977 -0.496) 1.581 9.416 ( -0.083 -5.129 -0.233) 5.135 9.650 ( 6.021 10.215 0.022) 11.857 9.877 ( 5.504 -10.531 0.123) 11.884 10.368 ( -6.346 7.035 0.325) 9.480 10.508 ( -6.305 -5.841 -0.218) 8.597 10.751 ( -1.630 -0.082 0.015) 1.632 10.760 ( -1.167 -0.861 0.028) 1.450 11.007 ( 0.528 0.857 0.174) 1.022 11.030 ( 0.426 -1.321 0.127) 1.394 13.603 ( -0.111 0.740 0.298) 0.806 13.631 ( 0.044 -1.981 0.576) 2.063 ======================= Grid point 90 (48/116) ======================= q-point: ( 0.38 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 6.24e-05 6.24e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.631 ( -1.390 7.661 2.041) 8.049 1.663 ( -1.286 1.517 0.340) 2.018 1.795 ( 4.367 2.151 2.660) 5.547 1.948 ( -1.176 -7.161 2.302) 7.613 2.135 ( 2.255 4.499 -1.834) 5.356 2.196 ( 4.910 -1.253 -3.757) 6.308 2.632 ( 0.081 6.092 -1.865) 6.372 2.661 ( 5.205 5.705 0.279) 7.728 2.726 ( 1.490 -1.473 -2.672) 3.395 2.829 ( 1.463 -7.363 1.695) 7.696 2.910 ( 1.596 -2.236 1.889) 3.334 2.955 ( -2.228 -4.396 0.350) 4.941 3.079 ( -0.206 6.088 -0.754) 6.138 3.245 ( 1.136 -8.829 -1.961) 9.115 3.695 ( 7.892 20.844 0.917) 22.307 4.039 ( 2.835 -10.176 -0.831) 10.596 4.312 ( -2.122 5.799 1.881) 6.455 4.360 ( 0.211 -1.145 -1.286) 1.735 4.423 ( -8.659 5.925 0.058) 10.492 4.610 ( 0.337 -0.431 0.721) 0.906 4.660 ( 2.021 2.326 0.784) 3.180 4.844 ( -0.983 -20.035 -0.244) 20.060 5.786 ( 1.378 11.209 -1.244) 11.362 5.985 ( 1.181 -7.539 -0.858) 7.679 7.737 ( -3.691 10.131 0.363) 10.788 7.951 ( -0.771 -9.679 0.324) 9.715 8.698 ( 3.502 2.032 -0.009) 4.049 8.736 ( 4.069 -1.388 0.077) 4.300 9.062 ( 0.959 4.570 -0.598) 4.708 9.099 ( -0.620 2.528 -0.016) 2.603 9.370 ( 0.968 -2.288 -0.820) 2.616 9.416 ( 0.165 -5.131 -0.172) 5.137 9.767 ( 5.721 10.088 0.069) 11.597 9.987 ( 5.578 -10.142 0.185) 11.576 10.258 ( -5.219 6.821 -0.024) 8.589 10.387 ( -6.067 -5.042 -0.280) 7.894 10.705 ( -2.419 0.415 -0.117) 2.457 10.724 ( -2.139 -1.416 0.025) 2.565 11.026 ( 0.993 0.344 -0.251) 1.080 11.042 ( 0.608 -1.187 -0.176) 1.345 13.599 ( -0.281 0.789 -0.112) 0.845 13.630 ( -0.316 -2.139 -0.007) 2.162 ======================= Grid point 91 (49/116) ======================= q-point: (-0.50 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 6.24e-05 6.24e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.563 ( -5.553 4.978 -1.750) 7.660 1.646 ( -0.084 -2.457 0.172) 2.465 1.819 ( -3.574 5.547 0.846) 6.653 1.942 ( -1.401 -4.246 2.179) 4.974 2.170 ( 3.550 7.840 -1.193) 8.689 2.300 ( 5.950 -3.695 -0.300) 7.011 2.585 ( -2.781 4.267 -2.833) 5.829 2.678 ( -3.772 -3.642 -1.696) 5.511 2.739 ( 1.747 4.881 1.372) 5.363 2.852 ( 1.441 -3.434 -0.291) 3.736 2.914 ( -2.221 -2.778 0.488) 3.590 2.956 ( 0.220 -5.630 1.588) 5.854 3.059 ( 0.799 8.232 -2.212) 8.561 3.244 ( 0.951 -8.877 -2.357) 9.233 3.899 ( 4.708 9.414 -0.200) 10.527 3.977 ( -3.934 15.154 0.043) 15.656 4.283 ( -1.205 1.397 1.516) 2.387 4.332 ( -0.795 1.017 -1.992) 2.374 4.358 ( -0.002 -1.115 -0.570) 1.252 4.625 ( 0.673 -5.812 2.424) 6.333 4.683 ( -0.367 2.001 0.389) 2.071 4.827 ( 0.052 -19.315 -0.753) 19.330 5.818 ( 1.927 11.492 0.811) 11.681 6.023 ( 2.329 -7.919 1.752) 8.439 7.703 ( -0.099 11.469 0.408) 11.477 7.949 ( 0.189 -11.408 0.725) 11.433 8.734 ( 0.110 2.704 0.199) 2.713 8.779 ( 0.224 -1.413 0.385) 1.481 9.062 ( -0.341 3.972 -1.268) 4.184 9.083 ( -0.550 3.297 -0.670) 3.409 9.375 ( 0.205 -2.389 -1.009) 2.601 9.419 ( 0.176 -5.191 -0.073) 5.195 9.831 ( -0.042 10.138 0.092) 10.138 10.052 ( -0.252 -10.018 0.153) 10.022 10.197 ( -0.258 6.148 -0.396) 6.166 10.313 ( 0.085 -4.269 -0.431) 4.291 10.679 ( 0.059 0.560 -0.122) 0.576 10.701 ( -0.022 -1.632 -0.001) 1.632 11.031 ( -0.217 0.192 -0.669) 0.729 11.045 ( -0.111 -1.153 -0.445) 1.240 13.592 ( -0.209 0.707 -0.427) 0.852 13.622 ( -0.385 -2.048 -0.458) 2.133 ======================= Grid point 92 (50/116) ======================= q-point: (-0.38 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 6.24e-05 6.24e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.441 ( -4.962 10.362 -2.741) 11.811 1.614 ( -4.322 -2.500 -4.433) 6.677 1.730 ( -3.490 5.745 2.187) 7.069 1.915 ( -2.986 -7.691 1.037) 8.315 2.243 ( 3.475 8.387 1.590) 9.217 2.365 ( -0.649 -0.653 2.000) 2.201 2.516 ( -1.861 0.007 -4.020) 4.430 2.569 ( -5.080 -3.826 -4.148) 7.593 2.751 ( -1.067 4.407 1.102) 4.666 2.859 ( -2.279 0.560 0.591) 2.420 2.899 ( 1.522 -6.207 0.328) 6.399 2.944 ( -1.540 -4.493 0.540) 4.780 3.063 ( -1.189 7.542 -1.359) 7.755 3.248 ( 0.575 -8.593 -2.056) 8.854 3.732 ( -8.167 20.774 2.058) 22.416 4.054 ( 0.224 -6.872 -0.368) 6.885 4.255 ( -2.000 5.003 -0.233) 5.393 4.324 ( 1.030 1.041 -2.012) 2.489 4.409 ( 6.104 3.593 0.936) 7.145 4.652 ( -2.565 -0.085 0.262) 2.579 4.671 ( 1.620 -1.590 1.667) 2.816 4.837 ( 1.424 -18.571 -0.948) 18.650 5.860 ( 1.414 12.415 1.397) 12.573 6.085 ( 2.300 -8.835 2.462) 9.456 7.741 ( 3.791 10.564 0.633) 11.241 7.969 ( 1.260 -10.493 1.045) 10.620 8.702 ( -3.587 2.390 0.078) 4.311 8.746 ( -4.098 -1.605 0.368) 4.416 9.034 ( -1.344 4.477 -1.532) 4.919 9.073 ( 0.048 2.250 -0.905) 2.425 9.363 ( -0.654 -1.449 -1.074) 1.918 9.421 ( 0.098 -5.408 0.009) 5.409 9.766 ( -5.811 9.975 0.048) 11.544 9.983 ( -5.726 -9.876 0.026) 11.416 10.243 ( 4.847 7.289 -0.559) 8.771 10.384 ( 6.208 -5.655 -0.396) 8.407 10.705 ( 2.467 0.302 -0.134) 2.489 10.722 ( 2.000 -1.369 -0.046) 2.424 11.011 ( -1.162 0.624 -0.720) 1.503 11.033 ( -0.686 -1.462 -0.474) 1.683 13.586 ( -0.101 0.567 -0.579) 0.817 13.610 ( -0.386 -1.752 -0.638) 1.904 ======================= Grid point 93 (51/116) ======================= q-point: (-0.25 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 6.24e-05 6.24e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.361 ( -0.652 15.892 -3.679) 16.325 1.438 ( -9.811 11.671 -1.212) 15.295 1.731 ( -0.080 -6.887 1.033) 6.964 1.845 ( -3.173 -12.914 -2.291) 13.494 2.289 ( -3.810 5.983 1.610) 7.274 2.317 ( -1.758 6.542 1.454) 6.928 2.382 ( -7.965 -1.202 -3.909) 8.954 2.494 ( -2.215 -5.467 -1.081) 5.997 2.742 ( 0.382 2.862 -1.128) 3.100 2.820 ( -1.566 3.837 -0.313) 4.156 2.882 ( -3.976 -3.226 1.719) 5.400 2.936 ( -4.435 7.403 -0.527) 8.646 2.991 ( 0.623 -3.836 0.267) 3.895 3.215 ( -2.960 -12.214 -1.110) 12.617 3.728 ( 4.175 18.859 3.213) 19.581 4.038 ( -0.663 -10.511 1.635) 10.658 4.212 ( -1.657 7.090 -1.256) 7.389 4.343 ( 3.027 -2.313 -1.401) 4.059 4.528 ( 4.052 3.381 0.538) 5.305 4.598 ( -2.738 2.684 0.037) 3.834 4.709 ( 1.886 -1.531 0.573) 2.496 4.844 ( -0.947 -15.616 -0.537) 15.654 5.881 ( 0.166 13.530 0.217) 13.533 6.131 ( 1.085 -9.995 0.929) 10.097 7.851 ( 7.100 7.909 0.880) 10.665 8.013 ( 2.637 -6.703 1.092) 7.286 8.609 ( -5.954 0.649 -0.248) 5.994 8.634 ( -7.649 -1.582 -0.124) 7.812 8.999 ( -1.197 5.157 -1.161) 5.420 9.071 ( 0.205 -0.036 -0.611) 0.646 9.340 ( -0.811 0.678 -0.888) 1.381 9.423 ( 0.148 -5.497 -0.001) 5.499 9.650 ( -5.964 9.985 0.016) 11.630 9.873 ( -5.469 -10.363 -0.010) 11.718 10.349 ( 6.410 7.717 -0.339) 10.037 10.504 ( 6.459 -6.617 -0.319) 9.252 10.745 ( 0.972 -0.009 -0.132) 0.981 10.758 ( 1.450 -0.926 -0.185) 1.730 10.991 ( -0.020 1.062 -0.379) 1.127 11.020 ( -0.203 -1.639 -0.282) 1.675 13.580 ( -0.035 0.482 -0.534) 0.720 13.599 ( -0.372 -1.286 -0.334) 1.380 ======================= Grid point 94 (52/116) ======================= q-point: (-0.12 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 6.24e-05 6.24e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.278 ( -6.482 17.095 2.496) 18.452 1.383 ( 5.274 18.428 -2.731) 19.362 1.654 ( -7.444 -10.387 0.578) 12.792 1.847 ( 6.014 -15.978 -5.836) 18.042 2.151 ( -8.344 6.645 1.101) 10.723 2.215 ( -6.136 1.054 -1.742) 6.465 2.333 ( -0.511 3.815 1.744) 4.225 2.442 ( -3.236 -3.555 1.521) 5.042 2.700 ( -4.206 7.635 -4.263) 9.703 2.786 ( -0.449 6.007 0.427) 6.039 2.820 ( -1.882 -3.302 0.402) 3.822 2.899 ( 0.233 6.963 1.691) 7.169 3.031 ( 1.603 -7.508 0.150) 7.679 3.151 ( -2.594 -16.426 0.553) 16.639 3.842 ( 3.465 14.925 3.660) 15.753 4.046 ( -1.073 -6.340 3.050) 7.117 4.192 ( 1.079 10.550 -1.762) 10.750 4.436 ( 7.902 -3.593 -1.668) 8.839 4.555 ( -1.133 -0.362 1.097) 1.618 4.570 ( 0.191 3.253 -0.421) 3.286 4.743 ( 1.101 -4.066 -0.353) 4.227 4.778 ( -5.684 -11.706 -0.202) 13.015 5.870 ( -0.614 14.091 -1.754) 14.213 6.135 ( -0.364 -10.727 -1.762) 10.877 7.993 ( 5.849 5.790 0.400) 8.240 8.089 ( 5.471 -2.225 0.553) 5.932 8.457 ( -9.697 0.676 -0.504) 9.734 8.508 ( -4.700 -4.279 -0.075) 6.357 8.978 ( -0.301 5.536 -0.438) 5.561 9.072 ( 0.290 -1.962 -0.010) 1.984 9.325 ( -0.218 2.952 -0.439) 2.992 9.427 ( 0.256 -5.446 -0.102) 5.453 9.557 ( -3.687 9.852 -0.019) 10.520 9.789 ( -3.283 -10.965 -0.013) 11.445 10.470 ( 6.313 7.011 0.156) 9.436 10.614 ( 5.213 -6.290 -0.101) 8.170 10.723 ( -2.797 1.138 -0.153) 3.024 10.761 ( -1.106 -2.220 -0.243) 2.493 11.008 ( 1.563 0.607 -0.043) 1.677 11.024 ( 0.629 -0.931 -0.083) 1.126 13.578 ( 0.173 0.570 -0.160) 0.617 13.595 ( -0.076 -0.936 0.427) 1.032 ======================= Grid point 119 (53/116) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 6.24e-05 6.24e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.785 ( -2.391 0.000 16.218) 16.393 0.894 ( -6.717 0.000 18.148) 19.352 1.407 ( -1.852 0.000 27.678) 27.740 1.690 ( 3.440 0.000 -5.181) 6.218 1.800 ( 1.777 0.000 -8.138) 8.330 2.119 ( -0.354 0.000 -1.738) 1.774 2.231 ( 4.643 0.000 1.350) 4.835 2.336 ( -0.259 0.000 1.024) 1.056 2.749 ( -3.492 0.000 -2.378) 4.225 2.803 ( -0.454 0.000 3.988) 4.014 2.941 ( 2.036 0.000 -5.668) 6.022 3.081 ( 0.506 0.000 0.780) 0.930 3.198 ( 5.261 0.000 -8.733) 10.195 3.404 ( -0.012 0.000 1.639) 1.640 3.803 ( -2.877 0.000 -0.584) 2.935 3.980 ( 2.945 0.000 -1.287) 3.214 3.986 ( 2.197 0.000 -3.837) 4.422 4.340 ( 0.791 0.000 1.156) 1.401 4.397 ( -4.897 0.000 2.615) 5.552 4.766 ( -0.979 0.000 2.363) 2.558 4.965 ( -0.913 0.000 -0.458) 1.021 5.035 ( -0.980 0.000 -0.183) 0.997 5.384 ( 0.118 0.000 -0.323) 0.344 6.303 ( -3.613 0.000 -4.980) 6.152 7.834 ( 0.454 0.000 -0.890) 0.999 7.988 ( -1.670 0.000 0.624) 1.783 8.315 ( 1.075 0.000 -0.955) 1.438 8.774 ( 0.878 0.000 0.589) 1.058 8.869 ( -1.294 0.000 0.003) 1.294 8.887 ( 0.643 0.000 0.262) 0.694 9.108 ( -0.136 0.000 0.542) 0.559 9.623 ( 2.207 0.000 0.118) 2.210 9.630 ( -0.367 0.000 -0.663) 0.758 10.191 ( -0.030 0.000 0.506) 0.507 10.292 ( -0.047 0.000 2.469) 2.469 10.729 ( -0.400 0.000 -0.826) 0.918 10.746 ( 1.114 0.000 0.272) 1.146 10.873 ( 0.323 0.000 0.291) 0.434 10.985 ( -0.409 0.000 -0.636) 0.756 11.088 ( 0.172 0.000 0.276) 0.325 13.603 ( 1.506 0.000 0.144) 1.512 13.722 ( 2.646 0.000 0.550) 2.703 ======================= Grid point 120 (54/116) ======================= q-point: ( 0.12 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 6.24e-05 6.24e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.928 ( 5.522 0.000 13.239) 14.345 0.947 ( 0.090 0.000 19.373) 19.373 1.604 ( 4.845 0.000 9.843) 10.971 1.730 ( 4.954 0.000 -6.232) 7.961 1.857 ( 8.486 0.000 -2.292) 8.790 2.102 ( -0.410 0.000 -1.078) 1.154 2.305 ( 1.612 0.000 0.260) 1.633 2.352 ( 1.551 0.000 0.347) 1.590 2.723 ( 0.881 0.000 -0.449) 0.989 2.756 ( -5.843 0.000 2.663) 6.422 2.933 ( 2.143 0.000 -7.272) 7.581 3.044 ( -4.531 0.000 0.470) 4.555 3.215 ( 2.319 0.000 -2.412) 3.346 3.416 ( 0.819 0.000 1.244) 1.490 3.700 ( -5.528 0.000 -0.563) 5.556 4.002 ( 2.451 0.000 -4.049) 4.733 4.107 ( 8.812 0.000 -0.888) 8.856 4.323 ( -1.299 0.000 2.132) 2.497 4.451 ( 4.720 0.000 1.615) 4.989 4.774 ( 0.038 0.000 2.342) 2.343 4.930 ( -7.548 0.000 0.375) 7.557 4.950 ( -2.079 0.000 -1.032) 2.321 5.435 ( 5.235 0.000 -0.405) 5.251 6.212 ( -2.525 0.000 -2.459) 3.525 7.821 ( -13.200 0.000 0.821) 13.226 7.905 ( 7.296 0.000 -1.037) 7.369 8.419 ( 7.646 0.000 -0.920) 7.701 8.794 ( 0.901 0.000 0.515) 1.038 8.839 ( -2.015 0.000 0.509) 2.079 8.906 ( 0.617 0.000 0.124) 0.629 9.154 ( 4.859 0.000 0.499) 4.884 9.626 ( 0.369 0.000 -0.519) 0.637 9.638 ( 0.039 0.000 -0.782) 0.783 10.213 ( 1.930 0.000 0.426) 1.976 10.233 ( -6.862 0.000 1.965) 7.138 10.694 ( -2.782 0.000 -0.692) 2.867 10.793 ( 1.201 0.000 -0.169) 1.213 10.880 ( 1.831 0.000 0.157) 1.838 10.958 ( -2.105 0.000 -0.270) 2.123 11.095 ( 0.456 0.000 0.091) 0.465 13.613 ( -0.068 0.000 -0.310) 0.317 13.760 ( 1.317 0.000 -1.081) 1.704 ======================= Grid point 121 (55/116) ======================= q-point: ( 0.25 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 6.24e-05 6.24e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.149 ( 6.376 0.000 15.574) 16.829 1.155 ( 9.344 0.000 9.906) 13.617 1.719 ( 6.545 0.000 -5.774) 8.728 1.785 ( 6.038 0.000 -7.306) 9.478 2.017 ( 6.427 0.000 -0.374) 6.438 2.085 ( -0.996 0.000 0.152) 1.008 2.291 ( -2.273 0.000 0.325) 2.296 2.385 ( 3.388 0.000 -2.551) 4.241 2.687 ( -7.880 0.000 1.717) 8.065 2.690 ( -2.082 0.000 1.723) 2.703 2.949 ( 4.914 0.000 -5.650) 7.488 2.969 ( -2.200 0.000 0.731) 2.318 3.235 ( -0.061 0.000 0.439) 0.443 3.479 ( 5.544 0.000 0.501) 5.567 3.616 ( -2.852 0.000 -0.156) 2.856 4.018 ( 2.303 0.000 -4.310) 4.887 4.193 ( -3.951 0.000 -1.288) 4.156 4.326 ( 1.126 0.000 0.162) 1.137 4.512 ( -0.374 0.000 3.144) 3.166 4.790 ( -2.231 0.000 -0.114) 2.234 4.801 ( 1.149 0.000 2.279) 2.553 4.940 ( 0.079 0.000 0.192) 0.207 5.555 ( 7.290 0.000 -0.585) 7.313 6.191 ( 0.747 0.000 1.524) 1.698 7.569 ( -13.409 0.000 0.947) 13.442 8.071 ( 10.407 0.000 -0.642) 10.427 8.546 ( 6.358 0.000 -0.774) 6.405 8.794 ( -2.492 0.000 -0.197) 2.500 8.819 ( 0.619 0.000 1.045) 1.214 8.899 ( -1.326 0.000 0.073) 1.328 9.286 ( 8.078 0.000 0.267) 8.083 9.627 ( -0.249 0.000 -1.099) 1.127 9.636 ( 1.014 0.000 -0.242) 1.043 10.097 ( -8.086 0.000 1.048) 8.154 10.264 ( 3.104 0.000 0.218) 3.111 10.618 ( -4.701 0.000 -0.271) 4.709 10.753 ( -4.000 0.000 -0.137) 4.002 10.908 ( -3.005 0.000 0.212) 3.013 10.952 ( 4.426 0.000 -0.786) 4.495 11.106 ( 0.655 0.000 -0.084) 0.660 13.604 ( -0.315 0.000 -0.875) 0.930 13.762 ( -0.023 0.000 -1.175) 1.175 ======================= Grid point 122 (56/116) ======================= q-point: ( 0.38 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 6.24e-05 6.24e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.354 ( 5.074 0.000 8.955) 10.292 1.387 ( 7.064 0.000 7.872) 10.577 1.705 ( -2.611 0.000 -14.203) 14.441 1.852 ( 6.461 0.000 -6.640) 9.265 2.059 ( 1.555 0.000 0.688) 1.700 2.082 ( 1.255 0.000 0.574) 1.380 2.328 ( 5.470 0.000 -0.829) 5.532 2.445 ( 6.009 0.000 -6.498) 8.851 2.464 ( -14.699 0.000 0.605) 14.712 2.678 ( -1.240 0.000 1.580) 2.008 2.963 ( -0.500 0.000 2.404) 2.456 3.031 ( 6.139 0.000 -2.818) 6.755 3.228 ( 0.156 0.000 0.158) 0.223 3.594 ( 0.012 0.000 1.221) 1.221 3.608 ( 6.426 0.000 0.766) 6.472 3.894 ( -22.778 0.000 0.717) 22.789 4.024 ( 1.655 0.000 -4.634) 4.921 4.343 ( 0.625 0.000 -2.446) 2.525 4.561 ( 2.242 0.000 4.364) 4.906 4.830 ( 3.911 0.000 -0.432) 3.935 4.845 ( 1.479 0.000 2.277) 2.715 4.951 ( 0.602 0.000 0.804) 1.004 5.674 ( 5.266 0.000 -0.742) 5.318 6.253 ( 3.141 0.000 4.380) 5.390 7.360 ( -8.806 0.000 0.868) 8.848 8.266 ( 9.773 0.000 0.609) 9.792 8.643 ( 4.449 0.000 -0.545) 4.482 8.730 ( -4.123 0.000 -0.264) 4.131 8.836 ( 0.466 0.000 0.154) 0.491 8.866 ( -2.111 0.000 0.029) 2.112 9.426 ( 5.941 0.000 -0.038) 5.941 9.617 ( -0.026 0.000 -1.295) 1.295 9.661 ( 1.638 0.000 0.345) 1.674 9.961 ( -6.378 0.000 -0.044) 6.378 10.327 ( 3.362 0.000 -0.208) 3.369 10.527 ( -4.674 0.000 0.426) 4.694 10.673 ( -3.722 0.000 -0.219) 3.728 10.859 ( -2.126 0.000 0.553) 2.197 11.009 ( 2.232 0.000 -1.413) 2.642 11.116 ( 0.434 0.000 -0.230) 0.491 13.593 ( -0.064 0.000 -1.081) 1.083 13.747 ( -0.542 0.000 -1.202) 1.319 ======================= Grid point 123 (57/116) ======================= q-point: (-0.50 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 6.24e-05 6.24e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.307 ( -13.594 0.000 -9.281) 16.460 1.459 ( -5.938 0.000 6.417) 8.743 1.624 ( 6.554 0.000 -1.786) 6.793 1.928 ( 4.388 0.000 -3.298) 5.489 2.116 ( 1.996 0.000 3.049) 3.645 2.126 ( -3.207 0.000 -0.974) 3.352 2.264 ( 2.453 0.000 -0.378) 2.482 2.383 ( 0.576 0.000 -4.391) 4.429 2.496 ( 5.097 0.000 -10.953) 12.081 2.653 ( -3.484 0.000 4.144) 5.414 2.976 ( -0.079 0.000 2.818) 2.819 3.070 ( -2.446 0.000 -1.454) 2.846 3.224 ( -5.586 0.000 0.419) 5.601 3.563 ( -5.585 0.000 2.430) 6.091 3.646 ( 5.164 0.000 1.857) 5.488 3.692 ( 0.883 0.000 1.603) 1.830 4.010 ( 0.638 0.000 -5.220) 5.258 4.319 ( -0.974 0.000 -2.341) 2.536 4.617 ( 0.323 0.000 3.507) 3.522 4.874 ( -0.536 0.000 2.296) 2.358 4.882 ( 1.446 0.000 -0.468) 1.519 4.970 ( 0.762 0.000 0.735) 1.059 5.724 ( 0.324 0.000 -0.802) 0.865 6.352 ( 3.448 0.000 4.642) 5.782 7.277 ( -0.185 0.000 0.767) 0.789 8.412 ( 3.226 0.000 1.614) 3.607 8.646 ( -3.198 0.000 -0.785) 3.293 8.706 ( 2.566 0.000 -0.545) 2.623 8.822 ( -2.525 0.000 0.075) 2.526 8.838 ( -0.011 0.000 -0.214) 0.214 9.484 ( -0.143 0.000 -0.063) 0.156 9.604 ( -0.405 0.000 -1.296) 1.358 9.695 ( 1.122 0.000 1.042) 1.531 9.875 ( -1.961 0.000 -0.890) 2.154 10.357 ( -1.020 0.000 -0.647) 1.208 10.487 ( 1.283 0.000 0.871) 1.550 10.632 ( -0.076 0.000 -0.267) 0.277 10.845 ( 0.267 0.000 0.700) 0.749 11.014 ( -0.549 0.000 -1.476) 1.575 11.118 ( 0.025 0.000 -0.299) 0.300 13.585 ( 0.027 0.000 -1.072) 1.073 13.726 ( -0.785 0.000 -1.171) 1.410 ======================= Grid point 124 (58/116) ======================= q-point: (-0.38 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 6.24e-05 6.24e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.928 ( -17.192 0.000 -6.389) 18.341 1.282 ( -16.602 0.000 7.754) 18.324 1.786 ( 9.120 0.000 1.010) 9.176 1.880 ( -4.867 0.000 -6.326) 7.981 2.075 ( 1.359 0.000 1.342) 1.910 2.161 ( 0.577 0.000 1.581) 1.683 2.240 ( -15.859 0.000 1.780) 15.959 2.417 ( -5.685 0.000 -7.150) 9.135 2.492 ( 15.765 0.000 -0.128) 15.766 2.657 ( 3.608 0.000 -1.024) 3.751 2.897 ( -9.078 0.000 -1.248) 9.163 3.001 ( 0.607 0.000 2.545) 2.617 3.159 ( -1.026 0.000 0.135) 1.035 3.580 ( 1.794 0.000 1.167) 2.140 3.643 ( -7.216 0.000 1.380) 7.347 3.867 ( 13.407 0.000 1.667) 13.510 3.985 ( 1.049 0.000 -5.346) 5.448 4.292 ( -0.110 0.000 -0.676) 0.685 4.629 ( -0.723 0.000 2.349) 2.458 4.855 ( -2.938 0.000 2.255) 3.704 4.876 ( -1.232 0.000 -0.575) 1.359 4.989 ( 0.785 0.000 0.391) 0.877 5.675 ( -4.683 0.000 -0.744) 4.742 6.432 ( 2.198 0.000 2.137) 3.065 7.366 ( 8.682 0.000 0.784) 8.717 8.340 ( -9.903 0.000 -0.231) 9.905 8.659 ( 3.247 0.000 0.367) 3.267 8.698 ( -3.722 0.000 -1.257) 3.929 8.804 ( 1.293 0.000 0.696) 1.469 8.840 ( 0.374 0.000 0.330) 0.498 9.419 ( -6.332 0.000 0.068) 6.332 9.582 ( -1.034 0.000 -1.017) 1.450 9.708 ( -0.769 0.000 0.781) 1.096 9.892 ( 4.437 0.000 -0.227) 4.443 10.302 ( -3.492 0.000 -0.046) 3.492 10.563 ( 5.241 0.000 0.061) 5.241 10.668 ( 3.739 0.000 -0.178) 3.743 10.877 ( 2.494 0.000 0.526) 2.549 10.970 ( -3.051 0.000 -0.992) 3.208 11.113 ( -0.311 0.000 -0.274) 0.414 13.576 ( -0.254 0.000 -1.203) 1.229 13.702 ( -1.046 0.000 -0.669) 1.242 ======================= Grid point 125 (59/116) ======================= q-point: (-0.25 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 6.24e-05 6.24e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.686 ( -8.342 0.000 12.902) 15.364 1.011 ( -17.961 0.000 10.896) 21.008 1.756 ( -3.042 0.000 -5.943) 6.676 1.844 ( -26.841 0.000 13.129) 29.880 1.945 ( 4.129 0.000 -0.032) 4.129 2.116 ( 1.742 0.000 -0.011) 1.742 2.140 ( -3.211 0.000 -3.417) 4.688 2.306 ( -0.007 0.000 -2.712) 2.712 2.749 ( 5.396 0.000 -4.847) 7.253 2.772 ( 12.634 0.000 0.277) 12.637 2.788 ( 0.125 0.000 -0.184) 0.223 3.017 ( -1.212 0.000 1.370) 1.829 3.135 ( -1.804 0.000 0.424) 1.853 3.480 ( -8.801 0.000 0.518) 8.816 3.643 ( 4.853 0.000 -0.046) 4.853 3.975 ( 1.582 0.000 -4.533) 4.801 4.041 ( 3.145 0.000 0.929) 3.279 4.313 ( 1.121 0.000 1.279) 1.701 4.629 ( -1.147 0.000 -0.040) 1.148 4.811 ( -3.106 0.000 2.228) 3.822 4.869 ( 2.345 0.000 0.082) 2.347 5.003 ( 0.631 0.000 -0.325) 0.710 5.556 ( -6.859 0.000 -0.587) 6.884 6.454 ( -0.077 0.000 -2.115) 2.117 7.588 ( 13.473 0.000 0.740) 13.493 8.117 ( -12.051 0.000 -1.164) 12.107 8.579 ( -7.361 0.000 -1.191) 7.457 8.714 ( 2.040 0.000 0.348) 2.069 8.847 ( 2.094 0.000 0.562) 2.168 8.860 ( 1.120 0.000 0.988) 1.494 9.277 ( -8.040 0.000 0.323) 8.047 9.558 ( -0.876 0.000 0.080) 0.879 9.682 ( -1.732 0.000 -0.357) 1.768 10.024 ( 8.330 0.000 1.537) 8.470 10.243 ( -2.832 0.000 0.404) 2.860 10.659 ( 4.737 0.000 -0.630) 4.779 10.747 ( 4.087 0.000 -0.088) 4.088 10.893 ( -4.322 0.000 -0.178) 4.326 10.935 ( 3.026 0.000 0.044) 3.026 11.103 ( -0.600 0.000 -0.258) 0.653 13.559 ( -0.515 0.000 -1.043) 1.163 13.681 ( -1.009 0.000 0.768) 1.268 ======================= Grid point 126 (60/116) ======================= q-point: (-0.12 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 6.24e-05 6.24e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.789 ( 1.799 0.000 22.645) 22.716 0.810 ( -12.255 0.000 15.030) 19.393 1.467 ( -23.762 0.000 22.807) 32.936 1.689 ( 0.312 0.000 -5.244) 5.253 1.888 ( -4.895 0.000 -6.174) 7.879 2.132 ( 0.370 0.000 -1.163) 1.221 2.142 ( 3.851 0.000 0.416) 3.873 2.327 ( 1.177 0.000 0.237) 1.201 2.752 ( 1.144 0.000 2.404) 2.663 2.867 ( -4.763 0.000 -1.619) 5.031 2.910 ( 8.195 0.000 -6.940) 10.738 3.020 ( 4.176 0.000 0.643) 4.225 3.127 ( 3.056 0.000 -1.656) 3.476 3.394 ( -1.104 0.000 1.396) 1.780 3.753 ( 6.434 0.000 -1.132) 6.533 3.977 ( 1.768 0.000 -3.947) 4.325 4.030 ( -3.481 0.000 -0.546) 3.524 4.322 ( -0.564 0.000 1.387) 1.497 4.543 ( -7.470 0.000 -1.435) 7.606 4.778 ( -2.076 0.000 2.286) 3.088 4.956 ( 3.557 0.000 1.127) 3.731 5.011 ( 1.575 0.000 -1.467) 2.152 5.435 ( -4.944 0.000 -0.406) 4.960 6.400 ( -2.595 0.000 -5.046) 5.674 7.848 ( 12.633 0.000 0.558) 12.645 7.912 ( -7.849 0.000 -1.081) 7.923 8.419 ( -8.295 0.000 -1.003) 8.355 8.748 ( 1.442 0.000 0.567) 1.550 8.878 ( 0.642 0.000 0.417) 0.766 8.881 ( 0.205 0.000 0.159) 0.259 9.151 ( -5.016 0.000 0.500) 5.040 9.569 ( 1.738 0.000 1.615) 2.372 9.649 ( -1.187 0.000 -0.707) 1.382 10.195 ( 7.452 0.000 2.385) 7.824 10.204 ( -1.636 0.000 0.562) 1.730 10.720 ( 2.250 0.000 -1.042) 2.479 10.771 ( -2.447 0.000 0.110) 2.449 10.852 ( 1.015 0.000 0.354) 1.075 10.979 ( 1.637 0.000 -0.527) 1.720 11.089 ( -0.563 0.000 0.054) 0.565 13.561 ( 1.536 0.000 0.497) 1.615 13.682 ( 0.196 0.000 2.038) 2.048 ======================= Grid point 127 (61/116) ======================= q-point: ( 0.00 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 6.24e-05 6.24e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.818 ( -2.334 6.643 15.724) 17.229 1.078 ( 2.190 10.316 15.945) 19.118 1.541 ( -4.256 12.730 16.888) 21.573 1.692 ( -1.608 0.394 -3.904) 4.241 1.891 ( 3.375 7.193 -7.518) 10.939 2.114 ( -0.324 -0.985 -2.757) 2.946 2.232 ( 4.554 0.311 2.252) 5.090 2.352 ( 0.008 1.274 0.561) 1.392 2.643 ( -2.972 -6.707 -0.950) 7.397 2.815 ( -0.448 0.948 3.620) 3.769 2.903 ( 6.145 -5.597 -6.642) 10.640 3.091 ( 0.639 1.575 0.079) 1.701 3.228 ( 0.450 -0.413 -0.996) 1.168 3.340 ( -0.560 0.195 0.530) 0.795 3.713 ( -1.122 -8.190 -0.725) 8.298 4.003 ( 0.685 1.719 0.036) 1.851 4.119 ( 3.211 9.817 -4.717) 11.354 4.318 ( -2.292 -2.507 1.925) 3.904 4.389 ( 0.048 0.466 1.509) 1.580 4.683 ( -2.148 -3.940 1.465) 4.720 4.987 ( -0.863 -4.306 -0.332) 4.405 5.148 ( -0.739 12.383 -1.146) 12.458 5.309 ( 0.137 -6.802 -0.316) 6.811 6.269 ( -3.315 -3.237 -5.147) 6.925 7.827 ( 0.101 0.569 -0.763) 0.957 8.062 ( -1.651 5.580 0.138) 5.821 8.313 ( 1.164 -0.501 -0.833) 1.516 8.761 ( 0.409 -3.060 0.857) 3.204 8.822 ( -0.298 -0.415 0.016) 0.511 8.958 ( 0.464 4.526 0.121) 4.551 9.133 ( -0.132 2.811 0.538) 2.866 9.565 ( 1.594 -4.845 0.596) 5.135 9.607 ( -0.272 -2.250 -0.554) 2.333 10.131 ( 0.046 -5.299 0.368) 5.312 10.337 ( 0.045 3.741 1.886) 4.190 10.701 ( 0.210 -1.554 -0.272) 1.591 10.767 ( 0.538 0.767 -0.164) 0.951 10.862 ( 0.260 -1.606 -0.265) 1.648 10.989 ( -0.429 0.609 -0.537) 0.918 11.076 ( 0.196 -1.064 0.343) 1.134 13.594 ( 1.368 -0.587 0.294) 1.518 13.701 ( 1.710 -1.664 1.211) 2.676 ======================= Grid point 128 (62/116) ======================= q-point: ( 0.12 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 6.24e-05 6.24e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.972 ( 6.583 7.722 13.793) 17.123 1.207 ( 2.342 16.024 12.640) 20.543 1.647 ( 1.690 3.458 3.984) 5.540 1.717 ( 8.424 1.126 -0.629) 8.522 1.925 ( 5.400 4.652 -5.040) 8.730 2.088 ( -0.887 -0.969 -2.065) 2.447 2.316 ( 2.295 0.977 1.026) 2.697 2.371 ( 1.990 1.631 0.032) 2.573 2.615 ( -0.649 -5.948 0.617) 6.015 2.795 ( -1.635 0.835 0.564) 1.921 2.941 ( 2.597 0.277 -5.135) 5.761 3.082 ( -2.646 1.871 0.422) 3.268 3.243 ( -0.335 4.228 0.566) 4.279 3.322 ( 1.054 -7.284 0.755) 7.399 3.636 ( -5.205 -5.893 -0.498) 7.879 4.049 ( 3.307 0.394 -1.851) 3.810 4.173 ( 5.658 8.333 -2.697) 10.428 4.313 ( 0.158 -1.168 1.473) 1.886 4.434 ( 3.162 -1.149 1.187) 3.568 4.669 ( -0.929 -4.713 2.408) 5.374 4.887 ( -9.013 -3.991 -0.215) 9.859 5.139 ( 0.508 12.451 -1.052) 12.506 5.358 ( 5.042 -6.955 -0.386) 8.599 6.183 ( -2.153 -2.745 -2.722) 4.425 7.813 ( -6.941 0.400 0.164) 6.954 7.960 ( 0.198 3.835 -0.457) 3.868 8.432 ( 8.213 0.964 -0.790) 8.306 8.772 ( 0.006 -4.164 1.125) 4.313 8.824 ( 0.450 1.628 -0.247) 1.707 8.960 ( -0.473 4.065 0.076) 4.093 9.181 ( 4.915 2.924 0.442) 5.736 9.580 ( 0.132 -4.590 -0.420) 4.611 9.607 ( 0.490 -2.402 -0.427) 2.488 10.156 ( 2.240 -5.020 0.295) 5.505 10.273 ( -6.841 3.395 1.565) 7.795 10.692 ( -2.332 -0.263 -0.712) 2.453 10.791 ( 1.208 -0.274 -0.147) 1.247 10.858 ( 0.279 -2.314 -0.004) 2.331 10.966 ( -1.285 0.924 -0.144) 1.589 11.083 ( 0.414 -1.043 0.122) 1.129 13.606 ( 0.045 -0.515 -0.241) 0.570 13.734 ( 1.121 -2.124 -0.246) 2.415 ======================= Grid point 129 (63/116) ======================= q-point: ( 0.25 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 6.24e-05 6.24e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.211 ( 7.547 6.249 12.181) 15.633 1.371 ( 6.139 15.582 10.294) 19.659 1.703 ( 5.627 -0.752 -5.013) 7.574 1.860 ( 8.223 6.618 -8.450) 13.521 2.010 ( 1.454 -0.796 -2.080) 2.660 2.067 ( 3.311 -1.124 0.143) 3.500 2.313 ( -2.596 2.000 1.136) 3.468 2.419 ( 3.909 2.905 -2.364) 5.413 2.601 ( -1.808 -3.854 1.480) 4.507 2.799 ( -1.482 5.452 1.206) 5.777 2.924 ( 0.173 0.461 -3.891) 3.922 3.013 ( -2.350 2.086 -0.119) 3.144 3.225 ( -1.181 -0.737 0.982) 1.704 3.415 ( 6.490 -6.089 1.446) 9.016 3.544 ( -3.592 -5.542 -0.630) 6.635 4.076 ( 1.526 2.943 -3.715) 4.979 4.229 ( -3.051 4.102 -0.311) 5.122 4.333 ( 2.319 0.541 -1.665) 2.905 4.491 ( 0.458 -1.679 2.911) 3.391 4.673 ( -0.383 -5.424 1.653) 5.683 4.727 ( -4.187 -5.364 1.113) 6.895 5.154 ( 1.637 13.428 -0.310) 13.531 5.470 ( 6.543 -7.961 -0.570) 10.321 6.165 ( 0.919 -2.462 1.171) 2.877 7.603 ( -12.335 3.152 0.773) 12.754 8.072 ( 8.777 -0.044 -0.404) 8.786 8.565 ( 6.228 1.399 -0.577) 6.409 8.771 ( -1.086 -2.765 1.020) 3.141 8.835 ( 0.966 2.366 -0.549) 2.614 8.939 ( -1.662 3.460 -0.016) 3.839 9.311 ( 7.942 2.612 0.228) 8.363 9.575 ( 0.000 -4.294 -0.959) 4.400 9.617 ( 0.953 -2.212 -0.177) 2.415 10.134 ( -7.742 3.382 0.734) 8.481 10.219 ( 3.606 -4.256 0.267) 5.584 10.611 ( -5.396 -0.646 -0.396) 5.449 10.757 ( -3.594 0.239 -0.180) 3.607 10.866 ( -1.199 -3.056 0.134) 3.286 10.970 ( 2.333 0.984 -0.595) 2.601 11.093 ( 0.586 -1.169 -0.087) 1.311 13.599 ( -0.286 -0.369 -0.777) 0.906 13.739 ( -0.029 -1.974 -0.788) 2.126 ======================= Grid point 130 (64/116) ======================= q-point: ( 0.38 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 6.24e-05 6.24e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.401 ( 4.651 3.980 8.302) 10.315 1.539 ( 3.260 10.602 7.265) 13.260 1.739 ( -1.143 3.238 -11.895) 12.381 1.858 ( 2.619 0.161 -4.930) 5.585 2.063 ( 8.302 1.877 -3.177) 9.085 2.102 ( -1.777 1.789 2.239) 3.373 2.347 ( 6.193 1.359 -1.286) 6.469 2.473 ( 1.156 2.612 -3.993) 4.910 2.500 ( -7.436 3.706 -1.670) 8.474 2.737 ( -1.831 5.471 0.746) 5.818 2.945 ( 0.410 -1.485 1.247) 1.982 3.029 ( 4.082 -0.235 -1.460) 4.342 3.225 ( 1.749 -0.108 0.224) 1.767 3.501 ( -0.403 -7.524 0.793) 7.576 3.550 ( 4.937 -5.417 1.717) 7.528 3.929 ( -18.916 3.211 -0.650) 19.198 4.111 ( -0.963 6.593 -2.355) 7.067 4.350 ( 1.061 0.536 -3.917) 4.093 4.540 ( 1.940 -1.404 4.362) 4.976 4.709 ( 1.862 -5.034 1.670) 5.621 4.736 ( 2.358 -7.964 0.591) 8.327 5.193 ( 2.193 14.439 0.701) 14.621 5.573 ( 4.433 -9.525 -0.740) 10.532 6.226 ( 3.130 -2.589 3.988) 5.693 7.410 ( -8.093 4.594 0.724) 9.334 8.239 ( 8.158 -2.697 0.804) 8.630 8.647 ( 2.214 0.272 -0.176) 2.237 8.753 ( -0.451 1.425 0.006) 1.495 8.845 ( 0.254 1.830 -0.469) 1.906 8.904 ( -1.816 3.275 -0.345) 3.760 9.449 ( 5.926 2.313 -0.008) 6.362 9.568 ( 0.120 -4.144 -1.297) 4.344 9.642 ( 1.540 -2.097 0.404) 2.633 10.001 ( -6.206 3.687 -0.194) 7.221 10.299 ( 4.717 -3.006 -0.018) 5.594 10.498 ( -6.170 -2.046 0.076) 6.501 10.685 ( -3.366 0.767 -0.173) 3.457 10.831 ( -1.904 -2.403 0.432) 3.096 11.009 ( 1.890 0.020 -1.270) 2.277 11.102 ( 0.406 -1.257 -0.249) 1.344 13.588 ( -0.105 -0.339 -0.986) 1.048 13.726 ( -0.566 -1.863 -1.006) 2.191 ======================= Grid point 131 (65/116) ======================= q-point: (-0.50 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 6.24e-05 6.24e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.394 ( -12.568 7.095 -4.803) 15.211 1.511 ( -8.006 2.579 0.862) 8.455 1.651 ( 5.118 3.041 0.850) 6.013 1.944 ( 4.768 0.978 -0.435) 4.887 2.085 ( -2.221 -1.074 4.045) 4.738 2.239 ( 1.748 9.778 -5.069) 11.152 2.270 ( 1.889 1.109 -0.746) 2.314 2.423 ( 2.756 3.156 -4.262) 5.977 2.526 ( 4.388 3.016 -8.703) 10.202 2.718 ( -2.522 5.346 2.646) 6.476 2.958 ( 0.097 -1.722 2.281) 2.860 3.059 ( -1.012 -1.229 -1.252) 2.025 3.266 ( -4.112 3.964 0.248) 5.718 3.495 ( -6.777 -6.696 3.353) 10.100 3.565 ( 2.356 -5.479 0.121) 5.966 3.708 ( 2.033 1.047 2.158) 3.144 4.086 ( 0.003 6.064 -3.586) 7.045 4.327 ( -0.388 0.563 -3.431) 3.499 4.583 ( -0.916 -2.411 3.577) 4.410 4.740 ( 0.314 -3.604 1.915) 4.093 4.784 ( 1.767 -8.736 -0.246) 8.916 5.233 ( 1.063 15.340 0.997) 15.410 5.613 ( 0.269 -10.436 -0.801) 10.470 6.321 ( 3.361 -2.933 4.258) 6.167 7.333 ( -0.208 5.165 0.659) 5.211 8.357 ( 2.263 -5.175 1.618) 5.876 8.639 ( -1.274 0.529 -0.433) 1.446 8.774 ( 2.243 4.195 -0.217) 4.762 8.828 ( -2.206 1.613 -0.131) 2.736 8.871 ( -0.979 2.724 -0.893) 3.029 9.508 ( -0.120 2.292 0.040) 2.296 9.558 ( -0.231 -4.090 -1.385) 4.325 9.671 ( 0.665 -2.266 0.891) 2.524 9.919 ( -1.506 4.080 -0.810) 4.424 10.361 ( -2.245 0.087 -0.589) 2.322 10.423 ( 2.399 -5.299 0.626) 5.851 10.649 ( 0.046 1.067 -0.199) 1.087 10.817 ( 0.125 -2.464 0.537) 2.525 11.014 ( -0.446 -0.055 -1.319) 1.394 11.104 ( 0.013 -1.304 -0.318) 1.342 13.581 ( -0.005 -0.361 -0.992) 1.056 13.706 ( -0.779 -1.772 -0.993) 2.176 ======================= Grid point 132 (66/116) ======================= q-point: (-0.38 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 6.24e-05 6.24e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.055 ( -16.281 10.658 -3.674) 19.803 1.311 ( -16.111 1.557 7.096) 17.673 1.799 ( 7.972 1.568 1.611) 8.283 1.959 ( -3.808 6.674 -3.459) 8.427 2.042 ( -0.076 -1.166 0.219) 1.189 2.170 ( 0.066 0.927 -0.265) 0.967 2.347 ( -7.065 6.023 -3.266) 9.841 2.431 ( -3.283 2.431 -7.092) 8.184 2.537 ( 7.267 4.411 1.868) 8.703 2.723 ( 4.825 5.994 -0.196) 7.698 2.913 ( -8.884 1.630 0.405) 9.042 3.000 ( -0.395 -0.136 1.100) 1.176 3.145 ( -2.833 -0.457 0.645) 2.942 3.478 ( 1.032 -9.015 1.513) 9.199 3.573 ( -4.163 -5.801 0.610) 7.166 3.897 ( 12.441 2.347 1.164) 12.714 4.064 ( 0.672 6.239 -3.440) 7.156 4.307 ( 0.907 1.286 -1.734) 2.342 4.557 ( -4.060 -4.999 3.240) 7.209 4.756 ( 0.703 -2.672 0.709) 2.853 4.791 ( -0.723 -7.680 0.249) 7.718 5.240 ( -0.786 15.673 0.340) 15.696 5.572 ( -3.844 -9.728 -0.733) 10.485 6.397 ( 2.038 -3.347 1.863) 4.339 7.414 ( 7.970 4.447 0.718) 9.155 8.307 ( -7.680 -3.252 0.139) 8.341 8.644 ( 1.270 -0.471 0.212) 1.371 8.752 ( -4.517 3.360 -0.821) 5.689 8.825 ( 2.199 1.656 0.597) 2.817 8.859 ( 0.221 2.599 -0.377) 2.636 9.443 ( -6.366 2.312 0.089) 6.773 9.539 ( -0.835 -3.680 -1.068) 3.922 9.675 ( -0.814 -2.987 0.680) 3.170 9.944 ( 4.500 4.653 -0.219) 6.477 10.276 ( -4.655 -2.755 0.099) 5.410 10.527 ( 6.438 -2.603 -0.195) 6.947 10.685 ( 3.638 1.012 -0.195) 3.782 10.840 ( 1.627 -3.007 0.368) 3.439 10.978 ( -2.190 0.484 -0.814) 2.386 11.098 ( -0.309 -1.327 -0.277) 1.391 13.572 ( -0.214 -0.299 -1.075) 1.136 13.684 ( -0.932 -1.550 -0.461) 1.866 ======================= Grid point 133 (67/116) ======================= q-point: (-0.25 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 6.24e-05 6.24e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.824 ( -9.184 11.291 11.254) 18.398 1.051 ( -17.316 3.612 11.120) 20.894 1.835 ( -2.763 7.840 -5.918) 10.204 1.946 ( -4.371 3.808 4.745) 7.492 1.995 ( -5.098 6.308 3.366) 8.782 2.098 ( -9.191 1.100 -2.895) 9.699 2.170 ( 0.479 0.590 -1.633) 1.801 2.341 ( -0.596 3.804 -1.657) 4.192 2.669 ( 6.518 -2.625 -2.189) 7.360 2.782 ( -4.057 -0.038 0.009) 4.057 2.855 ( 3.129 1.136 -1.319) 3.581 2.992 ( 0.865 0.447 1.072) 1.448 3.165 ( 4.004 2.656 0.699) 4.856 3.424 ( -8.367 -5.665 1.198) 10.175 3.565 ( 5.089 -5.886 -0.705) 7.813 4.046 ( 2.348 0.850 -0.069) 2.498 4.068 ( 1.954 6.611 -2.533) 7.344 4.344 ( 2.271 2.822 0.238) 3.630 4.493 ( -4.712 -8.379 2.789) 10.010 4.763 ( -1.551 -4.128 0.681) 4.462 4.813 ( 5.055 -3.984 -0.429) 6.450 5.216 ( -1.536 14.952 -0.577) 15.042 5.471 ( -6.012 -8.204 -0.640) 10.191 6.414 ( -0.230 -3.690 -2.056) 4.231 7.618 ( 12.490 2.951 0.619) 12.849 8.124 ( -10.139 0.457 -0.993) 10.198 8.596 ( -6.939 1.062 -0.898) 7.077 8.712 ( 0.969 -0.422 0.592) 1.211 8.844 ( -0.171 -0.501 0.324) 0.621 8.893 ( 2.698 3.777 0.432) 4.662 9.302 ( -7.993 2.490 0.353) 8.379 9.518 ( -0.675 -3.451 -0.073) 3.518 9.653 ( -1.509 -2.751 -0.189) 3.143 10.071 ( 8.048 4.264 1.127) 9.177 10.200 ( -3.506 -4.035 0.400) 5.361 10.641 ( 5.551 -1.323 -0.596) 5.738 10.761 ( 3.852 0.674 -0.353) 3.927 10.850 ( -1.719 -3.197 0.130) 3.632 10.951 ( 0.651 0.857 -0.137) 1.085 11.089 ( -0.543 -1.276 -0.222) 1.405 13.558 ( -0.347 -0.011 -0.844) 0.913 13.668 ( -0.786 -1.168 0.817) 1.628 ======================= Grid point 134 (68/116) ======================= q-point: (-0.12 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 6.24e-05 6.24e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.842 ( -10.241 3.659 17.023) 20.200 0.898 ( -0.701 9.534 18.672) 20.977 1.655 ( -16.640 14.972 10.256) 24.622 1.779 ( -4.409 6.274 -1.911) 7.903 1.924 ( -2.699 3.880 -6.370) 7.932 2.101 ( 4.017 -1.220 0.411) 4.218 2.169 ( 0.455 0.450 -0.764) 0.997 2.348 ( 0.472 2.230 0.213) 2.290 2.717 ( -1.685 -5.221 -0.385) 5.500 2.797 ( -2.711 -1.843 0.254) 3.288 2.806 ( 7.115 -6.051 -3.311) 9.909 3.061 ( 2.809 2.218 0.526) 3.618 3.248 ( 1.013 8.288 -1.133) 8.426 3.314 ( -0.668 -6.054 1.039) 6.179 3.668 ( 5.471 -7.010 -0.901) 8.938 4.033 ( -2.360 1.278 -0.176) 2.690 4.094 ( 2.669 7.531 -3.074) 8.561 4.351 ( -1.467 2.686 0.718) 3.143 4.424 ( -4.420 -7.710 2.082) 9.128 4.726 ( -2.608 -3.567 0.191) 4.423 4.932 ( 6.079 -3.759 -0.234) 7.151 5.180 ( -1.509 13.588 -1.128) 13.718 5.359 ( -4.779 -7.311 -0.519) 8.750 6.362 ( -2.403 -3.587 -4.903) 6.533 7.831 ( 5.718 0.247 -0.224) 5.728 7.983 ( 0.019 4.635 -0.603) 4.674 8.433 ( -8.969 0.931 -0.929) 9.065 8.740 ( 1.129 -1.663 0.876) 2.192 8.836 ( -0.877 -1.429 0.069) 1.678 8.939 ( 1.654 3.975 0.309) 4.316 9.177 ( -5.010 2.774 0.564) 5.755 9.525 ( 1.182 -3.806 1.237) 4.173 9.624 ( -1.101 -2.400 -0.567) 2.700 10.147 ( -1.899 -4.804 0.449) 5.185 10.241 ( 7.434 3.633 1.848) 8.478 10.711 ( 1.649 -0.736 -0.825) 1.985 10.770 ( -2.019 -0.335 0.134) 2.051 10.843 ( 1.799 -1.316 -0.165) 2.235 10.980 ( 1.700 0.321 -0.449) 1.787 11.077 ( -0.533 -1.121 0.073) 1.243 13.561 ( 1.144 0.045 0.389) 1.209 13.671 ( 0.117 -0.998 1.866) 2.119 ======================= Grid point 135 (69/116) ======================= q-point: ( 0.00 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 6.24e-05 6.24e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( 2.741 15.158 8.438) 17.564 1.267 ( 4.469 8.572 13.119) 16.296 1.662 ( -2.039 -1.619 -4.783) 5.446 1.888 ( -5.549 14.125 6.730) 16.601 2.013 ( -0.705 -2.004 -8.577) 8.836 2.065 ( 5.682 0.801 -3.662) 6.807 2.262 ( 3.312 2.813 2.160) 4.852 2.387 ( -2.250 2.936 1.514) 3.997 2.540 ( -1.142 -2.576 0.853) 2.944 2.791 ( 4.198 -1.401 -2.727) 5.198 2.870 ( 0.997 1.234 2.259) 2.760 2.984 ( -0.338 -10.799 0.500) 10.816 3.157 ( 0.433 -1.519 0.526) 1.665 3.466 ( -0.731 -13.245 -0.362) 13.270 3.582 ( -1.846 16.526 1.723) 16.718 4.040 ( -1.151 2.075 1.135) 2.630 4.230 ( 0.626 -3.816 0.718) 3.933 4.343 ( 2.973 9.113 -1.788) 9.751 4.438 ( -0.119 3.962 -0.795) 4.043 4.637 ( -1.874 -0.732 1.324) 2.408 4.867 ( -0.770 -6.788 -0.693) 6.867 5.050 ( -0.374 -15.408 0.387) 15.418 5.458 ( -0.280 14.202 -3.303) 14.584 6.165 ( -2.518 -6.600 -5.427) 8.908 7.882 ( -0.327 4.592 -0.928) 4.696 8.190 ( -4.006 6.102 0.106) 7.300 8.277 ( 3.406 -3.065 -0.667) 4.631 8.637 ( -0.085 -7.358 0.608) 7.384 8.872 ( 0.717 4.246 0.116) 4.308 9.060 ( 0.421 4.515 0.302) 4.545 9.241 ( 0.219 6.766 0.453) 6.785 9.451 ( 0.851 -4.429 0.260) 4.517 9.535 ( -0.281 -4.515 -0.351) 4.538 9.977 ( 0.063 -9.066 0.125) 9.067 10.438 ( 0.088 5.637 1.195) 5.763 10.675 ( 0.363 -0.755 -0.156) 0.852 10.760 ( 0.612 -1.721 -0.038) 1.827 10.802 ( -0.130 -3.697 -0.279) 3.710 11.009 ( -0.146 1.059 -0.407) 1.143 11.051 ( 0.246 -1.004 0.433) 1.121 13.587 ( 0.917 0.073 0.421) 1.012 13.663 ( 0.744 -1.838 1.369) 2.410 ======================= Grid point 136 (70/116) ======================= q-point: ( 0.12 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 6.24e-05 6.24e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.217 ( 7.162 14.336 7.281) 17.602 1.461 ( 6.722 7.679 9.711) 14.087 1.652 ( 2.576 -1.270 -2.320) 3.692 1.907 ( 4.436 12.597 2.837) 13.653 1.963 ( 2.192 -2.464 -7.735) 8.408 2.099 ( -0.368 2.394 -4.612) 5.210 2.346 ( 5.178 1.276 0.909) 5.410 2.398 ( 1.868 1.716 1.201) 2.807 2.543 ( -0.394 -0.025 0.841) 0.929 2.815 ( 1.319 1.587 0.007) 2.063 2.936 ( 4.977 -3.148 -0.955) 5.966 2.990 ( -0.119 -8.443 0.519) 8.460 3.183 ( 1.454 -3.397 1.078) 3.850 3.425 ( -3.798 -6.491 0.296) 7.526 3.502 ( -6.888 10.996 1.584) 13.071 4.047 ( 1.374 0.280 0.582) 1.518 4.268 ( 2.975 -2.563 -0.097) 3.928 4.376 ( 1.015 8.744 -1.411) 8.915 4.430 ( 0.882 1.407 -0.956) 1.917 4.620 ( -1.082 -0.513 2.542) 2.809 4.784 ( -7.502 -5.227 -0.498) 9.157 5.102 ( 4.845 -14.565 0.229) 15.352 5.445 ( 1.167 13.454 -2.799) 13.792 6.094 ( -1.174 -5.712 -3.328) 6.714 7.857 ( -4.488 3.697 -0.136) 5.816 8.033 ( -4.424 2.550 -0.059) 5.107 8.448 ( 9.410 0.479 -0.574) 9.440 8.652 ( 1.310 -6.405 0.650) 6.570 8.892 ( 1.324 4.516 -0.259) 4.713 9.056 ( -0.907 4.623 0.184) 4.714 9.288 ( 4.344 6.243 0.160) 7.607 9.466 ( 0.730 -4.487 -0.303) 4.556 9.533 ( 0.368 -4.459 -0.223) 4.480 10.007 ( 2.942 -8.849 0.124) 9.326 10.368 ( -6.683 5.385 0.902) 8.629 10.678 ( -2.501 -1.373 -0.849) 2.976 10.772 ( 2.031 -1.969 0.320) 2.847 10.797 ( -0.761 -2.401 -0.098) 2.521 10.992 ( -1.024 1.283 -0.117) 1.646 11.057 ( 0.125 -1.271 0.168) 1.288 13.598 ( 0.102 -0.061 -0.044) 0.127 13.684 ( 0.567 -2.403 0.533) 2.526 ======================= Grid point 137 (71/116) ======================= q-point: ( 0.25 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 6.24e-05 6.24e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.394 ( 5.700 10.541 6.453) 13.611 1.636 ( 3.154 7.257 8.524) 11.631 1.699 ( 5.807 0.490 -2.717) 6.430 1.998 ( 5.307 0.038 -8.241) 9.802 2.006 ( -2.619 1.599 -1.846) 3.581 2.079 ( 10.252 5.854 -1.686) 11.925 2.376 ( -2.732 4.391 0.334) 5.183 2.486 ( 5.811 2.890 -1.198) 6.600 2.549 ( 2.649 -0.089 -0.563) 2.710 2.875 ( 3.624 2.602 0.688) 4.514 2.958 ( -0.383 0.294 -2.426) 2.474 3.021 ( 0.826 -4.681 0.477) 4.777 3.200 ( -1.720 -5.938 0.686) 6.220 3.344 ( -2.876 7.085 4.013) 8.635 3.408 ( -2.919 -4.966 -0.874) 5.826 4.089 ( 2.471 -1.226 -1.553) 3.166 4.316 ( -0.238 0.265 1.599) 1.639 4.350 ( -0.282 1.644 -3.371) 3.761 4.482 ( 4.014 2.522 -0.162) 4.743 4.593 ( -9.034 -2.198 0.597) 9.316 4.645 ( -0.662 -1.266 3.040) 3.358 5.200 ( 4.907 -15.165 -0.097) 15.939 5.462 ( 2.246 13.202 -1.425) 13.467 6.085 ( 1.367 -5.228 0.241) 5.409 7.700 ( -9.748 5.877 0.567) 11.397 8.057 ( 4.187 -1.800 0.138) 4.560 8.590 ( 5.833 0.859 -0.290) 5.903 8.696 ( 2.872 -3.666 0.625) 4.699 8.914 ( 1.415 4.836 -0.995) 5.136 9.032 ( -1.682 4.912 -0.063) 5.192 9.389 ( 5.526 1.805 -0.344) 5.823 9.479 ( 1.285 -1.883 -0.517) 2.338 9.548 ( 1.552 -3.428 -0.024) 3.763 10.083 ( 4.897 -8.203 0.162) 9.555 10.237 ( -7.368 5.836 0.333) 9.405 10.584 ( -6.175 -2.293 -0.512) 6.607 10.756 ( -2.898 -0.353 -0.205) 2.926 10.800 ( -0.553 -2.743 0.187) 2.805 10.988 ( 1.018 0.798 -0.477) 1.379 11.062 ( 0.400 -1.632 -0.120) 1.684 13.593 ( -0.310 -0.005 -0.524) 0.609 13.688 ( -0.182 -2.617 -0.233) 2.634 ======================= Grid point 138 (72/116) ======================= q-point: ( 0.38 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 6.24e-05 6.24e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.506 ( 2.127 5.699 3.502) 7.019 1.676 ( -0.638 2.229 2.871) 3.690 1.834 ( 1.905 -1.587 0.230) 2.490 1.874 ( -0.975 8.774 -5.735) 10.527 2.125 ( -0.800 2.179 0.965) 2.513 2.149 ( 5.691 1.096 0.404) 5.809 2.403 ( 7.502 4.924 -4.521) 10.048 2.554 ( 3.215 4.474 -3.200) 6.372 2.595 ( 1.164 4.190 -1.571) 4.623 2.881 ( -2.975 5.054 -1.229) 5.992 2.923 ( -1.773 1.141 -0.776) 2.247 3.015 ( 0.413 -1.426 0.223) 1.501 3.187 ( 1.164 -8.022 0.338) 8.113 3.378 ( 1.651 -3.196 -1.299) 3.825 3.420 ( 5.266 0.578 4.439) 6.912 4.015 ( -12.218 4.456 -1.788) 13.128 4.247 ( -3.179 5.626 0.816) 6.513 4.350 ( 0.962 -0.811 -3.602) 3.815 4.505 ( 0.853 -10.909 -0.037) 10.942 4.555 ( 2.130 3.280 2.321) 4.548 4.680 ( 1.326 0.046 2.147) 2.524 5.269 ( 2.394 -18.004 -0.444) 18.168 5.506 ( 2.705 13.787 0.314) 14.053 6.142 ( 3.117 -5.424 2.940) 6.912 7.548 ( -6.258 8.272 0.550) 10.387 8.142 ( 3.830 -6.588 1.057) 7.693 8.661 ( 2.023 1.255 0.041) 2.381 8.761 ( 3.172 -0.455 0.409) 3.231 8.928 ( 1.044 5.156 -1.469) 5.462 8.995 ( -1.992 5.175 -0.540) 5.571 9.446 ( 1.408 -5.683 -1.375) 6.014 9.513 ( 1.664 -1.102 0.197) 2.006 9.606 ( 4.279 2.574 0.177) 4.997 10.109 ( -5.789 6.064 -0.341) 8.391 10.187 ( 5.806 -7.355 0.170) 9.372 10.454 ( -7.014 -2.396 -0.338) 7.420 10.696 ( -2.846 0.264 -0.177) 2.864 10.772 ( -1.803 -2.832 0.220) 3.364 11.009 ( 1.276 0.013 -1.025) 1.636 11.068 ( 0.356 -1.755 -0.333) 1.821 13.583 ( -0.247 -0.037 -0.753) 0.794 13.677 ( -0.616 -2.612 -0.643) 2.759 ======================= Grid point 139 (73/116) ======================= q-point: (-0.50 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 6.24e-05 6.24e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.485 ( -7.495 1.823 2.349) 8.064 1.631 ( -10.199 6.672 -7.194) 14.152 1.715 ( 1.200 3.541 5.087) 6.313 1.978 ( 6.293 3.549 -1.391) 7.357 2.070 ( -3.194 -0.713 4.680) 5.711 2.311 ( 5.629 1.985 -0.692) 6.009 2.413 ( -2.781 4.285 -5.294) 7.357 2.570 ( 3.174 8.256 -2.741) 9.260 2.620 ( 3.727 6.789 -4.466) 8.940 2.835 ( -1.344 4.951 -0.508) 5.155 2.910 ( 0.526 -2.025 0.920) 2.286 3.012 ( -0.649 -3.156 -0.558) 3.270 3.206 ( 0.382 -11.574 0.439) 11.588 3.400 ( -0.165 -9.836 -0.971) 9.885 3.553 ( -3.778 16.335 2.258) 16.918 3.765 ( -0.950 4.688 1.205) 4.933 4.218 ( -0.865 5.597 -0.954) 5.743 4.333 ( -0.192 -0.216 -2.434) 2.451 4.523 ( -0.785 -10.092 0.024) 10.122 4.602 ( 1.323 0.044 2.042) 2.433 4.714 ( 0.924 -0.056 1.039) 1.392 5.286 ( 0.040 -20.103 -0.691) 20.115 5.556 ( 1.762 14.632 0.990) 14.771 6.227 ( 3.154 -5.960 3.274) 7.496 7.489 ( -0.206 9.338 0.545) 9.356 8.199 ( 1.013 -9.475 1.446) 9.639 8.676 ( -0.305 2.659 -0.071) 2.677 8.805 ( 0.673 -0.018 0.608) 0.907 8.935 ( 0.889 5.259 -1.313) 5.493 8.948 ( -2.329 5.667 -1.103) 6.226 9.446 ( -0.103 -5.909 -1.526) 6.104 9.533 ( 0.251 -3.158 0.488) 3.205 9.659 ( 0.064 4.659 0.175) 4.663 10.036 ( -0.938 6.446 -0.665) 6.548 10.269 ( -1.303 -8.402 0.473) 8.515 10.359 ( 1.366 -1.287 -0.650) 1.986 10.665 ( 0.106 0.506 -0.218) 0.561 10.755 ( -0.043 -3.055 0.254) 3.066 11.011 ( -0.317 -0.117 -1.061) 1.114 11.069 ( -0.029 -1.833 -0.399) 1.876 13.574 ( -0.101 -0.113 -0.783) 0.797 13.659 ( -0.688 -2.462 -0.661) 2.640 ======================= Grid point 140 (74/116) ======================= q-point: (-0.38 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 6.24e-05 6.24e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.278 ( -14.539 7.489 2.987) 16.625 1.398 ( -11.391 9.348 1.003) 14.770 1.805 ( 4.476 -2.123 2.417) 5.512 2.050 ( -2.732 -0.667 2.676) 3.882 2.082 ( 5.708 5.930 -0.794) 8.269 2.234 ( -4.801 5.948 -4.390) 8.815 2.431 ( 2.974 2.632 -6.690) 7.780 2.492 ( -7.109 1.788 -3.744) 8.231 2.683 ( -0.144 7.841 3.166) 8.457 2.831 ( 1.687 2.665 -3.178) 4.478 2.910 ( -2.502 -2.177 1.651) 3.705 3.007 ( 0.248 -0.605 -0.694) 0.954 3.211 ( -1.310 -9.115 0.117) 9.209 3.280 ( -6.049 5.939 3.021) 8.999 3.448 ( -1.670 -1.325 0.318) 2.155 3.965 ( 10.865 4.599 0.237) 11.800 4.201 ( 0.365 5.844 -1.433) 6.028 4.318 ( -0.114 -1.721 -0.541) 1.807 4.478 ( -2.979 -3.503 0.502) 4.625 4.626 ( 0.033 -4.077 1.783) 4.450 4.729 ( 0.457 -0.703 0.071) 0.842 5.265 ( -1.757 -18.945 -0.611) 19.036 5.574 ( -0.344 15.333 -0.009) 15.337 6.291 ( 1.713 -6.589 1.151) 6.905 7.551 ( 6.189 8.369 0.663) 10.429 8.192 ( -2.720 -7.717 0.735) 8.215 8.655 ( -1.699 1.576 0.047) 2.318 8.777 ( -4.225 -0.496 0.207) 4.259 8.901 ( -1.355 4.651 -1.099) 4.967 8.954 ( 1.832 6.035 -0.371) 6.318 9.421 ( -1.681 -5.325 -1.168) 5.704 9.520 ( -2.330 0.047 0.215) 2.341 9.616 ( -3.431 0.998 0.236) 3.581 10.071 ( 4.602 6.714 -0.197) 8.142 10.174 ( -5.883 -6.649 0.199) 8.880 10.468 ( 7.451 -3.248 -0.460) 8.141 10.698 ( 3.186 0.199 -0.241) 3.201 10.771 ( 1.284 -3.092 0.207) 3.354 10.986 ( -1.454 0.292 -0.663) 1.624 11.062 ( -0.334 -1.941 -0.312) 1.994 13.567 ( -0.106 -0.033 -0.756) 0.764 13.643 ( -0.595 -2.131 -0.173) 2.219 ======================= Grid point 141 (75/116) ======================= q-point: (-0.25 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 6.24e-05 6.24e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( -10.541 11.119 7.691) 17.144 1.218 ( -10.497 12.578 7.795) 18.142 1.899 ( 4.312 -6.075 -0.307) 7.456 1.981 ( -5.459 0.993 -0.926) 5.625 2.139 ( -2.392 5.582 -3.990) 7.267 2.161 ( 1.669 3.776 -2.133) 4.647 2.241 ( -11.482 7.416 -1.564) 13.758 2.454 ( 0.414 5.318 -1.487) 5.538 2.683 ( -0.110 3.771 1.532) 4.072 2.732 ( -8.420 -3.619 -2.380) 9.469 2.851 ( -3.794 1.805 1.939) 4.627 3.018 ( 0.995 -1.860 0.302) 2.131 3.195 ( -1.277 -9.452 0.513) 9.551 3.350 ( 7.154 4.468 2.187) 8.713 3.449 ( 2.391 1.048 -0.653) 2.691 4.066 ( 0.874 1.824 0.225) 2.035 4.219 ( 2.435 5.848 -2.590) 6.844 4.302 ( -2.405 -6.675 2.097) 7.399 4.459 ( -0.023 4.883 0.213) 4.887 4.651 ( 0.798 -4.990 2.459) 5.620 4.749 ( 3.076 -2.246 -1.232) 4.003 5.206 ( -4.230 -16.326 -0.472) 16.871 5.547 ( -1.659 15.546 -1.678) 15.724 6.300 ( -0.421 -7.084 -2.227) 7.437 7.714 ( 10.064 6.079 0.522) 11.769 8.117 ( -4.728 -1.814 -0.464) 5.085 8.605 ( -5.017 -0.175 -0.246) 5.026 8.678 ( -4.495 -2.504 0.426) 5.162 8.878 ( -0.739 3.728 -0.486) 3.831 8.995 ( 2.352 5.338 0.195) 5.836 9.358 ( -4.683 -0.465 0.018) 4.706 9.462 ( -2.530 1.553 -0.190) 2.975 9.572 ( -1.526 -4.210 -0.069) 4.479 10.072 ( -4.749 -7.905 0.264) 9.225 10.192 ( 7.448 6.811 0.621) 10.112 10.600 ( 6.642 -3.040 -0.601) 7.329 10.761 ( 3.181 -0.746 -0.307) 3.281 10.782 ( -0.981 -2.470 0.241) 2.668 10.967 ( 0.338 0.733 -0.176) 0.826 11.054 ( -0.347 -1.893 -0.178) 1.933 13.561 ( -0.014 0.325 -0.438) 0.546 13.637 ( -0.309 -1.713 0.741) 1.892 ======================= Grid point 142 (76/116) ======================= q-point: (-0.12 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 6.24e-05 6.24e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.004 ( -3.918 12.084 10.656) 16.581 1.152 ( -3.260 13.483 12.445) 18.636 1.803 ( -8.532 -1.853 -4.452) 9.800 1.986 ( 4.765 -2.400 -2.881) 6.064 2.002 ( -9.732 9.767 3.616) 14.254 2.085 ( -0.094 0.791 -8.800) 8.836 2.203 ( -0.092 6.581 4.460) 7.950 2.434 ( -2.837 6.038 0.840) 6.724 2.593 ( -4.593 -4.968 -0.472) 6.783 2.718 ( 4.214 -0.076 -2.209) 4.759 2.834 ( 0.295 3.452 2.734) 4.413 3.011 ( -1.934 -8.718 0.514) 8.945 3.163 ( -1.454 -4.812 0.359) 5.040 3.455 ( 2.459 -10.947 -0.192) 11.221 3.537 ( 5.122 15.692 0.991) 16.537 4.060 ( -1.237 1.934 0.644) 2.385 4.230 ( -0.335 -2.098 -0.193) 2.134 4.299 ( 1.644 3.322 0.461) 3.735 4.449 ( -0.574 5.378 -0.651) 5.448 4.658 ( -1.187 -2.819 1.279) 3.315 4.830 ( 4.690 -5.269 -0.783) 7.097 5.110 ( -5.126 -15.226 -0.126) 16.066 5.499 ( -1.471 15.039 -2.944) 15.395 6.249 ( -2.094 -7.114 -4.895) 8.885 7.878 ( 4.287 4.139 -0.474) 5.978 8.072 ( 3.647 3.190 -0.510) 4.872 8.444 ( -10.406 0.040 -0.634) 10.426 8.643 ( -0.998 -6.540 0.884) 6.675 8.867 ( -0.152 3.858 -0.086) 3.862 9.037 ( 1.712 4.677 0.332) 4.991 9.272 ( -3.795 5.009 0.637) 6.316 9.439 ( -0.093 -2.371 0.211) 2.382 9.548 ( -0.864 -4.661 -0.349) 4.753 10.002 ( -2.770 -8.699 0.205) 9.131 10.344 ( 7.344 5.884 1.187) 9.485 10.691 ( 2.320 -1.469 -0.903) 2.891 10.742 ( -1.830 -2.326 0.684) 3.038 10.800 ( 1.087 -2.129 -0.352) 2.417 10.993 ( 1.899 0.729 -0.245) 2.049 11.048 ( -0.164 -1.378 0.102) 1.391 13.566 ( 0.733 0.500 0.311) 0.940 13.643 ( 0.178 -1.516 1.443) 2.100 ======================= Grid point 143 (77/116) ======================= q-point: ( 0.00 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 6.24e-05 6.24e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.391 ( 2.745 13.065 5.241) 14.342 1.480 ( 4.285 13.144 2.352) 14.024 1.582 ( -1.867 -5.960 1.408) 6.403 1.798 ( 5.279 -13.863 -5.727) 15.901 2.091 ( -1.428 4.714 0.355) 4.939 2.123 ( 2.639 1.276 -3.505) 4.569 2.338 ( -0.093 4.715 0.576) 4.751 2.458 ( 0.329 -4.058 1.967) 4.522 2.537 ( -2.050 6.945 -1.749) 7.449 2.703 ( -3.830 -9.274 -0.844) 10.069 2.855 ( 1.981 7.606 0.632) 7.885 2.985 ( 1.365 4.510 1.648) 4.992 3.077 ( 0.511 -6.630 2.185) 7.000 3.163 ( -0.155 -12.436 0.695) 12.457 3.958 ( -3.168 13.127 3.956) 14.072 4.089 ( -3.603 -1.043 2.860) 4.717 4.207 ( 3.966 9.478 -1.239) 10.349 4.494 ( 2.993 0.922 -2.639) 4.096 4.536 ( -1.174 4.437 -0.719) 4.645 4.628 ( 2.988 -1.710 1.120) 3.620 4.653 ( -4.168 -13.128 0.834) 13.799 4.736 ( -0.034 -8.401 -0.704) 8.431 5.747 ( -0.720 12.761 -4.681) 13.612 5.989 ( -1.528 -9.945 -5.371) 11.406 8.012 ( -0.981 7.259 -0.890) 7.379 8.165 ( -2.539 -6.557 -0.675) 7.063 8.331 ( 1.902 6.512 0.203) 6.787 8.477 ( 0.459 -7.348 0.421) 7.374 8.987 ( 0.871 6.198 0.259) 6.264 9.099 ( 0.667 -2.589 0.702) 2.764 9.321 ( 0.440 2.693 -0.292) 2.744 9.423 ( -0.053 -5.733 -0.288) 5.741 9.519 ( -0.024 10.166 -0.055) 10.167 9.757 ( 0.059 -11.329 -0.020) 11.329 10.566 ( -0.024 6.137 0.476) 6.156 10.670 ( 0.117 -0.959 -0.929) 1.341 10.696 ( 0.566 -2.759 1.075) 3.015 10.726 ( 0.184 -3.072 0.058) 3.078 11.027 ( 0.113 0.601 -0.038) 0.613 11.037 ( 0.225 -0.438 0.308) 0.581 13.598 ( 0.547 0.955 0.617) 1.262 13.626 ( 0.449 -1.577 0.998) 1.919 ======================= Grid point 144 (78/116) ======================= q-point: ( 0.12 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 6.24e-05 6.24e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.510 ( 5.827 10.046 3.933) 12.261 1.604 ( 4.830 6.211 0.428) 7.880 1.618 ( 5.632 0.184 2.708) 6.252 1.831 ( 3.460 -9.294 -6.608) 11.917 2.103 ( 2.398 4.806 -0.037) 5.371 2.139 ( 0.023 0.637 -3.489) 3.547 2.403 ( 6.739 6.204 2.563) 9.512 2.495 ( 1.391 5.528 -1.869) 5.999 2.553 ( 3.685 -1.144 -1.461) 4.126 2.656 ( 1.373 -13.201 1.641) 13.373 2.905 ( 2.742 6.345 0.278) 6.918 2.999 ( -0.756 2.568 0.608) 2.745 3.094 ( -0.682 -5.092 2.263) 5.614 3.167 ( 0.649 -11.487 -0.017) 11.505 3.869 ( -8.657 15.632 3.540) 18.217 4.044 ( -3.240 -2.218 2.463) 4.635 4.265 ( 3.214 5.121 -1.226) 6.169 4.430 ( -4.808 -2.991 -1.953) 5.990 4.542 ( 1.688 5.016 -0.628) 5.329 4.605 ( -0.213 -1.828 1.617) 2.450 4.689 ( -1.732 -2.534 -0.306) 3.084 4.774 ( 4.934 -12.595 0.249) 13.529 5.718 ( 0.872 11.907 -3.681) 12.493 5.940 ( 0.004 -8.932 -3.800) 9.707 7.957 ( -4.830 5.200 -0.020) 7.097 8.043 ( -5.920 -2.060 0.121) 6.269 8.464 ( 8.610 1.516 -0.361) 8.750 8.529 ( 4.435 -4.715 0.092) 6.473 9.008 ( 1.272 6.109 -0.176) 6.242 9.110 ( 0.146 -1.569 0.298) 1.604 9.328 ( 0.664 1.155 -0.539) 1.438 9.417 ( -0.268 -5.457 -0.207) 5.468 9.555 ( 3.774 10.242 -0.039) 10.915 9.792 ( 3.473 -11.144 -0.004) 11.673 10.492 ( -6.049 6.011 0.285) 8.533 10.611 ( -4.948 -4.916 -0.431) 6.988 10.741 ( 2.675 -0.018 0.351) 2.698 10.761 ( 1.168 -1.462 -0.044) 1.872 11.016 ( -0.978 0.930 0.004) 1.350 11.034 ( -0.517 -0.900 0.136) 1.047 13.607 ( 0.027 0.941 0.245) 0.972 13.638 ( 0.127 -1.864 0.535) 1.943 ======================= Grid point 145 (79/116) ======================= q-point: ( 0.25 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 6.24e-05 6.24e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.616 ( 2.999 8.430 -0.575) 8.966 1.696 ( 1.904 -0.680 2.318) 3.076 1.728 ( 5.144 4.067 1.479) 6.722 1.889 ( 7.173 -8.117 -3.440) 11.366 2.099 ( -1.197 5.417 0.633) 5.584 2.163 ( 1.954 0.201 1.072) 2.238 2.500 ( 2.640 5.740 -4.884) 7.986 2.565 ( 3.776 1.552 -3.925) 5.663 2.583 ( 7.762 5.779 0.287) 9.681 2.792 ( 7.163 -12.115 2.605) 14.314 2.940 ( -0.485 3.261 1.044) 3.458 2.980 ( -0.440 0.577 -0.858) 1.124 3.082 ( -1.297 -2.432 0.547) 2.810 3.189 ( 1.733 -9.800 -1.105) 10.013 3.728 ( -6.906 18.441 3.006) 19.919 4.008 ( -1.295 -7.595 1.332) 7.819 4.309 ( 2.376 1.473 -1.661) 3.251 4.355 ( -1.913 -1.282 -1.087) 2.547 4.564 ( -1.074 4.064 -1.432) 4.441 4.615 ( -2.584 2.758 2.353) 4.452 4.639 ( 0.805 1.022 1.062) 1.679 4.842 ( 1.590 -16.153 0.073) 16.231 5.730 ( 2.320 11.526 -1.477) 11.850 5.941 ( 1.927 -8.392 -0.833) 8.650 7.842 ( -6.438 7.141 0.587) 9.633 7.981 ( -1.833 -5.431 0.559) 5.759 8.605 ( 6.250 0.788 -0.186) 6.302 8.634 ( 6.364 -2.100 0.019) 6.701 9.029 ( 1.260 5.647 -0.924) 5.859 9.108 ( -0.456 0.220 -0.252) 0.566 9.338 ( 0.876 -0.604 -0.862) 1.369 9.412 ( -0.063 -5.517 -0.120) 5.519 9.651 ( 6.101 10.270 0.013) 11.946 9.880 ( 5.618 -10.659 0.058) 12.049 10.372 ( -6.592 6.593 -0.016) 9.323 10.502 ( -6.267 -5.364 -0.315) 8.255 10.750 ( -1.917 0.007 -0.097) 1.920 10.761 ( -1.057 -1.055 -0.014) 1.494 11.006 ( 0.255 0.928 -0.340) 1.021 11.029 ( 0.177 -1.347 -0.210) 1.374 13.603 ( -0.406 1.010 -0.233) 1.113 13.637 ( -0.382 -2.095 -0.069) 2.131 ======================= Grid point 146 (80/116) ======================= q-point: ( 0.38 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 6.24e-05 6.24e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.618 ( -1.585 4.208 -1.562) 4.760 1.681 ( -2.128 -1.701 -0.280) 2.739 1.857 ( 4.245 4.932 3.061) 7.191 1.974 ( 2.459 -2.608 -0.407) 3.608 2.145 ( -0.345 1.435 3.168) 3.495 2.161 ( 2.740 0.653 1.112) 3.028 2.538 ( 4.539 6.416 -5.806) 9.771 2.616 ( 4.836 -0.105 -5.335) 7.201 2.691 ( 3.007 6.968 0.338) 7.597 2.885 ( -0.356 -5.239 2.527) 5.828 2.940 ( 1.861 -4.760 0.892) 5.188 2.957 ( -1.604 -3.417 -0.117) 3.777 3.042 ( -2.645 4.579 -2.646) 5.913 3.196 ( 0.176 -9.112 -2.447) 9.437 3.730 ( 5.811 18.140 2.073) 19.161 4.024 ( 1.324 -7.612 -0.499) 7.742 4.316 ( -0.174 0.428 -2.247) 2.294 4.334 ( -0.248 0.496 -0.306) 0.633 4.436 ( -8.596 8.804 1.603) 12.408 4.637 ( 1.430 2.458 1.180) 3.079 4.679 ( 1.556 -0.780 0.818) 1.924 4.836 ( -1.662 -20.181 -0.474) 20.255 5.780 ( 3.068 11.676 0.722) 12.094 5.994 ( 3.119 -8.549 1.664) 9.251 7.748 ( -3.771 10.253 0.648) 10.944 7.965 ( -0.576 -9.768 0.935) 9.830 8.699 ( 3.753 2.123 0.121) 4.314 8.740 ( 4.340 -1.554 0.254) 4.616 9.038 ( 0.622 4.944 -1.508) 5.206 9.090 ( -0.990 1.832 -0.740) 2.211 9.347 ( 0.821 -1.521 -1.121) 2.061 9.413 ( 0.193 -5.757 -0.068) 5.761 9.768 ( 5.771 10.123 0.056) 11.653 9.991 ( 5.669 -10.297 0.116) 11.755 10.253 ( -5.519 6.680 -0.395) 8.674 10.379 ( -6.196 -4.888 -0.406) 7.902 10.702 ( -2.434 0.508 -0.145) 2.491 10.724 ( -2.151 -1.618 -0.013) 2.691 11.014 ( 0.713 0.540 -0.767) 1.178 11.034 ( 0.407 -1.347 -0.517) 1.499 13.592 ( -0.455 0.960 -0.520) 1.182 13.625 ( -0.601 -2.108 -0.450) 2.238 ======================= Grid point 147 (81/116) ======================= q-point: (-0.50 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 6.24e-05 6.24e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.545 ( -5.407 3.865 0.056) 6.647 1.630 ( -2.789 -3.526 -1.185) 4.649 1.868 ( -5.044 7.846 3.502) 9.963 2.000 ( -1.684 -4.047 2.672) 5.134 2.145 ( 4.430 8.616 -0.365) 9.695 2.299 ( 7.177 -4.230 0.126) 8.332 2.518 ( -3.486 6.038 -3.338) 7.730 2.620 ( -2.208 -1.905 -3.402) 4.481 2.753 ( 3.591 4.325 0.190) 5.624 2.873 ( -1.334 -3.228 1.377) 3.755 2.925 ( -2.032 -1.430 0.582) 2.552 2.980 ( 1.037 -5.311 -0.191) 5.415 2.988 ( 0.700 6.210 -3.232) 7.035 3.181 ( 1.112 -10.140 -3.178) 10.685 3.899 ( 4.121 8.350 0.203) 9.314 3.970 ( -2.717 12.109 -0.678) 12.428 4.285 ( -1.279 0.647 -1.886) 2.369 4.313 ( -1.777 2.366 0.585) 3.016 4.373 ( 0.578 1.558 2.235) 2.785 4.665 ( 0.799 1.612 0.591) 1.894 4.695 ( -0.542 -4.113 1.052) 4.280 4.802 ( -0.464 -20.865 -1.395) 20.916 5.842 ( 2.401 12.179 1.342) 12.485 6.068 ( 2.852 -9.100 2.144) 9.774 7.716 ( -0.062 11.743 0.687) 11.763 7.970 ( 0.302 -11.842 1.060) 11.893 8.738 ( 0.089 2.945 0.183) 2.952 8.788 ( 0.314 -1.604 0.406) 1.684 9.029 ( -0.413 4.291 -1.591) 4.595 9.065 ( -0.718 2.676 -0.912) 2.917 9.349 ( 0.203 -1.436 -1.220) 1.895 9.417 ( 0.229 -6.033 -0.058) 6.037 9.833 ( -0.040 10.185 0.105) 10.186 10.056 ( -0.343 -10.000 0.178) 10.008 10.187 ( -0.366 5.975 -0.521) 6.008 10.302 ( 0.088 -4.226 -0.581) 4.267 10.676 ( 0.055 0.646 -0.187) 0.675 10.701 ( -0.036 -1.853 -0.018) 1.853 11.014 ( -0.222 0.457 -0.811) 0.957 11.033 ( -0.116 -1.382 -0.574) 1.501 13.581 ( -0.267 0.825 -0.558) 1.031 13.611 ( -0.487 -1.944 -0.484) 2.062 ======================= Grid point 148 (82/116) ======================= q-point: (-0.38 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 6.24e-05 6.24e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.431 ( -6.832 7.944 1.644) 10.606 1.558 ( -4.164 -0.347 -0.483) 4.206 1.785 ( -5.084 4.781 2.911) 7.561 1.953 ( -4.940 -7.645 2.313) 9.391 2.264 ( 6.268 9.700 0.646) 11.567 2.369 ( -3.216 4.667 -1.247) 5.804 2.442 ( 2.424 -1.845 -2.608) 4.010 2.491 ( -7.796 -2.067 -3.438) 8.768 2.759 ( -3.241 1.786 -0.396) 3.722 2.888 ( -1.616 -1.324 1.761) 2.732 2.898 ( 2.432 -0.966 -0.282) 2.632 2.951 ( -2.846 -6.242 0.062) 6.860 3.019 ( 1.495 5.053 -2.375) 5.780 3.194 ( 1.749 -9.045 -2.678) 9.594 3.772 ( -5.877 18.458 1.489) 19.429 4.043 ( 1.689 -4.388 -0.616) 4.742 4.253 ( -1.778 3.519 -0.315) 3.956 4.295 ( 0.265 2.248 -0.285) 2.282 4.446 ( 5.224 3.774 2.197) 6.809 4.650 ( -2.264 2.456 -0.167) 3.345 4.699 ( 0.101 -3.465 0.594) 3.517 4.813 ( 2.183 -20.279 -0.859) 20.414 5.876 ( 0.460 12.949 -0.033) 12.957 6.118 ( 1.212 -9.844 0.388) 9.926 7.758 ( 3.948 10.818 0.753) 11.541 7.991 ( 1.261 -10.769 0.880) 10.878 8.702 ( -3.884 2.562 -0.027) 4.653 8.751 ( -4.485 -1.870 0.073) 4.860 9.004 ( -1.054 4.804 -1.135) 5.047 9.057 ( 0.314 1.587 -0.477) 1.687 9.338 ( -0.449 -0.436 -1.063) 1.233 9.420 ( 0.128 -6.223 -0.102) 6.225 9.767 ( -5.871 9.963 0.073) 11.564 9.985 ( -5.843 -9.926 0.152) 11.519 10.233 ( 5.015 7.337 -0.293) 8.892 10.375 ( 6.375 -5.687 -0.399) 8.552 10.702 ( 2.502 0.377 -0.177) 2.536 10.721 ( 1.933 -1.568 -0.023) 2.489 10.996 ( -0.898 0.826 -0.532) 1.331 11.023 ( -0.505 -1.645 -0.406) 1.768 13.574 ( -0.059 0.790 -0.392) 0.884 13.601 ( -0.230 -1.716 -0.151) 1.737 ======================= Grid point 149 (83/116) ======================= q-point: (-0.25 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 6.24e-05 6.24e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.339 ( -3.700 13.960 2.076) 14.591 1.479 ( -5.338 7.971 4.460) 10.579 1.733 ( -1.357 -6.652 -0.365) 6.799 1.841 ( -8.525 -10.629 1.539) 13.713 2.245 ( -4.177 5.052 -4.115) 7.740 2.294 ( -8.541 1.580 -3.291) 9.289 2.370 ( 0.761 7.568 2.625) 8.046 2.495 ( 1.642 -2.483 -0.271) 2.989 2.678 ( -2.812 3.384 -3.878) 5.865 2.834 ( -3.768 -1.931 0.806) 4.310 2.900 ( -2.288 -2.063 0.487) 3.119 2.943 ( -2.975 7.613 0.690) 8.202 2.998 ( 1.998 -5.079 0.575) 5.488 3.187 ( -1.004 -11.626 -1.317) 11.744 3.793 ( 5.342 18.137 2.483) 19.070 4.064 ( 1.886 -7.192 0.713) 7.469 4.208 ( -2.919 4.824 0.661) 5.677 4.314 ( 2.540 -0.325 -1.237) 2.844 4.547 ( 2.557 3.225 0.796) 4.192 4.607 ( -2.075 0.734 1.052) 2.439 4.707 ( 1.302 -1.507 -0.755) 2.130 4.832 ( -0.633 -15.878 -0.297) 15.894 5.858 ( -1.300 13.565 -2.306) 13.821 6.114 ( -0.777 -10.506 -2.446) 10.814 7.868 ( 6.938 8.014 0.486) 10.612 8.028 ( 2.252 -6.443 0.209) 6.828 8.604 ( -6.176 0.520 -0.127) 6.200 8.630 ( -7.838 -1.805 -0.170) 8.045 8.981 ( -0.675 5.449 -0.423) 5.507 9.065 ( 0.557 -0.669 0.129) 0.880 9.323 ( -0.378 1.324 -0.630) 1.514 9.421 ( 0.128 -6.012 -0.184) 6.016 9.651 ( -6.024 9.980 0.030) 11.657 9.875 ( -5.552 -10.437 0.111) 11.822 10.347 ( 6.762 7.545 0.211) 10.134 10.498 ( 6.601 -6.363 -0.216) 9.171 10.744 ( 1.178 -0.171 0.042) 1.191 10.753 ( 1.145 -0.837 -0.152) 1.427 10.985 ( 0.353 1.090 -0.154) 1.156 11.014 ( 0.024 -1.683 -0.157) 1.690 13.574 ( 0.189 0.953 0.012) 0.971 13.601 ( 0.086 -1.551 0.438) 1.614 ======================= Grid point 150 (84/116) ======================= q-point: (-0.12 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 6.24e-05 6.24e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.331 ( 0.651 17.431 2.976) 17.695 1.435 ( -2.976 12.381 6.505) 14.299 1.676 ( -8.740 -9.532 1.555) 13.025 1.739 ( 3.637 -15.270 -3.961) 16.189 2.148 ( -4.381 3.368 -2.133) 5.924 2.152 ( -2.605 2.787 -3.648) 5.279 2.359 ( -2.536 6.460 1.708) 7.147 2.481 ( -2.907 -4.616 1.423) 5.638 2.608 ( -2.431 7.234 -3.733) 8.496 2.776 ( -2.685 -7.027 -1.263) 7.628 2.842 ( -2.357 7.499 1.520) 8.007 2.939 ( 1.538 6.348 1.722) 6.755 3.048 ( 1.345 -6.754 1.531) 7.055 3.163 ( -0.617 -14.350 0.376) 14.368 3.923 ( 4.145 15.346 3.451) 16.267 4.111 ( 0.768 -5.602 2.348) 6.123 4.165 ( -0.812 9.939 -0.342) 9.978 4.393 ( 7.155 -1.339 -2.223) 7.611 4.555 ( -0.292 3.372 -0.833) 3.485 4.592 ( -0.963 -2.945 2.026) 3.702 4.729 ( 0.753 -3.763 -0.880) 3.937 4.774 ( -5.072 -12.178 -0.042) 13.192 5.804 ( -1.686 13.489 -4.128) 14.207 6.061 ( -1.862 -10.603 -4.756) 11.769 7.992 ( 4.563 5.970 -0.471) 7.528 8.089 ( 5.293 -2.141 -0.481) 5.730 8.449 ( -9.510 1.107 -0.200) 9.576 8.512 ( -4.326 -4.937 0.419) 6.577 8.975 ( 0.160 5.902 0.138) 5.906 9.080 ( 0.713 -2.311 0.625) 2.498 9.317 ( 0.105 2.729 -0.278) 2.745 9.422 ( 0.195 -5.670 -0.260) 5.679 9.556 ( -3.735 9.950 -0.040) 10.628 9.789 ( -3.347 -11.042 0.041) 11.538 10.479 ( 6.604 6.585 0.560) 9.342 10.611 ( 5.471 -5.644 -0.162) 7.862 10.724 ( -2.892 0.760 0.289) 3.004 10.756 ( -1.090 -2.016 -0.125) 2.296 11.008 ( 1.652 0.675 0.009) 1.785 11.024 ( 0.819 -0.898 0.096) 1.219 13.583 ( 0.544 1.070 0.514) 1.305 13.610 ( 0.371 -1.492 0.940) 1.802 ======================= Grid point 175 (85/116) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 6.24e-05 6.24e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.070 ( -1.757 0.000 8.944) 9.115 1.202 ( -2.487 0.000 9.135) 9.467 1.568 ( 2.309 0.000 -4.976) 5.486 1.652 ( -0.029 0.000 -4.768) 4.768 1.848 ( -2.962 0.000 11.012) 11.404 2.088 ( -0.188 0.000 -0.923) 0.942 2.298 ( 2.726 0.000 5.539) 6.174 2.364 ( -0.160 0.000 1.286) 1.296 2.709 ( -1.556 0.000 -1.061) 1.884 2.740 ( 2.940 0.000 -10.705) 11.101 2.860 ( -0.192 0.000 1.371) 1.384 3.087 ( 1.960 0.000 -1.945) 2.761 3.094 ( 0.227 0.000 0.375) 0.439 3.431 ( -0.004 0.000 0.730) 0.731 3.795 ( -1.256 0.000 -0.175) 1.268 3.926 ( 0.920 0.000 -1.531) 1.786 3.961 ( 1.686 0.000 -0.448) 1.745 4.349 ( 0.520 0.000 0.040) 0.521 4.438 ( -1.719 0.000 1.033) 2.005 4.802 ( -0.372 0.000 0.903) 0.976 4.952 ( -0.494 0.000 -0.505) 0.706 5.031 ( -0.524 0.000 -0.139) 0.542 5.379 ( 0.052 0.000 -0.144) 0.153 6.225 ( -1.621 0.000 -1.965) 2.547 7.819 ( 0.194 0.000 -0.440) 0.481 7.999 ( -0.786 0.000 0.327) 0.851 8.299 ( 0.531 0.000 -0.454) 0.699 8.789 ( 0.448 0.000 0.568) 0.724 8.864 ( -0.520 0.000 -0.287) 0.593 8.892 ( 0.275 0.000 0.128) 0.303 9.117 ( -0.059 0.000 0.256) 0.263 9.618 ( -0.141 0.000 -0.348) 0.375 9.625 ( 0.643 0.000 0.060) 0.646 10.199 ( -0.020 0.000 0.227) 0.228 10.334 ( -0.074 0.000 1.153) 1.156 10.715 ( -0.150 0.000 -0.428) 0.454 10.749 ( 0.503 0.000 0.067) 0.507 10.878 ( 0.168 0.000 0.139) 0.218 10.975 ( -0.158 0.000 -0.256) 0.301 11.093 ( 0.044 0.000 0.141) 0.148 13.602 ( 0.649 0.000 -0.096) 0.656 13.734 ( 0.589 0.000 0.389) 0.705 ======================= Grid point 176 (86/116) ======================= q-point: ( 0.12 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 6.24e-05 6.24e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.155 ( 4.801 0.000 6.295) 7.917 1.293 ( 5.072 0.000 9.296) 10.589 1.583 ( 3.453 0.000 -6.011) 6.932 1.603 ( -2.069 0.000 -2.193) 3.015 1.930 ( 3.941 0.000 4.137) 5.714 2.090 ( 0.425 0.000 0.065) 0.430 2.320 ( -1.902 0.000 -1.053) 2.174 2.363 ( -0.949 0.000 -0.148) 0.961 2.714 ( 1.983 0.000 -7.055) 7.329 2.745 ( 3.471 0.000 2.347) 4.190 2.809 ( -2.704 0.000 -0.360) 2.728 3.047 ( -4.810 0.000 -0.223) 4.816 3.158 ( 5.181 0.000 -2.701) 5.842 3.432 ( 0.404 0.000 0.162) 0.435 3.702 ( -5.985 0.000 0.666) 6.022 3.933 ( 1.204 0.000 -2.108) 2.427 4.075 ( 7.890 0.000 -1.987) 8.136 4.342 ( -0.373 0.000 0.100) 0.387 4.494 ( 4.658 0.000 2.028) 5.080 4.810 ( 0.570 0.000 0.949) 1.107 4.940 ( -6.542 0.000 0.693) 6.579 4.950 ( -1.966 0.000 0.916) 2.169 5.428 ( 5.018 0.000 -0.175) 5.021 6.210 ( 0.246 0.000 2.114) 2.128 7.840 ( -13.043 0.000 0.840) 13.070 7.889 ( 7.288 0.000 -0.344) 7.297 8.403 ( 7.790 0.000 -0.443) 7.802 8.793 ( -0.067 0.000 -0.717) 0.721 8.853 ( -0.793 0.000 0.905) 1.203 8.903 ( 0.446 0.000 -0.407) 0.604 9.162 ( 4.821 0.000 0.172) 4.824 9.620 ( -0.587 0.000 -0.925) 1.096 9.621 ( 0.539 0.000 0.121) 0.553 10.219 ( 1.844 0.000 0.067) 1.845 10.259 ( -7.311 0.000 0.321) 7.319 10.687 ( -2.599 0.000 0.101) 2.601 10.787 ( 1.413 0.000 -0.416) 1.473 10.876 ( 0.902 0.000 -0.512) 1.037 10.957 ( -1.732 0.000 0.205) 1.744 11.096 ( 0.289 0.000 -0.040) 0.292 13.597 ( -0.528 0.000 -0.980) 1.113 13.742 ( 0.366 0.000 -0.780) 0.862 ======================= Grid point 177 (87/116) ======================= q-point: ( 0.25 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 6.24e-05 6.24e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.334 ( 9.781 0.000 5.099) 11.031 1.444 ( 4.255 0.000 -5.036) 6.593 1.562 ( -2.215 0.000 7.345) 7.672 1.616 ( 4.952 0.000 -6.782) 8.398 2.006 ( 2.901 0.000 0.404) 2.929 2.093 ( -0.336 0.000 0.632) 0.716 2.263 ( 0.010 0.000 -4.251) 4.251 2.339 ( -0.476 0.000 -1.977) 2.033 2.720 ( -0.030 0.000 1.173) 1.174 2.735 ( -9.800 0.000 2.285) 10.063 2.815 ( 6.485 0.000 -5.967) 8.812 2.992 ( 0.478 0.000 1.477) 1.553 3.205 ( 1.775 0.000 -2.634) 3.176 3.485 ( 5.869 0.000 0.067) 5.869 3.619 ( -2.900 0.000 0.488) 2.941 3.939 ( 1.140 0.000 -2.736) 2.964 4.138 ( -1.953 0.000 -3.171) 3.724 4.332 ( -1.623 0.000 0.273) 1.646 4.585 ( 2.362 0.000 2.911) 3.749 4.805 ( -3.827 0.000 1.595) 4.146 4.838 ( 1.677 0.000 1.053) 1.980 4.959 ( 0.324 0.000 1.361) 1.399 5.546 ( 7.001 0.000 -0.247) 7.005 6.264 ( 2.543 0.000 4.762) 5.399 7.588 ( -13.465 0.000 0.725) 13.484 8.069 ( 11.188 0.000 0.477) 11.199 8.539 ( 6.515 0.000 0.154) 6.517 8.770 ( -1.608 0.000 -1.656) 2.308 8.848 ( -0.629 0.000 1.281) 1.428 8.890 ( -1.207 0.000 -0.841) 1.472 9.289 ( 7.855 0.000 -0.040) 7.856 9.601 ( -0.388 0.000 -1.315) 1.371 9.641 ( 1.313 0.000 0.722) 1.499 10.101 ( -8.664 0.000 -0.776) 8.699 10.263 ( 2.873 0.000 -0.262) 2.885 10.622 ( -4.395 0.000 0.603) 4.436 10.749 ( -4.018 0.000 -0.155) 4.021 10.916 ( -2.739 0.000 0.562) 2.796 10.927 ( 3.968 0.000 -1.379) 4.201 11.103 ( 0.524 0.000 -0.161) 0.549 13.579 ( -0.354 0.000 -1.286) 1.334 13.737 ( -0.147 0.000 -1.236) 1.245 ======================= Grid point 178 (88/116) ======================= q-point: ( 0.38 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 6.24e-05 6.24e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.315 ( -5.606 0.000 -17.615) 18.485 1.559 ( 6.256 0.000 8.046) 10.192 1.620 ( -0.852 0.000 11.413) 11.445 1.681 ( 9.623 0.000 -9.085) 13.234 2.094 ( 0.542 0.000 0.413) 0.682 2.103 ( 4.900 0.000 3.333) 5.926 2.265 ( 2.891 0.000 -5.268) 6.009 2.320 ( 0.804 0.000 -3.964) 4.045 2.477 ( -16.254 0.000 0.531) 16.263 2.723 ( -0.671 0.000 2.285) 2.381 2.951 ( 10.457 0.000 -4.602) 11.425 3.017 ( -0.087 0.000 2.208) 2.210 3.204 ( 0.982 0.000 -1.911) 2.149 3.606 ( 1.085 0.000 -0.009) 1.085 3.631 ( 7.451 0.000 1.424) 7.586 3.906 ( -18.830 0.000 0.281) 18.832 3.934 ( 0.543 0.000 -3.374) 3.418 4.304 ( -0.741 0.000 -1.239) 1.444 4.641 ( 1.753 0.000 2.683) 3.204 4.829 ( 3.045 0.000 0.491) 3.084 4.883 ( 1.933 0.000 1.114) 2.231 4.974 ( 0.222 0.000 1.105) 1.127 5.662 ( 5.000 0.000 -0.316) 5.010 6.355 ( 3.046 0.000 4.633) 5.545 7.375 ( -8.878 0.000 0.470) 8.891 8.289 ( 10.700 0.000 1.455) 10.799 8.644 ( 4.260 0.000 0.629) 4.307 8.709 ( -3.712 0.000 -1.513) 4.008 8.843 ( -0.602 0.000 0.366) 0.704 8.854 ( -1.755 0.000 -1.051) 2.045 9.424 ( 5.905 0.000 -0.139) 5.907 9.590 ( 0.075 0.000 -1.096) 1.099 9.680 ( 1.989 0.000 1.324) 2.390 9.944 ( -6.720 0.000 -1.541) 6.894 10.318 ( 2.994 0.000 -0.578) 3.050 10.541 ( -4.344 0.000 0.846) 4.425 10.668 ( -3.797 0.000 -0.190) 3.802 10.873 ( -2.035 0.000 0.642) 2.134 10.978 ( 2.221 0.000 -1.273) 2.560 11.111 ( 0.341 0.000 -0.203) 0.397 13.569 ( 0.122 0.000 -0.972) 0.979 13.723 ( -0.393 0.000 -1.063) 1.133 ======================= Grid point 179 (89/116) ======================= q-point: (-0.50 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 6.24e-05 6.24e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.080 ( -7.801 0.000 -7.636) 10.916 1.602 ( -5.026 0.000 6.057) 7.871 1.700 ( 3.171 0.000 4.895) 5.832 1.823 ( 4.350 0.000 -5.356) 6.900 2.125 ( -1.495 0.000 0.330) 1.531 2.172 ( 0.561 0.000 2.087) 2.161 2.255 ( 1.116 0.000 -0.345) 1.168 2.270 ( 1.911 0.000 -6.691) 6.958 2.312 ( 0.349 0.000 -3.556) 3.573 2.728 ( -0.598 0.000 2.213) 2.292 3.026 ( -0.065 0.000 1.479) 1.480 3.038 ( -1.157 0.000 -1.034) 1.551 3.224 ( -2.363 0.000 -0.154) 2.368 3.613 ( -5.650 0.000 1.808) 5.932 3.667 ( 5.379 0.000 0.054) 5.380 3.730 ( 0.777 0.000 1.598) 1.777 3.911 ( -0.072 0.000 -3.274) 3.275 4.284 ( -0.364 0.000 -0.859) 0.933 4.675 ( -0.067 0.000 1.580) 1.582 4.871 ( 0.766 0.000 -0.377) 0.853 4.910 ( -0.191 0.000 0.947) 0.966 4.983 ( 0.286 0.000 0.394) 0.487 5.710 ( 0.144 0.000 -0.353) 0.382 6.425 ( 1.522 0.000 1.860) 2.403 7.290 ( -0.084 0.000 0.327) 0.338 8.440 ( 1.634 0.000 0.759) 1.802 8.630 ( -1.574 0.000 -0.500) 1.651 8.701 ( 1.149 0.000 -0.020) 1.149 8.818 ( -1.140 0.000 -0.237) 1.164 8.836 ( -0.033 0.000 -0.029) 0.044 9.484 ( -0.049 0.000 0.002) 0.049 9.584 ( -0.218 0.000 -0.531) 0.574 9.721 ( 0.874 0.000 1.066) 1.378 9.851 ( -1.263 0.000 -0.991) 1.605 10.346 ( -0.404 0.000 -0.306) 0.507 10.501 ( 0.502 0.000 0.374) 0.626 10.627 ( -0.035 0.000 -0.124) 0.129 10.858 ( 0.140 0.000 0.367) 0.393 10.990 ( -0.236 0.000 -0.642) 0.684 11.113 ( 0.008 0.000 -0.163) 0.163 13.565 ( 0.001 0.000 -0.586) 0.586 13.709 ( -0.403 0.000 -0.374) 0.550 ======================= Grid point 180 (90/116) ======================= q-point: (-0.38 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 6.24e-05 6.24e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.979 ( -3.447 0.000 11.151) 11.672 1.473 ( -14.516 0.000 9.708) 17.463 1.730 ( -4.401 0.000 -7.566) 8.753 1.799 ( 6.298 0.000 -2.711) 6.857 2.095 ( 0.306 0.000 0.442) 0.537 2.170 ( -3.205 0.000 0.633) 3.267 2.220 ( -2.984 0.000 -6.320) 6.989 2.273 ( -1.373 0.000 0.161) 1.382 2.487 ( 16.513 0.000 -0.361) 16.517 2.729 ( -1.424 0.000 3.558) 3.832 2.872 ( -12.106 0.000 0.640) 12.123 3.038 ( 0.287 0.000 0.513) 0.588 3.169 ( -1.097 0.000 1.047) 1.516 3.599 ( 0.303 0.000 0.617) 0.687 3.657 ( -8.209 0.000 -0.479) 8.223 3.899 ( 14.490 0.000 1.005) 14.525 3.905 ( 0.987 0.000 -1.284) 1.619 4.288 ( 1.294 0.000 0.263) 1.320 4.664 ( -1.660 0.000 0.551) 1.749 4.852 ( -1.479 0.000 -1.424) 2.053 4.888 ( -2.499 0.000 0.701) 2.595 4.990 ( 0.324 0.000 -0.340) 0.470 5.662 ( -4.741 0.000 -0.341) 4.754 6.431 ( -0.771 0.000 -2.104) 2.240 7.378 ( 8.824 0.000 0.247) 8.827 8.321 ( -10.775 0.000 -1.366) 10.862 8.667 ( -3.960 0.000 -1.419) 4.207 8.677 ( 3.358 0.000 1.261) 3.587 8.827 ( 1.412 0.000 1.306) 1.924 8.846 ( 1.008 0.000 0.111) 1.014 9.421 ( -6.109 0.000 0.150) 6.111 9.574 ( -0.565 0.000 0.270) 0.626 9.708 ( -1.881 0.000 -0.907) 2.088 9.906 ( 6.156 0.000 1.567) 6.352 10.306 ( -3.072 0.000 0.411) 3.100 10.558 ( 4.622 0.000 -0.566) 4.657 10.666 ( 3.807 0.000 0.012) 3.807 10.882 ( 2.206 0.000 -0.130) 2.210 10.961 ( -2.577 0.000 0.204) 2.585 11.109 ( -0.309 0.000 -0.069) 0.317 13.559 ( -0.359 0.000 -0.167) 0.396 13.704 ( -0.278 0.000 0.629) 0.688 ======================= Grid point 181 (91/116) ======================= q-point: (-0.25 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 6.24e-05 6.24e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( 0.381 0.000 20.509) 20.512 1.253 ( -14.950 0.000 10.541) 18.293 1.624 ( -1.914 0.000 -5.738) 6.049 1.846 ( -0.448 0.000 -10.092) 10.102 2.049 ( -3.860 0.000 -2.867) 4.808 2.107 ( -8.410 0.000 9.170) 12.443 2.108 ( 0.705 0.000 -0.651) 0.960 2.297 ( 2.248 0.000 1.508) 2.706 2.705 ( -2.438 0.000 1.418) 2.820 2.768 ( 12.170 0.000 -0.754) 12.193 2.768 ( 1.283 0.000 -1.230) 1.777 3.022 ( -2.267 0.000 -0.929) 2.450 3.154 ( -2.113 0.000 1.665) 2.690 3.485 ( -7.553 0.000 0.057) 7.554 3.633 ( 3.813 0.000 -0.740) 3.884 3.915 ( 0.737 0.000 -0.800) 1.088 4.077 ( 1.822 0.000 2.338) 2.964 4.332 ( 1.919 0.000 0.388) 1.958 4.623 ( -3.223 0.000 -0.746) 3.308 4.843 ( -2.465 0.000 0.670) 2.555 4.848 ( 4.231 0.000 -1.896) 4.637 4.987 ( -0.186 0.000 -1.091) 1.107 5.546 ( -6.811 0.000 -0.272) 6.816 6.373 ( -2.381 0.000 -4.968) 5.509 7.596 ( 13.495 0.000 0.028) 13.495 8.089 ( -11.878 0.000 -1.279) 11.946 8.553 ( -6.932 0.000 -1.067) 7.014 8.734 ( 1.769 0.000 1.485) 2.310 8.867 ( 1.014 0.000 -0.358) 1.075 8.867 ( 1.537 0.000 1.167) 1.930 9.285 ( -7.849 0.000 0.306) 7.855 9.574 ( 0.157 0.000 1.165) 1.176 9.663 ( -1.716 0.000 -1.201) 2.094 10.067 ( 8.852 0.000 2.176) 9.115 10.254 ( -2.715 0.000 0.572) 2.775 10.640 ( 4.386 0.000 -0.969) 4.492 10.747 ( 4.052 0.000 0.057) 4.053 10.901 ( -3.917 0.000 0.902) 4.020 10.929 ( 2.714 0.000 -0.525) 2.765 11.101 ( -0.539 0.000 0.056) 0.542 13.556 ( 0.123 0.000 0.657) 0.668 13.708 ( -0.084 0.000 1.424) 1.427 ======================= Grid point 182 (92/116) ======================= q-point: (-0.12 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 6.24e-05 6.24e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.100 ( -8.977 0.000 10.596) 13.888 1.197 ( -3.173 0.000 14.456) 14.800 1.574 ( 0.442 0.000 -4.615) 4.636 1.700 ( -3.180 0.000 -6.774) 7.483 1.916 ( -11.011 0.000 9.874) 14.789 2.105 ( -0.377 0.000 -1.200) 1.258 2.174 ( 5.182 0.000 5.828) 7.799 2.346 ( 1.473 0.000 1.108) 1.843 2.723 ( 5.115 0.000 -6.051) 7.923 2.806 ( 2.758 0.000 -0.026) 2.758 2.810 ( -5.425 0.000 -3.344) 6.373 3.036 ( 4.722 0.000 0.740) 4.779 3.115 ( -2.779 0.000 0.862) 2.909 3.422 ( -0.463 0.000 1.029) 1.128 3.725 ( 6.165 0.000 -1.327) 6.306 3.921 ( 0.638 0.000 -1.044) 1.224 4.037 ( -5.929 0.000 1.231) 6.055 4.340 ( -0.323 0.000 0.304) 0.444 4.524 ( -5.855 0.000 -0.812) 5.911 4.812 ( -1.369 0.000 0.806) 1.588 4.965 ( 4.987 0.000 -0.352) 5.000 4.971 ( 1.434 0.000 -1.879) 2.364 5.428 ( -4.890 0.000 -0.185) 4.894 6.289 ( -2.376 0.000 -4.879) 5.427 7.852 ( 12.798 0.000 -0.195) 12.800 7.893 ( -7.491 0.000 -0.629) 7.517 8.403 ( -8.066 0.000 -0.425) 8.077 8.769 ( 0.969 0.000 1.274) 1.600 8.873 ( 0.096 0.000 -0.788) 0.794 8.890 ( 0.104 0.000 0.682) 0.690 9.161 ( -4.893 0.000 0.297) 4.902 9.598 ( 1.340 0.000 1.170) 1.779 9.631 ( -0.890 0.000 -0.811) 1.204 10.215 ( -1.729 0.000 0.390) 1.773 10.243 ( 7.545 0.000 1.762) 7.748 10.698 ( 2.358 0.000 -0.877) 2.516 10.777 ( -1.923 0.000 0.413) 1.967 10.863 ( 0.330 0.000 0.643) 0.723 10.966 ( 1.496 0.000 -0.586) 1.607 11.093 ( -0.275 0.000 0.216) 0.349 13.577 ( 1.317 0.000 0.873) 1.581 13.719 ( 0.193 0.000 1.428) 1.441 ======================= Grid point 183 (93/116) ======================= q-point: ( 0.00 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 6.24e-05 6.24e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.143 ( -2.344 4.738 13.521) 14.517 1.306 ( -0.578 9.710 2.209) 9.975 1.561 ( 3.468 -0.688 -1.178) 3.727 1.705 ( -1.333 4.036 -6.404) 7.687 1.897 ( -2.788 4.968 7.154) 9.145 2.062 ( 0.218 -2.529 -1.822) 3.124 2.299 ( 2.275 0.061 3.985) 4.589 2.375 ( -0.193 1.090 1.367) 1.758 2.614 ( -0.648 -4.276 -2.252) 4.876 2.748 ( 2.492 -1.799 -5.267) 6.098 2.873 ( 0.433 1.323 1.350) 1.939 3.090 ( 0.455 2.455 -0.087) 2.498 3.213 ( 0.367 2.631 -0.325) 2.676 3.350 ( -0.226 -1.132 0.313) 1.196 3.700 ( -0.396 -8.455 -0.374) 8.473 4.010 ( -0.693 3.619 0.482) 3.716 4.040 ( 2.390 8.915 -2.253) 9.501 4.334 ( -0.549 -1.331 0.032) 1.440 4.420 ( -0.281 -1.248 0.923) 1.577 4.709 ( -0.648 -4.147 0.691) 4.254 4.980 ( -0.508 -4.556 -0.219) 4.589 5.128 ( -0.392 11.751 -0.632) 11.774 5.302 ( 0.102 -7.343 -0.232) 7.347 6.187 ( -1.497 -3.536 -2.080) 4.367 7.815 ( 0.071 0.564 -0.349) 0.667 8.066 ( -0.812 5.315 0.160) 5.379 8.299 ( 0.595 -0.336 -0.400) 0.791 8.782 ( 0.190 -4.088 0.967) 4.206 8.814 ( -0.096 0.617 -0.602) 0.868 8.960 ( 0.212 4.535 0.049) 4.540 9.141 ( -0.067 2.762 0.237) 2.773 9.572 ( 0.498 -4.695 0.136) 4.723 9.597 ( -0.085 -2.078 -0.313) 2.103 10.137 ( 0.001 -5.503 0.169) 5.505 10.371 ( -0.044 3.162 0.959) 3.305 10.694 ( 0.052 -1.336 -0.263) 1.362 10.765 ( 0.305 0.729 -0.037) 0.791 10.860 ( 0.122 -1.923 -0.007) 1.927 10.981 ( -0.126 0.710 -0.186) 0.745 11.082 ( 0.063 -0.978 0.169) 0.994 13.597 ( 0.561 -0.361 0.010) 0.667 13.719 ( 0.459 -1.324 0.474) 1.479 ======================= Grid point 184 (94/116) ======================= q-point: ( 0.12 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 6.24e-05 6.24e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.273 ( 5.472 5.974 12.951) 15.277 1.362 ( 6.663 8.667 -1.812) 11.081 1.614 ( 3.568 2.074 -7.754) 8.784 1.639 ( -2.009 4.164 1.261) 4.792 1.943 ( 2.705 1.214 3.432) 4.535 2.057 ( -0.249 -2.697 -0.603) 2.775 2.329 ( 0.033 0.864 -1.464) 1.701 2.380 ( -0.161 1.497 0.248) 1.526 2.639 ( 2.477 -4.957 1.236) 5.678 2.725 ( 1.024 0.643 -4.781) 4.932 2.877 ( 0.249 2.763 -1.092) 2.981 3.083 ( -2.408 2.160 -0.323) 3.250 3.239 ( 1.251 7.373 -0.662) 7.507 3.334 ( 0.707 -7.429 0.301) 7.469 3.634 ( -5.409 -6.289 0.273) 8.300 4.011 ( 0.838 4.290 -1.206) 4.535 4.115 ( 6.062 4.954 -2.482) 8.213 4.337 ( 0.323 -0.062 0.900) 0.958 4.459 ( 3.589 -3.008 0.796) 4.750 4.709 ( -0.169 -4.319 1.259) 4.502 4.896 ( -8.138 -4.143 0.957) 9.182 5.131 ( 0.873 12.039 0.423) 12.078 5.350 ( 4.903 -7.366 -0.252) 8.852 6.176 ( 0.502 -3.286 1.881) 3.820 7.818 ( -4.963 -0.061 0.268) 4.970 7.958 ( -1.525 4.350 0.295) 4.619 8.418 ( 8.404 1.131 -0.387) 8.488 8.790 ( -0.133 -4.461 -0.040) 4.463 8.815 ( 0.557 1.617 -0.004) 1.710 8.957 ( -0.599 4.032 -0.346) 4.091 9.188 ( 4.850 2.817 0.162) 5.611 9.567 ( -0.515 -4.499 -0.711) 4.584 9.601 ( 0.627 -2.112 0.036) 2.204 10.159 ( 2.183 -5.157 0.034) 5.600 10.295 ( -7.220 2.972 0.230) 7.811 10.684 ( -2.261 -0.377 0.006) 2.292 10.785 ( 1.208 -0.191 -0.369) 1.277 10.854 ( 0.062 -2.156 -0.334) 2.183 10.965 ( -1.298 0.833 0.062) 1.543 11.084 ( 0.222 -1.036 -0.056) 1.061 13.593 ( -0.446 -0.265 -0.835) 0.983 13.726 ( 0.233 -1.465 -0.587) 1.595 ======================= Grid point 185 (95/116) ======================= q-point: ( 0.25 0.14 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 6.24e-05 6.24e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.475 ( 4.831 2.932 9.949) 11.441 1.505 ( 8.142 7.379 -6.049) 12.543 1.574 ( 4.571 7.220 -9.933) 13.103 1.677 ( 0.953 5.421 4.847) 7.334 1.980 ( -0.045 -1.756 -0.372) 1.795 2.079 ( 3.474 -1.389 0.948) 3.859 2.292 ( -0.967 2.738 -3.889) 4.853 2.376 ( 0.446 2.977 -1.611) 3.414 2.657 ( -1.869 -3.807 3.498) 5.497 2.804 ( 8.546 1.843 -2.965) 9.232 2.829 ( -5.579 3.930 -2.024) 7.118 3.014 ( -2.464 2.151 0.067) 3.272 3.214 ( -1.353 0.825 -1.548) 2.215 3.438 ( 8.136 -4.692 0.624) 9.412 3.538 ( -4.209 -6.141 0.120) 7.446 4.010 ( -0.171 4.566 -2.088) 5.024 4.171 ( 0.266 3.344 -3.699) 4.994 4.333 ( -2.349 0.464 0.824) 2.532 4.547 ( 4.195 -3.684 1.360) 5.746 4.702 ( -2.581 -5.161 1.866) 6.065 4.766 ( -3.113 -4.342 1.846) 5.652 5.166 ( 2.049 13.128 1.252) 13.346 5.460 ( 6.300 -8.120 -0.289) 10.281 6.231 ( 2.650 -3.137 4.476) 6.074 7.619 ( -12.316 2.901 0.605) 12.667 8.075 ( 9.482 0.378 0.677) 9.513 8.561 ( 6.520 1.627 0.235) 6.724 8.770 ( -1.308 -1.121 -1.178) 2.087 8.832 ( 0.734 0.100 0.478) 0.881 8.930 ( -1.740 3.393 -0.804) 3.897 9.313 ( 7.756 2.549 -0.030) 8.164 9.551 ( -0.303 -4.218 -1.140) 4.380 9.621 ( 1.314 -2.103 0.582) 2.547 10.135 ( -8.188 3.122 -0.739) 8.794 10.220 ( 3.408 -4.148 -0.200) 5.372 10.611 ( -5.232 -0.926 0.389) 5.327 10.754 ( -3.571 0.251 -0.075) 3.581 10.866 ( -0.224 -3.096 -0.188) 3.109 10.954 ( 1.112 1.122 -0.639) 1.704 11.090 ( 0.451 -1.203 -0.180) 1.297 13.577 ( -0.362 -0.116 -1.142) 1.204 13.719 ( -0.242 -1.547 -1.077) 1.901 ======================= Grid point 186 (96/116) ======================= q-point: ( 0.38 0.14 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 6.24e-05 6.24e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.416 ( -3.343 8.244 -16.165) 18.451 1.566 ( 0.738 -1.559 3.906) 4.270 1.709 ( -1.674 5.464 7.880) 9.735 1.774 ( 13.187 10.996 -0.854) 17.192 2.014 ( 4.272 -2.555 -1.228) 5.127 2.163 ( 2.490 2.692 3.132) 4.823 2.265 ( 2.494 0.070 -6.025) 6.522 2.382 ( 2.059 4.776 -2.678) 5.850 2.517 ( -15.473 3.833 1.758) 16.038 2.752 ( -0.119 2.519 0.552) 2.582 2.954 ( 7.163 -0.449 -1.209) 7.279 3.009 ( 1.121 0.038 0.285) 1.157 3.203 ( 2.539 0.329 -1.927) 3.205 3.499 ( 0.368 -7.746 -0.254) 7.759 3.589 ( 5.854 -5.379 1.125) 8.029 3.906 ( -12.938 2.486 -1.020) 13.215 4.068 ( -3.795 8.636 -1.765) 9.596 4.294 ( -0.808 -0.433 -1.345) 1.628 4.619 ( 2.038 -1.979 2.255) 3.627 4.715 ( 2.885 -7.354 0.429) 7.912 4.768 ( 0.167 -5.393 1.380) 5.569 5.218 ( 2.197 14.494 1.325) 14.719 5.560 ( 4.185 -9.590 -0.347) 10.469 6.321 ( 3.018 -3.270 4.360) 6.230 7.423 ( -8.146 4.421 0.407) 9.277 8.265 ( 8.958 -2.498 1.500) 9.420 8.649 ( 1.557 0.255 0.291) 1.604 8.742 ( 0.235 2.642 -0.852) 2.786 8.841 ( -0.144 0.467 0.011) 0.489 8.887 ( -1.906 2.977 -1.170) 3.723 9.448 ( 5.957 2.338 -0.097) 6.400 9.542 ( 0.057 -4.088 -1.021) 4.213 9.658 ( 1.836 -2.298 1.033) 3.118 9.984 ( -6.452 3.773 -1.307) 7.587 10.294 ( 4.456 -2.698 -0.479) 5.231 10.506 ( -5.967 -2.591 0.580) 6.531 10.682 ( -3.440 0.822 -0.090) 3.538 10.841 ( -1.690 -2.700 0.370) 3.207 10.983 ( 1.746 0.301 -1.037) 2.053 11.096 ( 0.313 -1.301 -0.218) 1.355 13.567 ( 0.039 -0.147 -0.885) 0.898 13.705 ( -0.446 -1.590 -0.953) 1.907 ======================= Grid point 187 (97/116) ======================= q-point: (-0.50 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 6.24e-05 6.24e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.224 ( -7.027 12.309 -5.967) 15.379 1.575 ( -2.869 -2.611 2.864) 4.822 1.753 ( 1.610 4.060 5.107) 6.720 1.928 ( 2.752 3.674 -0.857) 4.669 2.118 ( 1.474 6.390 -4.200) 7.788 2.183 ( -2.524 0.529 3.969) 4.733 2.254 ( -4.283 1.561 -1.030) 4.674 2.311 ( 7.364 3.415 -5.068) 9.570 2.401 ( 0.895 6.161 -2.718) 6.793 2.759 ( -0.384 2.629 1.046) 2.856 3.002 ( 0.224 -2.305 1.440) 2.727 3.034 ( -0.612 -0.769 -0.801) 1.268 3.260 ( -1.427 3.374 -0.402) 3.686 3.546 ( -4.492 -7.207 1.277) 8.587 3.571 ( 1.905 -5.579 0.275) 5.902 3.742 ( 1.594 0.766 0.788) 1.935 4.028 ( -0.322 8.803 -1.518) 8.939 4.277 ( -0.066 -0.158 -1.198) 1.210 4.648 ( -0.809 -2.439 1.983) 3.246 4.759 ( 0.299 -4.743 0.059) 4.753 4.779 ( 1.008 -8.019 -0.136) 8.083 5.252 ( 0.423 15.314 0.576) 15.330 5.600 ( 0.121 -10.429 -0.355) 10.435 6.388 ( 1.475 -3.481 1.704) 4.147 7.344 ( -0.086 5.071 0.306) 5.081 8.384 ( 1.104 -5.206 0.757) 5.375 8.631 ( -0.710 0.906 -0.243) 1.176 8.774 ( 1.372 5.622 0.092) 5.788 8.823 ( -1.281 0.279 -0.235) 1.332 8.855 ( -0.457 2.019 -0.480) 2.125 9.510 ( -0.055 2.487 0.057) 2.488 9.536 ( -0.124 -4.227 -0.576) 4.268 9.690 ( 0.448 -2.826 0.665) 2.937 9.901 ( -0.832 4.454 -0.638) 4.575 10.351 ( -0.786 0.269 -0.273) 0.874 10.433 ( 0.832 -5.656 0.260) 5.723 10.646 ( 0.022 1.074 -0.095) 1.079 10.826 ( 0.060 -2.702 0.262) 2.715 10.992 ( -0.174 0.154 -0.552) 0.599 11.098 ( 0.004 -1.333 -0.169) 1.344 13.563 ( -0.015 -0.206 -0.529) 0.568 13.692 ( -0.380 -1.564 -0.319) 1.641 ======================= Grid point 188 (98/116) ======================= q-point: (-0.38 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 6.24e-05 6.24e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( -4.891 11.774 9.860) 16.117 1.484 ( -10.816 -0.853 8.099) 13.539 1.812 ( -1.230 6.139 -2.850) 6.879 1.881 ( -0.195 9.007 -3.836) 9.791 2.024 ( -0.547 -3.992 -2.287) 4.633 2.161 ( -1.687 -1.163 1.434) 2.501 2.239 ( -2.507 2.335 -4.209) 5.427 2.357 ( -2.188 5.590 -0.473) 6.022 2.552 ( 15.120 5.783 -0.939) 16.215 2.748 ( -1.329 1.461 1.227) 2.325 2.920 ( -10.347 3.859 1.005) 11.089 3.017 ( -0.057 -1.706 0.194) 1.718 3.164 ( -2.881 0.464 1.343) 3.212 3.495 ( 0.559 -8.312 0.241) 8.335 3.591 ( -5.623 -6.291 0.768) 8.472 3.901 ( 11.146 2.492 -0.494) 11.432 4.037 ( 2.183 8.043 0.777) 8.370 4.285 ( 2.063 0.322 -0.326) 2.114 4.616 ( -3.861 -4.427 1.980) 6.199 4.744 ( -0.284 -4.596 -1.547) 4.858 4.789 ( -0.026 -6.211 -0.545) 6.235 5.239 ( -1.633 15.058 -0.532) 15.156 5.560 ( -3.927 -9.670 -0.322) 10.442 6.393 ( -0.791 -3.579 -2.063) 4.206 7.425 ( 8.089 4.393 0.238) 9.208 8.295 ( -8.798 -2.670 -1.163) 9.268 8.651 ( 0.582 -0.424 0.251) 0.763 8.734 ( -2.996 3.716 -0.427) 4.793 8.839 ( 1.082 0.255 0.367) 1.171 8.862 ( 1.398 2.872 0.848) 3.305 9.445 ( -6.171 2.314 0.153) 6.592 9.529 ( -0.409 -3.851 0.132) 3.874 9.678 ( -1.574 -2.866 -0.540) 3.314 9.954 ( 5.785 4.361 1.153) 7.335 10.282 ( -4.426 -2.602 0.469) 5.155 10.519 ( 6.091 -2.817 -0.566) 6.735 10.682 ( 3.548 0.918 -0.093) 3.666 10.845 ( 1.510 -3.003 0.027) 3.361 10.970 ( -1.804 0.525 0.088) 1.881 11.094 ( -0.287 -1.324 -0.062) 1.356 13.557 ( -0.255 -0.095 -0.121) 0.298 13.688 ( -0.178 -1.450 0.599) 1.579 ======================= Grid point 189 (99/116) ======================= q-point: (-0.25 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 6.24e-05 6.24e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.174 ( -1.164 7.760 18.611) 20.198 1.312 ( -14.159 2.689 12.575) 19.127 1.688 ( -3.483 7.944 -8.049) 11.833 1.901 ( -1.913 4.924 -9.639) 10.992 1.993 ( 0.605 -3.348 -1.022) 3.552 2.111 ( -1.705 -1.637 -2.102) 3.163 2.165 ( -4.256 5.028 6.602) 9.326 2.345 ( 0.464 4.129 1.294) 4.352 2.695 ( -2.376 0.849 3.789) 4.553 2.741 ( -0.270 -2.763 -3.028) 4.108 2.835 ( 2.714 3.582 -0.692) 4.547 3.010 ( 1.224 0.894 0.506) 1.598 3.182 ( 2.805 2.320 1.164) 3.822 3.441 ( -9.012 -4.625 0.356) 10.136 3.548 ( 4.923 -6.394 -0.737) 8.103 3.999 ( 1.984 5.747 -1.216) 6.200 4.101 ( 0.261 2.324 2.735) 3.599 4.346 ( 2.821 1.571 -0.242) 3.238 4.541 ( -5.128 -6.497 1.520) 8.415 4.749 ( 0.589 -3.555 -1.878) 4.064 4.797 ( 4.162 -4.732 -1.051) 6.389 5.196 ( -2.018 13.787 -1.295) 13.994 5.460 ( -6.071 -8.216 -0.291) 10.220 6.335 ( -2.395 -3.541 -4.821) 6.444 7.626 ( 12.358 2.835 0.006) 12.679 8.097 ( -10.072 0.598 -1.324) 10.176 8.574 ( -6.926 1.536 -0.954) 7.159 8.736 ( 1.211 -0.263 1.607) 2.030 8.844 ( -0.268 -0.993 -0.373) 1.094 8.910 ( 2.226 3.466 1.007) 4.240 9.309 ( -7.766 2.537 0.302) 8.175 9.529 ( 0.172 -3.908 0.916) 4.017 9.639 ( -1.616 -2.389 -0.941) 3.033 10.106 ( 8.430 3.553 1.809) 9.325 10.211 ( -3.386 -4.084 0.535) 5.332 10.625 ( 5.313 -1.224 -0.796) 5.510 10.755 ( 3.622 0.414 -0.154) 3.649 10.858 ( -1.153 -3.057 0.518) 3.308 10.948 ( 0.269 0.951 -0.022) 0.989 11.087 ( -0.466 -1.239 0.068) 1.325 13.557 ( 0.178 0.084 0.596) 0.627 13.693 ( 0.032 -1.310 1.313) 1.855 ======================= Grid point 190 (100/116) ======================= q-point: (-0.12 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 6.24e-05 6.24e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.168 ( -10.155 4.379 13.479) 17.435 1.286 ( -1.663 7.163 14.889) 16.606 1.569 ( -1.917 1.987 -8.218) 8.669 1.771 ( -1.782 5.324 -7.048) 9.011 1.956 ( -6.893 3.406 4.868) 9.100 2.078 ( -0.050 -3.239 -2.284) 3.964 2.208 ( 2.465 3.343 6.586) 7.786 2.367 ( 0.321 2.183 1.119) 2.474 2.682 ( -2.478 -4.407 -3.915) 6.395 2.703 ( 2.594 -3.118 -1.278) 4.252 2.849 ( 0.127 1.029 1.759) 2.042 3.073 ( 2.358 2.307 0.530) 3.341 3.230 ( -0.410 9.085 -0.166) 9.096 3.332 ( -0.604 -6.869 0.514) 6.914 3.647 ( 5.448 -6.723 -0.925) 8.703 4.012 ( 0.668 5.683 -1.247) 5.856 4.073 ( -3.650 3.995 1.122) 5.526 4.353 ( -0.915 1.608 -0.453) 1.905 4.458 ( -4.196 -5.502 0.950) 6.985 4.725 ( -1.249 -3.865 -0.334) 4.076 4.919 ( 6.846 -4.167 -0.979) 8.074 5.153 ( -1.409 12.437 -1.348) 12.589 5.350 ( -4.731 -7.480 -0.236) 8.853 6.251 ( -2.432 -3.545 -4.845) 6.478 7.825 ( 4.375 -0.114 -0.346) 4.390 7.969 ( 1.680 4.642 -0.653) 4.979 8.418 ( -8.743 1.108 -0.374) 8.821 8.767 ( 0.693 -1.657 1.477) 2.325 8.828 ( -0.785 -1.371 -0.689) 1.723 8.948 ( 1.123 3.989 0.494) 4.174 9.186 ( -4.904 2.810 0.276) 5.659 9.549 ( 1.118 -4.319 0.989) 4.570 9.610 ( -0.898 -2.156 -0.673) 2.430 10.156 ( -2.060 -5.083 0.337) 5.495 10.280 ( 7.453 3.094 1.504) 8.208 10.692 ( 2.005 -0.552 -0.749) 2.210 10.777 ( -1.628 -0.184 0.398) 1.686 10.846 ( 0.852 -1.786 0.367) 2.013 10.970 ( 1.423 0.543 -0.409) 1.577 11.081 ( -0.221 -1.086 0.241) 1.134 13.575 ( 1.095 -0.081 0.817) 1.369 13.706 ( 0.225 -1.240 1.332) 1.834 ======================= Grid point 191 (101/116) ======================= q-point: ( 0.00 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 6.24e-05 6.24e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.277 ( -0.184 8.371 9.797) 12.888 1.492 ( -0.300 5.416 5.949) 8.051 1.563 ( 2.201 1.832 -3.079) 4.205 1.781 ( -0.364 1.152 -9.021) 9.101 1.985 ( -1.431 -0.455 -0.055) 1.502 2.034 ( 1.512 3.819 0.800) 4.185 2.303 ( 0.689 0.718 1.421) 1.735 2.422 ( -1.148 3.708 1.420) 4.134 2.560 ( -0.354 -1.788 0.595) 1.917 2.731 ( 2.617 1.901 -2.036) 3.822 2.918 ( -0.042 2.290 1.720) 2.864 2.985 ( 0.033 -12.487 -0.321) 12.491 3.168 ( 0.369 0.200 0.314) 0.524 3.456 ( -0.270 -13.785 -0.375) 13.793 3.609 ( -0.672 18.895 0.683) 18.919 4.075 ( -0.969 2.382 1.648) 3.054 4.197 ( 1.300 1.837 -2.229) 3.168 4.339 ( 0.482 4.760 0.502) 4.811 4.424 ( 0.081 2.482 -0.399) 2.516 4.662 ( -0.617 -0.802 0.693) 1.227 4.855 ( -0.451 -6.982 -0.362) 7.005 5.058 ( -0.143 -15.083 0.292) 15.087 5.398 ( -0.131 12.963 -1.798) 13.088 6.077 ( -1.155 -6.877 -2.326) 7.352 7.867 ( -0.108 4.529 -0.368) 4.545 8.193 ( -2.148 6.360 0.157) 6.714 8.265 ( 1.897 -3.203 -0.373) 3.741 8.647 ( -0.071 -7.593 0.251) 7.598 8.874 ( 0.349 4.318 0.040) 4.332 9.065 ( 0.192 4.839 0.138) 4.845 9.247 ( 0.054 6.539 0.133) 6.541 9.454 ( 0.333 -4.927 0.039) 4.938 9.528 ( -0.108 -4.358 -0.190) 4.364 9.979 ( 0.017 -9.232 0.054) 9.232 10.459 ( -0.022 5.008 0.582) 5.042 10.669 ( 0.126 -0.852 -0.225) 0.890 10.761 ( 0.317 -1.361 0.074) 1.399 10.799 ( -0.048 -3.514 -0.026) 3.515 11.004 ( -0.012 1.242 -0.117) 1.248 11.059 ( 0.102 -1.000 0.201) 1.025 13.594 ( 0.375 0.217 0.151) 0.459 13.683 ( 0.269 -1.961 0.505) 2.043 ======================= Grid point 192 (102/116) ======================= q-point: ( 0.12 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 6.24e-05 6.24e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.389 ( 5.108 6.390 5.276) 9.734 1.534 ( 4.522 5.302 -0.649) 6.999 1.663 ( 7.145 2.158 -1.896) 7.701 1.765 ( 3.633 4.751 -3.199) 6.783 1.943 ( -0.207 -0.817 -0.297) 0.894 2.048 ( -1.509 3.371 -0.214) 3.700 2.359 ( 4.394 2.002 -0.623) 4.869 2.419 ( -0.079 2.306 0.934) 2.489 2.567 ( -0.868 -1.958 1.111) 2.413 2.769 ( 4.247 3.941 -3.256) 6.647 2.924 ( 0.434 1.710 -0.985) 2.021 3.001 ( 1.386 -11.268 0.631) 11.370 3.191 ( 1.864 -2.474 -0.306) 3.113 3.429 ( -2.573 -11.390 0.284) 11.681 3.535 ( -7.178 17.163 1.182) 18.641 4.070 ( -0.533 1.924 1.242) 2.351 4.220 ( 2.862 1.513 -2.765) 4.257 4.387 ( 3.788 5.043 0.529) 6.329 4.402 ( -1.592 -0.319 -0.863) 1.839 4.661 ( -0.142 -0.842 1.230) 1.497 4.789 ( -6.428 -5.385 0.845) 8.428 5.108 ( 4.541 -14.651 0.235) 15.341 5.407 ( 1.816 12.972 -0.310) 13.102 6.072 ( 1.110 -6.517 1.250) 6.728 7.858 ( -3.357 3.751 0.226) 5.039 8.040 ( -5.038 2.853 0.627) 5.824 8.438 ( 9.672 0.567 -0.353) 9.695 8.662 ( 1.496 -6.872 0.207) 7.035 8.881 ( 0.657 4.442 -0.629) 4.534 9.055 ( -1.090 4.834 -0.269) 4.963 9.288 ( 4.105 5.588 -0.087) 6.934 9.457 ( 0.275 -4.158 -0.512) 4.199 9.532 ( 0.522 -4.373 0.118) 4.406 10.008 ( 2.975 -8.957 -0.003) 9.438 10.380 ( -7.018 4.950 0.074) 8.588 10.667 ( -2.468 -1.484 -0.135) 2.882 10.771 ( 1.694 -1.426 -0.360) 2.244 10.796 ( -0.605 -2.536 -0.021) 2.607 10.989 ( -1.182 1.258 -0.124) 1.731 11.058 ( -0.117 -1.297 -0.106) 1.307 13.592 ( -0.362 0.246 -0.539) 0.694 13.686 ( -0.055 -2.147 -0.300) 2.169 ======================= Grid point 193 (103/116) ======================= q-point: ( 0.25 0.29 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 6.24e-05 6.24e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.488 ( 3.343 1.471 -1.239) 3.857 1.615 ( 5.668 4.922 -6.291) 9.795 1.779 ( 2.614 0.511 4.495) 5.225 1.836 ( 5.704 10.037 -1.823) 11.687 2.010 ( -0.251 5.773 2.395) 6.255 2.047 ( 10.230 0.692 -1.512) 10.365 2.367 ( -3.397 3.863 -2.053) 5.539 2.442 ( 1.902 2.888 -1.867) 3.930 2.576 ( 2.384 -3.075 2.666) 4.717 2.854 ( 5.772 3.577 -3.097) 7.464 2.904 ( -0.986 2.217 -1.566) 2.888 3.027 ( -0.096 -4.241 -0.005) 4.242 3.208 ( -1.430 -5.943 -0.003) 6.113 3.381 ( -2.103 -8.903 -0.160) 9.149 3.419 ( -2.944 11.420 1.563) 11.896 4.069 ( -0.623 1.090 -0.293) 1.289 4.250 ( 2.464 2.342 -3.639) 4.980 4.361 ( -2.682 0.203 0.457) 2.728 4.464 ( 3.318 -0.531 -0.752) 3.443 4.640 ( -6.126 -1.121 3.054) 6.936 4.690 ( -0.558 -2.207 1.056) 2.510 5.200 ( 4.463 -15.590 -0.029) 16.216 5.458 ( 3.130 13.572 1.147) 13.976 6.130 ( 2.928 -6.349 3.693) 7.907 7.712 ( -9.684 5.850 0.516) 11.326 8.070 ( 4.735 -1.360 1.031) 5.033 8.589 ( 6.189 0.866 0.189) 6.252 8.703 ( 2.819 -4.021 -0.107) 4.912 8.890 ( 0.885 4.531 -1.086) 4.743 9.023 ( -1.911 5.023 -0.692) 5.419 9.378 ( 4.545 -0.178 -0.618) 4.590 9.469 ( 1.906 0.142 -0.433) 1.959 9.552 ( 1.680 -3.622 0.426) 4.015 10.084 ( 4.948 -8.202 -0.096) 9.580 10.234 ( -7.805 5.682 -0.611) 9.673 10.580 ( -6.149 -2.420 0.085) 6.609 10.753 ( -2.899 -0.328 -0.040) 2.918 10.800 ( -0.207 -2.808 -0.223) 2.825 10.975 ( 0.340 0.899 -0.624) 1.146 11.057 ( 0.235 -1.737 -0.264) 1.773 13.578 ( -0.446 0.323 -0.839) 1.004 13.677 ( -0.456 -2.294 -0.773) 2.464 ======================= Grid point 194 (104/116) ======================= q-point: ( 0.38 0.29 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 6.24e-05 6.24e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.518 ( 2.361 1.099 -3.736) 4.554 1.623 ( -0.015 5.689 -6.978) 9.003 1.853 ( -4.100 8.178 5.835) 10.851 1.858 ( 3.893 -0.950 0.791) 4.085 2.126 ( 9.742 8.446 0.744) 12.915 2.218 ( 0.444 2.494 3.626) 4.424 2.283 ( 3.910 2.576 -6.586) 8.080 2.479 ( 4.223 3.664 -2.678) 6.199 2.615 ( -4.283 3.736 3.133) 6.490 2.824 ( -1.807 4.697 -3.176) 5.951 2.932 ( 0.788 -0.452 0.784) 1.200 3.010 ( -0.402 -1.279 -0.582) 1.462 3.195 ( 1.167 -6.808 0.435) 6.921 3.344 ( 1.293 -5.472 -1.384) 5.791 3.481 ( 5.414 2.392 0.925) 5.991 3.979 ( -10.021 4.100 -1.185) 10.892 4.244 ( -1.183 6.134 -1.927) 6.538 4.306 ( -1.800 1.688 -0.014) 2.468 4.496 ( 2.051 -9.198 -0.497) 9.437 4.618 ( 0.599 -0.228 2.964) 3.033 4.704 ( 0.663 -0.960 0.279) 1.200 5.260 ( 1.987 -18.272 -0.327) 18.382 5.529 ( 2.960 14.311 1.605) 14.702 6.217 ( 2.996 -6.518 3.665) 8.055 7.559 ( -6.299 8.278 0.374) 10.409 8.170 ( 4.162 -6.696 1.392) 8.006 8.662 ( 1.777 1.242 -0.006) 2.167 8.768 ( 3.662 -0.308 0.266) 3.685 8.899 ( 0.959 4.630 -1.055) 4.845 8.977 ( -2.297 5.380 -1.047) 5.943 9.419 ( 1.065 -5.882 -1.017) 6.064 9.518 ( 2.215 -0.385 0.286) 2.266 9.611 ( 4.057 1.722 0.307) 4.418 10.095 ( -5.930 6.233 -0.909) 8.651 10.187 ( 5.974 -7.224 -0.175) 9.376 10.451 ( -7.224 -2.748 0.098) 7.729 10.693 ( -2.947 0.254 -0.072) 2.959 10.775 ( -1.624 -3.081 0.077) 3.483 10.988 ( 1.134 0.249 -0.808) 1.414 11.061 ( 0.267 -1.889 -0.288) 1.930 13.566 ( -0.176 0.217 -0.695) 0.749 13.661 ( -0.542 -2.338 -0.721) 2.506 ======================= Grid point 195 (105/116) ======================= q-point: (-0.50 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 6.24e-05 6.24e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.511 ( -4.606 11.825 -3.183) 13.084 1.532 ( -3.048 -0.627 1.429) 3.425 1.835 ( -1.877 3.298 5.756) 6.895 1.933 ( 5.427 2.194 -3.091) 6.620 2.165 ( -3.299 -0.508 2.376) 4.096 2.280 ( 4.908 2.923 -1.182) 5.833 2.340 ( -5.756 4.827 -0.513) 7.530 2.521 ( 1.379 5.546 -2.952) 6.433 2.529 ( 4.844 14.953 -2.215) 15.874 2.813 ( -0.239 1.435 -0.941) 1.732 2.942 ( 0.057 -2.332 1.591) 2.824 2.997 ( -0.393 -2.540 -0.864) 2.711 3.210 ( 0.326 -10.878 0.017) 10.883 3.386 ( 0.322 -11.525 -0.291) 11.533 3.577 ( -2.335 14.405 0.228) 14.595 3.787 ( 0.110 3.840 0.597) 3.887 4.214 ( -1.123 7.285 0.234) 7.374 4.294 ( 0.444 1.563 -1.059) 1.940 4.522 ( -0.184 -10.510 -0.101) 10.512 4.647 ( 0.283 -1.216 1.855) 2.237 4.713 ( 0.517 -0.565 -0.768) 1.084 5.274 ( -0.020 -19.980 -0.289) 19.982 5.575 ( 0.776 14.753 0.573) 14.785 6.279 ( 1.375 -6.783 1.325) 7.047 7.499 ( -0.073 9.360 0.299) 9.365 8.224 ( 0.486 -9.701 0.691) 9.737 8.674 ( -0.201 2.883 -0.065) 2.890 8.816 ( 0.452 -0.300 0.384) 0.665 8.913 ( 0.612 3.810 -0.583) 3.903 8.927 ( -1.368 7.168 -0.677) 7.329 9.421 ( -0.072 -5.994 -0.657) 6.031 9.542 ( 0.139 -3.138 0.295) 3.155 9.662 ( 0.046 4.213 0.084) 4.214 10.023 ( -0.464 6.624 -0.366) 6.650 10.278 ( -0.779 -8.676 0.252) 8.714 10.347 ( 0.790 -1.156 -0.348) 1.443 10.662 ( 0.043 0.487 -0.113) 0.502 10.759 ( -0.023 -3.293 0.113) 3.295 10.994 ( -0.113 0.067 -0.441) 0.460 11.062 ( -0.012 -1.924 -0.198) 1.934 13.561 ( -0.059 0.116 -0.393) 0.414 13.649 ( -0.311 -2.278 -0.222) 2.310 ======================= Grid point 196 (106/116) ======================= q-point: (-0.38 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 6.24e-05 6.24e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.376 ( -8.627 8.855 6.781) 14.101 1.491 ( -5.525 4.586 5.935) 9.316 1.851 ( 0.462 -2.956 1.336) 3.277 2.013 ( 5.507 4.759 -6.780) 9.947 2.134 ( -8.442 5.296 4.695) 11.016 2.155 ( -3.454 6.911 -0.892) 7.777 2.305 ( -0.156 3.383 -4.579) 5.695 2.452 ( -4.463 2.705 -0.268) 5.226 2.712 ( 8.862 7.313 -3.851) 12.118 2.767 ( -3.540 0.629 1.057) 3.747 2.937 ( -2.195 -1.295 0.542) 2.605 2.999 ( 0.860 -1.055 0.160) 1.371 3.205 ( -1.636 -6.546 -0.447) 6.762 3.321 ( -2.204 -3.406 1.028) 4.185 3.470 ( -4.206 2.581 1.403) 5.131 3.968 ( 10.073 3.947 0.072) 10.819 4.201 ( -0.922 6.232 1.372) 6.448 4.313 ( 2.246 1.020 -0.222) 2.477 4.487 ( -2.563 -6.568 0.344) 7.059 4.654 ( 0.110 -2.741 0.227) 2.753 4.713 ( 0.020 -1.072 -1.058) 1.506 5.257 ( -1.805 -18.590 -0.108) 18.678 5.561 ( -1.872 14.894 -1.185) 15.057 6.281 ( -0.879 -6.969 -2.004) 7.304 7.561 ( 6.272 8.353 0.204) 10.448 8.193 ( -3.672 -7.163 -0.622) 8.073 8.659 ( -1.516 1.316 0.266) 2.025 8.775 ( -4.441 -0.242 -0.310) 4.458 8.888 ( -0.962 4.285 -0.063) 4.392 8.957 ( 2.301 5.852 0.638) 6.321 9.408 ( -1.197 -5.720 -0.018) 5.844 9.522 ( -2.583 0.207 -0.045) 2.591 9.617 ( -3.596 0.826 -0.140) 3.692 10.076 ( 5.398 6.619 0.668) 8.567 10.181 ( -6.001 -6.894 0.351) 9.147 10.458 ( 7.401 -3.143 -0.438) 8.053 10.694 ( 3.091 0.224 -0.129) 3.102 10.775 ( 1.368 -3.201 0.126) 3.483 10.979 ( -1.179 0.346 0.032) 1.229 11.058 ( -0.266 -1.960 -0.042) 1.978 13.558 ( -0.020 0.261 -0.007) 0.261 13.648 ( 0.040 -2.147 0.494) 2.203 ======================= Grid point 197 (107/116) ======================= q-point: (-0.25 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 6.24e-05 6.24e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.306 ( -6.711 3.731 12.657) 14.804 1.422 ( -7.017 9.681 10.164) 15.693 1.863 ( 0.766 -5.937 -2.813) 6.614 1.932 ( -7.470 12.356 -6.372) 15.782 2.029 ( -4.418 -5.456 -1.425) 7.164 2.090 ( -2.601 8.741 -4.141) 10.016 2.290 ( 0.344 6.273 4.101) 7.502 2.427 ( 1.067 2.959 -0.426) 3.175 2.651 ( -4.221 -4.845 -3.962) 7.549 2.766 ( -4.646 5.662 4.431) 8.560 2.882 ( -2.366 1.933 1.021) 3.221 3.024 ( 0.977 -2.909 0.240) 3.079 3.203 ( 0.212 -7.456 0.352) 7.467 3.378 ( 4.876 -6.290 0.365) 7.967 3.437 ( 2.089 10.379 -0.364) 10.594 4.070 ( 1.742 1.477 -0.095) 2.286 4.198 ( -0.324 5.328 0.902) 5.413 4.344 ( -0.252 -4.858 1.711) 5.156 4.460 ( -1.151 2.622 -0.091) 2.865 4.689 ( 0.969 -3.641 1.018) 3.903 4.705 ( 3.731 -1.855 -2.740) 4.987 5.200 ( -4.247 -15.979 -0.082) 16.534 5.501 ( -2.817 14.483 -2.433) 14.954 6.223 ( -2.479 -7.017 -4.502) 8.698 7.719 ( 9.789 5.972 -0.083) 11.467 8.096 ( -5.034 -1.328 -1.278) 5.361 8.597 ( -6.119 0.456 -0.464) 6.154 8.692 ( -3.174 -3.432 0.792) 4.742 8.875 ( -0.639 3.898 0.260) 3.958 9.006 ( 2.234 5.222 0.764) 5.731 9.365 ( -4.059 -1.106 0.557) 4.243 9.462 ( -2.464 1.513 0.171) 2.896 9.564 ( -1.697 -4.010 -0.561) 4.390 10.079 ( -4.876 -8.068 0.314) 9.432 10.213 ( 7.878 6.162 1.192) 10.072 10.587 ( 6.380 -2.756 -0.544) 6.971 10.755 ( 3.005 -0.408 -0.200) 3.039 10.791 ( -0.508 -2.751 0.503) 2.842 10.966 ( 0.255 0.825 0.166) 0.879 11.053 ( -0.244 -1.842 0.117) 1.862 13.562 ( 0.339 0.515 0.509) 0.800 13.657 ( 0.291 -2.004 1.042) 2.277 ======================= Grid point 198 (108/116) ======================= q-point: (-0.12 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 6.24e-05 6.24e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.268 ( -6.553 5.636 12.160) 14.919 1.421 ( -1.313 6.384 11.741) 13.429 1.687 ( -8.965 5.508 -6.709) 12.478 1.873 ( -0.952 3.925 -8.160) 9.105 1.947 ( 1.374 -7.860 -1.425) 8.106 2.053 ( -1.654 5.129 0.325) 5.399 2.302 ( -2.185 4.842 4.318) 6.845 2.437 ( -0.372 4.066 -0.557) 4.121 2.584 ( -1.533 -3.959 -0.492) 4.273 2.712 ( -1.599 4.011 1.555) 4.589 2.887 ( 1.016 2.823 2.238) 3.743 3.013 ( -1.831 -10.326 -0.323) 10.492 3.177 ( -1.819 -3.408 0.820) 3.949 3.442 ( 2.355 -12.282 -0.819) 12.533 3.548 ( 6.362 18.631 -0.009) 19.688 4.079 ( -0.331 1.753 0.655) 1.900 4.197 ( 0.207 4.206 -1.025) 4.334 4.345 ( -1.305 -2.765 2.673) 4.061 4.427 ( -0.769 5.002 -1.404) 5.252 4.673 ( -0.937 -1.571 0.080) 1.831 4.811 ( 5.366 -5.510 -1.011) 7.757 5.109 ( -4.681 -14.897 0.063) 15.616 5.435 ( -1.954 13.622 -2.621) 14.009 6.139 ( -2.527 -7.017 -4.698) 8.815 7.866 ( 3.209 3.963 -0.549) 5.129 8.057 ( 4.756 3.093 -0.833) 5.734 8.435 ( -10.123 0.396 -0.161) 10.132 8.659 ( -1.372 -6.889 0.530) 7.045 8.870 ( -0.123 4.159 0.389) 4.179 9.046 ( 1.460 4.868 0.512) 5.108 9.284 ( -3.877 5.104 0.373) 6.420 9.446 ( 0.032 -3.430 0.433) 3.458 9.538 ( -0.740 -4.465 -0.468) 4.550 10.006 ( -2.903 -8.897 0.164) 9.360 10.370 ( 7.299 5.201 1.000) 9.018 10.673 ( 2.422 -1.557 -0.667) 2.955 10.759 ( -1.835 -1.716 0.778) 2.630 10.796 ( 0.912 -2.246 -0.044) 2.424 10.989 ( 1.535 1.041 -0.108) 1.858 11.053 ( 0.142 -1.357 0.296) 1.397 13.578 ( 0.779 0.455 0.680) 1.130 13.671 ( 0.346 -1.909 1.078) 2.219 ======================= Grid point 199 (109/116) ======================= q-point: ( 0.00 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 6.24e-05 6.24e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.486 ( 2.012 10.582 3.839) 11.436 1.562 ( 0.954 2.695 3.494) 4.515 1.598 ( -1.614 -0.100 -0.073) 1.619 1.694 ( 1.552 -7.933 -3.846) 8.952 2.026 ( 1.794 3.476 -3.400) 5.183 2.078 ( 0.234 -0.614 -1.052) 1.241 2.360 ( -0.105 5.106 0.910) 5.188 2.490 ( 0.654 -5.395 0.927) 5.513 2.527 ( -1.453 5.946 0.064) 6.121 2.694 ( -1.607 -10.766 -0.146) 10.886 2.865 ( 0.776 9.442 0.277) 9.478 3.008 ( 0.620 3.358 0.610) 3.469 3.124 ( 0.449 -5.248 1.896) 5.598 3.162 ( -0.115 -11.068 -0.703) 11.091 4.030 ( -1.947 14.466 2.371) 14.788 4.140 ( -3.344 1.591 1.749) 4.095 4.173 ( 3.824 5.880 -1.723) 7.223 4.445 ( 1.564 -0.954 -1.460) 2.342 4.522 ( -0.286 6.072 -0.386) 6.091 4.649 ( 0.049 -0.512 0.599) 0.789 4.673 ( -0.822 -12.370 0.720) 12.418 4.725 ( -0.009 -9.934 -0.266) 9.938 5.666 ( -0.341 12.027 -2.325) 12.255 5.899 ( -0.714 -9.823 -2.481) 10.157 7.998 ( -0.381 7.375 -0.350) 7.393 8.155 ( -0.999 -6.789 -0.246) 6.866 8.334 ( 0.733 6.732 0.049) 6.772 8.484 ( 0.158 -7.491 0.140) 7.494 8.991 ( 0.392 6.430 0.106) 6.442 9.110 ( 0.294 -2.757 0.284) 2.787 9.315 ( 0.173 2.452 -0.167) 2.463 9.418 ( -0.022 -5.761 -0.129) 5.763 9.518 ( -0.013 10.188 -0.023) 10.188 9.757 ( 0.021 -11.392 -0.015) 11.392 10.572 ( -0.062 5.323 0.120) 5.325 10.654 ( 0.027 -1.418 -0.435) 1.483 10.714 ( 0.303 -1.945 0.483) 2.027 10.730 ( 0.070 -2.629 0.174) 2.636 11.027 ( 0.078 0.886 0.010) 0.890 11.042 ( 0.112 -0.634 0.144) 0.660 13.608 ( 0.231 1.175 0.262) 1.226 13.641 ( 0.189 -1.860 0.398) 1.911 ======================= Grid point 200 (110/116) ======================= q-point: ( 0.12 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 6.24e-05 6.24e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.545 ( 2.725 7.886 -1.573) 8.490 1.621 ( 4.870 3.366 0.379) 5.932 1.673 ( 4.995 -1.583 0.785) 5.299 1.716 ( 4.853 -6.396 -2.160) 8.315 2.029 ( 3.337 6.265 -3.589) 7.954 2.107 ( 2.542 -0.043 -0.408) 2.575 2.436 ( 6.836 5.726 0.062) 8.918 2.488 ( -2.035 4.394 1.162) 4.980 2.531 ( 0.213 -1.850 -0.660) 1.976 2.698 ( 3.201 -13.646 1.975) 14.155 2.901 ( 3.029 8.315 -0.673) 8.875 2.997 ( -1.681 3.246 -0.735) 3.729 3.122 ( -1.626 -4.278 -0.044) 4.577 3.160 ( 0.503 -11.721 -0.286) 11.735 3.941 ( -8.839 16.726 2.829) 19.128 4.096 ( -3.239 -0.467 2.068) 3.871 4.226 ( 3.262 3.266 -1.929) 5.002 4.380 ( -4.155 -3.478 -2.311) 5.891 4.534 ( 1.305 5.808 -0.033) 5.953 4.633 ( 0.086 -2.987 0.685) 3.066 4.696 ( -1.156 -2.266 0.676) 2.632 4.780 ( 4.862 -12.710 0.134) 13.609 5.673 ( 2.008 11.882 -0.100) 12.051 5.901 ( 1.721 -9.516 0.474) 9.682 7.962 ( -4.019 5.505 0.504) 6.835 8.053 ( -5.743 -2.107 0.766) 6.165 8.455 ( 8.702 1.719 -0.375) 8.878 8.528 ( 4.320 -5.195 -0.158) 6.758 8.998 ( 0.595 6.289 -0.661) 6.351 9.109 ( -0.286 -2.060 -0.398) 2.118 9.318 ( 0.305 1.572 -0.373) 1.644 9.415 ( -0.209 -5.643 0.002) 5.647 9.555 ( 3.791 10.230 0.005) 10.910 9.791 ( 3.510 -11.194 -0.030) 11.731 10.495 ( -6.227 5.602 -0.024) 8.376 10.605 ( -4.785 -4.429 -0.121) 6.522 10.744 ( 2.336 -0.230 -0.187) 2.355 10.760 ( 0.956 -1.356 -0.106) 1.662 11.014 ( -1.186 1.012 -0.186) 1.570 11.034 ( -0.771 -0.982 -0.164) 1.259 13.607 ( -0.360 1.202 -0.297) 1.290 13.641 ( -0.288 -1.975 -0.201) 2.006 ======================= Grid point 201 (111/116) ======================= q-point: ( 0.25 0.43 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 6.24e-05 6.24e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.567 ( 2.196 5.599 -4.545) 7.539 1.685 ( -0.184 -3.129 -2.992) 4.333 1.748 ( 7.527 3.178 0.091) 8.170 1.859 ( 7.569 -5.040 0.821) 9.130 2.140 ( 7.012 6.858 1.969) 10.004 2.177 ( 5.655 3.996 0.818) 6.972 2.434 ( -3.541 2.542 -0.916) 4.454 2.482 ( -1.412 -0.791 -2.464) 2.948 2.592 ( 7.517 7.167 -0.208) 10.389 2.827 ( 7.210 -12.409 0.858) 14.377 2.951 ( -1.812 2.627 -1.028) 3.352 2.955 ( 2.361 5.143 -0.224) 5.663 3.069 ( -3.343 -4.314 -1.679) 5.710 3.168 ( 0.408 -10.131 -0.722) 10.165 3.791 ( -7.258 18.006 2.513) 19.576 4.043 ( -3.078 -5.270 1.634) 6.318 4.264 ( 2.065 1.350 -2.031) 3.196 4.322 ( -0.406 -2.254 -1.683) 2.842 4.552 ( -0.572 5.769 0.015) 5.798 4.652 ( -0.860 -0.057 0.626) 1.065 4.658 ( -0.404 0.835 0.913) 1.301 4.842 ( 1.248 -15.712 -0.190) 15.762 5.733 ( 3.441 12.098 1.791) 12.704 5.963 ( 3.267 -9.462 2.683) 10.364 7.856 ( -6.401 7.359 0.728) 9.780 7.999 ( -1.631 -5.437 1.057) 5.774 8.602 ( 6.551 0.735 -0.038) 6.592 8.633 ( 6.640 -2.326 -0.119) 7.037 9.004 ( 0.719 5.871 -1.238) 6.043 9.095 ( -0.727 -0.549 -0.866) 1.256 9.322 ( 0.486 0.326 -0.568) 0.816 9.412 ( -0.064 -5.924 0.104) 5.925 9.651 ( 6.128 10.227 0.007) 11.922 9.880 ( 5.681 -10.694 -0.052) 12.110 10.367 ( -6.879 6.547 -0.396) 9.505 10.497 ( -6.386 -5.327 -0.159) 8.318 10.748 ( -1.964 -0.002 -0.104) 1.967 10.759 ( -0.904 -1.113 -0.198) 1.448 10.995 ( -0.166 1.071 -0.560) 1.220 11.022 ( -0.078 -1.505 -0.417) 1.563 13.594 ( -0.584 1.225 -0.607) 1.487 13.629 ( -0.611 -2.070 -0.580) 2.235 ======================= Grid point 202 (112/116) ======================= q-point: ( 0.38 0.43 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 6.24e-05 6.24e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.570 ( 1.033 3.748 -3.045) 4.939 1.650 ( -1.118 -2.778 -2.457) 3.874 1.894 ( 7.892 4.748 -0.705) 9.238 1.969 ( 2.587 -0.015 1.237) 2.867 2.234 ( 1.298 2.689 5.216) 6.010 2.250 ( -5.635 0.595 5.372) 7.808 2.405 ( 6.858 7.006 -6.097) 11.545 2.506 ( 5.896 -1.746 -4.409) 7.566 2.693 ( 3.420 6.830 0.295) 7.644 2.918 ( -0.181 -3.555 0.059) 3.560 2.945 ( 2.133 -7.094 -0.350) 7.416 2.962 ( -1.538 0.821 0.861) 1.944 2.980 ( -3.149 2.467 -2.630) 4.787 3.151 ( -1.279 -10.061 -1.416) 10.241 3.772 ( 4.186 16.667 1.582) 17.258 4.020 ( -0.987 -4.531 0.189) 4.641 4.271 ( 0.143 1.334 -1.763) 2.216 4.320 ( 0.565 -0.817 -0.722) 1.228 4.475 ( -6.245 8.230 1.479) 10.437 4.650 ( 1.101 2.435 0.263) 2.685 4.688 ( 1.414 -1.497 -0.012) 2.060 4.825 ( -2.268 -20.642 -0.530) 20.773 5.813 ( 3.145 12.328 2.140) 12.902 6.046 ( 3.061 -9.591 2.841) 10.461 7.762 ( -3.831 10.552 0.568) 11.240 7.987 ( -0.584 -10.163 0.977) 10.226 8.701 ( 3.918 2.230 0.063) 4.509 8.745 ( 4.644 -1.716 0.228) 4.956 9.007 ( 0.495 5.181 -1.254) 5.353 9.071 ( -1.058 1.192 -0.932) 1.846 9.327 ( 0.523 -0.525 -0.650) 0.986 9.414 ( 0.115 -6.420 0.110) 6.422 9.769 ( 5.836 10.099 0.013) 11.664 9.991 ( 5.798 -10.296 -0.057) 11.816 10.242 ( -5.623 6.819 -0.544) 8.855 10.371 ( -6.413 -5.045 -0.260) 8.163 10.700 ( -2.494 0.543 -0.093) 2.554 10.723 ( -2.086 -1.767 -0.068) 2.735 10.998 ( 0.614 0.782 -0.632) 1.178 11.023 ( 0.324 -1.572 -0.442) 1.665 13.580 ( -0.417 1.107 -0.546) 1.303 13.613 ( -0.556 -2.036 -0.551) 2.181 ======================= Grid point 203 (113/116) ======================= q-point: (-0.50 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 6.24e-05 6.24e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.555 ( -2.105 2.566 0.517) 3.359 1.610 ( -1.753 -1.380 -0.543) 2.296 1.950 ( -5.784 6.411 3.683) 9.387 2.014 ( 3.984 1.644 -1.448) 4.547 2.188 ( -0.746 4.470 3.495) 5.723 2.296 ( 4.113 -2.513 -0.723) 4.874 2.454 ( -1.443 5.928 -2.009) 6.423 2.553 ( -0.608 -2.028 -2.160) 3.025 2.768 ( 4.713 4.219 1.669) 6.542 2.836 ( -3.600 1.997 -4.261) 5.925 2.940 ( -0.628 1.997 0.931) 2.291 2.948 ( 0.712 -0.865 0.049) 1.122 2.986 ( -0.042 -5.690 -0.077) 5.691 3.126 ( 0.528 -11.979 -1.571) 12.093 3.904 ( 1.568 7.077 0.188) 7.251 3.956 ( -0.868 11.816 -0.430) 11.856 4.255 ( -0.473 0.658 -0.761) 1.112 4.319 ( -0.619 0.436 0.145) 0.771 4.422 ( -0.000 4.542 1.589) 4.812 4.666 ( 0.118 2.074 0.072) 2.079 4.703 ( 0.241 -1.147 -0.485) 1.269 4.785 ( -0.580 -24.512 -0.063) 24.519 5.866 ( 1.056 12.537 0.666) 12.599 6.103 ( 1.247 -9.802 0.922) 9.924 7.728 ( -0.002 11.966 0.378) 11.972 7.988 ( 0.162 -12.160 0.536) 12.173 8.741 ( 0.010 3.110 0.033) 3.110 8.795 ( 0.155 -1.836 0.157) 1.849 9.003 ( -0.178 4.547 -0.702) 4.604 9.050 ( -0.327 2.258 -0.431) 2.322 9.329 ( 0.072 -0.653 -0.537) 0.849 9.416 ( 0.104 -6.760 -0.007) 6.761 9.835 ( -0.013 10.229 0.044) 10.229 10.058 ( -0.166 -9.913 0.072) 9.914 10.178 ( -0.178 5.776 -0.238) 5.784 10.292 ( 0.035 -4.167 -0.273) 4.177 10.672 ( 0.018 0.725 -0.098) 0.732 10.700 ( -0.021 -2.043 -0.018) 2.044 11.000 ( -0.080 0.634 -0.350) 0.728 11.023 ( -0.043 -1.537 -0.263) 1.560 13.572 ( -0.125 0.994 -0.254) 1.034 13.603 ( -0.215 -1.941 -0.187) 1.962 ======================= Grid point 204 (114/116) ======================= q-point: (-0.38 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 6.24e-05 6.24e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.494 ( -5.324 5.351 3.745) 8.426 1.588 ( -1.407 -1.185 2.798) 3.349 1.848 ( -6.953 5.369 2.848) 9.235 1.990 ( -4.597 -5.661 0.426) 7.304 2.290 ( 5.648 8.819 2.008) 10.664 2.337 ( -5.561 6.283 -1.534) 8.530 2.366 ( 2.427 1.775 -5.292) 6.086 2.450 ( -6.869 -3.214 0.545) 7.603 2.725 ( -4.876 2.236 -2.469) 5.905 2.897 ( 4.982 -0.223 0.913) 5.070 2.926 ( -1.920 -2.979 1.521) 3.857 2.951 ( -2.511 -3.622 0.218) 4.413 2.984 ( 1.846 1.610 -1.043) 2.662 3.149 ( 2.183 -10.007 -1.214) 10.314 3.789 ( -4.138 16.920 0.006) 17.419 4.030 ( 2.119 -3.418 -0.593) 4.065 4.248 ( -0.397 2.576 0.286) 2.623 4.305 ( -1.033 0.608 0.753) 1.415 4.483 ( 4.971 6.017 0.846) 7.851 4.651 ( -1.443 1.452 0.203) 2.057 4.693 ( -0.730 -1.454 -0.688) 1.766 4.813 ( 2.253 -21.186 0.569) 21.313 5.857 ( -1.553 12.833 -1.658) 13.032 6.100 ( -1.132 -10.076 -1.911) 10.318 7.768 ( 3.925 10.812 0.104) 11.503 8.000 ( 0.913 -10.602 -0.140) 10.642 8.702 ( -3.970 2.435 0.004) 4.657 8.750 ( -4.756 -1.882 -0.164) 5.118 8.991 ( -0.672 5.102 0.074) 5.147 9.056 ( 0.768 1.128 0.360) 1.411 9.323 ( -0.360 -0.032 -0.267) 0.449 9.417 ( 0.024 -6.676 -0.166) 6.678 9.769 ( -5.877 10.021 0.040) 11.617 9.989 ( -5.871 -10.115 0.180) 11.697 10.233 ( 5.384 7.141 0.255) 8.947 10.369 ( 6.493 -5.414 -0.085) 8.454 10.699 ( 2.528 0.486 -0.054) 2.575 10.721 ( 1.974 -1.745 0.052) 2.635 10.990 ( -0.688 0.882 0.020) 1.119 11.018 ( -0.370 -1.685 -0.010) 1.726 13.572 ( 0.177 1.071 0.149) 1.095 13.604 ( 0.200 -1.897 0.328) 1.936 ======================= Grid point 205 (115/116) ======================= q-point: (-0.25 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 6.24e-05 6.24e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.438 ( -3.976 8.913 6.413) 11.679 1.594 ( -1.524 0.979 5.400) 5.696 1.735 ( -5.965 -0.910 0.634) 6.067 1.874 ( -8.208 -8.383 0.622) 11.749 2.166 ( -7.965 7.920 -2.366) 11.479 2.230 ( -7.293 2.342 -2.969) 8.215 2.421 ( 2.496 4.870 1.513) 5.678 2.472 ( 4.912 0.556 -1.170) 5.080 2.606 ( -5.556 4.361 -2.281) 7.423 2.838 ( -6.066 -11.333 -0.278) 12.857 2.919 ( -0.442 4.210 1.342) 4.441 2.955 ( -2.563 6.525 0.294) 7.016 3.025 ( 3.909 -5.907 1.980) 7.355 3.166 ( 0.177 -11.073 -0.548) 11.088 3.821 ( 6.707 18.058 -0.036) 19.264 4.067 ( 3.181 -4.706 -0.488) 5.701 4.230 ( -2.119 1.884 1.279) 3.110 4.300 ( 0.607 -0.667 0.166) 0.917 4.554 ( 0.617 4.913 -0.015) 4.952 4.639 ( -0.759 -1.305 1.449) 2.093 4.683 ( 1.546 -0.012 -1.261) 1.995 4.835 ( -0.959 -15.756 0.393) 15.790 5.793 ( -2.920 12.913 -3.383) 13.665 6.040 ( -2.693 -10.249 -4.055) 11.346 7.869 ( 6.584 7.750 -0.344) 10.175 8.021 ( 1.750 -5.851 -0.844) 6.165 8.603 ( -6.498 0.513 -0.040) 6.518 8.630 ( -7.252 -2.110 0.122) 7.553 8.983 ( -0.466 5.781 0.609) 5.832 9.076 ( 0.795 -0.914 0.797) 1.450 9.316 ( -0.236 1.131 -0.022) 1.156 9.416 ( 0.085 -6.163 -0.242) 6.168 9.651 ( -6.093 10.097 0.010) 11.793 9.877 ( -5.644 -10.591 0.138) 12.002 10.356 ( 6.989 7.005 0.563) 9.911 10.495 ( 6.584 -5.783 -0.032) 8.763 10.746 ( 1.817 -0.165 0.065) 1.826 10.754 ( 0.699 -0.924 0.190) 1.174 10.986 ( 0.426 1.111 0.246) 1.215 11.015 ( 0.143 -1.633 0.203) 1.652 13.581 ( 0.498 1.245 0.546) 1.448 13.614 ( 0.493 -1.895 0.745) 2.095 ======================= Grid point 206 (116/116) ======================= q-point: (-0.12 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 6.24e-05 6.24e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.439 ( -1.039 10.618 6.517) 12.501 1.571 ( -4.625 7.142 5.051) 9.895 1.678 ( -0.930 -7.788 -1.437) 7.974 1.714 ( -7.119 -8.493 1.046) 11.132 2.037 ( -1.983 7.191 -4.321) 8.620 2.119 ( -3.246 -0.050 -1.465) 3.562 2.407 ( -4.539 5.230 2.329) 7.306 2.505 ( -2.094 -3.634 0.816) 4.272 2.541 ( 1.030 6.172 -2.515) 6.743 2.740 ( -2.932 -11.743 -1.933) 12.256 2.877 ( -2.907 9.428 1.530) 9.984 2.972 ( 2.024 4.694 1.449) 5.313 3.091 ( 1.562 -5.347 2.201) 5.990 3.163 ( 0.167 -12.593 -0.273) 12.597 3.970 ( 6.964 17.133 0.513) 18.501 4.122 ( 2.497 0.812 -0.555) 2.684 4.191 ( -3.122 1.890 1.723) 4.036 4.357 ( 5.770 -1.905 -0.575) 6.103 4.539 ( -0.942 4.681 -0.535) 4.805 4.628 ( -0.556 -3.543 1.096) 3.750 4.711 ( 0.747 -2.995 -0.728) 3.171 4.777 ( -4.903 -12.502 0.286) 13.432 5.715 ( -2.364 12.532 -3.635) 13.261 5.957 ( -2.532 -10.152 -4.326) 11.322 7.977 ( 3.829 5.833 -0.805) 7.023 8.072 ( 5.460 -2.148 -0.972) 5.947 8.449 ( -9.059 1.592 0.179) 9.200 8.522 ( -4.245 -5.320 0.411) 6.818 8.983 ( 0.045 6.228 0.625) 6.259 9.096 ( 0.692 -2.379 0.780) 2.598 9.314 ( 0.022 2.176 -0.007) 2.176 9.417 ( 0.175 -5.731 -0.216) 5.738 9.555 ( -3.777 10.115 -0.040) 10.798 9.790 ( -3.454 -11.150 0.045) 11.673 10.490 ( 6.510 5.892 0.407) 8.790 10.607 ( 5.092 -4.745 -0.238) 6.964 10.734 ( -2.529 0.117 0.600) 2.602 10.757 ( -0.979 -1.634 0.122) 1.909 11.009 ( 1.497 0.895 0.150) 1.751 11.028 ( 0.933 -0.969 0.288) 1.375 13.596 ( 0.619 1.265 0.643) 1.548 13.630 ( 0.500 -1.862 0.799) 2.087 =================== 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 3/16464 10.0 338.659 320.076 307.852 0.000 -4.979 0.000 3/16464 20.0 68.556 67.313 59.497 0.000 2.028 0.000 3/16464 30.0 31.287 31.603 25.791 0.000 0.487 0.000 3/16464 40.0 19.292 20.218 15.420 0.000 0.124 0.000 3/16464 50.0 13.836 15.193 10.811 0.000 0.011 0.000 3/16464 60.0 10.819 12.442 8.296 0.000 -0.029 0.000 3/16464 70.0 8.921 10.679 6.732 0.000 -0.042 0.000 3/16464 80.0 7.615 9.422 5.668 0.000 -0.046 0.000 3/16464 90.0 6.660 8.460 4.898 0.000 -0.045 0.000 3/16464 100.0 5.928 7.690 4.315 0.000 -0.042 0.000 3/16464 110.0 5.348 7.055 3.857 0.000 -0.039 0.000 3/16464 120.0 4.876 6.521 3.489 0.000 -0.036 0.000 3/16464 130.0 4.484 6.063 3.186 0.000 -0.033 0.000 3/16464 140.0 4.153 5.666 2.932 0.000 -0.030 0.000 3/16464 150.0 3.868 5.318 2.716 0.000 -0.028 0.000 3/16464 160.0 3.622 5.010 2.531 0.000 -0.026 0.000 3/16464 170.0 3.405 4.737 2.369 0.000 -0.024 0.000 3/16464 180.0 3.214 4.491 2.228 0.000 -0.023 0.000 3/16464 190.0 3.044 4.270 2.102 0.000 -0.021 0.000 3/16464 200.0 2.891 4.070 1.990 0.000 -0.020 0.000 3/16464 210.0 2.753 3.887 1.890 0.000 -0.019 0.000 3/16464 220.0 2.627 3.720 1.800 0.000 -0.018 0.000 3/16464 230.0 2.513 3.567 1.718 0.000 -0.017 0.000 3/16464 240.0 2.409 3.426 1.643 0.000 -0.016 0.000 3/16464 250.0 2.313 3.296 1.574 0.000 -0.015 0.000 3/16464 260.0 2.224 3.175 1.511 0.000 -0.015 0.000 3/16464 270.0 2.142 3.063 1.453 0.000 -0.014 0.000 3/16464 280.0 2.066 2.958 1.400 0.000 -0.013 0.000 3/16464 290.0 1.995 2.861 1.350 0.000 -0.013 0.000 3/16464 300.0 1.929 2.769 1.304 0.000 -0.012 0.000 3/16464 310.0 1.867 2.683 1.260 0.000 -0.012 0.000 3/16464 320.0 1.809 2.603 1.220 0.000 -0.012 0.000 3/16464 330.0 1.755 2.527 1.182 0.000 -0.011 0.000 3/16464 340.0 1.704 2.455 1.147 0.000 -0.011 0.000 3/16464 350.0 1.655 2.387 1.113 0.000 -0.011 0.000 3/16464 360.0 1.610 2.323 1.082 0.000 -0.010 0.000 3/16464 370.0 1.567 2.262 1.052 0.000 -0.010 0.000 3/16464 380.0 1.526 2.205 1.024 0.000 -0.010 0.000 3/16464 390.0 1.487 2.150 0.997 0.000 -0.009 0.000 3/16464 400.0 1.450 2.098 0.972 0.000 -0.009 0.000 3/16464 410.0 1.415 2.048 0.948 0.000 -0.009 0.000 3/16464 420.0 1.382 2.001 0.925 0.000 -0.009 0.000 3/16464 430.0 1.350 1.956 0.903 0.000 -0.008 0.000 3/16464 440.0 1.319 1.912 0.882 0.000 -0.008 0.000 3/16464 450.0 1.290 1.871 0.862 0.000 -0.008 0.000 3/16464 460.0 1.262 1.831 0.843 0.000 -0.008 0.000 3/16464 470.0 1.236 1.793 0.825 0.000 -0.008 0.000 3/16464 480.0 1.210 1.757 0.808 0.000 -0.007 0.000 3/16464 490.0 1.186 1.722 0.791 0.000 -0.007 0.000 3/16464 500.0 1.162 1.688 0.775 0.000 -0.007 0.000 3/16464 510.0 1.139 1.656 0.760 0.000 -0.007 0.000 3/16464 520.0 1.118 1.625 0.745 0.000 -0.007 0.000 3/16464 530.0 1.097 1.595 0.731 0.000 -0.007 0.000 3/16464 540.0 1.077 1.566 0.717 0.000 -0.007 0.000 3/16464 550.0 1.057 1.538 0.704 0.000 -0.006 0.000 3/16464 560.0 1.038 1.511 0.692 0.000 -0.006 0.000 3/16464 570.0 1.020 1.485 0.679 0.000 -0.006 0.000 3/16464 580.0 1.003 1.460 0.668 0.000 -0.006 0.000 3/16464 590.0 0.986 1.436 0.656 0.000 -0.006 0.000 3/16464 600.0 0.970 1.412 0.645 0.000 -0.006 0.000 3/16464 610.0 0.954 1.390 0.635 0.000 -0.006 0.000 3/16464 620.0 0.939 1.368 0.624 0.000 -0.006 0.000 3/16464 630.0 0.924 1.346 0.614 0.000 -0.006 0.000 3/16464 640.0 0.910 1.326 0.605 0.000 -0.006 0.000 3/16464 650.0 0.896 1.306 0.595 0.000 -0.005 0.000 3/16464 660.0 0.882 1.286 0.586 0.000 -0.005 0.000 3/16464 670.0 0.869 1.267 0.577 0.000 -0.005 0.000 3/16464 680.0 0.856 1.249 0.569 0.000 -0.005 0.000 3/16464 690.0 0.844 1.231 0.561 0.000 -0.005 0.000 3/16464 700.0 0.832 1.214 0.553 0.000 -0.005 0.000 3/16464 710.0 0.820 1.197 0.545 0.000 -0.005 0.000 3/16464 720.0 0.809 1.181 0.537 0.000 -0.005 0.000 3/16464 730.0 0.798 1.165 0.530 0.000 -0.005 0.000 3/16464 740.0 0.787 1.149 0.523 0.000 -0.005 0.000 3/16464 750.0 0.777 1.134 0.516 0.000 -0.005 0.000 3/16464 760.0 0.767 1.120 0.509 0.000 -0.005 0.000 3/16464 770.0 0.757 1.105 0.502 0.000 -0.005 0.000 3/16464 780.0 0.747 1.091 0.496 0.000 -0.005 0.000 3/16464 790.0 0.738 1.078 0.489 0.000 -0.004 0.000 3/16464 800.0 0.729 1.064 0.483 0.000 -0.004 0.000 3/16464 810.0 0.720 1.052 0.477 0.000 -0.004 0.000 3/16464 820.0 0.711 1.039 0.472 0.000 -0.004 0.000 3/16464 830.0 0.702 1.027 0.466 0.000 -0.004 0.000 3/16464 840.0 0.694 1.014 0.460 0.000 -0.004 0.000 3/16464 850.0 0.686 1.003 0.455 0.000 -0.004 0.000 3/16464 860.0 0.678 0.991 0.450 0.000 -0.004 0.000 3/16464 870.0 0.670 0.980 0.444 0.000 -0.004 0.000 3/16464 880.0 0.663 0.969 0.439 0.000 -0.004 0.000 3/16464 890.0 0.655 0.958 0.434 0.000 -0.004 0.000 3/16464 900.0 0.648 0.948 0.430 0.000 -0.004 0.000 3/16464 910.0 0.641 0.937 0.425 0.000 -0.004 0.000 3/16464 920.0 0.634 0.927 0.420 0.000 -0.004 0.000 3/16464 930.0 0.627 0.918 0.416 0.000 -0.004 0.000 3/16464 940.0 0.621 0.908 0.411 0.000 -0.004 0.000 3/16464 950.0 0.614 0.898 0.407 0.000 -0.004 0.000 3/16464 960.0 0.608 0.889 0.403 0.000 -0.004 0.000 3/16464 970.0 0.602 0.880 0.398 0.000 -0.004 0.000 3/16464 980.0 0.595 0.871 0.394 0.000 -0.004 0.000 3/16464 990.0 0.590 0.863 0.390 0.000 -0.004 0.000 3/16464 1000.0 0.584 0.854 0.387 0.000 -0.004 0.000 3/16464 Thermal conductivity related properties were written into "kappa-m877.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 07:44:49]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|