----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 05:18:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 3] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) Number of symmetry operations in supercell: 96 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.807043150000000 -6.119307370000000 0.000000000000000 b 2.807043150000000 6.119307370000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.571479569999998 Atomic positions (fractional): *1 O 0.23894565310197 0.23894565310197 0.00000000000000 15.999 2 O 0.76105434689803 0.76105434689803 0.50000000000000 15.999 3 O 0.76105434689803 0.76105434689803 0.00000000000000 15.999 4 O 0.23894565310197 0.23894565310197 0.50000000000000 15.999 *5 Cl 0.25465968240822 0.74534031759178 0.25000000000000 35.453 6 Cl 0.74534031759178 0.25465968240822 0.75000000000000 35.453 *7 Pb 0.60843542812235 0.39156457187765 0.25000000000000 207.200 8 Pb 0.39156457187765 0.60843542812235 0.75000000000000 207.200 *9 Bi 0.90846973650600 0.09153026349400 0.25000000000000 208.980 10 Bi 0.09153026349400 0.90846973650600 0.75000000000000 208.980 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.614086299999999 0.000000000000000 0.000000000000000 b 0.000000000000000 12.238614739999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.571479569999999 Atomic positions (fractional): *1 O 0.23894565310197 0.00000000000000 0.00000000000000 15.999 > 1 2 O 0.76105434689803 0.00000000000000 0.50000000000000 15.999 > 2 3 O 0.76105434689803 0.00000000000000 0.00000000000000 15.999 > 3 4 O 0.23894565310197 0.00000000000000 0.50000000000000 15.999 > 4 5 O 0.73894565310197 0.50000000000000 0.00000000000000 15.999 > 1 6 O 0.26105434689803 0.50000000000000 0.50000000000000 15.999 > 2 7 O 0.26105434689803 0.50000000000000 0.00000000000000 15.999 > 3 8 O 0.73894565310197 0.50000000000000 0.50000000000000 15.999 > 4 *9 Cl 0.50000000000000 0.24534031759178 0.25000000000000 35.453 > 5 10 Cl 0.00000000000000 0.25465968240822 0.75000000000000 35.453 > 6 11 Cl 0.00000000000000 0.74534031759178 0.25000000000000 35.453 > 5 12 Cl 0.50000000000000 0.75465968240822 0.75000000000000 35.453 > 6 *13 Pb 0.00000000000000 0.39156457187765 0.25000000000000 207.200 > 7 14 Pb 0.50000000000000 0.10843542812235 0.75000000000000 207.200 > 8 15 Pb 0.50000000000000 0.89156457187765 0.25000000000000 207.200 > 7 16 Pb 0.00000000000000 0.60843542812235 0.75000000000000 207.200 > 8 *17 Bi 0.00000000000000 0.09153026349400 0.25000000000000 208.980 > 9 18 Bi 0.50000000000000 0.40846973650600 0.75000000000000 208.980 > 10 19 Bi 0.50000000000000 0.59153026349400 0.25000000000000 208.980 > 9 20 Bi 0.00000000000000 0.90846973650600 0.75000000000000 208.980 > 10 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.228172599999999 0.000000000000000 0.000000000000000 b 0.000000000000000 12.238614739999999 0.000000000000000 c 0.000000000000000 0.000000000000000 16.714438709999996 Atomic positions (fractional): *1 O 0.11947282655098 0.00000000000000 0.00000000000000 15.999 > 1 2 O 0.61947282655098 0.00000000000000 0.00000000000000 15.999 > 1 3 O 0.11947282655098 0.00000000000000 0.33333333333333 15.999 > 1 4 O 0.61947282655098 0.00000000000000 0.33333333333333 15.999 > 1 5 O 0.11947282655098 0.00000000000000 0.66666666666667 15.999 > 1 6 O 0.61947282655098 0.00000000000000 0.66666666666667 15.999 > 1 7 O 0.38052717344902 0.00000000000000 0.16666666666667 15.999 > 2 8 O 0.88052717344902 0.00000000000000 0.16666666666667 15.999 > 2 9 O 0.38052717344902 0.00000000000000 0.50000000000000 15.999 > 2 10 O 0.88052717344902 0.00000000000000 0.50000000000000 15.999 > 2 11 O 0.38052717344902 0.00000000000000 0.83333333333333 15.999 > 2 12 O 0.88052717344902 0.00000000000000 0.83333333333333 15.999 > 2 13 O 0.38052717344902 0.00000000000000 0.00000000000000 15.999 > 3 14 O 0.88052717344902 0.00000000000000 0.00000000000000 15.999 > 3 15 O 0.38052717344902 0.00000000000000 0.33333333333333 15.999 > 3 16 O 0.88052717344902 0.00000000000000 0.33333333333333 15.999 > 3 17 O 0.38052717344902 0.00000000000000 0.66666666666667 15.999 > 3 18 O 0.88052717344902 0.00000000000000 0.66666666666667 15.999 > 3 19 O 0.11947282655098 0.00000000000000 0.16666666666667 15.999 > 4 20 O 0.61947282655098 0.00000000000000 0.16666666666667 15.999 > 4 21 O 0.11947282655098 0.00000000000000 0.50000000000000 15.999 > 4 22 O 0.61947282655098 0.00000000000000 0.50000000000000 15.999 > 4 23 O 0.11947282655098 0.00000000000000 0.83333333333333 15.999 > 4 24 O 0.61947282655098 0.00000000000000 0.83333333333333 15.999 > 4 25 O 0.36947282655098 0.50000000000000 0.00000000000000 15.999 > 1 26 O 0.86947282655098 0.50000000000000 0.00000000000000 15.999 > 1 27 O 0.36947282655098 0.50000000000000 0.33333333333333 15.999 > 1 28 O 0.86947282655098 0.50000000000000 0.33333333333333 15.999 > 1 29 O 0.36947282655098 0.50000000000000 0.66666666666667 15.999 > 1 30 O 0.86947282655098 0.50000000000000 0.66666666666667 15.999 > 1 31 O 0.13052717344902 0.50000000000000 0.16666666666667 15.999 > 2 32 O 0.63052717344902 0.50000000000000 0.16666666666667 15.999 > 2 33 O 0.13052717344902 0.50000000000000 0.50000000000000 15.999 > 2 34 O 0.63052717344902 0.50000000000000 0.50000000000000 15.999 > 2 35 O 0.13052717344902 0.50000000000000 0.83333333333333 15.999 > 2 36 O 0.63052717344902 0.50000000000000 0.83333333333333 15.999 > 2 37 O 0.13052717344902 0.50000000000000 0.00000000000000 15.999 > 3 38 O 0.63052717344902 0.50000000000000 0.00000000000000 15.999 > 3 39 O 0.13052717344902 0.50000000000000 0.33333333333333 15.999 > 3 40 O 0.63052717344902 0.50000000000000 0.33333333333333 15.999 > 3 41 O 0.13052717344902 0.50000000000000 0.66666666666667 15.999 > 3 42 O 0.63052717344902 0.50000000000000 0.66666666666667 15.999 > 3 43 O 0.36947282655098 0.50000000000000 0.16666666666667 15.999 > 4 44 O 0.86947282655098 0.50000000000000 0.16666666666667 15.999 > 4 45 O 0.36947282655098 0.50000000000000 0.50000000000000 15.999 > 4 46 O 0.86947282655098 0.50000000000000 0.50000000000000 15.999 > 4 47 O 0.36947282655098 0.50000000000000 0.83333333333333 15.999 > 4 48 O 0.86947282655098 0.50000000000000 0.83333333333333 15.999 > 4 *49 Cl 0.25000000000000 0.24534031759178 0.08333333333333 35.453 > 5 50 Cl 0.75000000000000 0.24534031759178 0.08333333333333 35.453 > 5 51 Cl 0.25000000000000 0.24534031759178 0.41666666666667 35.453 > 5 52 Cl 0.75000000000000 0.24534031759178 0.41666666666667 35.453 > 5 53 Cl 0.25000000000000 0.24534031759178 0.75000000000000 35.453 > 5 54 Cl 0.75000000000000 0.24534031759178 0.75000000000000 35.453 > 5 55 Cl 0.00000000000000 0.25465968240822 0.25000000000000 35.453 > 6 56 Cl 0.50000000000000 0.25465968240822 0.25000000000000 35.453 > 6 57 Cl 0.00000000000000 0.25465968240822 0.58333333333333 35.453 > 6 58 Cl 0.50000000000000 0.25465968240822 0.58333333333333 35.453 > 6 59 Cl 0.00000000000000 0.25465968240822 0.91666666666667 35.453 > 6 60 Cl 0.50000000000000 0.25465968240822 0.91666666666667 35.453 > 6 61 Cl 0.00000000000000 0.74534031759178 0.08333333333333 35.453 > 5 62 Cl 0.50000000000000 0.74534031759178 0.08333333333333 35.453 > 5 63 Cl 0.00000000000000 0.74534031759178 0.41666666666667 35.453 > 5 64 Cl 0.50000000000000 0.74534031759178 0.41666666666667 35.453 > 5 65 Cl 0.00000000000000 0.74534031759178 0.75000000000000 35.453 > 5 66 Cl 0.50000000000000 0.74534031759178 0.75000000000000 35.453 > 5 67 Cl 0.25000000000000 0.75465968240822 0.25000000000000 35.453 > 6 68 Cl 0.75000000000000 0.75465968240822 0.25000000000000 35.453 > 6 69 Cl 0.25000000000000 0.75465968240822 0.58333333333333 35.453 > 6 70 Cl 0.75000000000000 0.75465968240822 0.58333333333333 35.453 > 6 71 Cl 0.25000000000000 0.75465968240822 0.91666666666667 35.453 > 6 72 Cl 0.75000000000000 0.75465968240822 0.91666666666667 35.453 > 6 *73 Pb 0.00000000000000 0.39156457187765 0.08333333333333 207.200 > 7 74 Pb 0.50000000000000 0.39156457187765 0.08333333333333 207.200 > 7 75 Pb 0.00000000000000 0.39156457187765 0.41666666666667 207.200 > 7 76 Pb 0.50000000000000 0.39156457187765 0.41666666666667 207.200 > 7 77 Pb 0.00000000000000 0.39156457187765 0.75000000000000 207.200 > 7 78 Pb 0.50000000000000 0.39156457187765 0.75000000000000 207.200 > 7 79 Pb 0.25000000000000 0.10843542812235 0.25000000000000 207.200 > 8 80 Pb 0.75000000000000 0.10843542812235 0.25000000000000 207.200 > 8 81 Pb 0.25000000000000 0.10843542812235 0.58333333333333 207.200 > 8 82 Pb 0.75000000000000 0.10843542812235 0.58333333333333 207.200 > 8 83 Pb 0.25000000000000 0.10843542812235 0.91666666666667 207.200 > 8 84 Pb 0.75000000000000 0.10843542812235 0.91666666666667 207.200 > 8 85 Pb 0.25000000000000 0.89156457187765 0.08333333333333 207.200 > 7 86 Pb 0.75000000000000 0.89156457187765 0.08333333333333 207.200 > 7 87 Pb 0.25000000000000 0.89156457187765 0.41666666666667 207.200 > 7 88 Pb 0.75000000000000 0.89156457187765 0.41666666666667 207.200 > 7 89 Pb 0.25000000000000 0.89156457187765 0.75000000000000 207.200 > 7 90 Pb 0.75000000000000 0.89156457187765 0.75000000000000 207.200 > 7 91 Pb 0.00000000000000 0.60843542812235 0.25000000000000 207.200 > 8 92 Pb 0.50000000000000 0.60843542812235 0.25000000000000 207.200 > 8 93 Pb 0.00000000000000 0.60843542812235 0.58333333333333 207.200 > 8 94 Pb 0.50000000000000 0.60843542812235 0.58333333333333 207.200 > 8 95 Pb 0.00000000000000 0.60843542812235 0.91666666666667 207.200 > 8 96 Pb 0.50000000000000 0.60843542812235 0.91666666666667 207.200 > 8 *97 Bi 0.00000000000000 0.09153026349400 0.08333333333333 208.980 > 9 98 Bi 0.50000000000000 0.09153026349400 0.08333333333333 208.980 > 9 99 Bi 0.00000000000000 0.09153026349400 0.41666666666667 208.980 > 9 100 Bi 0.50000000000000 0.09153026349400 0.41666666666667 208.980 > 9 101 Bi 0.00000000000000 0.09153026349400 0.75000000000000 208.980 > 9 102 Bi 0.50000000000000 0.09153026349400 0.75000000000000 208.980 > 9 103 Bi 0.25000000000000 0.40846973650600 0.25000000000000 208.980 > 10 104 Bi 0.75000000000000 0.40846973650600 0.25000000000000 208.980 > 10 105 Bi 0.25000000000000 0.40846973650600 0.58333333333333 208.980 > 10 106 Bi 0.75000000000000 0.40846973650600 0.58333333333333 208.980 > 10 107 Bi 0.25000000000000 0.40846973650600 0.91666666666667 208.980 > 10 108 Bi 0.75000000000000 0.40846973650600 0.91666666666667 208.980 > 10 109 Bi 0.25000000000000 0.59153026349400 0.08333333333333 208.980 > 9 110 Bi 0.75000000000000 0.59153026349400 0.08333333333333 208.980 > 9 111 Bi 0.25000000000000 0.59153026349400 0.41666666666667 208.980 > 9 112 Bi 0.75000000000000 0.59153026349400 0.41666666666667 208.980 > 9 113 Bi 0.25000000000000 0.59153026349400 0.75000000000000 208.980 > 9 114 Bi 0.75000000000000 0.59153026349400 0.75000000000000 208.980 > 9 115 Bi 0.00000000000000 0.90846973650600 0.25000000000000 208.980 > 10 116 Bi 0.50000000000000 0.90846973650600 0.25000000000000 208.980 > 10 117 Bi 0.00000000000000 0.90846973650600 0.58333333333333 208.980 > 10 118 Bi 0.50000000000000 0.90846973650600 0.58333333333333 208.980 > 10 119 Bi 0.00000000000000 0.90846973650600 0.91666666666667 208.980 > 10 120 Bi 0.50000000000000 0.90846973650600 0.91666666666667 208.980 > 10 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.1054025 0.0000000 0.0000000 0.0000000 5.6717330 0.0000000 0.0000000 0.0000000 6.2312494 -------------------------- Born effective charges -------------------------- 1 O -3.0191724 0.0000000 0.0000000 0.0000000 -2.1750649 -0.1146737 0.0000000 -0.4006680 -3.1566409 2 O -3.0191724 0.0000000 0.0000000 0.0000000 -2.1750649 0.1146737 0.0000000 0.4006680 -3.1566409 3 O -3.0191724 0.0000000 0.0000000 0.0000000 -2.1750649 -0.1146737 0.0000000 -0.4006680 -3.1566409 4 O -3.0191724 0.0000000 0.0000000 0.0000000 -2.1750649 0.1146737 0.0000000 0.4006680 -3.1566409 5 Cl -1.9706613 0.0000000 0.0000000 0.0000000 -1.8586501 0.0000000 0.0000000 0.0000000 -2.0094492 6 Cl -1.9706613 0.0000000 0.0000000 0.0000000 -1.8586501 0.0000000 0.0000000 0.0000000 -2.0094492 7 Pb 3.7996465 0.0000000 0.0000000 0.0000000 2.8875703 0.0000000 0.0000000 0.0000000 3.4659635 8 Pb 3.7996465 0.0000000 0.0000000 0.0000000 2.8875703 0.0000000 0.0000000 0.0000000 3.4659635 9 Bi 4.2093596 0.0000000 0.0000000 0.0000000 3.3212095 0.0000000 0.0000000 0.0000000 4.8567676 10 Bi 4.2093596 0.0000000 0.0000000 0.0000000 3.3212095 0.0000000 0.0000000 0.0000000 4.8567676 ---------------------------------------------------------------------------- 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: 360/360 Permutation basis: 6366/6366 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 796 Number of blocks in projector: 796 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: 158 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 136 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 136 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 136 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 124 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 106 Use standard eigh solver. Tree of FC basis block matrices: - (796, 782), data: False |-- (106, 106), data: True |-- (124, 124), data: True |-- (136, 132), data: True |-- (136, 132), data: True |-- (136, 132), data: True |-- (158, 156), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 160 - Time: 0.770 Solver_block: 160 / 160 - Time: 0.502 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.286 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 360/360 Permutation basis: 6366/6366 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 796 Number of blocks in projector: 796 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: 158 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 136 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 136 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 136 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 124 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 106 Use standard eigh solver. Tree of FC basis block matrices: - (796, 782), data: False |-- (106, 106), data: True |-- (124, 124), data: True |-- (136, 132), data: True |-- (136, 132), data: True |-- (136, 132), data: True |-- (158, 156), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) 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 05:18:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:18:43]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 3] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.807043150000000 -6.119307370000000 0.000000000000000 b 2.807043150000000 6.119307370000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.571479569999998 Atomic positions (fractional): 1 O 0.23894565310197 0.23894565310197 0.00000000000000 15.999 2 O 0.76105434689803 0.76105434689803 0.50000000000000 15.999 3 O 0.76105434689803 0.76105434689803 0.00000000000000 15.999 4 O 0.23894565310197 0.23894565310197 0.50000000000000 15.999 5 Cl 0.25465968240822 0.74534031759178 0.25000000000000 35.453 6 Cl 0.74534031759178 0.25465968240822 0.75000000000000 35.453 7 Pb 0.60843542812235 0.39156457187765 0.25000000000000 207.200 8 Pb 0.39156457187765 0.60843542812235 0.75000000000000 207.200 9 Bi 0.90846973650600 0.09153026349400 0.25000000000000 208.980 10 Bi 0.09153026349400 0.90846973650600 0.75000000000000 208.980 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.228172599999999 0.000000000000000 0.000000000000000 b 0.000000000000000 12.238614739999999 0.000000000000000 c 0.000000000000000 0.000000000000000 16.714438709999996 Atomic positions (fractional): 1 O 0.11947282655098 0.00000000000000 0.00000000000000 15.999 > 1 2 O 0.61947282655098 0.00000000000000 0.00000000000000 15.999 > 1 3 O 0.11947282655098 0.00000000000000 0.33333333333333 15.999 > 1 4 O 0.61947282655098 0.00000000000000 0.33333333333333 15.999 > 1 5 O 0.11947282655098 0.00000000000000 0.66666666666667 15.999 > 1 6 O 0.61947282655098 0.00000000000000 0.66666666666667 15.999 > 1 7 O 0.38052717344902 0.00000000000000 0.16666666666667 15.999 > 7 8 O 0.88052717344902 0.00000000000000 0.16666666666667 15.999 > 7 9 O 0.38052717344902 0.00000000000000 0.50000000000000 15.999 > 7 10 O 0.88052717344902 0.00000000000000 0.50000000000000 15.999 > 7 11 O 0.38052717344902 0.00000000000000 0.83333333333333 15.999 > 7 12 O 0.88052717344902 0.00000000000000 0.83333333333333 15.999 > 7 13 O 0.38052717344902 0.00000000000000 0.00000000000000 15.999 > 13 14 O 0.88052717344902 0.00000000000000 0.00000000000000 15.999 > 13 15 O 0.38052717344902 0.00000000000000 0.33333333333333 15.999 > 13 16 O 0.88052717344902 0.00000000000000 0.33333333333333 15.999 > 13 17 O 0.38052717344902 0.00000000000000 0.66666666666667 15.999 > 13 18 O 0.88052717344902 0.00000000000000 0.66666666666667 15.999 > 13 19 O 0.11947282655098 0.00000000000000 0.16666666666667 15.999 > 19 20 O 0.61947282655098 0.00000000000000 0.16666666666667 15.999 > 19 21 O 0.11947282655098 0.00000000000000 0.50000000000000 15.999 > 19 22 O 0.61947282655098 0.00000000000000 0.50000000000000 15.999 > 19 23 O 0.11947282655098 0.00000000000000 0.83333333333333 15.999 > 19 24 O 0.61947282655098 0.00000000000000 0.83333333333333 15.999 > 19 25 O 0.36947282655098 0.50000000000000 0.00000000000000 15.999 > 1 26 O 0.86947282655098 0.50000000000000 0.00000000000000 15.999 > 1 27 O 0.36947282655098 0.50000000000000 0.33333333333333 15.999 > 1 28 O 0.86947282655098 0.50000000000000 0.33333333333333 15.999 > 1 29 O 0.36947282655098 0.50000000000000 0.66666666666667 15.999 > 1 30 O 0.86947282655098 0.50000000000000 0.66666666666667 15.999 > 1 31 O 0.13052717344902 0.50000000000000 0.16666666666667 15.999 > 7 32 O 0.63052717344902 0.50000000000000 0.16666666666667 15.999 > 7 33 O 0.13052717344902 0.50000000000000 0.50000000000000 15.999 > 7 34 O 0.63052717344902 0.50000000000000 0.50000000000000 15.999 > 7 35 O 0.13052717344902 0.50000000000000 0.83333333333333 15.999 > 7 36 O 0.63052717344902 0.50000000000000 0.83333333333333 15.999 > 7 37 O 0.13052717344902 0.50000000000000 0.00000000000000 15.999 > 13 38 O 0.63052717344902 0.50000000000000 0.00000000000000 15.999 > 13 39 O 0.13052717344902 0.50000000000000 0.33333333333333 15.999 > 13 40 O 0.63052717344902 0.50000000000000 0.33333333333333 15.999 > 13 41 O 0.13052717344902 0.50000000000000 0.66666666666667 15.999 > 13 42 O 0.63052717344902 0.50000000000000 0.66666666666667 15.999 > 13 43 O 0.36947282655098 0.50000000000000 0.16666666666667 15.999 > 19 44 O 0.86947282655098 0.50000000000000 0.16666666666667 15.999 > 19 45 O 0.36947282655098 0.50000000000000 0.50000000000000 15.999 > 19 46 O 0.86947282655098 0.50000000000000 0.50000000000000 15.999 > 19 47 O 0.36947282655098 0.50000000000000 0.83333333333333 15.999 > 19 48 O 0.86947282655098 0.50000000000000 0.83333333333333 15.999 > 19 49 Cl 0.25000000000000 0.24534031759178 0.08333333333333 35.453 > 49 50 Cl 0.75000000000000 0.24534031759178 0.08333333333333 35.453 > 49 51 Cl 0.25000000000000 0.24534031759178 0.41666666666667 35.453 > 49 52 Cl 0.75000000000000 0.24534031759178 0.41666666666667 35.453 > 49 53 Cl 0.25000000000000 0.24534031759178 0.75000000000000 35.453 > 49 54 Cl 0.75000000000000 0.24534031759178 0.75000000000000 35.453 > 49 55 Cl 0.00000000000000 0.25465968240822 0.25000000000000 35.453 > 55 56 Cl 0.50000000000000 0.25465968240822 0.25000000000000 35.453 > 55 57 Cl 0.00000000000000 0.25465968240822 0.58333333333333 35.453 > 55 58 Cl 0.50000000000000 0.25465968240822 0.58333333333333 35.453 > 55 59 Cl 0.00000000000000 0.25465968240822 0.91666666666667 35.453 > 55 60 Cl 0.50000000000000 0.25465968240822 0.91666666666667 35.453 > 55 61 Cl 0.00000000000000 0.74534031759178 0.08333333333333 35.453 > 49 62 Cl 0.50000000000000 0.74534031759178 0.08333333333333 35.453 > 49 63 Cl 0.00000000000000 0.74534031759178 0.41666666666667 35.453 > 49 64 Cl 0.50000000000000 0.74534031759178 0.41666666666667 35.453 > 49 65 Cl 0.00000000000000 0.74534031759178 0.75000000000000 35.453 > 49 66 Cl 0.50000000000000 0.74534031759178 0.75000000000000 35.453 > 49 67 Cl 0.25000000000000 0.75465968240822 0.25000000000000 35.453 > 55 68 Cl 0.75000000000000 0.75465968240822 0.25000000000000 35.453 > 55 69 Cl 0.25000000000000 0.75465968240822 0.58333333333333 35.453 > 55 70 Cl 0.75000000000000 0.75465968240822 0.58333333333333 35.453 > 55 71 Cl 0.25000000000000 0.75465968240822 0.91666666666667 35.453 > 55 72 Cl 0.75000000000000 0.75465968240822 0.91666666666667 35.453 > 55 73 Pb 0.00000000000000 0.39156457187765 0.08333333333333 207.200 > 73 74 Pb 0.50000000000000 0.39156457187765 0.08333333333333 207.200 > 73 75 Pb 0.00000000000000 0.39156457187765 0.41666666666667 207.200 > 73 76 Pb 0.50000000000000 0.39156457187765 0.41666666666667 207.200 > 73 77 Pb 0.00000000000000 0.39156457187765 0.75000000000000 207.200 > 73 78 Pb 0.50000000000000 0.39156457187765 0.75000000000000 207.200 > 73 79 Pb 0.25000000000000 0.10843542812235 0.25000000000000 207.200 > 79 80 Pb 0.75000000000000 0.10843542812235 0.25000000000000 207.200 > 79 81 Pb 0.25000000000000 0.10843542812235 0.58333333333333 207.200 > 79 82 Pb 0.75000000000000 0.10843542812235 0.58333333333333 207.200 > 79 83 Pb 0.25000000000000 0.10843542812235 0.91666666666667 207.200 > 79 84 Pb 0.75000000000000 0.10843542812235 0.91666666666667 207.200 > 79 85 Pb 0.25000000000000 0.89156457187765 0.08333333333333 207.200 > 73 86 Pb 0.75000000000000 0.89156457187765 0.08333333333333 207.200 > 73 87 Pb 0.25000000000000 0.89156457187765 0.41666666666667 207.200 > 73 88 Pb 0.75000000000000 0.89156457187765 0.41666666666667 207.200 > 73 89 Pb 0.25000000000000 0.89156457187765 0.75000000000000 207.200 > 73 90 Pb 0.75000000000000 0.89156457187765 0.75000000000000 207.200 > 73 91 Pb 0.00000000000000 0.60843542812235 0.25000000000000 207.200 > 79 92 Pb 0.50000000000000 0.60843542812235 0.25000000000000 207.200 > 79 93 Pb 0.00000000000000 0.60843542812235 0.58333333333333 207.200 > 79 94 Pb 0.50000000000000 0.60843542812235 0.58333333333333 207.200 > 79 95 Pb 0.00000000000000 0.60843542812235 0.91666666666667 207.200 > 79 96 Pb 0.50000000000000 0.60843542812235 0.91666666666667 207.200 > 79 97 Bi 0.00000000000000 0.09153026349400 0.08333333333333 208.980 > 97 98 Bi 0.50000000000000 0.09153026349400 0.08333333333333 208.980 > 97 99 Bi 0.00000000000000 0.09153026349400 0.41666666666667 208.980 > 97 100 Bi 0.50000000000000 0.09153026349400 0.41666666666667 208.980 > 97 101 Bi 0.00000000000000 0.09153026349400 0.75000000000000 208.980 > 97 102 Bi 0.50000000000000 0.09153026349400 0.75000000000000 208.980 > 97 103 Bi 0.25000000000000 0.40846973650600 0.25000000000000 208.980 > 103 104 Bi 0.75000000000000 0.40846973650600 0.25000000000000 208.980 > 103 105 Bi 0.25000000000000 0.40846973650600 0.58333333333333 208.980 > 103 106 Bi 0.75000000000000 0.40846973650600 0.58333333333333 208.980 > 103 107 Bi 0.25000000000000 0.40846973650600 0.91666666666667 208.980 > 103 108 Bi 0.75000000000000 0.40846973650600 0.91666666666667 208.980 > 103 109 Bi 0.25000000000000 0.59153026349400 0.08333333333333 208.980 > 97 110 Bi 0.75000000000000 0.59153026349400 0.08333333333333 208.980 > 97 111 Bi 0.25000000000000 0.59153026349400 0.41666666666667 208.980 > 97 112 Bi 0.75000000000000 0.59153026349400 0.41666666666667 208.980 > 97 113 Bi 0.25000000000000 0.59153026349400 0.75000000000000 208.980 > 97 114 Bi 0.75000000000000 0.59153026349400 0.75000000000000 208.980 > 97 115 Bi 0.00000000000000 0.90846973650600 0.25000000000000 208.980 > 103 116 Bi 0.50000000000000 0.90846973650600 0.25000000000000 208.980 > 103 117 Bi 0.00000000000000 0.90846973650600 0.58333333333333 208.980 > 103 118 Bi 0.50000000000000 0.90846973650600 0.58333333333333 208.980 > 103 119 Bi 0.00000000000000 0.90846973650600 0.91666666666667 208.980 > 103 120 Bi 0.50000000000000 0.90846973650600 0.91666666666667 208.980 > 103 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.1054025 0.0000000 0.0000000 0.0000000 5.6717330 0.0000000 0.0000000 0.0000000 6.2312494 -------------------------- Born effective charges -------------------------- 1 O -3.0191724 0.0000000 0.0000000 0.0000000 -2.1750649 -0.1146737 0.0000000 -0.4006680 -3.1566409 2 O -3.0191724 0.0000000 0.0000000 0.0000000 -2.1750649 0.1146737 0.0000000 0.4006680 -3.1566409 3 O -3.0191724 0.0000000 0.0000000 0.0000000 -2.1750649 -0.1146737 0.0000000 -0.4006680 -3.1566409 4 O -3.0191724 0.0000000 0.0000000 0.0000000 -2.1750649 0.1146737 0.0000000 0.4006680 -3.1566409 5 Cl -1.9706613 0.0000000 0.0000000 0.0000000 -1.8586501 0.0000000 0.0000000 0.0000000 -2.0094492 6 Cl -1.9706613 0.0000000 0.0000000 0.0000000 -1.8586501 0.0000000 0.0000000 0.0000000 -2.0094492 7 Pb 3.7996465 0.0000000 0.0000000 0.0000000 2.8875703 0.0000000 0.0000000 0.0000000 3.4659635 8 Pb 3.7996465 0.0000000 0.0000000 0.0000000 2.8875703 0.0000000 0.0000000 0.0000000 3.4659635 9 Bi 4.2093596 0.0000000 0.0000000 0.0000000 3.3212095 0.0000000 0.0000000 0.0000000 4.8567676 10 Bi 4.2093596 0.0000000 0.0000000 0.0000000 3.3212095 0.0000000 0.0000000 0.0000000 4.8567676 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yz) -0.00000000 (yz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 05:18:55]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:18:55]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 3] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.807043150000000 -6.119307370000000 0.000000000000000 b 2.807043150000000 6.119307370000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.571479569999998 Atomic positions (fractional): 1 O 0.23894565310197 0.23894565310197 0.00000000000000 15.999 2 O 0.76105434689803 0.76105434689803 0.50000000000000 15.999 3 O 0.76105434689803 0.76105434689803 0.00000000000000 15.999 4 O 0.23894565310197 0.23894565310197 0.50000000000000 15.999 5 Cl 0.25465968240822 0.74534031759178 0.25000000000000 35.453 6 Cl 0.74534031759178 0.25465968240822 0.75000000000000 35.453 7 Pb 0.60843542812235 0.39156457187765 0.25000000000000 207.200 8 Pb 0.39156457187765 0.60843542812235 0.75000000000000 207.200 9 Bi 0.90846973650600 0.09153026349400 0.25000000000000 208.980 10 Bi 0.09153026349400 0.90846973650600 0.75000000000000 208.980 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.228172599999999 0.000000000000000 0.000000000000000 b 0.000000000000000 12.238614739999999 0.000000000000000 c 0.000000000000000 0.000000000000000 16.714438709999996 Atomic positions (fractional): 1 O 0.11947282655098 0.00000000000000 0.00000000000000 15.999 > 1 2 O 0.61947282655098 0.00000000000000 0.00000000000000 15.999 > 1 3 O 0.11947282655098 0.00000000000000 0.33333333333333 15.999 > 1 4 O 0.61947282655098 0.00000000000000 0.33333333333333 15.999 > 1 5 O 0.11947282655098 0.00000000000000 0.66666666666667 15.999 > 1 6 O 0.61947282655098 0.00000000000000 0.66666666666667 15.999 > 1 7 O 0.38052717344902 0.00000000000000 0.16666666666667 15.999 > 7 8 O 0.88052717344902 0.00000000000000 0.16666666666667 15.999 > 7 9 O 0.38052717344902 0.00000000000000 0.50000000000000 15.999 > 7 10 O 0.88052717344902 0.00000000000000 0.50000000000000 15.999 > 7 11 O 0.38052717344902 0.00000000000000 0.83333333333333 15.999 > 7 12 O 0.88052717344902 0.00000000000000 0.83333333333333 15.999 > 7 13 O 0.38052717344902 0.00000000000000 0.00000000000000 15.999 > 13 14 O 0.88052717344902 0.00000000000000 0.00000000000000 15.999 > 13 15 O 0.38052717344902 0.00000000000000 0.33333333333333 15.999 > 13 16 O 0.88052717344902 0.00000000000000 0.33333333333333 15.999 > 13 17 O 0.38052717344902 0.00000000000000 0.66666666666667 15.999 > 13 18 O 0.88052717344902 0.00000000000000 0.66666666666667 15.999 > 13 19 O 0.11947282655098 0.00000000000000 0.16666666666667 15.999 > 19 20 O 0.61947282655098 0.00000000000000 0.16666666666667 15.999 > 19 21 O 0.11947282655098 0.00000000000000 0.50000000000000 15.999 > 19 22 O 0.61947282655098 0.00000000000000 0.50000000000000 15.999 > 19 23 O 0.11947282655098 0.00000000000000 0.83333333333333 15.999 > 19 24 O 0.61947282655098 0.00000000000000 0.83333333333333 15.999 > 19 25 O 0.36947282655098 0.50000000000000 0.00000000000000 15.999 > 1 26 O 0.86947282655098 0.50000000000000 0.00000000000000 15.999 > 1 27 O 0.36947282655098 0.50000000000000 0.33333333333333 15.999 > 1 28 O 0.86947282655098 0.50000000000000 0.33333333333333 15.999 > 1 29 O 0.36947282655098 0.50000000000000 0.66666666666667 15.999 > 1 30 O 0.86947282655098 0.50000000000000 0.66666666666667 15.999 > 1 31 O 0.13052717344902 0.50000000000000 0.16666666666667 15.999 > 7 32 O 0.63052717344902 0.50000000000000 0.16666666666667 15.999 > 7 33 O 0.13052717344902 0.50000000000000 0.50000000000000 15.999 > 7 34 O 0.63052717344902 0.50000000000000 0.50000000000000 15.999 > 7 35 O 0.13052717344902 0.50000000000000 0.83333333333333 15.999 > 7 36 O 0.63052717344902 0.50000000000000 0.83333333333333 15.999 > 7 37 O 0.13052717344902 0.50000000000000 0.00000000000000 15.999 > 13 38 O 0.63052717344902 0.50000000000000 0.00000000000000 15.999 > 13 39 O 0.13052717344902 0.50000000000000 0.33333333333333 15.999 > 13 40 O 0.63052717344902 0.50000000000000 0.33333333333333 15.999 > 13 41 O 0.13052717344902 0.50000000000000 0.66666666666667 15.999 > 13 42 O 0.63052717344902 0.50000000000000 0.66666666666667 15.999 > 13 43 O 0.36947282655098 0.50000000000000 0.16666666666667 15.999 > 19 44 O 0.86947282655098 0.50000000000000 0.16666666666667 15.999 > 19 45 O 0.36947282655098 0.50000000000000 0.50000000000000 15.999 > 19 46 O 0.86947282655098 0.50000000000000 0.50000000000000 15.999 > 19 47 O 0.36947282655098 0.50000000000000 0.83333333333333 15.999 > 19 48 O 0.86947282655098 0.50000000000000 0.83333333333333 15.999 > 19 49 Cl 0.25000000000000 0.24534031759178 0.08333333333333 35.453 > 49 50 Cl 0.75000000000000 0.24534031759178 0.08333333333333 35.453 > 49 51 Cl 0.25000000000000 0.24534031759178 0.41666666666667 35.453 > 49 52 Cl 0.75000000000000 0.24534031759178 0.41666666666667 35.453 > 49 53 Cl 0.25000000000000 0.24534031759178 0.75000000000000 35.453 > 49 54 Cl 0.75000000000000 0.24534031759178 0.75000000000000 35.453 > 49 55 Cl 0.00000000000000 0.25465968240822 0.25000000000000 35.453 > 55 56 Cl 0.50000000000000 0.25465968240822 0.25000000000000 35.453 > 55 57 Cl 0.00000000000000 0.25465968240822 0.58333333333333 35.453 > 55 58 Cl 0.50000000000000 0.25465968240822 0.58333333333333 35.453 > 55 59 Cl 0.00000000000000 0.25465968240822 0.91666666666667 35.453 > 55 60 Cl 0.50000000000000 0.25465968240822 0.91666666666667 35.453 > 55 61 Cl 0.00000000000000 0.74534031759178 0.08333333333333 35.453 > 49 62 Cl 0.50000000000000 0.74534031759178 0.08333333333333 35.453 > 49 63 Cl 0.00000000000000 0.74534031759178 0.41666666666667 35.453 > 49 64 Cl 0.50000000000000 0.74534031759178 0.41666666666667 35.453 > 49 65 Cl 0.00000000000000 0.74534031759178 0.75000000000000 35.453 > 49 66 Cl 0.50000000000000 0.74534031759178 0.75000000000000 35.453 > 49 67 Cl 0.25000000000000 0.75465968240822 0.25000000000000 35.453 > 55 68 Cl 0.75000000000000 0.75465968240822 0.25000000000000 35.453 > 55 69 Cl 0.25000000000000 0.75465968240822 0.58333333333333 35.453 > 55 70 Cl 0.75000000000000 0.75465968240822 0.58333333333333 35.453 > 55 71 Cl 0.25000000000000 0.75465968240822 0.91666666666667 35.453 > 55 72 Cl 0.75000000000000 0.75465968240822 0.91666666666667 35.453 > 55 73 Pb 0.00000000000000 0.39156457187765 0.08333333333333 207.200 > 73 74 Pb 0.50000000000000 0.39156457187765 0.08333333333333 207.200 > 73 75 Pb 0.00000000000000 0.39156457187765 0.41666666666667 207.200 > 73 76 Pb 0.50000000000000 0.39156457187765 0.41666666666667 207.200 > 73 77 Pb 0.00000000000000 0.39156457187765 0.75000000000000 207.200 > 73 78 Pb 0.50000000000000 0.39156457187765 0.75000000000000 207.200 > 73 79 Pb 0.25000000000000 0.10843542812235 0.25000000000000 207.200 > 79 80 Pb 0.75000000000000 0.10843542812235 0.25000000000000 207.200 > 79 81 Pb 0.25000000000000 0.10843542812235 0.58333333333333 207.200 > 79 82 Pb 0.75000000000000 0.10843542812235 0.58333333333333 207.200 > 79 83 Pb 0.25000000000000 0.10843542812235 0.91666666666667 207.200 > 79 84 Pb 0.75000000000000 0.10843542812235 0.91666666666667 207.200 > 79 85 Pb 0.25000000000000 0.89156457187765 0.08333333333333 207.200 > 73 86 Pb 0.75000000000000 0.89156457187765 0.08333333333333 207.200 > 73 87 Pb 0.25000000000000 0.89156457187765 0.41666666666667 207.200 > 73 88 Pb 0.75000000000000 0.89156457187765 0.41666666666667 207.200 > 73 89 Pb 0.25000000000000 0.89156457187765 0.75000000000000 207.200 > 73 90 Pb 0.75000000000000 0.89156457187765 0.75000000000000 207.200 > 73 91 Pb 0.00000000000000 0.60843542812235 0.25000000000000 207.200 > 79 92 Pb 0.50000000000000 0.60843542812235 0.25000000000000 207.200 > 79 93 Pb 0.00000000000000 0.60843542812235 0.58333333333333 207.200 > 79 94 Pb 0.50000000000000 0.60843542812235 0.58333333333333 207.200 > 79 95 Pb 0.00000000000000 0.60843542812235 0.91666666666667 207.200 > 79 96 Pb 0.50000000000000 0.60843542812235 0.91666666666667 207.200 > 79 97 Bi 0.00000000000000 0.09153026349400 0.08333333333333 208.980 > 97 98 Bi 0.50000000000000 0.09153026349400 0.08333333333333 208.980 > 97 99 Bi 0.00000000000000 0.09153026349400 0.41666666666667 208.980 > 97 100 Bi 0.50000000000000 0.09153026349400 0.41666666666667 208.980 > 97 101 Bi 0.00000000000000 0.09153026349400 0.75000000000000 208.980 > 97 102 Bi 0.50000000000000 0.09153026349400 0.75000000000000 208.980 > 97 103 Bi 0.25000000000000 0.40846973650600 0.25000000000000 208.980 > 103 104 Bi 0.75000000000000 0.40846973650600 0.25000000000000 208.980 > 103 105 Bi 0.25000000000000 0.40846973650600 0.58333333333333 208.980 > 103 106 Bi 0.75000000000000 0.40846973650600 0.58333333333333 208.980 > 103 107 Bi 0.25000000000000 0.40846973650600 0.91666666666667 208.980 > 103 108 Bi 0.75000000000000 0.40846973650600 0.91666666666667 208.980 > 103 109 Bi 0.25000000000000 0.59153026349400 0.08333333333333 208.980 > 97 110 Bi 0.75000000000000 0.59153026349400 0.08333333333333 208.980 > 97 111 Bi 0.25000000000000 0.59153026349400 0.41666666666667 208.980 > 97 112 Bi 0.75000000000000 0.59153026349400 0.41666666666667 208.980 > 97 113 Bi 0.25000000000000 0.59153026349400 0.75000000000000 208.980 > 97 114 Bi 0.75000000000000 0.59153026349400 0.75000000000000 208.980 > 97 115 Bi 0.00000000000000 0.90846973650600 0.25000000000000 208.980 > 103 116 Bi 0.50000000000000 0.90846973650600 0.25000000000000 208.980 > 103 117 Bi 0.00000000000000 0.90846973650600 0.58333333333333 208.980 > 103 118 Bi 0.50000000000000 0.90846973650600 0.58333333333333 208.980 > 103 119 Bi 0.00000000000000 0.90846973650600 0.91666666666667 208.980 > 103 120 Bi 0.50000000000000 0.90846973650600 0.91666666666667 208.980 > 103 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 6.1054025 0.0000000 0.0000000 0.0000000 5.6717330 0.0000000 0.0000000 0.0000000 6.2312494 -------------------------- Born effective charges -------------------------- 1 O -3.0191724 0.0000000 0.0000000 0.0000000 -2.1750649 -0.1146737 0.0000000 -0.4006680 -3.1566409 2 O -3.0191724 0.0000000 0.0000000 0.0000000 -2.1750649 0.1146737 0.0000000 0.4006680 -3.1566409 3 O -3.0191724 0.0000000 0.0000000 0.0000000 -2.1750649 -0.1146737 0.0000000 -0.4006680 -3.1566409 4 O -3.0191724 0.0000000 0.0000000 0.0000000 -2.1750649 0.1146737 0.0000000 0.4006680 -3.1566409 5 Cl -1.9706613 0.0000000 0.0000000 0.0000000 -1.8586501 0.0000000 0.0000000 0.0000000 -2.0094492 6 Cl -1.9706613 0.0000000 0.0000000 0.0000000 -1.8586501 0.0000000 0.0000000 0.0000000 -2.0094492 7 Pb 3.7996465 0.0000000 0.0000000 0.0000000 2.8875703 0.0000000 0.0000000 0.0000000 3.4659635 8 Pb 3.7996465 0.0000000 0.0000000 0.0000000 2.8875703 0.0000000 0.0000000 0.0000000 3.4659635 9 Bi 4.2093596 0.0000000 0.0000000 0.0000000 3.3212095 0.0000000 0.0000000 0.0000000 4.8567676 10 Bi 4.2093596 0.0000000 0.0000000 0.0000000 3.3212095 0.0000000 0.0000000 0.0000000 4.8567676 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- 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 ... [ 10 10 9 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.72, Number of G-points: 293, Lambda: 0.18 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/155) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.076 ( 0.000 0.000 0.000) 0.000 2.103 ( 0.000 0.000 0.000) 0.000 2.211 ( 0.000 0.000 0.000) 0.000 2.402 ( 0.000 0.000 0.000) 0.000 2.488 ( 0.000 0.000 0.000) 0.000 2.653 ( 0.000 0.000 0.000) 0.000 2.669 ( 0.000 0.000 0.000) 0.000 2.906 ( 0.000 0.000 0.000) 0.000 3.146 ( 0.000 0.000 0.000) 0.000 3.229 ( 0.000 0.000 0.000) 0.000 3.263 ( 0.000 0.000 0.000) 0.000 3.549 ( 0.000 0.000 0.000) 0.000 4.013 ( 0.000 0.000 0.000) 0.000 4.745 ( 0.000 0.000 0.000) 0.000 4.782 ( 0.000 0.000 0.000) 0.000 6.737 ( 0.000 0.000 0.000) 0.000 7.121 ( 0.000 0.000 0.000) 0.000 7.854 ( 0.000 0.000 0.000) 0.000 8.451 ( 0.000 0.000 0.000) 0.000 9.499 ( 0.000 0.000 0.000) 0.000 9.668 ( 0.000 0.000 0.000) 0.000 12.042 ( 0.000 0.000 0.000) 0.000 12.136 ( 0.000 0.000 0.000) 0.000 13.232 ( 0.000 0.000 0.000) 0.000 13.375 ( 0.000 0.000 0.000) 0.000 14.966 ( 0.000 0.000 0.000) 0.000 16.093 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/155) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.287 ( 13.935 -4.347 0.000) 14.597 0.317 ( 11.306 -12.727 0.000) 17.023 0.684 ( 35.377 -3.930 0.000) 35.594 2.061 ( -4.758 -0.139 0.000) 4.760 2.068 ( -1.031 0.183 0.000) 1.047 2.263 ( 5.629 -0.153 0.000) 5.631 2.379 ( -3.445 -3.376 0.000) 4.823 2.560 ( 2.274 -3.672 0.000) 4.319 2.665 ( 0.483 -2.561 0.000) 2.607 2.915 ( 0.755 -0.588 0.000) 0.957 3.063 ( -5.704 5.315 0.000) 7.796 3.143 ( -5.684 -3.121 0.000) 6.484 3.356 ( 4.490 -0.683 0.000) 4.541 3.524 ( -2.239 0.906 0.000) 2.416 3.668 ( -3.105 -5.067 0.000) 5.942 4.383 ( -1.576 3.233 0.000) 3.596 4.717 ( -3.149 -0.005 0.000) 3.149 4.768 ( -1.294 0.264 0.000) 1.321 6.503 ( -17.446 -0.133 0.000) 17.447 7.392 ( 21.321 -0.065 0.000) 21.321 8.002 ( 16.505 0.347 0.000) 16.509 8.623 ( 18.719 0.006 0.000) 18.719 9.648 ( -2.271 -0.101 0.000) 2.273 11.747 ( 27.168 64.263 0.000) 69.770 12.041 ( -0.048 0.047 0.000) 0.067 13.272 ( 6.259 4.561 0.000) 7.745 13.333 ( -4.725 0.036 0.000) 4.725 13.532 ( 8.667 23.805 0.000) 25.334 14.943 ( -3.342 -1.808 0.000) 3.800 16.209 ( -14.451 -23.596 0.000) 27.669 ======================= Grid point 2 (3/155) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.565 ( 13.543 -3.628 0.000) 14.020 0.604 ( 9.964 -11.075 0.000) 14.898 1.303 ( 31.032 -1.527 0.000) 31.070 1.941 ( -8.744 -0.441 0.000) 8.756 2.014 ( -5.005 1.519 0.000) 5.231 2.356 ( -2.292 -5.027 0.000) 5.525 2.404 ( 9.505 -0.238 0.000) 9.508 2.610 ( 1.115 0.173 0.000) 1.128 2.728 ( 2.364 -5.937 0.000) 6.390 2.905 ( -6.946 4.569 0.000) 8.314 2.942 ( 1.421 -1.198 0.000) 1.859 3.086 ( -2.826 -2.908 0.000) 4.055 3.414 ( 1.494 -0.807 0.000) 1.699 3.458 ( -3.761 2.028 0.000) 4.272 3.650 ( -0.907 0.567 0.000) 1.070 4.302 ( -3.999 4.306 0.000) 5.877 4.638 ( -5.544 -0.003 0.000) 5.544 4.736 ( -1.849 0.448 0.000) 1.902 6.223 ( -13.613 -0.483 0.000) 13.622 7.769 ( 19.884 0.008 0.000) 19.884 8.419 ( 30.049 0.507 0.000) 30.053 9.077 ( 30.818 0.092 0.000) 30.818 9.597 ( -3.229 -0.189 0.000) 3.235 11.664 ( -1.962 12.642 0.000) 12.794 12.038 ( -0.223 0.062 0.000) 0.232 13.207 ( -9.288 0.045 0.000) 9.288 13.354 ( 10.781 15.641 0.000) 18.997 13.506 ( 5.690 10.482 0.000) 11.927 14.880 ( -5.813 -3.151 0.000) 6.612 16.117 ( -9.748 -7.156 0.000) 12.092 ======================= Grid point 3 (4/155) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.828 ( 13.181 -2.600 0.000) 13.435 0.857 ( 9.316 -9.228 0.000) 13.112 1.764 ( -11.440 -0.617 0.000) 11.457 1.794 ( 23.126 1.822 0.000) 23.198 1.854 ( -9.470 3.945 0.000) 10.259 2.392 ( 0.594 -6.880 0.000) 6.905 2.587 ( -3.052 0.778 0.000) 3.150 2.587 ( 9.504 -0.220 0.000) 9.506 2.776 ( -3.534 0.969 0.000) 3.664 2.808 ( 0.972 -4.559 0.000) 4.661 2.984 ( 1.967 -1.847 0.000) 2.698 3.105 ( 2.158 -3.031 0.000) 3.720 3.363 ( -4.313 3.066 0.000) 5.292 3.432 ( -0.104 -1.165 0.000) 1.170 3.632 ( 0.845 3.170 0.000) 3.281 4.175 ( -6.085 4.397 0.000) 7.507 4.528 ( -6.367 0.011 0.000) 6.367 4.701 ( -1.559 0.448 0.000) 1.623 6.034 ( -8.251 -0.736 0.000) 8.284 8.076 ( 14.213 0.078 0.000) 14.213 9.033 ( 38.556 0.999 0.000) 38.569 9.544 ( -1.875 -0.079 0.000) 1.876 9.663 ( 32.404 0.040 0.000) 32.404 11.443 ( -19.814 -4.745 0.000) 20.374 12.032 ( -0.412 0.045 0.000) 0.414 13.009 ( -12.535 0.019 0.000) 12.535 13.378 ( 10.847 22.812 0.000) 25.260 13.588 ( 6.817 -0.047 0.000) 6.817 14.795 ( -6.524 -3.561 0.000) 7.433 15.990 ( -7.892 -1.111 0.000) 7.970 ======================= Grid point 4 (5/155) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.078 ( 13.047 -1.455 0.000) 13.128 1.096 ( 9.909 -7.834 0.000) 12.632 1.551 ( -12.748 -0.357 0.000) 12.753 1.610 ( -11.891 5.896 0.000) 13.273 2.116 ( 14.486 2.960 0.000) 14.786 2.456 ( -0.762 -0.817 0.000) 1.117 2.489 ( -4.563 -4.201 0.000) 6.202 2.748 ( 6.920 -0.203 0.000) 6.923 2.763 ( 0.927 -1.315 0.000) 1.609 2.831 ( -0.961 -1.411 0.000) 1.707 3.040 ( 2.237 -2.267 0.000) 3.185 3.188 ( 3.253 -3.236 0.000) 4.588 3.263 ( -3.708 3.209 0.000) 4.904 3.434 ( -0.616 -0.992 0.000) 1.168 3.635 ( 2.590 3.234 0.000) 4.143 4.029 ( -6.198 3.068 0.000) 6.916 4.426 ( -4.576 0.021 0.000) 4.576 4.676 ( -0.826 0.257 0.000) 0.865 5.935 ( -3.652 -0.568 0.000) 3.696 8.264 ( 6.948 0.077 0.000) 6.949 9.517 ( -0.862 -0.116 0.000) 0.870 9.740 ( 41.523 2.588 0.000) 41.603 10.179 ( 22.996 0.125 0.000) 22.997 11.028 ( -32.280 -7.793 0.000) 33.207 12.024 ( -0.355 0.019 0.000) 0.356 12.789 ( -10.862 -0.013 0.000) 10.862 13.394 ( 7.534 13.646 0.000) 15.587 13.701 ( 4.735 -0.570 0.000) 4.769 14.718 ( -4.544 -2.526 0.000) 5.199 15.873 ( -4.847 0.698 0.000) 4.897 ======================= Grid point 5 (6/155) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.305 ( 0.000 -0.000 0.000) 0.000 1.320 ( 0.000 -0.000 0.000) 0.000 1.333 ( -0.000 -0.000 0.000) 0.000 1.373 ( -0.000 0.000 0.000) 0.000 2.255 ( 0.000 -0.000 0.000) 0.000 2.386 ( 0.000 0.000 0.000) 0.000 2.507 ( 0.000 -0.000 0.000) 0.000 2.802 ( 0.000 -0.000 0.000) 0.000 2.806 ( -0.000 0.000 0.000) 0.000 2.814 ( 0.000 -0.000 0.000) 0.000 3.081 ( 0.000 -0.000 0.000) 0.000 3.205 ( -0.000 0.000 0.000) 0.000 3.238 ( 0.000 0.000 0.000) 0.000 3.430 ( 0.000 -0.000 0.000) 0.000 3.654 ( 0.000 0.000 0.000) 0.000 3.948 ( 0.000 -0.000 0.000) 0.000 4.382 ( 0.000 -0.000 0.000) 0.000 4.668 ( 0.000 -0.000 0.000) 0.000 5.906 ( 0.000 -0.000 0.000) 0.000 8.325 ( 0.000 -0.000 0.000) 0.000 9.511 ( 0.000 -0.000 0.000) 0.000 10.398 ( -0.000 -0.000 0.000) 0.000 10.413 ( 0.000 0.000 0.000) 0.000 10.461 ( -0.000 -0.000 0.000) 0.000 12.021 ( 0.000 -0.000 0.000) 0.000 12.680 ( 0.000 -0.000 0.000) 0.000 13.408 ( 0.000 -0.000 0.000) 0.000 13.748 ( 0.000 -0.000 0.000) 0.000 14.686 ( 0.000 0.000 0.000) 0.000 15.824 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 12 (7/155) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.503 ( 13.266 0.000 0.000) 13.266 0.533 ( 14.674 0.000 0.000) 14.674 1.290 ( 32.775 0.000 0.000) 32.775 1.937 ( -8.795 -0.000 0.000) 8.795 2.027 ( -4.246 -0.000 0.000) 4.246 2.308 ( -2.304 -0.000 0.000) 2.304 2.402 ( 9.522 0.000 0.000) 9.522 2.638 ( 5.466 0.000 0.000) 5.466 2.651 ( -0.684 -0.000 0.000) 0.684 2.932 ( 1.379 0.000 0.000) 1.379 2.952 ( -9.130 -0.000 0.000) 9.130 3.053 ( -1.666 -0.000 0.000) 1.666 3.407 ( 1.512 0.000 0.000) 1.512 3.475 ( -3.625 -0.000 0.000) 3.625 3.654 ( 0.624 0.000 0.000) 0.624 4.339 ( -4.536 -0.000 0.000) 4.536 4.638 ( -5.539 -0.000 0.000) 5.539 4.741 ( -1.833 -0.000 0.000) 1.833 6.219 ( -13.691 -0.000 0.000) 13.691 7.769 ( 19.923 0.000 0.000) 19.923 8.423 ( 30.033 0.000 0.000) 30.033 9.078 ( 30.862 0.000 0.000) 30.862 9.595 ( -3.234 -0.000 0.000) 3.234 11.772 ( -18.658 -0.000 0.000) 18.658 12.039 ( -0.238 -0.000 0.000) 0.238 13.208 ( -9.301 -0.000 0.000) 9.301 13.422 ( 8.275 0.000 0.000) 8.275 13.707 ( 0.806 0.000 0.000) 0.806 14.869 ( -4.494 -0.000 0.000) 4.494 16.028 ( -3.494 -0.000 0.000) 3.494 ======================= Grid point 13 (8/155) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.746 ( 11.955 -3.715 0.000) 12.519 0.796 ( 14.244 -1.107 0.000) 14.287 1.756 ( -11.354 -0.237 0.000) 11.356 1.818 ( 26.049 0.910 0.000) 26.065 1.901 ( -9.043 1.570 0.000) 9.178 2.303 ( 0.325 -3.177 0.000) 3.194 2.584 ( 10.292 -0.101 0.000) 10.293 2.605 ( -4.383 0.968 0.000) 4.488 2.743 ( 3.971 -2.431 0.000) 4.656 2.799 ( -5.633 0.934 0.000) 5.710 2.963 ( 1.855 -0.679 0.000) 1.975 3.068 ( 2.240 -1.318 0.000) 2.599 3.399 ( -4.292 1.153 0.000) 4.444 3.417 ( -0.314 -0.528 0.000) 0.615 3.665 ( 1.161 0.972 0.000) 1.515 4.227 ( -7.005 1.740 0.000) 7.218 4.529 ( -6.354 0.006 0.000) 6.354 4.708 ( -1.620 0.318 0.000) 1.651 6.025 ( -8.203 -0.289 0.000) 8.208 8.077 ( 14.229 0.030 0.000) 14.229 9.044 ( 39.014 0.377 0.000) 39.015 9.543 ( -2.311 -0.006 0.000) 2.311 9.663 ( 32.890 -0.008 0.000) 32.890 11.389 ( -24.387 -1.740 0.000) 24.449 12.033 ( -0.435 0.017 0.000) 0.436 13.009 ( -12.563 0.007 0.000) 12.563 13.565 ( 7.707 0.724 0.000) 7.741 13.660 ( -1.438 7.298 0.000) 7.438 14.790 ( -3.317 1.472 0.000) 3.629 15.962 ( -5.101 -1.536 0.000) 5.327 ======================= Grid point 14 (9/155) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.989 ( 11.472 -4.839 0.000) 12.451 1.056 ( 13.969 -1.057 0.000) 14.008 1.545 ( -12.364 -0.252 0.000) 12.367 1.693 ( -11.180 3.880 0.000) 11.835 2.170 ( 14.348 3.594 0.000) 14.791 2.374 ( 3.361 -5.856 0.000) 6.752 2.481 ( -7.257 0.320 0.000) 7.264 2.746 ( 7.063 -0.110 0.000) 7.064 2.754 ( 0.734 0.091 0.000) 0.739 2.815 ( 2.161 -0.625 0.000) 2.249 3.009 ( 2.295 -1.413 0.000) 2.695 3.139 ( 3.574 -2.429 0.000) 4.322 3.307 ( -4.340 2.021 0.000) 4.787 3.412 ( -0.992 -1.236 0.000) 1.585 3.681 ( 1.941 1.965 0.000) 2.762 4.073 ( -7.925 2.152 0.000) 8.212 4.427 ( -4.572 0.021 0.000) 4.572 4.682 ( -0.908 0.384 0.000) 0.986 5.927 ( -3.311 -0.375 0.000) 3.332 8.265 ( 6.909 0.049 0.000) 6.909 9.516 ( -0.780 -0.054 0.000) 0.782 9.775 ( 43.066 1.590 0.000) 43.096 10.180 ( 22.933 0.064 0.000) 22.934 10.925 ( -30.939 -4.580 0.000) 31.276 12.025 ( -0.374 0.012 0.000) 0.374 12.789 ( -10.873 -0.009 0.000) 10.873 13.531 ( -6.895 3.767 0.000) 7.857 13.689 ( 4.715 -0.768 0.000) 4.777 14.740 ( 0.621 3.979 0.000) 4.027 15.879 ( -4.474 0.004 0.000) 4.474 ======================= Grid point 15 (10/155) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.238 ( 11.706 -5.346 0.000) 12.868 1.302 ( 5.784 -0.337 0.000) 5.794 1.333 ( -4.312 0.066 0.000) 4.313 1.459 ( -9.967 5.833 0.000) 11.548 2.254 ( -4.862 -0.165 0.000) 4.865 2.375 ( 0.255 -1.202 0.000) 1.229 2.508 ( 5.432 0.181 0.000) 5.435 2.801 ( 4.287 0.709 0.000) 4.345 2.815 ( 0.218 0.029 0.000) 0.220 2.830 ( 0.063 1.795 0.000) 1.796 3.065 ( 2.362 -1.469 0.000) 2.781 3.218 ( 2.519 -2.317 0.000) 3.422 3.221 ( -3.268 1.509 0.000) 3.599 3.402 ( -1.590 -2.354 0.000) 2.840 3.684 ( -0.763 2.605 0.000) 2.714 3.950 ( -3.132 0.224 0.000) 3.140 4.383 ( -0.017 0.016 0.000) 0.024 4.671 ( -0.064 0.299 0.000) 0.306 5.905 ( 0.536 -0.039 0.000) 0.537 8.325 ( -0.077 0.004 0.000) 0.077 9.511 ( 0.127 0.023 0.000) 0.129 10.350 ( -34.736 -4.210 0.000) 34.990 10.398 ( -0.149 -0.018 0.000) 0.150 10.526 ( 40.269 4.479 0.000) 40.517 12.021 ( -0.013 0.001 0.000) 0.013 12.680 ( 0.025 -0.002 0.000) 0.025 13.343 ( -15.369 -6.611 0.000) 16.731 13.742 ( 0.276 -0.620 0.000) 0.679 14.752 ( 5.437 6.655 0.000) 8.594 15.825 ( -0.902 0.090 0.000) 0.906 ======================= Grid point 16 (11/155) ======================= q-point: (-0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.100 ( -12.021 1.181 0.000) 12.079 1.229 ( -7.893 8.031 0.000) 11.261 1.514 ( 12.603 -5.458 0.000) 13.734 1.556 ( 13.276 0.275 0.000) 13.279 2.073 ( -14.937 -2.383 0.000) 15.126 2.439 ( 3.595 -1.577 0.000) 3.926 2.573 ( 4.302 4.696 0.000) 6.369 2.752 ( -6.745 0.238 0.000) 6.750 2.797 ( -1.277 2.620 0.000) 2.915 2.866 ( 4.209 3.053 0.000) 5.199 3.077 ( -1.403 2.067 0.000) 2.498 3.210 ( 2.158 -2.962 0.000) 3.665 3.234 ( -1.434 2.068 0.000) 2.516 3.411 ( -0.100 -4.385 0.000) 4.386 3.608 ( -4.523 0.659 0.000) 4.571 3.980 ( 4.067 -2.764 0.000) 4.917 4.426 ( 4.574 -0.005 0.000) 4.574 4.675 ( 0.763 0.111 0.000) 0.771 5.944 ( 4.078 0.521 0.000) 4.111 8.263 ( -7.000 -0.073 0.000) 7.000 9.519 ( 0.977 0.152 0.000) 0.989 9.696 ( -39.641 -2.621 0.000) 39.728 10.176 ( -23.087 -0.154 0.000) 23.088 11.168 ( 34.909 8.964 0.000) 36.042 12.024 ( 0.332 -0.018 0.000) 0.333 12.789 ( 10.850 0.011 0.000) 10.850 13.110 ( -21.778 -19.435 0.000) 29.189 13.705 ( -4.610 -0.081 0.000) 4.610 14.817 ( 8.478 8.372 0.000) 11.914 15.859 ( 4.414 -0.904 0.000) 4.505 ======================= Grid point 17 (12/155) ======================= q-point: (-0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.873 ( -11.718 2.709 0.000) 12.027 1.028 ( -6.022 11.198 0.000) 12.715 1.761 ( -14.138 -2.392 0.000) 14.339 1.775 ( 11.613 0.748 0.000) 11.637 1.783 ( 4.251 -4.276 0.000) 6.030 2.482 ( 0.200 2.301 0.000) 2.309 2.593 ( -10.157 0.374 0.000) 10.164 2.605 ( 4.530 4.390 0.000) 6.308 2.771 ( 0.700 0.614 0.000) 0.931 2.889 ( 1.723 5.122 0.000) 5.404 3.021 ( -2.123 2.499 0.000) 3.279 3.161 ( -2.626 3.605 0.000) 4.460 3.304 ( 4.314 -3.967 0.000) 5.861 3.443 ( 0.276 -0.581 0.000) 0.643 3.567 ( -0.856 -4.132 0.000) 4.220 4.096 ( 4.658 -4.934 0.000) 6.785 4.528 ( 6.385 -0.004 0.000) 6.385 4.696 ( 1.649 -0.063 0.000) 1.650 6.047 ( 8.337 0.871 0.000) 8.382 8.075 ( -14.189 -0.097 0.000) 14.189 9.014 ( -37.805 -1.260 0.000) 37.826 9.546 ( 1.568 0.233 0.000) 1.585 9.661 ( -32.018 -0.178 0.000) 32.019 11.540 ( 11.384 7.081 0.000) 13.406 12.031 ( 0.373 -0.055 0.000) 0.377 12.946 ( -16.097 -27.900 0.000) 32.211 13.009 ( 12.491 -0.024 0.000) 12.491 13.593 ( -7.375 0.214 0.000) 7.378 14.905 ( 9.001 8.934 0.000) 12.682 15.991 ( 9.246 -0.856 0.000) 9.286 ======================= Grid point 18 (13/155) ======================= q-point: (-0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.637 ( -11.301 4.817 0.000) 12.285 0.819 ( -6.242 14.197 0.000) 15.508 1.336 ( -26.111 2.396 0.000) 26.221 1.951 ( 8.628 0.738 0.000) 8.660 1.980 ( 6.897 -2.541 0.000) 7.350 2.409 ( -9.471 0.399 0.000) 9.480 2.437 ( -0.536 4.085 0.000) 4.120 2.642 ( 2.515 3.969 0.000) 4.699 2.827 ( 2.361 -0.222 0.000) 2.371 2.833 ( -0.864 2.501 0.000) 2.646 2.969 ( -1.540 2.066 0.000) 2.577 3.132 ( 2.601 2.581 0.000) 3.664 3.412 ( 4.122 -3.381 0.000) 5.331 3.427 ( -1.668 0.639 0.000) 1.786 3.632 ( 4.745 -1.653 0.000) 5.025 4.211 ( 2.813 -6.391 0.000) 6.983 4.638 ( 5.557 0.011 0.000) 5.557 4.733 ( 2.482 0.204 0.000) 2.490 6.234 ( 13.417 0.760 0.000) 13.438 7.768 ( -19.783 -0.015 0.000) 19.783 8.408 ( -30.087 -0.830 0.000) 30.098 9.075 ( -30.719 -0.133 0.000) 30.719 9.601 ( 3.233 0.294 0.000) 3.246 11.403 ( -31.006 -17.331 0.000) 35.521 12.037 ( 0.184 -0.101 0.000) 0.210 13.015 ( 0.732 -18.116 0.000) 18.130 13.206 ( 9.251 -0.072 0.000) 9.252 13.461 ( -6.877 -0.381 0.000) 6.888 14.982 ( 7.481 8.602 0.000) 11.400 16.189 ( 13.146 1.540 0.000) 13.236 ======================= Grid point 19 (14/155) ======================= q-point: (-0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.396 ( -9.644 7.869 0.000) 12.447 0.551 ( -12.922 12.288 0.000) 17.832 0.827 ( -21.499 13.959 0.000) 25.633 2.062 ( 1.539 -0.564 0.000) 1.639 2.065 ( 4.582 0.413 0.000) 4.601 2.268 ( -5.564 0.381 0.000) 5.577 2.416 ( 0.038 1.200 0.000) 1.201 2.642 ( 2.764 5.240 0.000) 5.925 2.734 ( -2.078 5.148 0.000) 5.551 2.933 ( -0.788 1.601 0.000) 1.784 2.957 ( 4.182 -7.152 0.000) 8.285 3.188 ( 5.022 2.298 0.000) 5.523 3.374 ( -3.632 1.092 0.000) 3.793 3.496 ( 2.465 -2.415 0.000) 3.451 3.764 ( 12.575 4.968 0.000) 13.521 4.292 ( -0.194 -7.151 0.000) 7.154 4.717 ( 3.152 0.015 0.000) 3.152 4.777 ( 3.112 1.518 0.000) 3.462 6.507 ( 17.181 0.341 0.000) 17.184 7.394 ( -21.143 0.168 0.000) 21.144 7.991 ( -16.690 -0.914 0.000) 16.715 8.623 ( -18.658 -0.015 0.000) 18.658 9.651 ( 2.275 0.264 0.000) 2.290 10.702 ( -80.213 -45.713 0.000) 92.324 12.040 ( 0.028 -0.124 0.000) 0.127 13.173 ( 4.473 -4.874 0.000) 6.616 13.332 ( 4.709 -0.094 0.000) 4.710 13.374 ( -3.828 -2.464 0.000) 4.553 15.024 ( 4.448 7.493 0.000) 8.714 16.434 ( 17.224 4.310 0.000) 17.755 ======================= Grid point 20 (15/155) ======================= q-point: (-0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.196 ( -0.000 11.521 0.000) 11.521 0.204 ( -0.000 11.928 0.000) 11.928 0.454 ( -0.000 27.259 0.000) 27.259 2.074 ( 0.000 -0.194 0.000) 0.194 2.104 ( -0.000 0.134 0.000) 0.134 2.214 ( -0.000 0.359 0.000) 0.359 2.405 ( -0.000 0.291 0.000) 0.291 2.679 ( -0.000 1.139 0.000) 1.139 2.679 ( -0.000 3.162 0.000) 3.162 2.915 ( -0.000 1.119 0.000) 1.119 3.060 ( 0.000 -7.685 0.000) 7.685 3.241 ( -0.000 1.428 0.000) 1.428 3.297 ( -0.000 3.276 0.000) 3.276 3.535 ( 0.000 -1.601 0.000) 1.601 4.011 ( 0.000 -0.234 0.000) 0.234 4.300 ( 0.000 -5.086 0.000) 5.086 4.745 ( -0.000 0.011 0.000) 0.011 4.807 ( -0.000 2.749 0.000) 2.749 6.737 ( 0.000 -0.051 0.000) 0.051 7.125 ( -0.000 0.370 0.000) 0.370 7.847 ( 0.000 -0.785 0.000) 0.785 8.451 ( -0.000 0.026 0.000) 0.026 9.500 ( -0.000 0.116 0.000) 0.116 9.670 ( -0.000 0.194 0.000) 0.194 12.041 ( 0.000 -0.101 0.000) 0.101 13.232 ( 0.000 -0.037 0.000) 0.037 13.353 ( 0.000 -1.438 0.000) 1.438 13.375 ( 0.000 -0.077 0.000) 0.077 15.012 ( -0.000 5.485 0.000) 5.485 16.673 ( 0.000 -3.190 0.000) 3.190 ======================= Grid point 23 (16/155) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.948 ( 12.103 0.000 0.000) 12.103 1.047 ( 14.346 0.000 0.000) 14.346 1.543 ( -12.227 -0.000 0.000) 12.227 1.726 ( -10.881 -0.000 0.000) 10.881 2.214 ( 16.272 0.000 0.000) 16.272 2.310 ( 1.921 0.000 0.000) 1.921 2.483 ( -7.296 -0.000 0.000) 7.296 2.745 ( 7.119 0.000 0.000) 7.119 2.757 ( 0.502 0.000 0.000) 0.502 2.810 ( 3.639 0.000 0.000) 3.639 2.997 ( 2.259 0.000 0.000) 2.259 3.118 ( 3.414 0.000 0.000) 3.414 3.325 ( -4.523 -0.000 0.000) 4.523 3.401 ( -1.129 -0.000 0.000) 1.129 3.697 ( 1.847 0.000 0.000) 1.847 4.092 ( -8.530 -0.000 0.000) 8.530 4.427 ( -4.570 -0.000 0.000) 4.570 4.686 ( -0.962 -0.000 0.000) 0.962 5.924 ( -3.181 -0.000 0.000) 3.181 8.266 ( 6.894 0.000 0.000) 6.894 9.515 ( -0.751 -0.000 0.000) 0.751 9.789 ( 43.661 0.000 0.000) 43.661 10.181 ( 22.912 0.000 0.000) 22.912 10.886 ( -30.493 -0.000 0.000) 30.493 12.025 ( -0.380 -0.000 0.000) 0.380 12.789 ( -10.877 -0.000 0.000) 10.877 13.555 ( -12.467 -0.000 0.000) 12.467 13.681 ( 4.867 0.000 0.000) 4.867 14.785 ( 1.913 0.000 0.000) 1.913 15.877 ( -4.006 -0.000 0.000) 4.006 ======================= Grid point 24 (17/155) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.175 ( 12.435 -2.069 0.000) 12.606 1.297 ( 8.248 -0.197 0.000) 8.250 1.334 ( -5.860 0.029 0.000) 5.860 1.530 ( -9.534 2.400 0.000) 9.831 2.251 ( -8.861 -0.107 0.000) 8.862 2.356 ( 2.295 -0.751 0.000) 2.415 2.511 ( 7.836 0.108 0.000) 7.836 2.815 ( 0.356 0.020 0.000) 0.356 2.818 ( 6.499 0.912 0.000) 6.563 2.853 ( 1.319 0.828 0.000) 1.558 3.045 ( 2.869 -0.720 0.000) 2.958 3.177 ( 2.261 -1.874 0.000) 2.937 3.241 ( -4.339 0.743 0.000) 4.402 3.376 ( -2.132 -0.748 0.000) 2.259 3.716 ( -0.368 1.058 0.000) 1.120 3.954 ( -5.327 0.215 0.000) 5.331 4.383 ( -0.028 0.010 0.000) 0.030 4.675 ( -0.128 0.188 0.000) 0.227 5.905 ( 0.868 -0.024 0.000) 0.868 8.325 ( -0.125 0.003 0.000) 0.125 9.512 ( 0.205 0.014 0.000) 0.206 10.300 ( -34.048 -1.659 0.000) 34.088 10.398 ( -0.241 -0.011 0.000) 0.241 10.580 ( 43.219 1.842 0.000) 43.259 12.021 ( -0.022 0.001 0.000) 0.022 12.680 ( 0.041 -0.001 0.000) 0.041 13.248 ( -23.048 -3.654 0.000) 23.336 13.732 ( 0.449 -0.394 0.000) 0.598 14.848 ( 6.579 3.711 0.000) 7.554 15.826 ( -1.312 0.019 0.000) 1.312 ======================= Grid point 25 (18/155) ======================= q-point: (-0.60 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.115 ( -11.268 0.610 0.000) 11.285 1.337 ( -4.263 4.293 0.000) 6.050 1.447 ( 11.355 -2.191 0.000) 11.564 1.559 ( 13.752 0.119 0.000) 13.753 2.039 ( -15.388 -1.632 0.000) 15.474 2.415 ( 3.209 -1.113 0.000) 3.396 2.632 ( 7.035 2.347 0.000) 7.417 2.756 ( -6.605 0.169 0.000) 6.607 2.839 ( -1.356 2.273 0.000) 2.647 2.931 ( 7.247 4.547 0.000) 8.555 3.100 ( 1.700 0.617 0.000) 1.809 3.175 ( -1.532 -1.151 0.000) 1.916 3.232 ( 1.363 -3.398 0.000) 3.661 3.335 ( -3.534 -2.631 0.000) 4.406 3.638 ( -5.760 2.022 0.000) 6.104 3.942 ( 2.480 -1.706 0.000) 3.010 4.426 ( 4.568 0.005 0.000) 4.568 4.678 ( 0.690 0.226 0.000) 0.726 5.951 ( 4.426 0.299 0.000) 4.436 8.262 ( -7.045 -0.044 0.000) 7.045 9.522 ( 1.081 0.112 0.000) 1.087 9.660 ( -38.122 -1.650 0.000) 38.157 10.174 ( -23.172 -0.109 0.000) 23.173 11.304 ( 39.376 6.956 0.000) 39.985 12.024 ( 0.313 -0.011 0.000) 0.313 12.789 ( 10.840 0.006 0.000) 10.840 12.819 ( -31.985 -14.329 0.000) 35.048 13.700 ( -4.385 -0.408 0.000) 4.404 14.948 ( 9.061 6.537 0.000) 11.173 15.847 ( 3.725 -0.536 0.000) 3.763 ======================= Grid point 26 (19/155) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.911 ( -10.488 1.854 0.000) 10.651 1.204 ( -2.967 9.738 0.000) 10.180 1.706 ( 12.249 -3.522 0.000) 12.745 1.733 ( -19.717 -2.342 0.000) 19.855 1.786 ( 11.831 0.583 0.000) 11.845 2.479 ( 2.256 -1.284 0.000) 2.595 2.599 ( -10.078 0.331 0.000) 10.084 2.707 ( 4.089 6.464 0.000) 7.649 2.792 ( -0.357 1.660 0.000) 1.698 2.974 ( 2.124 5.407 0.000) 5.810 3.062 ( -2.304 2.481 0.000) 3.386 3.217 ( -2.800 3.037 0.000) 4.131 3.240 ( 4.330 -3.645 0.000) 5.660 3.376 ( 3.229 -7.408 0.000) 8.081 3.535 ( -3.506 0.190 0.000) 3.511 4.024 ( 3.504 -3.595 0.000) 5.020 4.528 ( 6.398 0.005 0.000) 6.398 4.698 ( 1.770 0.192 0.000) 1.780 6.060 ( 8.433 0.674 0.000) 8.460 8.073 ( -14.167 -0.079 0.000) 14.167 8.994 ( -37.037 -1.043 0.000) 37.052 9.551 ( 1.855 0.318 0.000) 1.882 9.657 ( -32.227 -0.269 0.000) 32.228 11.675 ( -0.935 9.569 0.000) 9.614 12.030 ( 0.334 -0.044 0.000) 0.337 12.511 ( -10.237 -24.461 0.000) 26.517 13.008 ( 12.448 -0.020 0.000) 12.448 13.593 ( -7.461 -0.187 0.000) 7.464 15.053 ( 9.283 8.311 0.000) 12.460 15.971 ( 9.224 -1.312 0.000) 9.317 ======================= Grid point 27 (20/155) ======================= q-point: (-0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.711 ( -9.361 3.908 0.000) 10.144 1.042 ( -7.069 12.406 0.000) 14.279 1.375 ( -18.026 2.126 0.000) 18.151 1.937 ( 9.100 -2.550 0.000) 9.451 1.964 ( 8.520 0.761 0.000) 8.554 2.416 ( -9.450 0.420 0.000) 9.459 2.483 ( -1.900 1.610 0.000) 2.491 2.707 ( 2.360 2.357 0.000) 3.335 2.799 ( 1.173 1.737 0.000) 2.096 2.925 ( -2.545 4.836 0.000) 5.465 3.006 ( -1.732 2.310 0.000) 2.887 3.168 ( 0.980 1.854 0.000) 2.097 3.353 ( 4.612 -3.599 0.000) 5.850 3.429 ( -1.866 -0.493 0.000) 1.930 3.596 ( 9.245 -2.522 0.000) 9.583 4.111 ( 1.856 -5.415 0.000) 5.724 4.638 ( 5.571 0.017 0.000) 5.571 4.741 ( 3.487 0.622 0.000) 3.542 6.246 ( 13.185 0.735 0.000) 13.206 7.768 ( -19.657 -0.017 0.000) 19.657 8.394 ( -30.126 -0.839 0.000) 30.138 9.073 ( -30.628 -0.114 0.000) 30.629 9.606 ( 3.267 0.280 0.000) 3.279 11.148 ( -50.640 -13.051 0.000) 52.295 12.035 ( 0.136 -0.101 0.000) 0.169 12.796 ( 16.638 -9.443 0.000) 19.131 13.205 ( 9.207 -0.073 0.000) 9.207 13.457 ( -7.431 -0.250 0.000) 7.436 15.134 ( 7.620 9.235 0.000) 11.973 16.184 ( 12.989 -1.506 0.000) 13.076 ======================= Grid point 28 (21/155) ======================= q-point: (-0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.520 ( -6.788 6.842 0.000) 9.638 0.701 ( -20.492 6.971 0.000) 21.645 1.102 ( -4.662 17.689 0.000) 18.293 2.051 ( 2.437 -0.698 0.000) 2.535 2.074 ( 4.368 0.600 0.000) 4.409 2.275 ( -5.528 0.435 0.000) 5.545 2.432 ( -1.685 0.896 0.000) 1.908 2.719 ( 0.957 3.885 0.000) 4.001 2.804 ( -2.379 0.040 0.000) 2.379 2.864 ( 1.713 -0.329 0.000) 1.745 2.964 ( -0.857 2.128 0.000) 2.295 3.216 ( 4.681 0.991 0.000) 4.785 3.381 ( -3.595 -0.241 0.000) 3.603 3.450 ( 2.847 -3.103 0.000) 4.211 3.816 ( 14.265 1.596 0.000) 14.354 4.172 ( -0.908 -7.009 0.000) 7.068 4.717 ( 3.157 0.026 0.000) 3.157 4.810 ( 5.432 2.264 0.000) 5.885 6.513 ( 16.756 0.405 0.000) 16.761 7.397 ( -20.857 0.206 0.000) 20.858 7.974 ( -16.992 -1.139 0.000) 17.030 8.623 ( -18.563 -0.016 0.000) 18.563 9.656 ( 2.285 0.326 0.000) 2.308 10.223 ( -64.459 -17.440 0.000) 66.777 12.037 ( -0.003 -0.153 0.000) 0.153 13.110 ( 11.602 -3.209 0.000) 12.038 13.330 ( 4.685 -0.116 0.000) 4.687 13.350 ( -4.789 -1.045 0.000) 4.901 15.167 ( 4.418 9.373 0.000) 10.362 16.435 ( 12.449 -2.441 0.000) 12.686 ======================= Grid point 29 (22/155) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.370 ( -0.000 9.557 0.000) 9.557 0.382 ( -0.000 9.675 0.000) 9.675 0.882 ( -0.000 24.848 0.000) 24.848 2.069 ( 0.000 -0.342 0.000) 0.342 2.108 ( -0.000 0.373 0.000) 0.373 2.222 ( -0.000 0.470 0.000) 0.470 2.411 ( -0.000 0.416 0.000) 0.416 2.705 ( -0.000 1.964 0.000) 1.964 2.749 ( -0.000 4.874 0.000) 4.874 2.932 ( 0.000 -7.331 0.000) 7.331 2.940 ( -0.000 1.909 0.000) 1.909 3.272 ( -0.000 2.295 0.000) 2.295 3.325 ( 0.000 -0.069 0.000) 0.069 3.499 ( 0.000 -2.661 0.000) 2.661 4.006 ( 0.000 -0.389 0.000) 0.389 4.196 ( 0.000 -7.155 0.000) 7.155 4.746 ( -0.000 0.023 0.000) 0.023 4.859 ( -0.000 3.297 0.000) 3.297 6.736 ( 0.000 -0.083 0.000) 0.083 7.133 ( -0.000 0.587 0.000) 0.587 7.830 ( 0.000 -1.282 0.000) 1.282 8.452 ( -0.000 0.043 0.000) 0.043 9.503 ( -0.000 0.190 0.000) 0.190 9.674 ( -0.000 0.316 0.000) 0.316 12.038 ( 0.000 -0.164 0.000) 0.164 13.231 ( 0.000 -0.061 0.000) 0.061 13.319 ( 0.000 -2.637 0.000) 2.637 13.373 ( 0.000 -0.124 0.000) 0.124 15.133 ( -0.000 8.802 0.000) 8.802 16.604 ( 0.000 -4.962 0.000) 4.962 ======================= Grid point 34 (23/155) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.120 ( -10.997 -0.000 0.000) 10.997 1.363 ( 2.791 0.000 0.000) 2.791 1.439 ( 5.331 0.000 0.000) 5.331 1.560 ( 13.946 0.000 0.000) 13.946 2.024 ( -15.648 -0.000 0.000) 15.648 2.406 ( 3.067 0.000 0.000) 3.067 2.650 ( 8.012 0.000 0.000) 8.012 2.757 ( -6.552 -0.000 0.000) 6.552 2.860 ( -1.217 -0.000 0.000) 1.217 2.984 ( 10.655 0.000 0.000) 10.655 3.103 ( 3.948 0.000 0.000) 3.948 3.168 ( -4.005 -0.000 0.000) 4.005 3.177 ( -1.512 -0.000 0.000) 1.512 3.323 ( -3.405 -0.000 0.000) 3.405 3.656 ( -6.141 -0.000 0.000) 6.141 3.928 ( 1.888 0.000 0.000) 1.888 4.426 ( 4.564 0.000 0.000) 4.564 4.680 ( 0.649 0.000 0.000) 0.649 5.954 ( 4.559 0.000 0.000) 4.559 8.262 ( -7.062 -0.000 0.000) 7.062 9.523 ( 1.124 0.000 0.000) 1.124 9.646 ( -37.537 -0.000 0.000) 37.537 10.173 ( -23.208 -0.000 0.000) 23.208 11.367 ( 42.560 0.000 0.000) 42.560 12.024 ( 0.305 0.000 0.000) 0.305 12.693 ( -36.781 -0.000 0.000) 36.781 12.789 ( 10.836 0.000 0.000) 10.836 13.696 ( -4.272 -0.000 0.000) 4.272 15.005 ( 8.867 0.000 0.000) 8.867 15.842 ( 3.427 0.000 0.000) 3.427 ======================= Grid point 35 (24/155) ======================= q-point: (-0.60 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.932 ( -9.818 0.639 0.000) 9.838 1.325 ( -0.121 4.287 0.000) 4.289 1.665 ( 13.668 -1.304 0.000) 13.730 1.700 ( -21.064 -1.445 0.000) 21.113 1.793 ( 11.990 0.216 0.000) 11.992 2.461 ( 2.706 -0.627 0.000) 2.778 2.603 ( -10.032 0.134 0.000) 10.033 2.787 ( 5.976 2.921 0.000) 6.651 2.813 ( -1.510 0.527 0.000) 1.599 3.070 ( -2.208 5.868 0.000) 6.269 3.097 ( -2.912 1.462 0.000) 3.258 3.192 ( 4.831 -1.902 0.000) 5.192 3.235 ( 7.688 -5.398 0.000) 9.394 3.261 ( -1.971 -0.851 0.000) 2.147 3.544 ( -5.158 0.452 0.000) 5.178 3.983 ( 3.020 -1.313 0.000) 3.292 4.528 ( 6.404 0.004 0.000) 6.404 4.701 ( 1.818 0.114 0.000) 1.821 6.068 ( 8.497 0.250 0.000) 8.501 8.072 ( -14.155 -0.030 0.000) 14.155 8.982 ( -36.550 -0.406 0.000) 36.552 9.555 ( 2.489 0.160 0.000) 2.494 9.653 ( -32.814 -0.140 0.000) 32.814 11.853 ( -25.032 11.476 0.000) 27.537 12.030 ( 0.309 -0.017 0.000) 0.310 12.166 ( 11.809 -16.786 0.000) 20.524 13.008 ( 12.421 -0.008 0.000) 12.421 13.589 ( -7.403 -0.171 0.000) 7.405 15.152 ( 8.945 3.295 0.000) 9.532 15.954 ( 8.908 -0.557 0.000) 8.925 ======================= Grid point 36 (25/155) ======================= q-point: (-0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.760 ( -8.171 2.073 0.000) 8.430 1.209 ( -14.952 7.662 0.000) 16.801 1.399 ( -5.531 0.702 0.000) 5.576 1.903 ( 10.794 -1.513 0.000) 10.900 1.974 ( 8.462 0.478 0.000) 8.476 2.422 ( -9.449 0.272 0.000) 9.453 2.495 ( -0.205 0.060 0.000) 0.213 2.724 ( -3.010 0.800 0.000) 3.115 2.868 ( 0.900 5.077 0.000) 5.156 2.973 ( -2.395 0.565 0.000) 2.461 3.040 ( -2.018 1.668 0.000) 2.618 3.194 ( -1.748 1.300 0.000) 2.178 3.302 ( 5.139 -2.454 0.000) 5.695 3.414 ( -0.125 -1.162 0.000) 1.168 3.559 ( 11.540 -1.801 0.000) 11.680 4.043 ( 1.516 -2.818 0.000) 3.200 4.638 ( 5.582 0.014 0.000) 5.582 4.750 ( 4.239 0.468 0.000) 4.265 6.256 ( 13.006 0.442 0.000) 13.014 7.768 ( -19.556 -0.012 0.000) 19.556 8.382 ( -30.151 -0.524 0.000) 30.155 9.072 ( -30.579 -0.061 0.000) 30.580 9.610 ( 3.318 0.166 0.000) 3.322 10.988 ( -57.067 -6.507 0.000) 57.437 12.034 ( 0.097 -0.062 0.000) 0.115 12.687 ( 24.765 -4.207 0.000) 25.120 13.204 ( 9.171 -0.045 0.000) 9.171 13.452 ( -7.660 -0.273 0.000) 7.665 15.261 ( 7.259 5.786 0.000) 9.283 16.157 ( 12.358 -1.434 0.000) 12.441 ======================= Grid point 37 (26/155) ======================= q-point: (-0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.612 ( -5.289 4.317 0.000) 6.827 0.792 ( -21.754 4.249 0.000) 22.165 1.362 ( 3.384 13.267 0.000) 13.692 2.041 ( 3.411 -0.472 0.000) 3.444 2.083 ( 4.237 0.552 0.000) 4.272 2.281 ( -5.573 0.328 0.000) 5.582 2.448 ( -2.845 1.001 0.000) 3.016 2.723 ( 0.849 -3.656 0.000) 3.753 2.789 ( -3.428 2.200 0.000) 4.073 2.940 ( -0.282 5.752 0.000) 5.759 2.999 ( -0.965 1.896 0.000) 2.127 3.211 ( 3.143 -1.864 0.000) 3.654 3.374 ( -3.344 -0.354 0.000) 3.362 3.401 ( 3.271 -2.662 0.000) 4.217 3.823 ( 14.041 -0.557 0.000) 14.052 4.077 ( -1.092 -4.342 0.000) 4.477 4.718 ( 3.162 0.026 0.000) 3.162 4.844 ( 6.784 1.713 0.000) 6.997 6.519 ( 16.339 0.315 0.000) 16.342 7.400 ( -20.572 0.165 0.000) 20.572 7.956 ( -17.299 -0.929 0.000) 17.324 8.622 ( -18.474 -0.011 0.000) 18.474 9.661 ( 2.300 0.264 0.000) 2.315 10.037 ( -52.063 -6.910 0.000) 52.519 12.035 ( -0.035 -0.124 0.000) 0.129 13.064 ( 14.312 -2.456 0.000) 14.521 13.328 ( 4.661 -0.094 0.000) 4.662 13.335 ( -5.675 -0.713 0.000) 5.720 15.310 ( 4.140 7.549 0.000) 8.609 16.387 ( 10.248 -2.936 0.000) 10.661 ======================= Grid point 38 (27/155) ======================= q-point: (-0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.504 ( -0.000 6.736 0.000) 6.736 0.516 ( -0.000 6.597 0.000) 6.597 1.253 ( -0.000 20.126 0.000) 20.126 2.063 ( 0.000 -0.378 0.000) 0.378 2.116 ( -0.000 0.548 0.000) 0.548 2.228 ( -0.000 0.350 0.000) 0.350 2.417 ( -0.000 0.359 0.000) 0.359 2.739 ( -0.000 2.100 0.000) 2.100 2.772 ( 0.000 -4.172 0.000) 4.172 2.890 ( -0.000 4.405 0.000) 4.405 2.974 ( -0.000 2.064 0.000) 2.064 3.293 ( 0.000 -3.740 0.000) 3.740 3.311 ( -0.000 2.278 0.000) 2.278 3.453 ( 0.000 -2.783 0.000) 2.783 3.999 ( 0.000 -0.405 0.000) 0.405 4.081 ( 0.000 -6.541 0.000) 6.541 4.746 ( -0.000 0.030 0.000) 0.030 4.908 ( -0.000 2.604 0.000) 2.604 6.734 ( 0.000 -0.083 0.000) 0.083 7.142 ( -0.000 0.572 0.000) 0.572 7.808 ( 0.000 -1.296 0.000) 1.296 8.452 ( -0.000 0.043 0.000) 0.043 9.506 ( -0.000 0.191 0.000) 0.191 9.680 ( -0.000 0.318 0.000) 0.318 12.036 ( 0.000 -0.164 0.000) 0.164 13.230 ( 0.000 -0.061 0.000) 0.061 13.271 ( 0.000 -3.041 0.000) 3.041 13.371 ( 0.000 -0.125 0.000) 0.125 15.281 ( -0.000 8.720 0.000) 8.720 16.522 ( 0.000 -4.703 0.000) 4.703 ======================= Grid point 45 (28/155) ======================= q-point: (-0.60 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.777 ( -7.778 -0.000 0.000) 7.778 1.276 ( -24.833 -0.000 0.000) 24.833 1.402 ( 5.912 0.000 0.000) 5.912 1.890 ( 11.420 0.000 0.000) 11.420 1.978 ( 8.447 0.000 0.000) 8.447 2.424 ( -9.453 -0.000 0.000) 9.453 2.494 ( 0.662 0.000 0.000) 0.662 2.733 ( -4.875 -0.000 0.000) 4.875 2.936 ( 6.670 0.000 0.000) 6.670 2.950 ( -8.858 -0.000 0.000) 8.858 3.054 ( -2.223 -0.000 0.000) 2.223 3.206 ( -3.088 -0.000 0.000) 3.088 3.281 ( 5.436 0.000 0.000) 5.436 3.402 ( 1.769 0.000 0.000) 1.769 3.543 ( 11.543 0.000 0.000) 11.543 4.020 ( 1.516 0.000 0.000) 1.516 4.638 ( 5.586 0.000 0.000) 5.586 4.755 ( 4.506 0.000 0.000) 4.506 6.260 ( 12.940 0.000 0.000) 12.940 7.768 ( -19.517 -0.000 0.000) 19.517 8.378 ( -30.158 -0.000 0.000) 30.158 9.071 ( -30.566 -0.000 0.000) 30.566 9.611 ( 3.342 0.000 0.000) 3.342 10.935 ( -58.322 -0.000 0.000) 58.322 12.033 ( 0.082 0.000 0.000) 0.082 12.653 ( 27.046 0.000 0.000) 27.046 13.204 ( 9.157 0.000 0.000) 9.157 13.450 ( -7.707 -0.000 0.000) 7.707 15.310 ( 7.070 0.000 0.000) 7.070 16.145 ( 12.091 0.000 0.000) 12.091 ======================= Grid point 47 (29/155) ======================= q-point: (-0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.659 ( -4.638 1.448 0.000) 4.859 0.839 ( -21.770 1.465 0.000) 21.820 1.514 ( 7.342 4.868 0.000) 8.809 2.036 ( 4.076 -0.107 0.000) 4.077 2.090 ( 4.198 0.225 0.000) 4.204 2.285 ( -5.641 0.121 0.000) 5.642 2.461 ( -3.514 0.511 0.000) 3.551 2.679 ( -0.952 -1.419 0.000) 1.709 2.819 ( -4.625 1.070 0.000) 4.747 3.018 ( 2.714 3.200 0.000) 4.196 3.022 ( -1.075 0.786 0.000) 1.332 3.167 ( -0.921 -2.440 0.000) 2.608 3.369 ( 3.579 -1.074 0.000) 3.737 3.372 ( -2.176 0.073 0.000) 2.178 3.809 ( 13.544 -0.664 0.000) 13.561 4.032 ( -0.863 -1.276 0.000) 1.540 4.718 ( 3.165 0.011 0.000) 3.165 4.864 ( 7.368 0.621 0.000) 7.394 6.523 ( 16.084 0.118 0.000) 16.084 7.402 ( -20.396 0.062 0.000) 20.396 7.945 ( -17.492 -0.357 0.000) 17.496 8.622 ( -18.421 -0.004 0.000) 18.421 9.664 ( 2.311 0.101 0.000) 2.313 9.968 ( -46.584 -1.903 0.000) 46.623 12.033 ( -0.054 -0.047 0.000) 0.072 13.034 ( 15.239 -0.977 0.000) 15.270 13.327 ( -6.027 -0.265 0.000) 6.033 13.327 ( 4.646 -0.036 0.000) 4.646 15.398 ( 3.934 2.874 0.000) 4.872 16.351 ( 9.404 -1.181 0.000) 9.478 ======================= Grid point 48 (30/155) ======================= q-point: (-0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.587 ( -0.000 3.459 0.000) 3.459 0.596 ( -0.000 3.282 0.000) 3.282 1.521 ( -0.000 11.920 0.000) 11.920 2.058 ( 0.000 -0.252 0.000) 0.252 2.124 ( -0.000 0.425 0.000) 0.425 2.233 ( -0.000 0.157 0.000) 0.157 2.422 ( -0.000 0.198 0.000) 0.198 2.699 ( 0.000 -3.512 0.000) 3.512 2.769 ( -0.000 1.359 0.000) 1.359 2.989 ( -0.000 6.389 0.000) 6.389 3.003 ( -0.000 1.384 0.000) 1.384 3.212 ( 0.000 -5.831 0.000) 5.831 3.342 ( -0.000 1.400 0.000) 1.400 3.414 ( 0.000 -1.815 0.000) 1.815 3.993 ( 0.000 -3.898 0.000) 3.898 3.993 ( 0.000 -0.259 0.000) 0.259 4.746 ( -0.000 0.022 0.000) 0.022 4.941 ( -0.000 1.404 0.000) 1.404 6.733 ( 0.000 -0.051 0.000) 0.051 7.150 ( -0.000 0.346 0.000) 0.346 7.790 ( 0.000 -0.808 0.000) 0.808 8.453 ( -0.000 0.026 0.000) 0.026 9.508 ( -0.000 0.119 0.000) 0.119 9.684 ( -0.000 0.198 0.000) 0.198 12.033 ( 0.000 -0.101 0.000) 0.101 13.227 ( 0.000 -2.092 0.000) 2.092 13.229 ( 0.000 -0.038 0.000) 0.038 13.369 ( 0.000 -0.077 0.000) 0.077 15.400 ( -0.000 5.354 0.000) 5.354 16.459 ( 0.000 -2.774 0.000) 2.774 ======================= Grid point 58 (31/155) ======================= q-point: ( 0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.616 ( -0.000 0.000 0.000) 0.000 0.623 ( -0.000 0.000 0.000) 0.000 1.622 ( -0.000 0.000 0.000) 0.000 2.056 ( -0.000 0.000 0.000) 0.000 2.128 ( -0.000 0.000 0.000) 0.000 2.234 ( -0.000 0.000 0.000) 0.000 2.423 ( -0.000 0.000 0.000) 0.000 2.669 ( -0.000 0.000 0.000) 0.000 2.780 ( -0.000 0.000 0.000) 0.000 3.015 ( -0.000 0.000 0.000) 0.000 3.069 ( 0.000 -0.000 0.000) 0.000 3.134 ( -0.000 0.000 0.000) 0.000 3.354 ( -0.000 0.000 0.000) 0.000 3.399 ( -0.000 0.000 0.000) 0.000 3.960 ( -0.000 0.000 0.000) 0.000 3.991 ( -0.000 0.000 0.000) 0.000 4.747 ( -0.000 0.000 0.000) 0.000 4.953 ( -0.000 0.000 0.000) 0.000 6.733 ( -0.000 0.000 0.000) 0.000 7.153 ( -0.000 0.000 0.000) 0.000 7.783 ( -0.000 0.000 0.000) 0.000 8.453 ( -0.000 0.000 0.000) 0.000 9.509 ( -0.000 0.000 0.000) 0.000 9.686 ( -0.000 0.000 0.000) 0.000 12.033 ( -0.000 0.000 0.000) 0.000 13.209 ( -0.000 0.000 0.000) 0.000 13.229 ( -0.000 0.000 0.000) 0.000 13.369 ( -0.000 0.000 0.000) 0.000 15.445 ( -0.000 0.000 0.000) 0.000 16.436 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 105 (32/155) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.251 ( 0.000 0.000 12.746) 12.746 0.297 ( 0.000 0.000 14.899) 14.899 0.811 ( 0.000 0.000 39.218) 39.218 2.042 ( 0.000 0.000 -6.050) 6.050 2.063 ( 0.000 0.000 -2.076) 2.076 2.232 ( 0.000 0.000 1.922) 1.922 2.426 ( 0.000 0.000 3.033) 3.033 2.512 ( 0.000 0.000 2.484) 2.484 2.618 ( 0.000 0.000 -3.155) 3.155 2.686 ( 0.000 0.000 1.670) 1.670 3.154 ( 0.000 0.000 0.626) 0.626 3.191 ( 0.000 0.000 -5.765) 5.765 3.197 ( 0.000 0.000 -2.940) 2.940 3.612 ( 0.000 0.000 5.138) 5.138 3.960 ( 0.000 0.000 -5.125) 5.125 3.993 ( 0.000 0.000 -0.220) 0.220 4.745 ( 0.000 0.000 -0.196) 0.196 4.750 ( 0.000 0.000 -2.987) 2.987 7.008 ( 0.000 0.000 25.279) 25.279 7.754 ( 0.000 0.000 -6.403) 6.403 7.859 ( 0.000 0.000 19.495) 19.495 8.668 ( 0.000 0.000 17.861) 17.861 9.442 ( 0.000 0.000 -5.361) 5.361 12.006 ( 0.000 0.000 -12.364) 12.364 12.055 ( 0.000 0.000 1.315) 1.315 13.173 ( 0.000 0.000 -5.845) 5.845 13.460 ( 0.000 0.000 7.871) 7.871 13.968 ( 0.000 0.000 7.317) 7.317 14.949 ( 0.000 0.000 -1.672) 1.672 16.037 ( 0.000 0.000 -5.544) 5.544 ======================= Grid point 106 (33/155) ======================= q-point: ( 0.10 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.409 ( 9.478 -9.174 8.213) 15.539 0.608 ( 18.143 -2.624 11.828) 21.816 0.949 ( 17.026 -1.473 29.199) 33.833 2.011 ( -3.608 -0.326 -5.000) 6.175 2.053 ( -1.184 0.329 -2.007) 2.354 2.241 ( 0.204 -0.210 -1.116) 1.153 2.421 ( -0.090 -3.951 3.357) 5.185 2.585 ( 3.000 -0.145 1.720) 3.461 2.633 ( 1.601 -3.888 -1.836) 4.588 2.791 ( 6.838 -1.545 -3.898) 8.021 3.061 ( -5.076 4.848 -0.539) 7.039 3.123 ( -5.009 -2.723 -1.343) 5.857 3.297 ( 4.580 -0.555 -4.826) 6.677 3.588 ( -2.420 0.399 5.028) 5.594 3.759 ( -7.465 0.130 3.236) 8.137 4.188 ( 6.377 1.741 -10.431) 12.350 4.720 ( -2.632 0.194 0.120) 2.642 4.736 ( -1.142 0.686 -2.874) 3.168 6.885 ( -13.882 0.339 31.079) 34.040 7.782 ( 5.885 1.380 25.764) 26.463 7.916 ( 17.988 0.255 -5.512) 18.815 8.819 ( 16.490 0.037 16.322) 23.202 9.800 ( 20.650 0.208 2.949) 20.861 11.754 ( -4.334 28.716 1.166) 29.064 12.006 ( -5.878 -5.634 -4.609) 9.356 13.219 ( 4.823 0.496 -5.856) 7.603 13.402 ( -3.401 5.545 7.908) 10.240 13.686 ( -6.006 21.499 10.996) 24.883 14.924 ( -3.573 -1.856 -1.813) 4.416 16.079 ( -5.856 -12.821 -9.549) 17.025 ======================= Grid point 107 (34/155) ======================= q-point: ( 0.20 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.663 ( 9.815 -9.366 5.630) 14.689 0.856 ( 10.306 -2.172 19.482) 22.147 1.386 ( 26.602 -0.351 10.087) 28.452 1.923 ( -6.676 -0.767 -2.127) 7.048 2.000 ( -4.387 1.696 -1.507) 4.939 2.247 ( 0.537 -1.227 -5.298) 5.465 2.492 ( 3.350 -4.786 3.605) 6.865 2.592 ( -0.760 0.471 -2.663) 2.809 2.727 ( 2.824 -4.039 0.740) 4.983 2.903 ( 4.321 -1.983 -2.304) 5.284 2.924 ( -5.875 3.592 1.984) 7.166 3.080 ( -0.763 -2.380 -0.054) 2.500 3.358 ( 1.930 -0.089 -3.918) 4.368 3.527 ( -3.587 0.626 4.872) 6.082 3.670 ( -2.450 1.911 1.173) 3.321 4.203 ( -1.142 3.420 -7.739) 8.538 4.651 ( -4.712 0.298 1.144) 4.859 4.704 ( -1.580 0.935 -2.835) 3.378 6.625 ( -13.018 -0.074 36.472) 38.726 8.008 ( 16.335 0.715 19.733) 25.627 8.367 ( 31.987 0.258 -3.261) 32.154 9.224 ( 27.866 0.170 12.587) 30.577 9.977 ( 1.633 0.160 29.633) 29.678 11.562 ( -1.580 12.111 -7.738) 14.458 11.955 ( -2.809 -3.558 -7.043) 8.376 13.247 ( -6.813 1.118 2.698) 7.412 13.331 ( 7.489 11.585 -1.679) 13.897 13.493 ( -1.027 10.583 0.286) 10.636 14.856 ( -6.311 -3.134 -2.370) 7.435 16.021 ( -8.130 -5.196 -8.950) 13.160 ======================= Grid point 108 (35/155) ======================= q-point: ( 0.30 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.904 ( 9.235 -8.257 4.703) 13.250 1.054 ( 10.498 -1.505 17.401) 20.378 1.786 ( -5.530 -0.893 1.556) 5.814 1.815 ( 15.988 2.691 2.680) 16.433 1.860 ( -6.937 3.742 0.639) 7.908 2.299 ( 3.078 -3.928 -7.091) 8.671 2.544 ( -4.429 1.020 -3.922) 6.003 2.582 ( 2.694 -1.183 -0.765) 3.040 2.770 ( 0.401 -2.721 -2.807) 3.930 2.830 ( -3.628 -2.251 2.592) 4.995 2.994 ( 4.213 -2.037 0.822) 4.751 3.150 ( 5.391 -2.686 4.721) 7.653 3.362 ( -1.329 1.299 -0.982) 2.102 3.469 ( -2.038 -0.368 3.963) 4.472 3.626 ( -0.037 3.514 -0.419) 3.539 4.119 ( -4.519 3.728 -4.751) 7.542 4.554 ( -5.510 0.440 2.330) 5.999 4.670 ( -1.308 0.728 -2.648) 3.041 6.442 ( -7.766 -0.441 38.248) 39.031 8.278 ( 13.555 0.728 17.047) 21.792 9.012 ( 39.671 0.602 -1.069) 39.690 9.758 ( 30.640 0.317 8.708) 31.855 9.947 ( -2.952 0.323 37.244) 37.363 11.369 ( -17.929 -3.978 -7.162) 19.712 11.984 ( 3.460 0.173 -4.484) 5.667 13.063 ( -12.462 -0.185 4.993) 13.426 13.302 ( 6.479 20.618 -6.386) 22.535 13.528 ( 6.316 -0.390 -5.665) 8.494 14.758 ( -7.425 -3.653 -3.502) 8.985 15.899 ( -7.655 -0.618 -8.848) 11.716 ======================= Grid point 109 (36/155) ======================= q-point: ( 0.40 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.134 ( 9.702 -7.185 4.181) 12.777 1.254 ( 10.916 -0.611 13.865) 17.657 1.614 ( -11.022 2.344 4.029) 11.967 1.646 ( -10.268 2.456 4.485) 11.471 2.092 ( 12.754 3.306 -2.018) 13.330 2.396 ( 0.207 -4.094 -7.934) 8.930 2.438 ( -2.865 0.661 -2.144) 3.639 2.608 ( 1.293 1.447 -7.070) 7.332 2.780 ( -2.683 -1.994 -3.975) 5.194 2.843 ( 2.147 -3.374 1.310) 4.208 3.085 ( 3.851 -2.220 3.415) 5.605 3.267 ( 3.149 -2.562 4.566) 6.109 3.301 ( -1.961 1.815 4.659) 5.370 3.458 ( -0.456 -0.145 2.530) 2.575 3.618 ( 2.161 2.756 -0.982) 3.637 4.001 ( -5.025 2.661 -2.223) 6.105 4.461 ( -4.047 0.390 3.224) 5.188 4.648 ( -0.685 0.358 -2.433) 2.553 6.349 ( -3.397 -0.390 39.047) 39.196 8.459 ( 7.185 0.537 16.379) 17.894 9.728 ( 40.509 2.124 -0.376) 40.566 9.900 ( -1.205 0.149 37.010) 37.030 10.245 ( 21.913 0.192 6.022) 22.726 10.983 ( -30.116 -6.925 -4.269) 31.195 12.033 ( 1.754 0.138 0.716) 1.899 12.838 ( -11.502 -0.443 4.785) 12.465 13.287 ( 6.798 12.968 -10.011) 17.737 13.637 ( 4.614 -0.543 -6.203) 7.750 14.665 ( -5.479 -2.719 -5.029) 7.918 15.781 ( -4.894 0.781 -9.036) 10.305 ======================= Grid point 110 (37/155) ======================= q-point: (-0.50 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.359 ( 0.000 -0.000 4.499) 4.499 1.387 ( -0.000 0.000 2.698) 2.698 1.435 ( 0.000 -0.000 9.680) 9.680 1.470 ( -0.000 -0.000 10.571) 10.571 2.215 ( 0.000 -0.000 -3.909) 3.909 2.329 ( 0.000 -0.000 -5.430) 5.430 2.472 ( 0.000 -0.000 -2.558) 2.558 2.618 ( 0.000 0.000 -10.793) 10.793 2.756 ( -0.000 -0.000 -4.232) 4.232 2.883 ( 0.000 -0.000 0.730) 0.730 3.146 ( 0.000 -0.000 4.724) 4.724 3.233 ( -0.000 0.000 2.414) 2.414 3.340 ( 0.000 0.000 7.710) 7.710 3.446 ( 0.000 -0.000 1.543) 1.543 3.637 ( 0.000 0.000 -0.502) 0.502 3.935 ( 0.000 -0.000 -0.894) 0.894 4.421 ( 0.000 -0.000 3.526) 3.526 4.640 ( 0.000 -0.000 -2.346) 2.346 6.321 ( 0.000 -0.000 39.280) 39.280 8.521 ( 0.000 -0.000 16.377) 16.377 9.879 ( 0.000 -0.000 36.354) 36.354 10.381 ( 0.000 0.000 -1.779) 1.779 10.419 ( -0.000 -0.000 -4.132) 4.132 10.491 ( 0.000 -0.000 7.949) 7.949 12.047 ( 0.000 -0.000 2.392) 2.392 12.724 ( 0.000 -0.000 4.315) 4.315 13.301 ( 0.000 -0.000 -10.302) 10.302 13.683 ( 0.000 -0.000 -6.341) 6.341 14.625 ( 0.000 0.000 -5.857) 5.857 15.731 ( 0.000 -0.000 -9.134) 9.134 ======================= Grid point 117 (38/155) ======================= q-point: ( 0.10 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.580 ( 12.192 0.000 7.075) 14.096 0.837 ( 10.916 0.000 19.882) 22.682 1.384 ( 27.928 0.000 11.202) 30.091 1.916 ( -6.703 -0.000 -2.364) 7.108 2.015 ( -3.737 -0.000 -1.391) 3.988 2.234 ( -0.568 -0.000 -4.301) 4.338 2.450 ( 5.233 0.000 2.731) 5.903 2.601 ( -1.310 -0.000 -4.679) 4.859 2.688 ( 4.420 0.000 3.808) 5.834 2.886 ( 4.505 0.000 -2.379) 5.095 2.963 ( -8.727 -0.000 0.799) 8.763 3.053 ( 0.605 0.000 0.634) 0.876 3.357 ( 2.171 0.000 -3.888) 4.453 3.533 ( -3.709 -0.000 4.519) 5.846 3.685 ( -2.049 -0.000 1.638) 2.623 4.233 ( -1.347 -0.000 -8.123) 8.233 4.653 ( -4.696 -0.000 1.378) 4.894 4.713 ( -1.730 -0.000 -2.658) 3.171 6.625 ( -13.253 -0.000 36.589) 38.916 8.015 ( 16.153 0.000 19.927) 25.652 8.369 ( 31.941 0.000 -3.421) 32.123 9.226 ( 27.911 0.000 12.620) 30.631 9.979 ( 1.789 0.000 29.581) 29.635 11.677 ( -17.038 -0.000 -9.183) 19.355 11.914 ( 2.928 0.000 -8.485) 8.976 13.249 ( -6.813 -0.000 2.193) 7.157 13.385 ( 4.939 0.000 -1.963) 5.315 13.663 ( -4.931 -0.000 -2.399) 5.484 14.838 ( -5.366 -0.000 -2.660) 5.989 15.960 ( -4.095 -0.000 -6.719) 7.869 ======================= Grid point 118 (39/155) ======================= q-point: ( 0.20 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.806 ( 11.380 -3.243 5.751) 13.156 1.036 ( 11.253 -0.639 18.149) 21.364 1.774 ( -7.575 -0.407 1.160) 7.674 1.852 ( 21.953 1.414 4.123) 22.382 1.905 ( -7.742 1.524 0.406) 7.901 2.244 ( 1.179 -2.131 -4.831) 5.411 2.553 ( -3.503 0.403 -4.978) 6.100 2.570 ( 5.853 -0.519 -0.782) 5.928 2.738 ( 1.024 -1.052 -1.696) 2.244 2.809 ( -6.474 -0.423 1.050) 6.572 2.971 ( 4.252 -0.753 0.763) 4.385 3.118 ( 5.327 -1.057 5.108) 7.456 3.373 ( -0.291 0.258 -1.861) 1.901 3.467 ( -3.117 0.008 4.140) 5.182 3.663 ( -0.148 1.085 -0.442) 1.180 4.164 ( -5.218 1.499 -5.355) 7.626 4.560 ( -5.492 0.183 2.814) 6.173 4.680 ( -1.553 0.390 -2.475) 2.948 6.437 ( -7.825 -0.167 38.447) 39.235 8.286 ( 13.451 0.300 17.454) 22.038 9.019 ( 40.127 0.229 -1.432) 40.153 9.762 ( 30.674 0.120 8.721) 31.890 9.951 ( -3.087 0.144 37.717) 37.844 11.324 ( -22.515 -1.416 -6.330) 23.430 11.986 ( 3.922 0.056 -4.273) 5.800 13.058 ( -12.914 -0.217 4.638) 13.723 13.506 ( 6.855 1.522 -5.819) 9.120 13.561 ( -2.508 5.999 -8.556) 10.746 14.740 ( -4.998 0.482 -4.353) 6.645 15.881 ( -5.545 -1.034 -7.987) 9.778 ======================= Grid point 119 (40/155) ======================= q-point: ( 0.30 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.036 ( 10.998 -4.407 4.692) 12.743 1.246 ( 11.678 -0.423 14.922) 18.953 1.613 ( -9.886 -0.502 5.488) 11.318 1.715 ( -10.389 3.740 2.260) 11.271 2.150 ( 11.820 3.775 -1.552) 12.505 2.320 ( 3.075 -4.746 -5.163) 7.658 2.449 ( -5.257 0.376 -3.063) 6.096 2.638 ( 1.664 2.092 -6.544) 7.069 2.754 ( -1.508 -1.412 -2.830) 3.504 2.794 ( 4.166 -2.376 -1.088) 4.918 3.055 ( 4.148 -1.352 3.579) 5.643 3.222 ( 3.897 -2.282 5.716) 7.285 3.332 ( -3.215 1.479 2.365) 4.257 3.446 ( 0.141 -0.837 3.766) 3.861 3.660 ( 1.088 1.901 -1.849) 2.866 4.040 ( -6.481 1.872 -2.779) 7.296 4.467 ( -4.192 0.304 3.759) 5.639 4.655 ( -0.877 0.423 -2.356) 2.549 6.343 ( -3.192 -0.264 39.185) 39.315 8.467 ( 6.868 0.372 16.775) 18.131 9.758 ( 42.322 1.407 -0.989) 42.356 9.902 ( -1.614 0.050 37.503) 37.538 10.248 ( 21.647 0.100 6.010) 22.466 10.891 ( -28.881 -4.036 -3.129) 29.329 12.035 ( 1.583 0.061 0.861) 1.803 12.832 ( -11.207 -0.281 4.256) 11.991 13.428 ( -6.038 4.514 -9.915) 12.455 13.626 ( 4.678 -0.666 -6.114) 7.727 14.670 ( -0.942 2.477 -6.360) 6.890 15.788 ( -4.745 0.136 -8.860) 10.051 ======================= Grid point 120 (41/155) ======================= q-point: ( 0.40 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.275 ( 11.409 -5.104 3.736) 13.045 1.424 ( -5.379 0.035 8.892) 10.393 1.463 ( 5.626 1.057 10.629) 12.072 1.494 ( -8.946 4.525 4.367) 10.935 2.212 ( -5.251 -0.441 -4.138) 6.700 2.323 ( 1.553 -0.651 -4.972) 5.250 2.475 ( 3.853 0.298 -2.512) 4.609 2.623 ( -2.183 0.545 -11.091) 11.317 2.764 ( 2.847 0.873 -3.848) 4.866 2.882 ( 3.410 -0.065 -0.057) 3.411 3.134 ( 3.059 -1.079 5.095) 6.040 3.243 ( -2.886 0.642 1.521) 3.325 3.304 ( 0.792 -3.310 6.118) 7.001 3.450 ( -0.728 0.296 5.090) 5.150 3.657 ( -0.527 1.911 -1.783) 2.667 3.937 ( -2.706 0.281 -0.845) 2.849 4.422 ( -0.352 0.118 3.643) 3.662 4.643 ( -0.139 0.288 -2.349) 2.370 6.320 ( 0.367 -0.047 39.259) 39.261 8.522 ( -0.501 0.054 16.410) 16.418 9.880 ( -0.092 0.124 36.526) 36.526 10.329 ( -30.613 -3.563 -1.889) 30.878 10.453 ( 7.725 1.401 0.604) 7.875 10.510 ( 27.806 2.322 3.153) 28.080 12.046 ( -0.101 -0.018 2.375) 2.377 12.724 ( 0.420 -0.002 4.315) 4.336 13.249 ( -14.332 -5.259 -9.078) 17.762 13.678 ( 0.276 -0.523 -6.263) 6.291 14.676 ( 5.134 5.324 -7.048) 10.216 15.731 ( -0.970 0.040 -9.173) 9.224 ======================= Grid point 121 (42/155) ======================= q-point: (-0.50 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.244 ( -8.824 3.525 8.855) 12.989 1.278 ( -9.251 4.538 7.519) 12.756 1.532 ( 11.958 -5.369 2.137) 13.281 1.650 ( 10.523 0.965 7.440) 12.924 2.043 ( -13.665 -2.734 -2.668) 14.189 2.405 ( 5.183 -1.453 -4.221) 6.840 2.473 ( -3.184 3.528 -8.194) 9.472 2.591 ( 0.298 -0.633 -7.127) 7.161 2.822 ( 4.703 3.206 -4.218) 7.085 2.897 ( -0.239 3.065 2.110) 3.729 3.123 ( -3.302 2.230 3.066) 5.027 3.253 ( 3.074 -2.336 3.317) 5.090 3.312 ( -3.156 0.313 6.217) 6.979 3.433 ( -0.443 -2.589 2.484) 3.615 3.598 ( -3.913 0.685 0.108) 3.974 3.959 ( 3.177 -2.450 -1.630) 4.331 4.456 ( 3.829 -0.272 2.749) 4.722 4.645 ( 0.474 -0.001 -2.558) 2.602 6.355 ( 3.670 0.343 38.843) 39.017 8.451 ( -7.570 -0.469 15.945) 17.657 9.693 ( -38.877 -2.058 0.195) 38.932 9.898 ( 1.291 -0.136 36.750) 36.773 10.242 ( -22.207 -0.225 6.006) 23.006 11.108 ( 32.591 8.003 -5.768) 34.051 12.030 ( -2.091 -0.220 0.434) 2.147 12.846 ( 11.785 0.416 5.400) 12.970 13.027 ( -19.566 -17.470 -7.751) 27.351 13.642 ( -4.441 -0.021 -6.169) 7.601 14.754 ( 8.933 7.292 -5.948) 12.975 15.765 ( 4.377 -0.986 -9.158) 10.198 ======================= Grid point 122 (43/155) ======================= q-point: (-0.40 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( -6.634 8.982 5.343) 12.378 1.083 ( -9.145 2.912 14.336) 17.252 1.762 ( -10.807 -3.239 0.632) 11.300 1.785 ( 3.258 -3.560 0.676) 4.873 1.817 ( 7.482 0.779 2.883) 8.056 2.356 ( -5.458 2.800 -9.837) 11.593 2.514 ( 4.609 -2.416 -2.509) 5.777 2.617 ( 2.557 2.964 -2.990) 4.925 2.826 ( -1.446 3.998 -0.238) 4.258 2.881 ( 2.764 3.848 1.617) 5.006 3.033 ( -3.962 2.643 0.862) 4.840 3.201 ( -5.691 3.322 4.222) 7.826 3.332 ( 2.593 -2.221 0.922) 3.537 3.469 ( 1.448 -1.417 2.843) 3.491 3.556 ( -1.093 -4.006 0.073) 4.153 4.052 ( 3.450 -4.217 -3.736) 6.606 4.547 ( 5.514 -0.465 1.640) 5.772 4.660 ( 1.021 -0.461 -3.039) 3.239 6.451 ( 7.723 0.541 37.921) 38.703 8.265 ( -13.694 -0.808 16.411) 21.389 9.001 ( -38.942 -0.757 -0.469) 38.952 9.752 ( -30.617 -0.384 8.606) 31.806 9.942 ( 2.768 -0.317 36.604) 36.710 11.452 ( 9.562 6.197 -8.307) 14.101 11.980 ( -2.135 -0.326 -5.063) 5.505 12.894 ( -12.355 -24.765 -3.437) 27.888 13.087 ( 13.049 -0.122 6.301) 14.491 13.536 ( -6.588 0.367 -5.337) 8.486 14.859 ( 9.374 7.938 -4.412) 13.052 15.894 ( 8.778 -1.014 -9.345) 12.862 ======================= Grid point 123 (44/155) ======================= q-point: (-0.30 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.851 ( -6.943 12.425 3.503) 14.658 0.902 ( -8.558 3.442 18.403) 20.586 1.395 ( -22.884 0.717 7.366) 24.051 1.941 ( 6.636 1.434 -1.355) 6.923 1.963 ( 6.026 -2.737 -1.743) 6.844 2.266 ( -2.458 1.034 -6.444) 6.974 2.563 ( -1.623 1.178 4.125) 4.587 2.619 ( 2.800 5.591 -1.915) 6.540 2.794 ( -0.217 3.146 -2.274) 3.888 2.874 ( -0.509 -1.393 4.056) 4.319 2.952 ( -2.424 3.932 -1.647) 4.904 3.118 ( 0.322 2.137 -0.777) 2.297 3.356 ( -1.222 -0.426 -3.511) 3.742 3.514 ( 3.000 -0.927 5.463) 6.301 3.621 ( 3.802 -4.056 -0.425) 5.576 4.131 ( 0.721 -5.046 -6.576) 8.320 4.645 ( 4.749 -0.433 0.577) 4.803 4.688 ( 1.430 -0.880 -3.646) 4.014 6.628 ( 12.538 0.242 36.150) 38.264 7.994 ( -16.654 -0.966 19.195) 25.431 8.361 ( -32.112 -0.430 -2.848) 32.241 9.220 ( -27.750 -0.283 12.495) 30.435 9.974 ( -1.264 -0.232 29.737) 29.765 11.333 ( -21.751 -14.695 -3.526) 26.485 12.007 ( 4.586 2.749 -4.314) 6.870 12.974 ( -1.717 -21.743 -0.784) 21.825 13.262 ( 4.050 0.216 1.019) 4.182 13.449 ( -0.081 0.337 1.440) 1.481 14.948 ( 7.558 7.653 -3.303) 11.252 16.076 ( 11.222 1.236 -10.621) 15.500 ======================= Grid point 124 (45/155) ======================= q-point: (-0.20 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.597 ( -11.536 9.983 5.554) 16.235 0.703 ( -8.777 9.542 12.068) 17.712 1.003 ( -15.062 5.554 22.709) 27.811 2.022 ( 3.583 1.080 -4.360) 5.745 2.043 ( 1.825 -0.872 -2.228) 3.009 2.247 ( 0.340 0.498 -0.932) 1.110 2.483 ( -3.818 2.372 5.369) 7.002 2.628 ( 2.859 4.902 -1.953) 6.002 2.714 ( -2.278 5.058 -0.816) 5.607 2.846 ( -4.474 4.968 -4.668) 8.154 2.969 ( 3.967 -5.954 0.598) 7.179 3.157 ( 4.318 1.571 -2.463) 5.214 3.308 ( -3.771 0.553 -4.867) 6.182 3.575 ( 2.379 -1.092 5.604) 6.185 3.752 ( 9.025 -0.835 -0.774) 9.097 4.137 ( -5.342 -4.271 -9.918) 12.048 4.711 ( 1.915 -0.777 -1.539) 2.577 4.724 ( 1.883 -0.564 -2.583) 3.246 6.877 ( 13.580 -0.520 31.428) 34.240 7.747 ( -9.386 -2.462 26.172) 27.913 7.908 ( -18.242 -0.683 -5.297) 19.008 8.818 ( -16.415 -0.102 16.292) 23.128 9.793 ( -21.716 -0.566 1.873) 21.804 11.148 ( -17.484 -37.720 35.290) 54.533 12.048 ( 1.491 0.958 -0.525) 1.848 13.126 ( 0.879 -14.416 0.509) 14.452 13.238 ( -3.589 -2.373 -5.716) 7.154 13.527 ( 5.230 -0.640 9.724) 11.060 14.997 ( 4.336 6.650 -2.675) 8.377 16.253 ( 10.969 5.668 -14.934) 19.377 ======================= Grid point 125 (46/155) ======================= q-point: (-0.10 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.353 ( -0.000 6.031 12.236) 13.642 0.475 ( -0.000 19.730 5.801) 20.565 0.839 ( -0.000 3.752 36.156) 36.350 2.048 ( -0.000 0.719 -5.661) 5.707 2.061 ( 0.000 -0.269 -2.136) 2.153 2.248 ( -0.000 1.180 2.826) 3.062 2.428 ( -0.000 0.244 3.009) 3.019 2.633 ( -0.000 4.574 -4.224) 6.226 2.677 ( -0.000 12.460 -5.891) 13.783 2.696 ( -0.000 1.178 1.707) 2.074 3.070 ( 0.000 -6.907 -0.317) 6.914 3.209 ( -0.000 1.421 -2.948) 3.273 3.234 ( -0.000 2.045 -4.758) 5.179 3.605 ( 0.000 -0.782 5.454) 5.510 3.958 ( 0.000 -0.217 -5.113) 5.117 3.989 ( 0.000 -1.003 -6.095) 6.177 4.735 ( 0.000 -1.152 -2.535) 2.785 4.746 ( 0.000 -0.150 -1.288) 1.296 7.008 ( -0.000 0.024 25.323) 25.323 7.748 ( 0.000 -0.661 -6.336) 6.370 7.775 ( 0.000 -8.347 27.230) 28.481 8.668 ( 0.000 -0.031 17.853) 17.853 9.443 ( -0.000 0.101 -5.372) 5.373 11.398 ( 0.000 -55.808 55.464) 78.682 12.054 ( 0.000 -0.094 1.322) 1.326 13.173 ( 0.000 -0.037 -5.844) 5.845 13.302 ( 0.000 -18.873 8.281) 20.610 13.603 ( 0.000 -7.497 12.737) 14.780 14.989 ( -0.000 4.873 -2.270) 5.376 16.303 ( -0.000 13.257 -21.331) 25.115 ======================= Grid point 128 (47/155) ======================= q-point: ( 0.20 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.999 ( 11.504 0.000 4.953) 12.525 1.242 ( 11.992 0.000 15.307) 19.445 1.609 ( -9.711 -0.000 5.298) 11.063 1.748 ( -10.156 -0.000 2.190) 10.390 2.198 ( 12.919 0.000 -1.127) 12.968 2.264 ( 2.221 0.000 -4.419) 4.946 2.451 ( -5.509 -0.000 -3.331) 6.438 2.661 ( 1.507 0.000 -6.535) 6.707 2.736 ( -0.776 -0.000 -1.127) 1.369 2.774 ( 4.778 0.000 -3.163) 5.731 3.043 ( 4.265 0.000 3.628) 5.600 3.202 ( 3.537 0.000 5.810) 6.802 3.344 ( -3.199 -0.000 1.881) 3.711 3.438 ( 0.278 0.000 4.058) 4.067 3.676 ( 0.881 0.000 -2.019) 2.203 4.056 ( -7.002 -0.000 -3.000) 7.617 4.470 ( -4.239 -0.000 3.999) 5.828 4.659 ( -0.964 -0.000 -2.339) 2.530 6.341 ( -3.118 -0.000 39.231) 39.355 8.470 ( 6.744 0.000 16.938) 18.231 9.771 ( 43.332 0.000 -1.380) 43.354 9.902 ( -2.085 -0.000 37.884) 37.941 10.248 ( 21.534 0.000 5.997) 22.353 10.858 ( -28.482 -0.000 -2.696) 28.610 12.035 ( 1.529 0.000 0.903) 1.776 12.830 ( -11.090 -0.000 4.049) 11.806 13.459 ( -11.154 -0.000 -9.273) 14.505 13.620 ( 4.775 0.000 -6.024) 7.687 14.700 ( 0.501 0.000 -7.618) 7.634 15.788 ( -4.447 -0.000 -8.729) 9.796 ======================= Grid point 129 (48/155) ======================= q-point: ( 0.30 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.215 ( 11.877 -1.950 3.892) 12.649 1.422 ( -5.152 -0.125 9.029) 10.396 1.469 ( 7.302 0.132 12.072) 14.109 1.558 ( -9.547 2.296 2.929) 10.246 2.204 ( -8.637 -0.322 -4.541) 9.763 2.313 ( 2.935 -0.369 -4.225) 5.158 2.479 ( 5.774 0.168 -2.437) 6.270 2.631 ( -3.674 0.295 -11.510) 12.085 2.779 ( 5.418 0.761 -3.260) 6.369 2.880 ( 5.390 -0.173 -1.447) 5.583 3.121 ( 4.079 -0.379 5.629) 6.962 3.228 ( -1.466 -1.703 1.640) 2.781 3.279 ( -3.145 0.085 4.728) 5.679 3.453 ( 0.312 0.109 7.389) 7.396 3.682 ( -0.552 0.822 -2.960) 3.122 3.942 ( -4.505 0.232 -0.803) 4.582 4.424 ( -0.574 0.074 3.832) 3.876 4.647 ( -0.240 0.178 -2.356) 2.375 6.320 ( 0.593 -0.029 39.225) 39.229 8.523 ( -0.814 0.034 16.464) 16.484 9.882 ( -0.134 0.082 36.833) 36.834 10.287 ( -31.001 -1.438 -1.457) 31.069 10.463 ( -0.564 0.157 4.391) 4.430 10.546 ( 39.681 1.386 -1.380) 39.730 12.046 ( -0.166 -0.011 2.346) 2.352 12.724 ( 0.680 -0.001 4.316) 4.369 13.173 ( -21.813 -2.970 -7.395) 23.223 13.670 ( 0.441 -0.334 -6.131) 6.156 14.754 ( 6.624 3.036 -8.689) 11.340 15.732 ( -1.454 -0.002 -9.222) 9.336 ======================= Grid point 130 (49/155) ======================= q-point: (-0.60 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.260 ( -9.168 0.236 12.025) 15.123 1.374 ( -5.769 4.651 3.584) 8.231 1.462 ( 11.564 -2.737 1.716) 12.006 1.664 ( 11.002 0.666 8.463) 13.897 2.004 ( -14.399 -1.862 -3.212) 14.870 2.383 ( 4.113 -1.066 -3.481) 5.493 2.519 ( -4.664 1.981 -11.519) 12.585 2.585 ( 3.513 -0.186 -6.157) 7.091 2.882 ( 7.185 3.851 -4.695) 9.408 2.938 ( 1.382 1.780 1.712) 2.830 3.152 ( -2.500 1.217 2.153) 3.517 3.220 ( 2.200 -1.751 4.383) 5.207 3.262 ( -1.228 -4.832 3.236) 5.943 3.421 ( -3.462 0.753 7.923) 8.679 3.622 ( -4.572 1.511 -0.982) 4.914 3.925 ( 1.604 -1.528 -1.185) 2.512 4.453 ( 3.622 -0.111 2.516) 4.411 4.647 ( 0.291 0.159 -2.660) 2.680 6.359 ( 3.906 0.187 38.650) 38.847 8.445 ( -7.882 -0.260 15.636) 17.512 9.665 ( -37.679 -1.273 0.701) 37.707 9.896 ( 1.485 -0.058 36.614) 36.644 10.238 ( -22.433 -0.156 5.973) 23.215 11.229 ( 36.661 6.146 -7.261) 37.875 12.026 ( -2.708 -0.248 0.024) 2.719 12.767 ( -28.868 -12.599 -4.830) 31.865 12.852 ( 12.206 0.203 5.918) 13.567 13.638 ( -4.212 -0.322 -6.039) 7.369 14.868 ( 9.652 5.676 -7.528) 13.492 15.752 ( 3.688 -0.608 -9.272) 9.998 ======================= Grid point 131 (50/155) ======================= q-point: (-0.50 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.099 ( -8.243 1.057 15.347) 17.453 1.228 ( -3.766 9.323 2.395) 10.336 1.705 ( 7.881 -3.367 -0.054) 8.570 1.728 ( -14.690 -3.161 -0.059) 15.027 1.838 ( 9.034 1.287 4.033) 9.977 2.390 ( -6.929 1.367 -11.253) 13.286 2.474 ( 4.395 -2.172 -2.202) 5.374 2.667 ( 5.805 2.801 -5.543) 8.501 2.895 ( -2.465 4.103 3.787) 6.103 2.951 ( 3.269 4.772 -1.314) 5.931 3.075 ( -3.343 2.351 0.675) 4.142 3.246 ( -4.428 1.242 2.444) 5.208 3.295 ( 3.267 -1.934 2.718) 4.669 3.392 ( 0.857 -6.350 2.834) 7.006 3.535 ( -3.339 0.453 1.383) 3.642 3.989 ( 2.584 -3.249 -2.911) 5.070 4.540 ( 5.489 -0.316 1.068) 5.601 4.656 ( 0.768 -0.113 -3.465) 3.551 6.459 ( 7.728 0.425 37.583) 38.372 8.253 ( -13.810 -0.598 15.801) 20.994 8.989 ( -38.215 -0.628 0.148) 38.220 9.747 ( -30.658 -0.295 8.389) 31.787 9.937 ( 2.652 -0.209 36.136) 36.234 11.571 ( -2.663 8.334 -9.353) 12.807 11.972 ( 2.006 -0.774 -6.707) 7.044 12.501 ( -11.594 -21.863 0.185) 24.748 13.094 ( 13.670 0.525 7.349) 15.529 13.538 ( -6.471 -0.038 -5.005) 8.181 14.990 ( 9.678 7.352 -5.975) 13.543 15.873 ( 8.802 -1.351 -9.490) 13.014 ======================= Grid point 132 (51/155) ======================= q-point: (-0.40 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.946 ( -7.676 2.620 17.176) 18.995 1.060 ( -6.434 11.725 2.418) 13.591 1.407 ( -16.759 0.640 4.277) 17.308 1.917 ( 7.950 -2.741 -1.983) 8.640 1.967 ( 6.603 1.587 -0.188) 6.793 2.280 ( -3.675 0.699 -7.057) 7.988 2.555 ( 1.644 -1.391 1.677) 2.729 2.724 ( 3.739 5.971 -2.435) 7.454 2.816 ( -1.883 1.051 3.371) 4.002 2.897 ( -5.058 2.789 1.146) 5.889 3.025 ( -0.101 4.630 -0.717) 4.687 3.150 ( -1.906 1.922 -1.079) 2.914 3.345 ( 0.002 -0.877 -2.164) 2.335 3.494 ( 2.836 -1.934 4.892) 5.976 3.543 ( 5.199 -4.888 -2.486) 7.557 4.051 ( 0.480 -4.395 -5.131) 6.773 4.638 ( 4.818 -0.369 -0.048) 4.832 4.677 ( 1.403 -0.446 -4.901) 5.117 6.632 ( 12.118 0.328 35.753) 37.752 7.979 ( -16.844 -0.808 18.513) 25.042 8.354 ( -32.271 -0.445 -2.352) 32.359 9.216 ( -27.611 -0.288 12.363) 30.254 9.970 ( -0.875 -0.198 29.821) 29.835 11.115 ( -38.537 -11.319 0.263) 40.165 12.047 ( 3.045 2.163 -1.067) 3.884 12.678 ( 9.256 -14.344 -7.710) 18.732 13.267 ( 3.333 0.287 0.766) 3.432 13.459 ( 0.717 0.627 3.533) 3.659 15.083 ( 7.719 8.236 -4.827) 12.277 16.071 ( 11.598 -1.342 -10.790) 15.898 ======================= Grid point 133 (52/155) ======================= q-point: (-0.30 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.716 ( -15.606 5.713 6.101) 17.703 0.858 ( -4.619 7.172 17.501) 19.469 1.147 ( -6.964 11.832 8.060) 15.921 2.026 ( 2.862 -1.112 -2.655) 4.059 2.045 ( 3.539 1.522 -3.103) 4.947 2.256 ( 0.988 0.600 -0.703) 1.353 2.510 ( -5.442 1.338 6.234) 8.382 2.716 ( 1.846 5.181 -1.031) 5.596 2.784 ( -3.651 3.519 -1.168) 5.203 2.852 ( 2.061 -4.774 0.065) 5.200 2.965 ( -0.890 5.915 -1.065) 6.076 3.171 ( 3.589 -0.111 -3.635) 5.109 3.313 ( -3.223 0.236 -4.325) 5.399 3.552 ( 2.270 -1.710 6.394) 6.997 3.728 ( 10.870 -2.132 -6.450) 12.818 4.062 ( -4.021 -4.481 -8.269) 10.228 4.701 ( 1.714 -0.370 -3.999) 4.367 4.717 ( 2.497 -0.379 -3.236) 4.105 6.870 ( 13.241 -0.246 31.509) 34.179 7.711 ( -12.262 -1.834 25.700) 28.534 7.895 ( -18.660 -0.869 -5.000) 19.338 8.816 ( -16.289 -0.133 16.242) 23.004 9.782 ( -23.325 -0.744 0.275) 23.339 10.663 ( -20.889 -21.268 45.445) 54.350 12.057 ( -0.183 0.236 1.227) 1.263 12.937 ( 7.981 -8.731 -11.954) 16.817 13.225 ( -4.490 -0.344 -6.529) 7.931 13.539 ( 5.483 1.218 11.462) 12.764 15.124 ( 4.376 8.408 -4.065) 10.313 16.281 ( 9.937 -1.019 -13.981) 17.182 ======================= Grid point 134 (53/155) ======================= q-point: (-0.20 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.466 ( -0.000 7.131 8.654) 11.214 0.750 ( -0.000 11.022 14.893) 18.528 0.969 ( -0.000 13.747 17.419) 22.190 2.055 ( 0.000 -0.467 -2.296) 2.343 2.065 ( -0.000 1.360 -4.558) 4.757 2.268 ( -0.000 1.358 4.324) 4.532 2.434 ( -0.000 0.365 2.964) 2.986 2.703 ( -0.000 4.783 -3.821) 6.122 2.723 ( -0.000 2.015 1.792) 2.697 2.862 ( -0.000 7.306 -4.757) 8.718 2.958 ( 0.000 -5.184 0.217) 5.188 3.240 ( -0.000 2.267 -2.982) 3.746 3.243 ( 0.000 -0.992 -5.610) 5.697 3.588 ( 0.000 -1.412 6.048) 6.210 3.949 ( 0.000 -3.758 -13.072) 13.601 3.953 ( 0.000 -0.363 -5.079) 5.092 4.720 ( 0.000 -0.506 -4.945) 4.970 4.743 ( 0.000 -0.210 -2.191) 2.201 7.008 ( -0.000 0.051 25.449) 25.449 7.648 ( 0.000 -6.283 33.359) 33.946 7.733 ( 0.000 -1.090 -6.168) 6.264 8.667 ( 0.000 -0.048 17.833) 17.833 9.446 ( -0.000 0.166 -5.402) 5.405 10.699 ( 0.000 -28.090 71.957) 77.246 12.052 ( 0.000 -0.152 1.340) 1.349 13.087 ( 0.000 -8.701 -10.759) 13.837 13.172 ( 0.000 -0.061 -5.842) 5.843 13.582 ( -0.000 0.945 11.327) 11.366 15.097 ( -0.000 7.921 -3.437) 8.635 16.390 ( -0.000 0.030 -17.879) 17.879 ======================= Grid point 139 (54/155) ======================= q-point: ( 0.30 0.30 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.261 ( -8.999 -0.000 11.847) 14.878 1.404 ( 2.403 0.000 3.987) 4.655 1.450 ( 4.404 0.000 1.117) 4.543 1.670 ( 11.193 0.000 8.878) 14.286 1.987 ( -14.771 -0.000 -3.441) 15.166 2.374 ( 3.787 0.000 -3.343) 5.051 2.536 ( -6.691 -0.000 -13.273) 14.864 2.584 ( 6.097 0.000 -5.088) 7.941 2.923 ( 9.390 0.000 -5.485) 10.875 2.952 ( 2.217 0.000 1.174) 2.509 3.160 ( -4.557 -0.000 -0.327) 4.569 3.196 ( 4.407 0.000 6.282) 7.674 3.222 ( -3.301 -0.000 4.645) 5.698 3.430 ( -3.476 -0.000 9.236) 9.869 3.635 ( -4.757 -0.000 -1.728) 5.061 3.912 ( 0.930 0.000 -0.993) 1.361 4.452 ( 3.534 0.000 2.462) 4.307 4.648 ( 0.214 0.000 -2.696) 2.705 6.361 ( 3.999 0.000 38.570) 38.777 8.443 ( -8.002 -0.000 15.527) 17.468 9.654 ( -37.223 -0.000 0.915) 37.235 9.895 ( 1.567 0.000 36.569) 36.603 10.237 ( -22.518 -0.000 5.955) 23.292 11.284 ( 39.414 0.000 -8.009) 40.220 12.024 ( -3.218 -0.000 -0.235) 3.227 12.657 ( -32.837 -0.000 -3.401) 33.012 12.854 ( 12.355 0.000 6.128) 13.791 13.635 ( -4.104 -0.000 -5.964) 7.239 14.918 ( 9.569 0.000 -8.210) 12.608 15.746 ( 3.399 0.000 -9.325) 9.925 ======================= Grid point 140 (55/155) ======================= q-point: (-0.60 0.30 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.111 ( -7.711 0.352 14.856) 16.742 1.346 ( -0.975 4.336 2.086) 4.909 1.665 ( 12.238 -1.349 0.008) 12.312 1.684 ( -19.230 -1.805 -1.112) 19.346 1.853 ( 9.252 0.524 4.831) 10.451 2.404 ( -7.414 0.405 -11.769) 13.916 2.449 ( 4.138 -0.839 -2.201) 4.762 2.700 ( 7.067 1.058 -7.028) 10.023 2.944 ( -2.558 1.567 5.615) 6.366 3.040 ( 0.164 5.531 -2.466) 6.058 3.106 ( 1.415 1.430 -1.768) 2.678 3.194 ( 0.880 -6.125 -0.565) 6.214 3.278 ( 3.980 -0.692 4.125) 5.773 3.337 ( -5.722 -0.341 7.511) 9.448 3.544 ( -4.500 0.373 1.140) 4.657 3.951 ( 2.202 -1.256 -2.590) 3.624 4.537 ( 5.460 -0.107 0.772) 5.516 4.655 ( 0.600 0.006 -3.718) 3.766 6.464 ( 7.751 0.158 37.367) 38.163 8.246 ( -13.876 -0.218 15.435) 20.757 8.982 ( -37.762 -0.245 0.537) 37.767 9.743 ( -30.724 -0.107 8.192) 31.798 9.935 ( 2.623 -0.071 35.939) 36.035 11.712 ( -24.895 7.495 -10.258) 27.949 11.947 ( 20.344 -2.447 -11.805) 23.648 12.223 ( -10.268 -10.199 6.641) 15.923 13.100 ( 13.742 0.209 7.856) 15.830 13.537 ( -6.319 -0.107 -4.774) 7.920 15.078 ( 9.437 2.918 -7.017) 12.116 15.856 ( 8.571 -0.564 -9.516) 12.819 ======================= Grid point 141 (56/155) ======================= q-point: (-0.50 0.30 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.979 ( -6.582 1.391 16.826) 18.121 1.223 ( -12.588 7.735 2.032) 14.914 1.411 ( -6.784 -0.308 1.650) 6.988 1.879 ( 9.440 -1.683 -2.221) 9.842 1.989 ( 6.587 1.058 0.917) 6.734 2.289 ( -4.296 0.357 -7.441) 8.600 2.529 ( 3.205 -1.462 0.578) 3.569 2.799 ( 5.228 3.278 -6.369) 8.868 2.849 ( -5.800 2.307 8.575) 10.606 2.933 ( -6.350 1.334 0.151) 6.490 3.084 ( -0.596 2.151 0.728) 2.348 3.189 ( -3.826 3.075 0.210) 4.912 3.331 ( 1.648 -0.743 -0.760) 1.961 3.428 ( 9.755 -5.108 -4.708) 11.976 3.498 ( 0.352 -1.125 3.093) 3.310 3.994 ( 0.612 -2.436 -4.237) 4.925 4.633 ( 4.894 -0.199 -0.502) 4.924 4.672 ( 1.384 -0.144 -5.929) 6.090 6.637 ( 11.865 0.226 35.440) 37.374 7.969 ( -16.898 -0.445 17.964) 24.667 8.348 ( -32.401 -0.283 -1.960) 32.462 9.212 ( -27.501 -0.178 12.243) 30.103 9.968 ( -0.606 -0.106 29.869) 29.875 10.974 ( -46.321 -5.780 2.189) 46.731 12.079 ( -0.104 1.625 2.913) 3.338 12.500 ( 18.982 -7.474 -15.141) 25.405 13.271 ( 2.541 0.152 0.378) 2.573 13.467 ( 1.547 0.254 5.221) 5.451 15.197 ( 7.449 5.171 -6.072) 10.913 16.047 ( 11.332 -1.278 -10.577) 15.554 ======================= Grid point 142 (57/155) ======================= q-point: (-0.40 0.30 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.794 ( -14.815 3.720 5.830) 16.349 0.937 ( -7.371 3.116 20.086) 21.621 1.344 ( 0.803 10.902 -0.728) 10.955 2.008 ( 3.878 -0.933 -3.067) 5.031 2.069 ( 3.475 1.341 -1.798) 4.136 2.265 ( 1.774 0.499 -0.417) 1.889 2.529 ( -4.965 0.966 6.031) 7.872 2.756 ( -1.976 -2.321 3.659) 4.762 2.798 ( -1.857 2.379 0.729) 3.105 2.859 ( 0.159 3.857 -5.296) 6.554 3.052 ( -0.906 3.819 2.738) 4.785 3.153 ( 1.221 -1.510 -4.225) 4.649 3.320 ( -2.025 0.595 -3.410) 4.011 3.521 ( 1.995 -1.947 7.248) 7.765 3.685 ( 12.128 -2.840 -11.866) 17.203 4.001 ( -2.637 -2.788 -6.341) 7.412 4.699 ( 2.105 0.061 -5.352) 5.751 4.711 ( 2.604 -0.327 -5.096) 5.733 6.868 ( 12.977 -0.033 31.402) 33.978 7.688 ( -13.611 -0.993 24.872) 28.370 7.881 ( -19.086 -0.724 -4.749) 19.681 8.814 ( -16.158 -0.109 16.186) 22.871 9.770 ( -24.701 -0.640 -1.098) 24.734 10.421 ( -16.486 -9.509 44.658) 48.544 12.059 ( -0.966 0.084 2.093) 2.307 12.825 ( 11.184 -5.217 -18.828) 22.512 13.221 ( -4.557 -0.192 -6.436) 7.888 13.556 ( 5.521 0.838 13.240) 14.369 15.253 ( 4.169 6.787 -5.388) 9.616 16.250 ( 8.885 -2.164 -12.786) 15.720 ======================= Grid point 143 (58/155) ======================= q-point: (-0.30 0.30 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.572 ( -0.000 5.565 6.433) 8.506 0.857 ( -0.000 4.040 24.210) 24.545 1.236 ( -0.000 16.215 0.298) 16.218 2.046 ( 0.000 -0.507 -2.495) 2.546 2.089 ( -0.000 1.470 -3.139) 3.467 2.293 ( -0.000 1.775 5.983) 6.241 2.440 ( -0.000 0.333 2.940) 2.959 2.758 ( -0.000 2.139 1.880) 2.847 2.767 ( -0.000 0.431 -1.180) 1.256 2.846 ( 0.000 -0.819 -2.468) 2.601 3.005 ( -0.000 5.356 1.210) 5.491 3.204 ( 0.000 -3.502 -5.864) 6.830 3.278 ( -0.000 2.231 -3.049) 3.778 3.559 ( 0.000 -2.056 6.824) 7.127 3.876 ( 0.000 -4.786 -16.068) 16.765 3.947 ( 0.000 -0.379 -5.039) 5.053 4.718 ( -0.000 0.193 -7.512) 7.514 4.739 ( 0.000 -0.279 -4.194) 4.203 7.009 ( -0.000 0.068 25.635) 25.635 7.573 ( 0.000 -3.090 33.403) 33.546 7.715 ( 0.000 -1.117 -5.981) 6.085 8.667 ( 0.000 -0.046 17.806) 17.806 9.448 ( -0.000 0.168 -5.439) 5.441 10.398 ( 0.000 -11.338 60.576) 61.628 12.050 ( 0.000 -0.152 1.363) 1.371 12.974 ( 0.000 -5.603 -19.085) 19.891 13.171 ( 0.000 -0.061 -5.840) 5.840 13.601 ( -0.000 1.090 13.161) 13.206 15.231 ( -0.000 7.858 -4.775) 9.195 16.359 ( 0.000 -2.852 -14.870) 15.141 ======================= Grid point 150 (59/155) ======================= q-point: (-0.60 0.40 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.990 ( -6.212 -0.000 16.653) 17.774 1.293 ( -22.295 -0.000 2.753) 22.464 1.403 ( 4.251 0.000 0.031) 4.251 1.865 ( 9.988 0.000 -2.348) 10.260 1.998 ( 6.586 0.000 1.388) 6.730 2.292 ( -4.496 -0.000 -7.591) 8.822 2.515 ( 3.496 0.000 0.192) 3.501 2.829 ( 6.505 0.000 -7.766) 10.131 2.869 ( -6.648 -0.000 9.255) 11.395 2.942 ( -7.882 -0.000 0.609) 7.906 3.099 ( -3.037 -0.000 1.465) 3.371 3.227 ( -5.156 -0.000 3.929) 6.483 3.323 ( 3.860 0.000 -1.146) 4.027 3.376 ( 12.738 0.000 -9.399) 15.830 3.489 ( -0.808 -0.000 4.122) 4.201 3.974 ( 0.765 0.000 -4.008) 4.081 4.632 ( 4.924 0.000 -0.664) 4.968 4.671 ( 1.372 0.000 -6.310) 6.457 6.639 ( 11.782 0.000 35.322) 37.235 7.965 ( -16.902 -0.000 17.757) 24.515 8.345 ( -32.451 -0.000 -1.812) 32.502 9.210 ( -27.460 -0.000 12.194) 30.045 9.967 ( -0.513 -0.000 29.885) 29.889 10.927 ( -48.395 -0.000 2.743) 48.473 12.094 ( -2.418 -0.000 5.543) 6.047 12.438 ( 23.408 0.000 -19.037) 30.172 13.272 ( 2.234 0.000 0.211) 2.243 13.468 ( 1.876 0.000 5.844) 6.138 15.241 ( 7.299 0.000 -6.545) 9.804 16.036 ( 11.191 0.000 -10.457) 15.316 ======================= Grid point 152 (60/155) ======================= q-point: (-0.50 0.40 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.835 ( -14.107 1.295 5.712) 15.275 0.969 ( -8.306 0.967 19.728) 21.427 1.472 ( 4.077 4.186 -3.662) 6.896 1.997 ( 4.497 -0.359 -3.395) 5.646 2.085 ( 3.380 0.534 -0.929) 3.546 2.271 ( 2.429 0.200 -0.185) 2.444 2.538 ( -3.191 0.173 4.948) 5.890 2.728 ( -5.737 -0.683 5.532) 7.999 2.831 ( -3.609 1.121 1.417) 4.036 2.915 ( 3.111 2.375 -6.971) 7.995 3.062 ( -1.254 -1.501 0.678) 2.070 3.154 ( -2.099 1.120 1.211) 2.669 3.329 ( -1.025 0.332 -3.050) 3.235 3.496 ( 1.790 -0.923 7.756) 8.013 3.647 ( 12.775 -1.412 -15.201) 19.906 3.972 ( -1.619 -0.864 -5.396) 5.700 4.701 ( 2.583 0.175 -3.986) 4.753 4.706 ( 2.422 -0.229 -8.365) 8.712 6.868 ( 12.832 0.012 31.312) 33.839 7.678 ( -14.080 -0.307 24.343) 28.123 7.873 ( -19.354 -0.282 -4.618) 19.899 8.813 ( -16.075 -0.042 16.148) 22.785 9.763 ( -25.387 -0.253 -1.810) 25.453 10.326 ( -13.488 -2.677 43.356) 45.485 12.060 ( -1.351 0.027 2.540) 2.877 12.766 ( 12.428 -1.838 -21.839) 25.194 13.219 ( -4.552 -0.068 -6.379) 7.837 13.565 ( 5.523 0.251 14.189) 15.228 15.332 ( 4.003 2.585 -6.193) 7.814 16.223 ( 8.408 -0.923 -12.112) 14.773 ======================= Grid point 153 (61/155) ======================= q-point: (-0.40 0.40 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.642 ( -0.000 2.961 5.283) 6.056 0.904 ( -0.000 1.906 24.182) 24.257 1.453 ( -0.000 9.601 -5.194) 10.915 2.039 ( 0.000 -0.334 -2.658) 2.679 2.109 ( -0.000 0.916 -1.976) 2.178 2.323 ( -0.000 1.681 7.734) 7.914 2.444 ( -0.000 0.193 2.943) 2.949 2.717 ( 0.000 -3.340 1.819) 3.803 2.788 ( -0.000 1.379 1.940) 2.380 2.904 ( -0.000 4.919 -5.828) 7.626 3.063 ( -0.000 0.680 3.196) 3.267 3.146 ( 0.000 -2.453 -3.699) 4.438 3.308 ( -0.000 1.361 -3.124) 3.407 3.526 ( 0.000 -1.723 7.434) 7.631 3.807 ( 0.000 -3.239 -17.328) 17.628 3.942 ( 0.000 -0.243 -5.006) 5.011 4.723 ( -0.000 0.380 -8.025) 8.034 4.735 ( 0.000 -0.298 -7.099) 7.105 7.011 ( -0.000 0.052 25.812) 25.812 7.539 ( 0.000 -1.212 32.332) 32.354 7.699 ( 0.000 -0.705 -5.848) 5.890 8.666 ( 0.000 -0.027 17.783) 17.783 9.451 ( -0.000 0.105 -5.468) 5.469 10.278 ( 0.000 -4.189 53.195) 53.360 12.048 ( 0.000 -0.094 1.380) 1.384 12.902 ( 0.000 -3.127 -22.707) 22.922 13.170 ( 0.000 -0.038 -5.838) 5.838 13.614 ( -0.000 0.510 14.543) 14.552 15.338 ( -0.000 4.825 -5.839) 7.575 16.317 ( 0.000 -2.028 -13.354) 13.507 ======================= Grid point 163 (62/155) ======================= q-point: ( 0.50 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 142 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.666 ( -0.000 0.000 4.926) 4.926 0.920 ( -0.000 0.000 23.850) 23.850 1.533 ( -0.000 0.000 -6.943) 6.943 2.036 ( -0.000 0.000 -2.721) 2.721 2.117 ( -0.000 0.000 -1.508) 1.508 2.339 ( -0.000 0.000 8.532) 8.532 2.446 ( -0.000 0.000 2.948) 2.948 2.689 ( -0.000 0.000 1.948) 1.948 2.800 ( -0.000 0.000 1.962) 1.962 2.962 ( 0.000 -0.000 -7.132) 7.132 3.037 ( -0.000 0.000 -0.248) 0.248 3.138 ( -0.000 0.000 2.287) 2.287 3.320 ( -0.000 0.000 -3.157) 3.157 3.510 ( -0.000 0.000 7.611) 7.611 3.779 ( -0.000 0.000 -17.761) 17.761 3.940 ( -0.000 0.000 -4.993) 4.993 4.728 ( -0.000 0.000 -1.799) 1.799 4.730 ( -0.000 0.000 -14.550) 14.550 7.011 ( -0.000 0.000 25.886) 25.886 7.530 ( -0.000 0.000 31.869) 31.869 7.693 ( -0.000 0.000 -5.802) 5.802 8.666 ( -0.000 0.000 17.774) 17.774 9.452 ( -0.000 0.000 -5.479) 5.479 10.245 ( -0.000 0.000 50.908) 50.908 12.047 ( -0.000 0.000 1.387) 1.387 12.876 ( -0.000 0.000 -23.788) 23.788 13.169 ( -0.000 0.000 -5.838) 5.838 13.618 ( -0.000 0.000 15.004) 15.004 15.379 ( -0.000 0.000 -6.243) 6.243 16.299 ( -0.000 0.000 -12.860) 12.860 ======================= Grid point 210 (63/155) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.510 ( 0.000 0.000 13.270) 13.270 0.594 ( 0.000 0.000 14.926) 14.926 1.537 ( 0.000 0.000 33.005) 33.005 1.870 ( 0.000 0.000 -10.855) 10.855 1.962 ( 0.000 0.000 -8.182) 8.182 2.277 ( 0.000 0.000 2.280) 2.280 2.540 ( 0.000 0.000 8.102) 8.102 2.547 ( 0.000 0.000 -3.522) 3.522 2.586 ( 0.000 0.000 4.687) 4.687 2.731 ( 0.000 0.000 2.701) 2.701 3.075 ( 0.000 0.000 -5.241) 5.241 3.130 ( 0.000 0.000 -3.155) 3.155 3.163 ( 0.000 0.000 0.067) 0.067 3.720 ( 0.000 0.000 5.345) 5.345 3.819 ( 0.000 0.000 -8.812) 8.812 3.985 ( 0.000 0.000 -0.584) 0.584 4.674 ( 0.000 0.000 -4.225) 4.225 4.730 ( 0.000 0.000 -1.456) 1.456 7.624 ( 0.000 0.000 32.593) 32.593 7.684 ( 0.000 0.000 0.171) 0.171 8.393 ( 0.000 0.000 32.743) 32.743 9.053 ( 0.000 0.000 19.079) 19.079 9.313 ( 0.000 0.000 -6.411) 6.411 11.673 ( 0.000 0.000 -20.588) 20.588 12.093 ( 0.000 0.000 2.532) 2.532 13.007 ( 0.000 0.000 -10.500) 10.500 13.660 ( 0.000 0.000 11.545) 11.545 14.166 ( 0.000 0.000 11.788) 11.788 14.900 ( 0.000 0.000 -3.089) 3.089 15.876 ( 0.000 0.000 -10.422) 10.422 ======================= Grid point 211 (64/155) ======================= q-point: ( 0.10 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.608 ( 7.321 -5.081 11.258) 14.358 0.813 ( 18.499 -1.677 10.782) 21.478 1.582 ( 5.628 0.774 30.488) 31.013 1.864 ( -1.026 -0.735 -9.491) 9.575 1.965 ( 0.215 0.419 -6.908) 6.924 2.248 ( -3.664 -0.790 1.783) 4.151 2.502 ( -0.854 -3.139 5.005) 5.970 2.535 ( -1.692 -0.912 -3.992) 4.431 2.696 ( 5.922 -1.009 5.042) 7.843 2.782 ( 4.699 -0.927 1.738) 5.096 3.041 ( -0.629 2.127 -0.745) 2.340 3.108 ( -5.214 -0.229 -0.539) 5.247 3.194 ( 4.426 -0.578 -4.979) 6.687 3.692 ( -2.876 0.611 4.892) 5.707 3.754 ( -4.667 0.540 -3.429) 5.817 4.032 ( 3.874 2.201 -5.586) 7.145 4.663 ( -0.765 0.862 -4.005) 4.167 4.715 ( -1.514 0.396 -0.931) 1.821 7.615 ( -2.984 0.064 38.581) 38.696 7.862 ( 19.609 0.139 0.936) 19.632 8.326 ( -0.021 0.449 29.250) 29.253 9.172 ( 13.131 0.026 17.511) 21.887 9.721 ( 36.583 0.531 -7.222) 37.293 11.598 ( -7.277 1.831 -17.282) 18.841 12.024 ( -6.836 -0.323 6.278) 9.287 13.052 ( 4.755 0.056 -10.604) 11.622 13.608 ( -5.368 1.320 11.892) 13.114 13.932 ( -14.343 15.489 13.789) 25.214 14.872 ( -3.707 -1.264 -3.326) 5.138 15.864 ( -3.832 -3.750 -12.212) 13.337 ======================= Grid point 212 (65/155) ======================= q-point: ( 0.20 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.812 ( 9.462 -6.310 8.897) 14.440 1.135 ( 14.473 -1.638 9.634) 17.464 1.728 ( 11.416 2.261 20.224) 23.333 1.848 ( -1.183 -1.022 -4.446) 4.712 1.947 ( -1.628 1.843 -3.915) 4.623 2.184 ( -2.976 -0.123 -0.873) 3.104 2.498 ( -3.400 -1.317 -5.092) 6.263 2.554 ( 1.658 -4.859 2.606) 5.757 2.736 ( -2.409 -0.261 -0.716) 2.527 2.890 ( 5.930 -1.479 1.196) 6.228 2.963 ( -6.452 0.968 0.830) 6.577 3.121 ( 6.988 -1.259 4.995) 8.681 3.272 ( 3.753 -0.275 -4.510) 5.874 3.618 ( -3.947 1.366 3.172) 5.245 3.678 ( -3.063 1.178 0.081) 3.283 4.053 ( 0.802 2.859 -6.826) 7.444 4.638 ( -1.022 1.209 -3.430) 3.777 4.671 ( -2.706 0.857 0.547) 2.890 7.509 ( -7.286 -0.095 48.245) 48.792 8.351 ( 34.030 0.027 2.601) 34.129 8.446 ( 11.780 0.571 23.066) 25.906 9.500 ( 22.951 0.165 13.655) 26.707 10.367 ( 32.434 0.501 4.655) 32.770 11.407 ( -11.724 1.514 -11.171) 16.265 11.909 ( -4.770 -0.402 7.518) 8.912 13.156 ( 6.077 0.145 -9.905) 11.621 13.431 ( -8.698 11.856 10.439) 18.033 13.574 ( -13.049 5.845 8.077) 16.422 14.790 ( -7.084 -2.505 -4.003) 8.514 15.787 ( -7.126 -1.672 -14.058) 15.849 ======================= Grid point 213 (66/155) ======================= q-point: ( 0.30 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.032 ( 9.366 -6.374 7.866) 13.792 1.353 ( 9.512 -0.983 10.972) 14.554 1.799 ( -2.948 -2.000 -0.935) 3.683 1.863 ( -5.139 4.104 0.342) 6.585 1.943 ( 11.395 5.172 9.447) 15.679 2.170 ( 1.391 -0.979 -5.096) 5.372 2.430 ( -5.182 -0.761 -6.944) 8.698 2.576 ( -3.073 0.617 0.041) 3.134 2.695 ( -1.157 -2.791 -4.260) 5.222 2.853 ( -4.714 -2.156 0.114) 5.185 3.023 ( 6.539 -1.856 2.142) 7.127 3.261 ( 4.123 -1.806 3.641) 5.789 3.348 ( 5.735 -0.368 1.767) 6.012 3.547 ( -2.502 1.252 2.347) 3.652 3.626 ( -1.160 1.483 1.076) 2.169 4.020 ( -1.788 2.481 -4.704) 5.610 4.601 ( -2.774 1.441 0.671) 3.197 4.618 ( -1.332 0.779 -0.889) 1.781 7.397 ( -5.114 -0.332 53.132) 53.379 8.657 ( 11.553 0.961 19.962) 23.084 9.026 ( 39.915 0.052 2.853) 40.016 9.951 ( 26.627 0.294 9.542) 28.287 10.773 ( 12.104 -0.197 35.468) 37.477 11.174 ( -15.144 -2.709 -11.693) 19.323 11.911 ( 5.944 1.247 1.046) 6.163 13.159 ( -6.937 6.789 2.260) 9.966 13.204 ( -4.715 9.493 -2.031) 10.792 13.405 ( -1.424 -1.576 -3.582) 4.165 14.667 ( -9.103 -3.208 -5.339) 11.030 15.654 ( -7.712 0.542 -15.216) 17.068 ======================= Grid point 214 (67/155) ======================= q-point: ( 0.40 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.251 ( 9.427 -6.360 7.329) 13.529 1.509 ( 7.690 0.238 9.929) 12.561 1.694 ( -8.402 5.448 4.645) 11.039 1.749 ( -4.893 -1.895 4.198) 6.720 2.058 ( 6.331 4.189 -0.985) 7.655 2.220 ( 0.140 -0.933 -8.678) 8.730 2.359 ( -0.470 0.311 -5.900) 5.927 2.493 ( -4.139 1.069 -4.918) 6.516 2.684 ( -2.232 -1.084 -4.312) 4.975 2.848 ( 0.413 -3.404 -0.534) 3.471 3.146 ( 5.460 -1.512 2.689) 6.272 3.291 ( -0.698 -0.592 -0.250) 0.949 3.432 ( 1.505 -1.293 5.279) 5.640 3.507 ( -0.454 3.198 1.107) 3.414 3.643 ( 3.276 -1.195 4.454) 5.657 3.962 ( -2.439 1.533 -1.443) 3.221 4.536 ( -2.619 1.170 3.751) 4.722 4.601 ( -0.394 0.414 -1.760) 1.851 7.334 ( -2.295 -0.302 55.327) 55.375 8.815 ( 6.605 0.782 18.332) 19.501 9.721 ( 37.460 1.257 -0.361) 37.483 10.373 ( 17.287 -0.228 4.867) 17.960 10.817 ( -9.498 -0.967 26.690) 28.346 10.933 ( -9.231 -3.223 23.150) 25.130 12.042 ( 6.943 0.688 0.037) 6.977 12.966 ( -12.381 -1.098 7.468) 14.501 13.050 ( 1.467 10.932 -11.587) 15.998 13.466 ( 3.788 -0.594 -10.531) 11.207 14.537 ( -7.394 -2.584 -7.217) 10.650 15.527 ( -5.154 1.028 -15.933) 16.778 ======================= Grid point 215 (68/155) ======================= q-point: (-0.50 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.464 ( 0.000 -0.000 5.095) 5.095 1.482 ( -0.000 0.000 7.663) 7.663 1.611 ( 0.000 0.000 7.031) 7.031 1.686 ( -0.000 -0.000 9.655) 9.655 2.113 ( 0.000 -0.000 -5.921) 5.921 2.186 ( 0.000 -0.000 -8.384) 8.384 2.413 ( 0.000 0.000 -9.372) 9.372 2.414 ( -0.000 -0.000 -3.912) 3.912 2.664 ( 0.000 -0.000 -3.788) 3.788 2.872 ( 0.000 -0.000 -1.444) 1.444 3.219 ( 0.000 -0.000 2.452) 2.452 3.270 ( -0.000 -0.000 1.031) 1.031 3.454 ( 0.000 -0.000 2.911) 2.911 3.478 ( 0.000 0.000 1.103) 1.103 3.693 ( 0.000 -0.000 6.192) 6.192 3.928 ( 0.000 -0.000 0.378) 0.378 4.505 ( 0.000 -0.000 4.508) 4.508 4.595 ( 0.000 -0.000 -1.670) 1.670 7.316 ( 0.000 -0.000 55.963) 55.963 8.872 ( 0.000 -0.000 17.822) 17.822 10.295 ( 0.000 0.000 -5.070) 5.070 10.298 ( -0.000 -0.000 -7.912) 7.912 10.704 ( 0.000 -0.000 16.643) 16.643 10.897 ( 0.000 -0.000 55.389) 55.389 12.101 ( 0.000 -0.000 2.460) 2.460 12.841 ( 0.000 -0.000 6.952) 6.952 13.033 ( 0.000 -0.000 -15.200) 15.200 13.505 ( 0.000 -0.000 -11.143) 11.143 14.476 ( 0.000 -0.000 -8.286) 8.286 15.474 ( 0.000 -0.000 -16.178) 16.178 ======================= Grid point 222 (69/155) ======================= q-point: ( 0.10 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.757 ( 10.606 0.000 10.207) 14.720 1.122 ( 14.975 0.000 9.994) 18.004 1.746 ( 10.844 0.000 18.914) 21.803 1.842 ( 0.260 0.000 -2.083) 2.099 1.963 ( -1.044 -0.000 -3.907) 4.044 2.183 ( -3.032 -0.000 -0.684) 3.109 2.489 ( -3.169 -0.000 -5.897) 6.694 2.509 ( 2.841 0.000 3.507) 4.513 2.734 ( -1.829 -0.000 0.117) 1.833 2.878 ( 6.029 0.000 1.455) 6.202 2.974 ( -8.203 -0.000 0.021) 8.203 3.110 ( 6.948 0.000 5.327) 8.755 3.269 ( 3.949 0.000 -4.594) 6.058 3.630 ( -4.103 -0.000 4.876) 6.372 3.685 ( -3.133 -0.000 -1.739) 3.583 4.078 ( 0.341 0.000 -6.903) 6.912 4.648 ( -1.203 -0.000 -3.423) 3.628 4.679 ( -2.669 -0.000 0.746) 2.772 7.508 ( -7.408 -0.000 48.183) 48.749 8.351 ( 34.056 0.000 2.400) 34.140 8.451 ( 11.703 0.000 23.018) 25.822 9.501 ( 23.003 0.000 13.619) 26.732 10.371 ( 31.873 0.000 5.152) 32.286 11.420 ( -13.209 -0.000 -16.261) 20.950 11.906 ( -4.130 -0.000 9.618) 10.467 13.157 ( 6.024 0.000 -9.876) 11.568 13.474 ( -9.424 -0.000 9.320) 13.255 13.688 ( -17.018 -0.000 6.024) 18.053 14.773 ( -6.744 -0.000 -3.721) 7.702 15.768 ( -5.629 -0.000 -12.316) 13.541 ======================= Grid point 223 (70/155) ======================= q-point: ( 0.20 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( 10.481 -2.408 9.059) 14.061 1.341 ( 10.241 -0.411 11.154) 15.148 1.775 ( -3.065 -0.765 -1.559) 3.522 1.911 ( -4.318 1.625 0.003) 4.614 2.014 ( 13.147 2.826 11.748) 17.856 2.153 ( -0.193 -0.917 -3.565) 3.686 2.420 ( -4.610 -0.355 -7.605) 8.900 2.573 ( 1.769 -0.545 1.056) 2.132 2.669 ( -2.952 -0.546 -4.654) 5.538 2.829 ( -6.807 -0.743 0.703) 6.883 3.001 ( 6.668 -0.706 2.395) 7.121 3.238 ( 4.814 -0.785 4.978) 6.969 3.344 ( 5.240 -0.142 0.091) 5.243 3.559 ( -3.088 0.375 4.564) 5.523 3.641 ( -1.675 0.386 -1.639) 2.375 4.051 ( -2.539 1.112 -5.457) 6.120 4.620 ( -2.922 0.776 1.594) 3.418 4.627 ( -1.482 0.187 -1.351) 2.014 7.392 ( -5.188 -0.146 53.086) 53.339 8.668 ( 11.513 0.377 19.878) 22.975 9.027 ( 40.310 0.022 2.634) 40.396 9.954 ( 26.566 0.106 9.431) 28.190 10.770 ( 12.405 -0.072 34.509) 36.671 11.145 ( -17.513 -0.844 -11.249) 20.832 11.924 ( 6.119 0.372 1.852) 6.404 13.165 ( -9.215 -0.318 3.665) 9.922 13.367 ( 0.140 2.248 -5.454) 5.900 13.405 ( -9.691 3.530 -4.497) 11.252 14.640 ( -7.953 -0.434 -5.293) 9.564 15.656 ( -6.842 -0.127 -14.203) 15.766 ======================= Grid point 224 (71/155) ======================= q-point: ( 0.30 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.166 ( 9.992 -3.780 8.003) 13.348 1.511 ( 8.612 0.022 9.970) 13.175 1.715 ( -4.359 -1.118 4.059) 6.060 1.779 ( -7.835 3.678 3.918) 9.501 2.120 ( 3.348 3.236 -1.971) 5.056 2.200 ( 0.033 -1.414 -5.657) 5.831 2.364 ( 0.672 0.328 -4.741) 4.800 2.512 ( -5.203 1.023 -6.387) 8.301 2.683 ( 0.393 1.075 -2.770) 2.997 2.786 ( 0.958 -4.046 -0.007) 4.158 3.125 ( 6.091 -1.025 3.295) 7.001 3.276 ( -0.362 -0.981 0.306) 1.090 3.416 ( 0.317 -0.493 4.678) 4.714 3.546 ( 2.129 1.260 4.515) 5.148 3.627 ( 0.865 -0.563 -0.078) 1.035 3.985 ( -3.402 1.142 -2.476) 4.360 4.555 ( -3.036 0.974 4.407) 5.440 4.608 ( -0.591 0.408 -1.847) 1.982 7.329 ( -2.195 -0.268 55.282) 55.326 8.826 ( 6.189 0.531 18.314) 19.339 9.739 ( 38.831 0.844 -0.929) 38.852 10.369 ( 15.909 -0.204 4.108) 16.432 10.807 ( -14.650 -0.309 9.738) 17.594 10.890 ( -2.308 -2.002 41.710) 41.822 12.050 ( 6.127 0.313 0.678) 6.173 12.950 ( -11.921 -0.763 7.219) 13.957 13.184 ( -7.576 5.226 -12.416) 15.455 13.455 ( 4.145 -0.560 -10.641) 11.434 14.522 ( -4.430 0.379 -7.730) 8.918 15.540 ( -5.498 0.461 -15.623) 16.569 ======================= Grid point 225 (72/155) ======================= q-point: ( 0.40 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.378 ( 9.831 -4.901 6.386) 12.706 1.571 ( -7.609 4.487 6.610) 11.032 1.608 ( -4.439 0.379 6.700) 8.046 1.693 ( 4.730 0.684 9.649) 10.768 2.103 ( -5.810 -1.031 -6.269) 8.609 2.188 ( 2.389 0.226 -8.069) 8.419 2.414 ( -4.997 0.131 -8.931) 10.235 2.420 ( 3.671 0.482 -4.079) 5.509 2.681 ( 1.728 1.880 -3.504) 4.336 2.858 ( 2.830 -1.605 -1.913) 3.775 3.216 ( 2.093 -0.253 2.812) 3.514 3.263 ( -0.848 -0.957 0.622) 1.422 3.405 ( -1.535 -2.638 3.859) 4.920 3.537 ( -0.335 3.983 0.712) 4.060 3.679 ( 1.421 -1.655 5.591) 6.001 3.931 ( -1.483 0.247 0.283) 1.530 4.510 ( -0.939 0.505 4.725) 4.844 4.598 ( -0.178 0.302 -1.652) 1.689 7.314 ( 0.225 -0.147 55.902) 55.903 8.872 ( -0.738 0.095 17.827) 17.842 10.254 ( -26.215 -2.150 -5.274) 26.826 10.345 ( 27.648 2.738 -7.814) 28.862 10.708 ( 1.671 0.360 16.023) 16.114 10.890 ( 0.189 -0.796 55.942) 55.948 12.101 ( -0.444 -0.065 2.440) 2.481 12.841 ( 1.135 0.002 6.959) 7.051 13.007 ( -11.657 -2.639 -14.003) 18.410 13.502 ( 0.328 -0.344 -11.068) 11.078 14.503 ( 4.063 2.871 -9.338) 10.580 15.474 ( -1.128 0.000 -16.169) 16.209 ======================= Grid point 226 (73/155) ======================= q-point: (-0.50 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.363 ( -8.555 6.970 6.508) 12.811 1.503 ( -6.192 -0.472 9.656) 11.480 1.601 ( 8.705 -5.415 4.780) 11.311 1.786 ( 5.459 2.389 5.295) 7.971 1.989 ( -8.656 -3.981 -1.962) 9.728 2.230 ( -0.177 0.305 -10.296) 10.302 2.353 ( 0.493 -0.399 -5.786) 5.821 2.481 ( 3.569 -0.332 -4.689) 5.902 2.716 ( 3.923 2.640 -5.425) 7.196 2.892 ( 1.199 1.905 -1.889) 2.938 3.169 ( -4.768 0.988 1.738) 5.170 3.293 ( 1.388 -0.308 0.503) 1.508 3.411 ( -1.781 -4.233 3.198) 5.596 3.497 ( -0.309 2.688 2.305) 3.555 3.658 ( -3.806 0.420 6.107) 7.208 3.937 ( 1.320 -1.407 -0.232) 1.943 4.521 ( 1.998 -0.636 3.381) 3.978 4.596 ( 0.056 -0.090 -1.784) 1.787 7.338 ( 2.451 0.139 55.263) 55.318 8.803 ( -7.160 -0.692 18.341) 19.701 9.700 ( -35.939 -1.155 0.371) 35.959 10.376 ( -18.741 0.108 5.754) 19.604 10.837 ( 4.360 1.295 41.737) 41.984 10.992 ( 17.464 3.806 5.913) 18.826 12.027 ( -8.585 -1.118 -1.071) 8.723 12.845 ( -11.551 -13.060 -8.598) 19.440 12.986 ( 13.504 1.055 7.743) 15.602 13.472 ( -3.274 0.216 -10.228) 10.742 14.603 ( 9.896 5.041 -8.465) 13.964 15.509 ( 4.413 -1.138 -16.109) 16.742 ======================= Grid point 227 (74/155) ======================= q-point: (-0.40 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.156 ( -7.710 8.409 6.098) 12.936 1.371 ( -8.297 1.068 10.818) 13.675 1.787 ( 6.311 -4.901 0.686) 8.020 1.823 ( -3.726 -1.229 2.456) 4.629 1.873 ( -3.718 -1.265 4.283) 5.811 2.183 ( -2.071 0.562 -6.821) 7.151 2.437 ( 6.155 -0.127 -5.455) 8.225 2.561 ( 4.834 -0.756 -2.014) 5.291 2.755 ( 2.654 4.253 -5.081) 7.138 2.894 ( 2.474 2.622 -1.010) 3.744 3.057 ( -6.116 2.105 1.520) 6.645 3.289 ( -2.327 1.278 0.622) 2.726 3.354 ( -6.478 0.013 4.738) 8.026 3.512 ( 1.819 -2.760 0.926) 3.433 3.602 ( -0.909 -1.051 3.888) 4.129 3.978 ( 0.880 -2.539 -3.168) 4.154 4.578 ( 2.794 -1.292 0.388) 3.102 4.604 ( 0.708 -0.841 -1.306) 1.707 7.402 ( 5.048 0.304 53.115) 53.355 8.639 ( -11.640 -1.146 20.045) 23.208 9.025 ( -39.326 -0.058 3.215) 39.458 9.945 ( -26.709 -0.391 9.722) 28.426 10.776 ( -11.664 0.276 36.950) 38.748 11.237 ( 11.311 5.101 -12.224) 17.418 11.880 ( -5.544 -2.753 -0.746) 6.235 12.862 ( -2.230 -20.690 1.741) 20.883 13.192 ( 5.798 0.614 0.287) 5.837 13.435 ( 3.602 1.925 -0.999) 4.204 14.744 ( 10.262 5.825 -6.614) 13.527 15.637 ( 8.173 -1.497 -16.006) 18.034 ======================= Grid point 228 (75/155) ======================= q-point: (-0.30 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.946 ( -7.614 9.554 6.195) 13.698 1.172 ( -12.848 2.742 8.771) 15.796 1.677 ( -10.274 -3.701 18.733) 21.684 1.879 ( 2.018 2.425 -5.181) 6.066 1.908 ( 3.172 -2.631 -3.794) 5.601 2.187 ( 2.941 0.205 -1.224) 3.192 2.526 ( 4.299 1.862 -4.547) 6.529 2.635 ( 2.485 3.546 1.547) 4.598 2.750 ( 1.915 2.495 -2.448) 3.985 2.924 ( -5.816 2.555 0.611) 6.381 2.955 ( 3.815 0.139 1.069) 3.965 3.147 ( -8.295 1.735 4.989) 9.834 3.277 ( -3.261 0.312 -4.197) 5.324 3.587 ( 3.717 -2.727 0.566) 4.644 3.641 ( 2.456 -3.168 2.757) 4.865 3.997 ( -1.703 -3.549 -6.186) 7.332 4.613 ( 0.526 -1.714 -3.564) 3.990 4.653 ( 2.785 -1.251 0.052) 3.054 7.511 ( 7.029 0.152 48.344) 48.852 8.351 ( -33.966 -0.017 3.121) 34.109 8.434 ( -11.987 -0.964 23.102) 26.045 9.496 ( -22.810 -0.276 13.755) 26.638 10.357 ( -33.851 -0.722 3.515) 34.040 11.378 ( 8.027 -1.805 1.692) 8.399 11.918 ( 6.445 0.629 2.215) 6.844 13.068 ( 2.549 -25.689 11.020) 28.069 13.155 ( -5.379 -0.735 -9.501) 10.943 13.584 ( 11.474 3.064 10.084) 15.580 14.859 ( 7.754 5.668 -5.247) 10.944 15.801 ( 8.809 -0.204 -16.308) 18.537 ======================= Grid point 229 (76/155) ======================= q-point: (-0.20 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.738 ( -6.650 8.901 8.429) 13.947 0.874 ( -15.078 6.334 8.598) 18.477 1.560 ( -4.965 -1.656 27.878) 28.365 1.889 ( 1.234 2.285 -8.947) 9.317 1.952 ( 0.478 -1.050 -6.963) 7.058 2.267 ( 5.706 1.248 3.036) 6.583 2.561 ( 1.219 2.214 -2.180) 3.338 2.592 ( -0.235 6.901 2.853) 7.472 2.728 ( -3.614 2.979 2.242) 5.192 2.812 ( -4.489 2.648 0.957) 5.299 2.986 ( -0.002 -3.910 1.474) 4.178 3.110 ( 3.441 -0.191 -2.094) 4.032 3.207 ( -3.790 0.921 -4.853) 6.226 3.674 ( 3.338 -1.459 3.225) 4.865 3.729 ( 4.785 -2.876 -1.524) 5.787 3.971 ( -4.972 -4.633 -6.629) 9.493 4.638 ( 0.484 -2.101 -4.049) 4.587 4.703 ( 1.616 -0.982 -1.288) 2.288 7.613 ( 2.937 -0.090 38.621) 38.733 7.858 ( -19.824 -0.398 1.215) 19.865 8.312 ( -0.676 -1.089 30.311) 30.338 9.171 ( -13.044 -0.069 17.563) 21.877 9.706 ( -35.998 -1.212 -6.965) 36.685 11.545 ( 6.692 -4.266 -2.345) 8.276 12.033 ( 6.118 0.750 3.197) 6.943 13.050 ( -4.626 -0.265 -10.373) 11.361 13.378 ( 4.293 -29.458 20.641) 36.225 13.740 ( 7.380 -0.453 11.606) 13.761 14.922 ( 4.105 4.871 -4.523) 7.812 15.929 ( 6.002 2.700 -16.936) 18.170 ======================= Grid point 230 (77/155) ======================= q-point: (-0.10 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.619 ( -0.000 2.846 14.014) 14.300 0.624 ( -0.000 12.410 9.395) 15.565 1.528 ( 0.000 -1.029 31.490) 31.506 1.884 ( -0.000 1.683 -10.479) 10.614 1.959 ( 0.000 -0.407 -8.215) 8.225 2.311 ( -0.000 3.523 3.243) 4.788 2.542 ( -0.000 0.268 8.154) 8.159 2.566 ( -0.000 2.558 -3.142) 4.051 2.641 ( -0.000 6.253 1.316) 6.390 2.743 ( -0.000 1.327 2.800) 3.099 3.036 ( 0.000 -4.257 -3.016) 5.217 3.142 ( -0.000 1.311 -3.266) 3.519 3.165 ( 0.000 -0.222 -1.859) 1.873 3.713 ( 0.000 -0.876 5.006) 5.082 3.817 ( 0.000 -0.185 -8.801) 8.803 3.938 ( 0.000 -5.615 -1.018) 5.706 4.659 ( 0.000 -1.752 -4.202) 4.552 4.724 ( 0.000 -0.677 -1.654) 1.787 7.622 ( 0.000 -0.225 30.882) 30.883 7.683 ( 0.000 -0.194 1.948) 1.957 8.377 ( 0.000 -1.816 34.178) 34.226 9.053 ( -0.000 0.001 19.104) 19.104 9.314 ( -0.000 0.076 -6.415) 6.415 11.642 ( 0.000 -3.499 -12.730) 13.202 12.092 ( 0.000 -0.065 2.549) 2.550 13.007 ( 0.000 -0.029 -10.493) 10.493 13.613 ( 0.000 -12.573 17.442) 21.501 13.891 ( 0.000 -20.177 16.581) 26.116 14.925 ( -0.000 3.385 -3.963) 5.212 15.949 ( -0.000 5.784 -15.773) 16.800 ======================= Grid point 233 (78/155) ======================= q-point: ( 0.20 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.134 ( 10.199 0.000 8.267) 13.128 1.511 ( 8.926 0.000 9.962) 13.376 1.706 ( -4.051 -0.000 3.717) 5.498 1.812 ( -7.641 -0.000 3.946) 8.600 2.154 ( 1.294 0.000 -5.915) 6.055 2.181 ( 0.472 0.000 -1.260) 1.346 2.368 ( 1.398 0.000 -3.559) 3.824 2.521 ( -5.786 -0.000 -7.408) 9.400 2.711 ( 5.852 0.000 -2.471) 6.353 2.732 ( -3.007 -0.000 0.556) 3.058 3.116 ( 6.342 0.000 3.497) 7.243 3.267 ( -0.397 -0.000 0.814) 0.905 3.412 ( 0.150 0.000 4.167) 4.170 3.554 ( 3.587 0.000 7.042) 7.903 3.623 ( -0.640 -0.000 -3.074) 3.139 3.995 ( -3.816 -0.000 -2.868) 4.773 4.564 ( -3.183 -0.000 4.757) 5.724 4.612 ( -0.643 -0.000 -1.939) 2.043 7.327 ( -2.163 -0.000 55.242) 55.284 8.831 ( 6.037 0.000 18.303) 19.273 9.746 ( 39.396 0.000 -1.142) 39.413 10.368 ( 15.335 0.000 3.815) 15.803 10.805 ( -17.772 -0.000 -0.890) 17.795 10.872 ( 1.382 0.000 52.930) 52.948 12.053 ( 5.876 0.000 0.888) 5.942 12.944 ( -11.651 -0.000 7.075) 13.631 13.225 ( -11.342 -0.000 -12.210) 16.665 13.450 ( 4.292 0.000 -10.641) 11.473 14.529 ( -3.274 -0.000 -8.486) 9.096 15.543 ( -5.525 -0.000 -15.435) 16.394 ======================= Grid point 234 (79/155) ======================= q-point: ( 0.30 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.321 ( 10.012 -1.845 6.522) 12.091 1.587 ( -3.447 -0.230 6.872) 7.691 1.649 ( -9.022 2.200 6.180) 11.155 1.702 ( 6.651 0.342 9.652) 11.727 2.087 ( -8.252 -0.650 -6.681) 10.637 2.191 ( 2.761 0.090 -7.755) 8.233 2.416 ( -5.540 0.090 -9.490) 10.989 2.427 ( 3.228 0.280 -3.096) 4.481 2.716 ( 2.155 1.857 -2.558) 3.826 2.827 ( 5.247 -1.682 -3.147) 6.346 3.215 ( 3.840 0.198 3.393) 5.128 3.242 ( -1.997 -1.153 0.596) 2.382 3.380 ( -2.655 -0.598 4.440) 5.208 3.595 ( 0.026 3.005 -0.186) 3.011 3.644 ( 1.994 -2.396 5.263) 6.117 3.935 ( -2.374 0.164 0.092) 2.381 4.518 ( -1.496 0.307 5.063) 5.288 4.603 ( -0.286 0.184 -1.626) 1.662 7.312 ( 0.364 -0.091 55.803) 55.804 8.874 ( -1.196 0.059 17.835) 17.875 10.229 ( -25.799 -0.780 -4.589) 26.216 10.378 ( 28.001 1.151 -8.688) 29.340 10.714 ( 3.483 0.293 14.529) 14.944 10.877 ( -0.293 -0.570 57.334) 57.338 12.100 ( -0.740 -0.041 2.408) 2.519 12.841 ( 1.874 0.008 6.995) 7.242 12.968 ( -18.270 -1.554 -12.223) 22.037 13.497 ( 0.514 -0.220 -10.942) 10.956 14.546 ( 5.844 1.711 -10.911) 12.495 15.474 ( -1.763 -0.012 -16.145) 16.241 ======================= Grid point 235 (80/155) ======================= q-point: (-0.60 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.464 ( -7.054 4.766 5.589) 10.184 1.495 ( -2.997 -0.426 8.654) 9.168 1.529 ( 6.391 -2.984 6.074) 9.308 1.820 ( 5.847 1.546 5.987) 8.510 1.933 ( -10.052 -2.724 -3.114) 10.870 2.231 ( -0.010 -0.042 -10.662) 10.662 2.347 ( -0.323 -0.295 -5.611) 5.628 2.480 ( 3.464 0.061 -5.122) 6.184 2.763 ( 4.975 2.875 -6.250) 8.490 2.909 ( 3.048 0.226 -3.571) 4.701 3.174 ( -4.585 -0.362 0.976) 4.702 3.285 ( 2.010 -0.504 1.525) 2.573 3.348 ( -2.393 -2.741 4.339) 5.663 3.552 ( -1.468 3.446 1.094) 3.902 3.652 ( -3.200 -1.187 6.643) 7.468 3.919 ( 0.205 -0.832 0.690) 1.100 4.515 ( 1.397 -0.116 3.440) 3.715 4.597 ( -0.284 0.108 -1.829) 1.854 7.339 ( 2.602 0.004 55.117) 55.179 8.794 ( -7.646 -0.385 18.343) 19.877 9.685 ( -34.815 -0.677 0.994) 34.836 10.377 ( -19.719 0.010 6.402) 20.732 10.856 ( 0.361 0.900 52.101) 52.110 11.051 ( 25.469 3.028 -6.603) 26.484 12.007 ( -11.308 -1.203 -2.447) 11.632 12.658 ( -17.914 -8.743 -4.749) 20.492 13.000 ( 13.954 0.629 7.917) 16.056 13.473 ( -2.807 -0.083 -9.868) 10.260 14.681 ( 10.834 3.877 -10.223) 15.392 15.493 ( 3.713 -0.695 -16.160) 16.595 ======================= Grid point 236 (81/155) ======================= q-point: (-0.50 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.294 ( -5.955 8.068 4.496) 10.990 1.387 ( -6.985 0.842 10.835) 12.919 1.712 ( 7.245 -3.911 0.628) 8.257 1.757 ( -10.429 -4.729 3.946) 12.112 1.902 ( 3.582 2.562 1.650) 4.702 2.189 ( -2.293 0.249 -7.830) 8.163 2.424 ( 6.220 -1.286 -3.442) 7.225 2.558 ( 5.366 0.312 -4.696) 7.138 2.830 ( 5.167 4.812 -6.969) 9.921 2.933 ( 1.238 1.938 -2.518) 3.410 3.083 ( -5.377 0.725 0.465) 5.445 3.300 ( -0.900 0.169 -0.924) 1.301 3.327 ( -3.992 -3.468 4.464) 6.920 3.490 ( -3.005 0.726 5.243) 6.087 3.590 ( -2.337 -0.688 3.459) 4.231 3.940 ( 0.275 -2.045 -1.514) 2.559 4.562 ( 2.862 -0.659 0.526) 2.984 4.593 ( -0.148 -0.560 -1.977) 2.060 7.406 ( 5.041 0.155 52.990) 53.229 8.622 ( -11.765 -0.901 20.074) 23.285 9.024 ( -38.789 -0.047 3.587) 38.954 9.939 ( -26.768 -0.338 9.894) 28.540 10.781 ( -11.322 0.266 38.327) 39.966 11.344 ( 7.562 8.046 -12.486) 16.668 11.812 ( -5.017 -5.981 -3.787) 8.677 12.551 ( -6.043 -15.980 5.337) 17.898 13.201 ( 4.183 0.384 -1.232) 4.378 13.462 ( 5.817 1.278 1.336) 6.104 14.840 ( 10.657 5.359 -8.346) 14.558 15.611 ( 8.154 -1.415 -16.220) 18.210 ======================= Grid point 237 (82/155) ======================= q-point: (-0.40 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.101 ( -8.738 8.482 4.023) 12.825 1.226 ( -8.590 4.180 7.612) 12.215 1.614 ( -8.136 -3.950 15.899) 18.292 1.857 ( 4.616 -2.855 -4.148) 6.831 1.931 ( 2.527 3.177 -3.835) 5.584 2.190 ( 3.023 0.198 -1.494) 3.378 2.545 ( 5.656 -0.112 -2.550) 6.206 2.656 ( 5.640 0.526 -2.305) 6.116 2.832 ( 0.643 6.353 -2.048) 6.706 2.962 ( 0.815 0.539 -0.073) 0.980 2.972 ( -3.101 3.192 -1.791) 4.797 3.175 ( -10.080 1.576 5.359) 11.525 3.281 ( -2.510 0.215 -3.693) 4.470 3.511 ( 2.409 -6.394 1.021) 6.908 3.599 ( 1.577 -1.656 2.545) 3.422 3.946 ( -2.106 -2.713 -4.703) 5.824 4.586 ( -0.240 -1.423 -3.845) 4.107 4.633 ( 2.903 -1.120 -0.526) 3.156 7.513 ( 6.813 0.132 48.359) 48.837 8.351 ( -33.993 0.056 3.654) 34.189 8.417 ( -12.169 -1.069 23.087) 26.119 9.491 ( -22.626 -0.288 13.887) 26.550 10.345 ( -35.520 -0.626 2.398) 35.607 11.356 ( 3.503 -0.677 18.035) 18.384 11.929 ( 9.141 0.793 -5.618) 10.758 12.660 ( -0.429 -22.598 8.501) 24.148 13.151 ( -5.989 -0.215 -10.148) 11.786 13.635 ( 11.688 2.797 11.267) 16.474 14.960 ( 8.006 6.198 -6.884) 12.244 15.785 ( 9.391 -1.398 -17.137) 19.591 ======================= Grid point 238 (83/155) ======================= q-point: (-0.30 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.849 ( -12.213 4.762 7.918) 15.315 1.031 ( -5.409 11.827 4.319) 13.703 1.532 ( -3.737 -1.740 23.852) 24.206 1.924 ( 1.748 -0.051 -7.758) 7.953 1.943 ( 1.231 1.957 -7.099) 7.466 2.286 ( 7.633 1.159 4.032) 8.710 2.598 ( 0.837 2.090 0.052) 2.252 2.695 ( -1.412 4.817 1.545) 5.252 2.791 ( -0.350 4.384 0.470) 4.423 2.857 ( -2.417 1.762 -0.277) 3.004 2.948 ( -3.771 1.252 2.009) 4.453 3.094 ( 2.004 -1.873 -3.803) 4.689 3.224 ( -3.125 1.146 -4.387) 5.506 3.640 ( 5.817 -4.929 -1.249) 7.726 3.655 ( 2.163 -3.927 2.147) 4.971 3.903 ( -5.436 -3.246 -7.248) 9.624 4.600 ( -0.002 -2.434 -4.431) 5.056 4.685 ( 1.752 -1.074 -1.801) 2.732 7.612 ( 2.957 0.015 38.727) 38.839 7.850 ( -20.291 -0.554 1.522) 20.356 8.293 ( -1.505 -1.265 31.556) 31.617 9.170 ( -12.897 -0.088 17.656) 21.865 9.685 ( -35.027 -1.224 -6.537) 35.653 11.473 ( 5.646 -4.135 19.579) 20.792 12.047 ( 4.975 1.058 -0.393) 5.102 12.877 ( 1.238 -27.425 12.677) 30.239 13.053 ( -4.643 -0.643 -10.469) 11.470 13.778 ( 6.663 3.209 12.127) 14.204 15.019 ( 4.284 6.459 -6.031) 9.820 15.943 ( 6.607 -0.628 -18.883) 20.016 ======================= Grid point 239 (84/155) ======================= q-point: (-0.20 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.678 ( -0.000 4.026 12.044) 12.699 0.863 ( -0.000 15.517 4.372) 16.121 1.509 ( 0.000 -1.091 27.738) 27.759 1.924 ( -0.000 3.077 -9.436) 9.925 1.949 ( 0.000 -0.688 -8.299) 8.328 2.372 ( -0.000 3.765 5.595) 6.744 2.548 ( -0.000 0.425 8.293) 8.304 2.627 ( -0.000 4.718 -3.348) 5.785 2.773 ( -0.000 2.233 3.048) 3.779 2.774 ( -0.000 9.248 -3.468) 9.877 2.953 ( 0.000 -5.320 -0.712) 5.367 3.147 ( 0.000 -2.101 -3.665) 4.225 3.170 ( -0.000 2.073 -3.555) 4.116 3.692 ( 0.000 -1.784 4.044) 4.420 3.813 ( 0.000 -0.313 -8.773) 8.778 3.814 ( 0.000 -9.035 -2.336) 9.332 4.622 ( 0.000 -2.661 -4.442) 5.178 4.710 ( 0.000 -1.011 -2.100) 2.331 7.618 ( 0.000 -0.175 27.209) 27.210 7.677 ( 0.000 -0.501 5.797) 5.818 8.341 ( 0.000 -2.369 37.018) 37.094 9.053 ( -0.000 0.003 19.170) 19.170 9.315 ( -0.000 0.124 -6.426) 6.427 11.570 ( 0.000 -4.960 7.587) 9.065 12.091 ( 0.000 -0.106 2.595) 2.597 13.006 ( 0.000 -0.048 -10.476) 10.476 13.145 ( 0.000 -32.962 21.382) 39.290 13.814 ( -0.000 2.404 11.918) 12.158 15.006 ( -0.000 6.100 -5.389) 8.140 16.005 ( -0.000 0.974 -19.643) 19.667 ======================= Grid point 244 (85/155) ======================= q-point: ( 0.30 0.30 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.487 ( 6.713 0.000 2.820) 7.282 1.498 ( -5.433 -0.000 10.423) 11.754 1.517 ( -3.800 -0.000 6.936) 7.909 1.833 ( 5.578 0.000 6.042) 8.224 1.909 ( -10.272 -0.000 -3.474) 10.844 2.231 ( 0.080 0.000 -10.617) 10.617 2.345 ( -0.761 -0.000 -5.622) 5.673 2.481 ( 3.453 0.000 -5.357) 6.373 2.792 ( 5.456 0.000 -6.723) 8.658 2.908 ( 3.925 0.000 -4.395) 5.893 3.167 ( -4.890 -0.000 1.099) 5.012 3.280 ( 2.370 0.000 2.021) 3.115 3.327 ( -2.985 -0.000 4.951) 5.781 3.591 ( -1.454 -0.000 -2.800) 3.155 3.631 ( -2.977 -0.000 9.840) 10.281 3.912 ( -0.322 -0.000 1.031) 1.080 4.515 ( 1.144 0.000 3.549) 3.729 4.598 ( -0.427 -0.000 -1.846) 1.895 7.339 ( 2.666 0.000 55.039) 55.104 8.790 ( -7.840 -0.000 18.344) 19.949 9.679 ( -34.406 -0.000 1.241) 34.429 10.377 ( -20.048 -0.000 6.628) 21.115 10.863 ( -1.107 -0.000 55.645) 55.656 11.078 ( 29.166 0.000 -11.163) 31.229 11.996 ( -13.160 -0.000 -3.144) 13.531 12.583 ( -19.951 -0.000 -2.827) 20.150 13.006 ( 14.115 0.000 7.953) 16.201 13.472 ( -2.619 -0.000 -9.705) 10.053 14.715 ( 10.971 0.000 -10.988) 15.527 15.487 ( 3.445 0.000 -16.162) 16.525 ======================= Grid point 245 (86/155) ======================= q-point: (-0.60 0.30 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.391 ( -6.671 1.408 9.409) 11.620 1.407 ( -3.471 3.068 5.161) 6.936 1.667 ( 7.951 -1.382 0.347) 8.077 1.690 ( -11.712 -2.874 2.880) 12.399 1.934 ( 4.158 1.135 2.311) 4.891 2.192 ( -2.329 0.063 -8.255) 8.578 2.405 ( 5.648 -0.702 -2.616) 6.264 2.564 ( 5.958 0.254 -6.144) 8.562 2.903 ( 7.756 3.408 -9.755) 12.920 2.953 ( 1.242 0.471 -4.135) 4.344 3.075 ( -5.467 -1.242 0.778) 5.660 3.274 ( -3.933 -1.902 5.700) 7.182 3.300 ( -0.085 -0.060 -1.008) 1.014 3.518 ( -7.190 1.732 8.838) 11.524 3.576 ( -1.489 -0.958 1.061) 2.064 3.915 ( -0.064 -0.852 -0.493) 0.986 4.555 ( 3.015 -0.152 0.948) 3.164 4.586 ( -0.890 -0.193 -2.594) 2.749 7.407 ( 5.065 0.037 52.861) 53.103 8.611 ( -11.863 -0.339 20.068) 23.315 9.024 ( -38.476 -0.019 3.824) 38.665 9.935 ( -26.795 -0.134 9.994) 28.598 10.784 ( -11.176 0.114 39.119) 40.684 11.497 ( 7.437 10.347 -13.409) 18.498 11.679 ( -6.798 -9.907 -5.806) 13.345 12.372 ( -7.432 -5.542 8.209) 12.383 13.205 ( 3.263 0.117 -2.140) 3.904 13.476 ( 7.032 0.398 2.607) 7.510 14.904 ( 10.643 2.135 -9.487) 14.416 15.595 ( 8.067 -0.538 -16.157) 18.067 ======================= Grid point 246 (87/155) ======================= q-point: (-0.50 0.30 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.194 ( -13.640 2.887 4.618) 14.687 1.321 ( -1.883 6.939 4.571) 8.520 1.547 ( -6.288 -4.244 14.052) 15.969 1.817 ( 6.059 -1.819 -4.070) 7.523 1.978 ( 2.538 2.271 -2.791) 4.403 2.193 ( 3.172 0.108 -1.613) 3.561 2.526 ( 6.200 -1.581 -0.853) 6.455 2.675 ( 6.598 1.441 -4.972) 8.386 2.924 ( -1.960 4.173 0.418) 4.629 2.964 ( -0.303 -0.212 -2.982) 3.005 3.033 ( 1.605 4.320 -6.168) 7.699 3.187 ( -8.608 -0.694 4.325) 9.658 3.284 ( -1.695 0.106 -3.254) 3.670 3.408 ( -2.597 -5.099 4.944) 7.562 3.580 ( 1.138 -0.706 1.403) 1.940 3.910 ( -1.960 -1.608 -3.375) 4.221 4.568 ( -1.084 -0.715 -4.044) 4.247 4.618 ( 3.079 -0.655 -0.999) 3.302 7.515 ( 6.711 0.063 48.300) 48.764 8.353 ( -34.487 0.124 3.647) 34.680 8.401 ( -11.878 -0.773 23.390) 26.245 9.487 ( -22.470 -0.183 13.996) 26.473 10.337 ( -36.830 -0.342 1.711) 36.872 11.356 ( -0.712 0.480 34.023) 34.034 11.944 ( 13.810 1.019 -17.723) 22.492 12.358 ( -2.804 -13.627 6.463) 15.341 13.148 ( -6.045 -0.138 -10.271) 11.919 13.669 ( 11.808 1.358 11.819) 16.762 15.046 ( 7.959 3.924 -8.179) 12.068 15.764 ( 9.562 -0.986 -17.029) 19.555 ======================= Grid point 247 (88/155) ======================= q-point: (-0.40 0.30 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.909 ( -13.733 2.767 6.970) 15.647 1.221 ( -1.390 10.635 3.208) 11.195 1.502 ( -2.379 -2.098 19.267) 19.526 1.907 ( 2.728 -1.107 -7.292) 7.863 1.992 ( 1.362 2.895 -6.339) 7.100 2.304 ( 9.185 0.943 4.580) 10.307 2.616 ( 1.437 -0.160 1.906) 2.392 2.750 ( 2.973 2.673 -3.071) 5.042 2.849 ( -3.290 2.072 2.619) 4.688 2.875 ( -7.460 1.878 6.784) 10.256 3.034 ( 1.842 4.297 -4.705) 6.633 3.056 ( -2.255 0.653 -5.285) 5.783 3.242 ( -2.159 1.038 -4.122) 4.768 3.506 ( 4.199 -9.421 -3.211) 10.803 3.623 ( 2.342 -1.486 1.897) 3.360 3.865 ( -4.492 -1.592 -6.632) 8.166 4.563 ( -0.603 -1.909 -5.028) 5.412 4.670 ( 1.878 -0.760 -2.278) 3.049 7.613 ( 3.130 0.096 38.935) 39.061 7.841 ( -20.931 -0.496 1.631) 21.000 8.273 ( -2.091 -1.021 32.352) 32.435 9.169 ( -12.744 -0.074 17.758) 21.858 9.668 ( -34.073 -0.827 -6.120) 34.628 11.420 ( 4.624 -2.243 40.930) 41.252 12.070 ( 3.300 1.900 -3.601) 5.241 12.494 ( 1.672 -18.957 -4.254) 19.500 13.048 ( -4.549 -0.144 -10.693) 11.621 13.823 ( 6.557 2.071 12.734) 14.472 15.118 ( 4.253 5.277 -7.353) 10.001 15.924 ( 6.638 -1.231 -18.850) 20.022 ======================= Grid point 248 (89/155) ======================= q-point: (-0.30 0.30 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.741 ( -0.000 3.495 10.164) 10.748 1.105 ( -0.000 13.611 2.254) 13.796 1.492 ( 0.000 -1.083 22.870) 22.895 1.938 ( 0.000 -0.725 -8.401) 8.432 1.978 ( -0.000 3.320 -8.087) 8.741 2.432 ( -0.000 3.508 7.022) 7.849 2.555 ( -0.000 0.415 8.464) 8.474 2.712 ( -0.000 5.373 -3.202) 6.255 2.811 ( -0.000 2.339 3.339) 4.077 2.840 ( 0.000 -3.950 0.920) 4.055 2.961 ( -0.000 9.153 -5.611) 10.736 3.096 ( 0.000 -4.093 -4.636) 6.185 3.205 ( -0.000 2.010 -3.916) 4.402 3.634 ( 0.000 -8.059 -3.491) 8.783 3.678 ( 0.000 -4.343 1.801) 4.702 3.807 ( 0.000 -0.330 -8.740) 8.747 4.577 ( 0.000 -2.624 -5.108) 5.743 4.694 ( 0.000 -0.879 -2.580) 2.726 7.617 ( -0.000 0.150 23.410) 23.411 7.666 ( 0.000 -0.823 9.822) 9.856 8.304 ( 0.000 -1.979 39.240) 39.290 9.053 ( -0.000 0.006 19.256) 19.256 9.317 ( -0.000 0.125 -6.445) 6.446 11.495 ( 0.000 -3.759 32.331) 32.549 12.089 ( 0.000 -0.107 2.651) 2.653 12.682 ( 0.000 -22.929 0.452) 22.934 13.005 ( 0.000 -0.049 -10.455) 10.455 13.862 ( -0.000 2.732 12.641) 12.933 15.110 ( -0.000 6.160 -6.744) 9.134 15.998 ( 0.000 -1.258 -20.101) 20.140 ======================= Grid point 255 (90/155) ======================= q-point: (-0.60 0.40 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.215 ( -14.168 -0.000 5.053) 15.042 1.402 ( 0.056 0.000 0.083) 0.100 1.493 ( -6.433 -0.000 16.591) 17.795 1.802 ( 6.612 0.000 -4.047) 7.752 1.998 ( 2.538 0.000 -2.301) 3.426 2.194 ( 3.251 0.000 -1.636) 3.640 2.510 ( 6.113 0.000 -0.641) 6.146 2.689 ( 7.473 0.000 -5.569) 9.319 2.955 ( -1.863 -0.000 -1.178) 2.204 2.964 ( -4.901 -0.000 -0.261) 4.908 3.091 ( 10.271 0.000 -14.526) 17.790 3.160 ( -8.645 -0.000 7.083) 11.176 3.285 ( -1.392 -0.000 -3.107) 3.404 3.366 ( -7.990 -0.000 8.533) 11.690 3.575 ( 0.973 0.000 1.074) 1.449 3.896 ( -1.815 -0.000 -2.900) 3.421 4.563 ( -1.485 -0.000 -4.088) 4.349 4.613 ( 3.186 0.000 -1.192) 3.402 7.515 ( 6.687 0.000 48.262) 48.723 8.354 ( -35.145 -0.000 3.232) 35.293 8.394 ( -11.307 -0.000 23.892) 26.433 9.486 ( -22.409 -0.000 14.038) 26.443 10.334 ( -37.325 -0.000 1.497) 37.355 11.362 ( -2.718 -0.000 41.867) 41.955 11.956 ( 18.325 0.000 -28.383) 33.785 12.240 ( -5.699 -0.000 9.587) 11.153 13.146 ( -6.056 -0.000 -10.312) 11.959 13.680 ( 11.815 0.000 11.932) 16.792 15.080 ( 7.905 0.000 -8.667) 11.730 15.756 ( 9.620 0.000 -16.850) 19.403 ======================= Grid point 257 (91/155) ======================= q-point: (-0.50 0.40 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.940 ( -13.905 0.955 6.299) 15.295 1.366 ( -0.354 6.986 4.317) 8.220 1.456 ( -1.351 -3.712 15.351) 15.851 1.894 ( 3.379 -0.439 -7.252) 8.013 2.027 ( 1.331 1.211 -5.458) 5.747 2.315 ( 10.157 0.390 4.848) 11.261 2.603 ( 2.807 -0.814 1.763) 3.413 2.797 ( 4.552 2.690 -3.471) 6.325 2.865 ( -6.239 0.009 4.033) 7.430 2.900 ( -6.237 0.592 6.074) 8.726 2.999 ( -4.411 -1.806 -3.950) 6.190 3.189 ( 2.212 9.119 -6.944) 11.673 3.255 ( -1.596 0.553 -3.714) 4.080 3.349 ( 3.085 -9.534 -4.888) 11.149 3.605 ( 2.002 -0.603 1.767) 2.737 3.848 ( -3.702 -0.529 -6.221) 7.258 4.541 ( -1.061 -0.721 -5.452) 5.600 4.661 ( 1.958 -0.268 -2.570) 3.242 7.615 ( 3.339 0.055 39.147) 39.289 7.835 ( -21.433 -0.202 1.578) 21.492 8.261 ( -2.374 -0.398 32.662) 32.750 9.168 ( -12.646 -0.029 17.825) 21.855 9.659 ( -33.503 -0.285 -5.874) 34.015 11.398 ( 4.041 -0.530 55.484) 55.633 12.116 ( -0.630 3.789 -2.302) 4.478 12.258 ( 5.492 -9.742 -21.301) 24.058 13.047 ( -4.472 -0.049 -10.678) 11.576 13.844 ( 6.464 0.600 12.803) 14.355 15.180 ( 4.191 2.016 -8.133) 9.369 15.910 ( 6.647 -0.469 -18.319) 19.493 ======================= Grid point 258 (92/155) ======================= q-point: (-0.40 0.40 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.787 ( -0.000 1.955 8.931) 9.142 1.295 ( -0.000 9.425 3.945) 10.217 1.468 ( 0.000 -2.141 16.903) 17.038 1.927 ( 0.000 -0.468 -8.481) 8.494 2.025 ( -0.000 2.214 -6.840) 7.189 2.482 ( -0.000 2.357 7.059) 7.442 2.561 ( -0.000 0.251 8.601) 8.605 2.769 ( 0.000 -1.786 3.063) 3.546 2.806 ( -0.000 4.033 -3.266) 5.190 2.844 ( -0.000 1.499 3.574) 3.876 3.017 ( 0.000 -5.184 -5.555) 7.599 3.123 ( -0.000 9.834 -4.082) 10.648 3.232 ( -0.000 1.208 -4.220) 4.390 3.474 ( 0.000 -9.888 -9.809) 13.928 3.640 ( 0.000 -1.529 3.433) 3.758 3.803 ( 0.000 -0.213 -8.716) 8.719 4.541 ( 0.000 -1.652 -5.829) 6.059 4.682 ( 0.000 -0.480 -2.946) 2.985 7.623 ( -0.000 0.575 20.010) 20.018 7.651 ( 0.000 -0.989 13.412) 13.448 8.279 ( 0.000 -1.126 40.324) 40.340 9.053 ( -0.000 0.005 19.330) 19.330 9.319 ( -0.000 0.078 -6.464) 6.465 11.452 ( 0.000 -1.517 53.736) 53.757 12.088 ( 0.000 -0.066 2.695) 2.696 12.399 ( 0.000 -11.768 -22.904) 25.750 13.005 ( 0.000 -0.031 -10.438) 10.438 13.895 ( -0.000 1.226 12.873) 12.931 15.194 ( -0.000 3.797 -7.754) 8.634 15.978 ( 0.000 -0.922 -19.410) 19.432 ======================= Grid point 268 (93/155) ======================= q-point: ( 0.50 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 142 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.803 ( -0.000 0.000 8.509) 8.509 1.411 ( -0.000 0.000 -4.321) 4.321 1.413 ( -0.000 0.000 23.745) 23.745 1.923 ( -0.000 0.000 -8.512) 8.512 2.044 ( -0.000 0.000 -6.290) 6.290 2.502 ( -0.000 0.000 6.656) 6.656 2.563 ( -0.000 0.000 8.653) 8.653 2.749 ( -0.000 0.000 4.134) 4.134 2.857 ( -0.000 0.000 3.666) 3.666 2.862 ( 0.000 -0.000 -2.378) 2.378 2.956 ( -0.000 0.000 -6.899) 6.899 3.242 ( -0.000 0.000 -4.341) 4.341 3.245 ( -0.000 0.000 6.773) 6.773 3.352 ( 0.000 -0.000 -21.537) 21.537 3.627 ( -0.000 0.000 3.393) 3.393 3.801 ( -0.000 0.000 -8.707) 8.707 4.527 ( -0.000 0.000 -6.136) 6.136 4.678 ( -0.000 0.000 -3.085) 3.085 7.636 ( -0.000 0.000 32.711) 32.711 7.636 ( 0.000 -0.000 0.784) 0.784 8.269 ( -0.000 0.000 40.608) 40.608 9.053 ( -0.000 0.000 19.359) 19.359 9.320 ( -0.000 0.000 -6.473) 6.473 11.441 ( -0.000 0.000 63.093) 63.093 12.087 ( -0.000 0.000 2.712) 2.712 12.301 ( -0.000 0.000 -33.478) 33.478 13.004 ( -0.000 0.000 -10.431) 10.431 13.904 ( -0.000 0.000 12.822) 12.822 15.226 ( -0.000 0.000 -8.130) 8.130 15.970 ( -0.000 0.000 -18.974) 18.974 ======================= Grid point 315 (94/155) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.781 ( 0.000 0.000 13.832) 13.832 0.892 ( 0.000 0.000 14.916) 14.916 1.624 ( 0.000 0.000 -13.423) 13.423 1.750 ( 0.000 0.000 -12.533) 12.533 2.102 ( 0.000 0.000 22.816) 22.816 2.320 ( 0.000 0.000 2.041) 2.041 2.490 ( 0.000 0.000 -1.724) 1.724 2.677 ( 0.000 0.000 3.448) 3.448 2.720 ( 0.000 0.000 8.884) 8.884 2.788 ( 0.000 0.000 2.771) 2.771 3.002 ( 0.000 0.000 -1.614) 1.614 3.093 ( 0.000 0.000 0.082) 0.082 3.148 ( 0.000 0.000 -1.683) 1.683 3.617 ( 0.000 0.000 -11.152) 11.152 3.818 ( 0.000 0.000 4.306) 4.306 3.969 ( 0.000 0.000 -1.122) 1.122 4.598 ( 0.000 0.000 -2.925) 2.925 4.683 ( 0.000 0.000 -3.154) 3.154 7.763 ( 0.000 0.000 7.422) 7.422 8.131 ( 0.000 0.000 14.057) 14.057 9.114 ( 0.000 0.000 38.360) 38.360 9.267 ( 0.000 0.000 4.100) 4.100 9.382 ( 0.000 0.000 12.948) 12.948 11.196 ( 0.000 0.000 -27.128) 27.128 12.162 ( 0.000 0.000 4.715) 4.715 12.768 ( 0.000 0.000 -13.013) 13.013 13.906 ( 0.000 0.000 12.883) 12.883 14.381 ( 0.000 0.000 7.241) 7.241 14.860 ( 0.000 0.000 1.227) 1.227 15.629 ( 0.000 0.000 -14.078) 14.078 ======================= Grid point 316 (95/155) ======================= q-point: ( 0.10 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.848 ( 5.680 -2.830 12.651) 14.154 1.047 ( 14.312 -0.801 12.490) 19.012 1.641 ( 1.249 -1.123 -12.352) 12.466 1.789 ( 3.743 0.423 -10.392) 11.054 2.104 ( 2.034 3.400 20.362) 20.744 2.297 ( -4.251 -2.851 3.131) 6.001 2.469 ( -2.948 -1.077 -2.011) 3.727 2.619 ( -2.740 -1.320 6.019) 6.744 2.767 ( 0.417 -0.263 1.947) 2.009 2.832 ( 4.273 -0.723 2.859) 5.192 3.044 ( 5.431 0.641 -0.566) 5.497 3.082 ( -5.843 0.453 -2.472) 6.361 3.140 ( 4.549 -0.336 1.889) 4.938 3.626 ( 0.405 0.421 -8.263) 8.284 3.785 ( -2.933 0.782 3.941) 4.975 3.953 ( -0.162 2.592 -2.769) 3.797 4.593 ( -0.209 0.769 -2.621) 2.740 4.678 ( -0.343 0.526 -2.731) 2.802 7.956 ( 21.078 0.148 8.174) 22.608 8.241 ( 10.084 0.034 19.515) 21.966 8.947 ( -7.059 -0.118 32.111) 32.878 9.472 ( 9.948 -0.001 11.576) 15.263 9.648 ( 31.233 0.145 3.411) 31.419 11.160 ( -4.626 -1.497 -25.737) 26.192 12.162 ( 0.039 0.058 7.214) 7.214 12.811 ( 4.598 0.026 -13.131) 13.912 13.857 ( -6.127 -1.125 12.789) 14.225 14.206 ( -14.435 8.931 11.581) 20.549 14.817 ( -4.268 0.208 -0.485) 4.300 15.589 ( -4.573 0.015 -15.307) 15.976 ======================= Grid point 317 (96/155) ======================= q-point: ( 0.20 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.008 ( 8.682 -3.941 10.669) 14.309 1.315 ( 13.423 -0.652 9.095) 16.227 1.683 ( 1.893 -2.044 -9.418) 9.821 1.844 ( 2.758 1.802 -6.315) 7.123 2.123 ( 3.905 5.318 12.745) 14.352 2.215 ( -5.884 -0.679 5.716) 8.232 2.401 ( -5.882 -1.356 -3.753) 7.108 2.624 ( 0.577 -3.198 3.665) 4.898 2.705 ( -6.642 0.737 -1.454) 6.839 2.924 ( -0.459 -0.052 -0.293) 0.547 2.960 ( 0.077 -0.170 1.112) 1.128 3.184 ( 6.177 -0.553 -4.118) 7.444 3.258 ( 9.096 -1.367 7.524) 11.884 3.603 ( -1.801 2.011 -3.398) 4.340 3.719 ( -3.407 0.337 3.064) 4.595 3.936 ( 0.773 2.625 -5.027) 5.723 4.582 ( 0.003 1.149 -1.766) 2.107 4.663 ( -0.572 1.094 -1.443) 1.899 8.385 ( 4.800 0.153 34.254) 34.589 8.469 ( 34.326 -0.144 9.033) 35.495 8.928 ( 4.707 0.099 26.330) 26.748 9.727 ( 18.299 0.037 8.215) 20.058 10.300 ( 40.804 0.737 -5.821) 41.223 11.063 ( -7.831 -2.726 -21.648) 23.182 12.164 ( 0.399 0.323 13.362) 13.371 12.918 ( 7.078 0.131 -13.214) 14.991 13.692 ( -13.155 3.050 13.833) 19.332 13.802 ( -19.251 8.251 14.119) 25.259 14.714 ( -7.727 -1.285 -2.523) 8.230 15.470 ( -7.930 1.119 -17.558) 19.299 ======================= Grid point 318 (97/155) ======================= q-point: ( 0.30 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.207 ( 9.485 -4.613 9.456) 14.165 1.517 ( 8.961 -0.304 6.688) 11.186 1.737 ( 1.839 -2.847 -5.224) 6.227 1.847 ( -0.086 3.348 -2.148) 3.979 2.106 ( -4.026 0.419 -0.596) 4.092 2.160 ( 3.226 7.704 9.894) 12.948 2.289 ( -7.014 -1.253 -6.623) 9.728 2.543 ( -9.722 1.471 -4.020) 10.623 2.659 ( 0.293 -1.390 1.621) 2.156 2.839 ( -3.552 -0.939 -1.656) 4.030 3.079 ( 6.839 -1.293 3.319) 7.711 3.255 ( 2.260 -0.278 -1.981) 3.018 3.438 ( 6.813 -1.653 4.254) 8.201 3.547 ( -1.826 2.589 -1.321) 3.433 3.684 ( 0.427 -0.946 4.176) 4.303 3.936 ( 0.728 0.870 -3.795) 3.960 4.576 ( 0.330 1.104 -0.616) 1.306 4.639 ( -0.921 1.486 0.416) 1.797 8.413 ( -0.225 -0.186 45.386) 45.387 9.058 ( 8.497 0.597 20.441) 22.145 9.117 ( 35.870 -0.047 5.512) 36.291 10.094 ( 21.161 -0.071 3.342) 21.424 10.901 ( 0.902 -0.671 -12.058) 12.110 11.067 ( 31.220 -1.908 -5.308) 31.726 12.171 ( 0.798 0.762 20.021) 20.052 13.042 ( 6.305 0.266 -12.323) 13.845 13.299 ( -17.790 13.243 13.910) 26.180 13.493 ( -16.830 -2.934 8.871) 19.250 14.567 ( -10.175 -2.219 -3.725) 11.060 15.306 ( -8.517 1.784 -19.370) 21.235 ======================= Grid point 319 (98/155) ======================= q-point: ( 0.40 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.416 ( 9.136 -5.429 8.916) 13.872 1.646 ( 5.378 0.332 4.721) 7.164 1.777 ( -2.217 2.474 1.465) 3.631 1.801 ( 0.905 -0.745 2.306) 2.587 2.040 ( -2.291 1.473 -2.264) 3.542 2.090 ( -5.562 2.692 -2.712) 6.748 2.233 ( 1.210 2.748 -5.701) 6.444 2.371 ( -7.647 0.506 -7.297) 10.582 2.651 ( -0.921 0.441 0.929) 1.381 2.822 ( -0.435 -1.807 -2.120) 2.819 3.196 ( 5.072 -0.630 2.340) 5.621 3.280 ( 0.323 -0.529 -0.699) 0.934 3.488 ( -0.518 -0.650 0.847) 1.187 3.503 ( -0.636 2.772 -0.803) 2.956 3.764 ( 4.758 -2.548 6.248) 8.256 3.942 ( 0.163 -0.026 -0.851) 0.867 4.576 ( 0.528 0.731 0.624) 1.097 4.609 ( -1.136 1.195 1.934) 2.541 8.406 ( -0.452 -0.214 49.369) 49.371 9.179 ( 5.138 0.591 18.034) 18.761 9.696 ( 28.627 0.610 -2.787) 28.769 10.326 ( -1.115 -1.298 -10.728) 10.864 10.919 ( 8.237 -0.857 9.533) 12.628 11.672 ( 28.245 -1.848 9.926) 29.996 12.169 ( -0.765 1.480 22.810) 22.871 12.932 ( -12.231 8.900 2.789) 15.381 13.081 ( -4.967 -0.137 -0.459) 4.990 13.269 ( -6.254 -1.778 -4.991) 8.197 14.409 ( -8.508 -1.866 -4.492) 9.801 15.161 ( -5.669 1.344 -20.393) 21.209 ======================= Grid point 320 (99/155) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.584 ( 0.000 -0.000 6.529) 6.529 1.649 ( 0.000 0.000 8.395) 8.395 1.718 ( 0.000 0.000 4.352) 4.352 1.841 ( -0.000 -0.000 6.305) 6.305 1.996 ( 0.000 0.000 -5.367) 5.367 2.020 ( 0.000 -0.000 -7.668) 7.668 2.241 ( 0.000 0.000 -8.238) 8.238 2.293 ( -0.000 -0.000 -7.942) 7.942 2.639 ( 0.000 -0.000 1.115) 1.115 2.828 ( 0.000 -0.000 -2.893) 2.893 3.252 ( 0.000 -0.000 1.123) 1.123 3.280 ( -0.000 -0.000 0.118) 0.118 3.482 ( 0.000 0.000 0.413) 0.413 3.484 ( -0.000 -0.000 -0.184) 0.184 3.825 ( 0.000 -0.000 5.858) 5.858 3.942 ( 0.000 -0.000 0.654) 0.654 4.585 ( -0.133 0.018 0.631) 0.645 4.585 ( 0.133 -0.018 3.110) 3.113 8.403 ( 0.000 -0.000 50.389) 50.389 9.223 ( 0.000 -0.000 17.288) 17.288 10.107 ( 0.000 0.000 -11.198) 11.198 10.134 ( -0.000 -0.000 -11.291) 11.291 11.052 ( 0.000 -0.000 19.198) 19.198 12.017 ( -0.000 0.000 51.369) 51.369 12.094 ( 0.000 -0.000 -5.322) 5.322 12.770 ( 0.000 -0.000 -8.033) 8.033 12.986 ( 0.000 -0.000 6.497) 6.497 13.254 ( 0.000 -0.000 -13.565) 13.565 14.333 ( 0.000 -0.000 -4.745) 4.745 15.102 ( 0.000 -0.000 -20.712) 20.712 ======================= Grid point 327 (100/155) ======================= q-point: ( 0.10 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.975 ( 9.169 0.000 11.463) 14.679 1.309 ( 13.731 0.000 9.514) 16.705 1.666 ( 1.890 0.000 -9.479) 9.666 1.859 ( 3.206 0.000 -6.480) 7.230 2.184 ( 5.090 0.000 16.937) 17.686 2.196 ( -5.404 -0.000 1.562) 5.625 2.389 ( -5.656 -0.000 -3.153) 6.475 2.594 ( 0.605 0.000 4.615) 4.655 2.710 ( -6.266 -0.000 -1.389) 6.418 2.922 ( 2.653 0.000 1.255) 2.934 2.961 ( -3.567 -0.000 -0.227) 3.574 3.179 ( 6.571 0.000 -4.133) 7.763 3.247 ( 8.373 0.000 7.362) 11.149 3.622 ( -1.213 -0.000 -4.420) 4.584 3.719 ( -4.283 -0.000 4.008) 5.866 3.960 ( -0.211 -0.000 -5.105) 5.110 4.592 ( -0.142 -0.000 -1.820) 1.826 4.672 ( -0.518 -0.000 -1.437) 1.527 8.386 ( 4.307 0.000 34.782) 35.047 8.468 ( 34.604 0.000 8.808) 35.708 8.929 ( 4.913 0.000 26.018) 26.477 9.727 ( 18.313 0.000 8.160) 20.049 10.307 ( 41.009 0.000 -6.115) 41.462 11.040 ( -7.820 -0.000 -21.574) 22.947 12.167 ( 0.499 0.000 13.118) 13.127 12.920 ( 7.109 0.000 -13.228) 15.018 13.691 ( -11.841 -0.000 11.786) 16.707 13.896 ( -22.650 -0.000 12.799) 26.016 14.708 ( -7.906 -0.000 -1.628) 8.072 15.478 ( -7.652 -0.000 -16.420) 18.115 ======================= Grid point 328 (101/155) ======================= q-point: ( 0.20 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.154 ( 9.790 -1.705 10.330) 14.334 1.513 ( 9.206 -0.134 7.293) 11.746 1.704 ( 1.924 -1.054 -5.515) 5.935 1.886 ( 0.210 1.254 -2.905) 3.171 2.112 ( -3.658 0.246 -0.267) 3.676 2.256 ( -2.464 2.408 7.053) 7.850 2.280 ( -0.349 0.986 -2.530) 2.738 2.559 ( -9.875 0.478 -3.770) 10.581 2.633 ( 2.426 -1.334 2.791) 3.931 2.827 ( -5.516 -0.396 -1.125) 5.644 3.063 ( 7.120 -0.523 3.625) 8.007 3.252 ( 2.249 -0.106 -1.861) 2.921 3.414 ( 7.781 -0.885 4.674) 9.120 3.584 ( -1.877 1.659 -2.323) 3.416 3.663 ( -1.395 -1.216 4.482) 4.849 3.951 ( -0.345 0.626 -4.705) 4.759 4.590 ( 0.116 0.478 -0.660) 0.823 4.657 ( -0.934 0.631 0.453) 1.215 8.410 ( -0.376 -0.107 45.684) 45.685 9.065 ( 8.558 0.223 20.041) 21.793 9.117 ( 36.196 -0.014 5.614) 36.628 10.094 ( 20.884 -0.024 3.060) 21.108 10.897 ( -5.718 -0.005 -12.111) 13.393 11.042 ( 37.884 -0.906 -4.300) 38.138 12.180 ( 0.945 0.256 19.055) 19.080 13.045 ( 6.348 0.094 -12.335) 13.873 13.438 ( -17.094 1.973 10.018) 19.911 13.469 ( -21.124 1.552 10.017) 23.430 14.548 ( -9.716 -0.350 -2.959) 10.162 15.327 ( -8.642 0.651 -18.528) 20.455 ======================= Grid point 329 (102/155) ======================= q-point: ( 0.30 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.343 ( 8.982 -3.228 9.484) 13.455 1.647 ( 5.680 -0.069 4.810) 7.443 1.754 ( 2.617 -1.614 -0.500) 3.115 1.850 ( -2.393 2.778 1.898) 4.128 2.056 ( -2.318 0.768 -2.682) 3.627 2.111 ( -8.586 0.152 -4.133) 9.530 2.304 ( 2.008 4.831 -1.129) 5.352 2.378 ( -8.785 0.278 -6.459) 10.908 2.667 ( 0.518 1.442 0.866) 1.760 2.780 ( -0.920 -3.135 -0.829) 3.371 3.186 ( 5.793 -0.527 2.835) 6.471 3.272 ( 0.019 -0.385 -0.418) 0.568 3.477 ( -0.613 -0.480 1.543) 1.729 3.543 ( -1.120 1.891 -2.149) 3.073 3.720 ( 4.980 -2.475 6.373) 8.459 3.942 ( -0.186 0.112 -1.933) 1.945 4.588 ( 0.242 0.658 0.365) 0.790 4.628 ( -1.476 1.061 2.227) 2.874 8.401 ( -0.454 -0.262 49.540) 49.543 9.187 ( 4.881 0.400 17.774) 18.437 9.705 ( 29.344 0.448 -3.067) 29.507 10.309 ( -1.921 -0.713 -10.684) 10.879 10.908 ( 9.529 -0.424 10.618) 14.273 11.645 ( 26.966 -1.267 10.735) 29.052 12.186 ( -0.385 0.685 20.808) 20.822 13.047 ( -18.224 4.887 1.546) 18.931 13.078 ( -6.344 -0.206 1.653) 6.559 13.243 ( -3.778 -1.257 -6.751) 7.838 14.394 ( -6.802 -0.178 -4.069) 7.929 15.180 ( -6.477 0.876 -20.079) 21.116 ======================= Grid point 330 (103/155) ======================= q-point: ( 0.40 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.519 ( 6.723 -4.521 7.505) 11.044 1.699 ( -0.674 0.804 4.665) 4.781 1.732 ( -5.684 3.670 7.001) 9.736 1.841 ( 4.143 -0.074 5.538) 6.916 1.979 ( -5.502 -1.462 -5.624) 8.003 2.028 ( 0.152 0.480 -7.267) 7.284 2.243 ( -3.843 0.182 -8.073) 8.943 2.314 ( 1.059 2.157 -6.921) 7.326 2.652 ( 0.068 1.582 0.606) 1.696 2.811 ( 1.024 -2.020 -2.768) 3.576 3.251 ( -0.513 -0.103 1.068) 1.189 3.275 ( 1.362 -0.473 0.543) 1.540 3.458 ( -1.589 -1.168 1.564) 2.517 3.514 ( -0.336 1.754 -1.749) 2.499 3.810 ( 2.028 -1.558 5.998) 6.520 3.941 ( -0.011 -0.113 0.447) 0.462 4.588 ( 0.148 0.366 0.807) 0.898 4.593 ( -1.385 0.802 3.013) 3.412 8.401 ( 0.098 -0.228 50.385) 50.386 9.224 ( -0.570 0.093 17.287) 17.296 10.097 ( -16.478 -0.799 -10.436) 19.521 10.148 ( 17.862 1.215 -12.151) 21.637 11.052 ( 0.263 -0.050 19.121) 19.122 11.995 ( 9.142 -2.109 42.728) 43.746 12.106 ( -8.699 1.060 2.960) 9.250 12.765 ( -9.200 -0.479 -7.224) 11.707 12.984 ( 0.897 -0.150 6.440) 6.504 13.252 ( 0.767 -0.231 -13.534) 13.558 14.346 ( 2.653 1.395 -5.146) 5.956 15.103 ( -1.238 0.116 -20.611) 20.648 ======================= Grid point 331 (104/155) ======================= q-point: (-0.50 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.510 ( -8.754 5.673 7.960) 13.121 1.634 ( -3.088 -1.175 4.436) 5.531 1.709 ( 1.763 -3.728 5.055) 6.524 1.846 ( -1.161 2.809 0.765) 3.135 1.986 ( 1.178 -4.835 1.687) 5.255 2.055 ( 1.807 -0.989 -6.681) 6.991 2.219 ( 2.014 0.343 -7.340) 7.619 2.362 ( 5.586 -0.577 -7.707) 9.536 2.654 ( 1.332 0.857 -0.252) 1.603 2.836 ( 0.827 -0.072 -3.504) 3.601 3.204 ( -4.299 0.180 1.837) 4.679 3.288 ( -0.407 0.378 -0.723) 0.911 3.453 ( -0.745 -2.844 1.243) 3.192 3.505 ( 0.482 1.090 -0.846) 1.461 3.795 ( -3.899 1.088 6.342) 7.524 3.941 ( -0.244 -0.104 0.215) 0.342 4.569 ( -0.929 -0.078 1.142) 1.475 4.594 ( 0.412 -0.608 1.509) 1.679 8.407 ( 0.491 -0.042 49.155) 49.158 9.169 ( -5.525 -0.519 18.344) 19.165 9.687 ( -27.854 -0.490 -2.456) 27.967 10.350 ( -0.177 1.485 -10.542) 10.648 10.936 ( -5.871 1.277 7.547) 9.647 11.701 ( -29.909 1.552 8.059) 31.015 12.138 ( 1.495 -2.332 26.471) 26.615 12.775 ( 4.860 -9.470 4.454) 11.538 13.082 ( 3.721 -0.028 -2.499) 4.482 13.296 ( 8.687 1.394 -3.533) 9.481 14.453 ( 10.346 3.253 -5.495) 12.158 15.140 ( 4.718 -1.136 -20.408) 20.977 ======================= Grid point 332 (105/155) ======================= q-point: (-0.40 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.298 ( -8.950 6.264 8.012) 13.547 1.522 ( -8.543 0.315 5.698) 10.273 1.775 ( -0.062 -2.612 -2.736) 3.783 1.799 ( -0.633 1.993 -3.064) 3.710 2.031 ( -2.750 -7.544 8.700) 11.839 2.100 ( 4.401 -0.284 -0.958) 4.513 2.312 ( 7.857 1.364 -6.528) 10.306 2.512 ( 8.989 -2.296 -4.066) 10.130 2.679 ( 2.020 1.310 -1.088) 2.642 2.851 ( 1.629 0.404 -3.082) 3.510 3.101 ( -6.275 1.283 2.837) 7.005 3.260 ( -2.282 0.338 -2.065) 3.096 3.449 ( -4.318 -1.255 2.942) 5.374 3.512 ( 1.215 -0.897 -0.813) 1.715 3.695 ( -4.092 0.563 5.400) 6.798 3.927 ( -1.640 -0.306 -2.223) 2.779 4.558 ( -0.747 -0.922 -0.503) 1.289 4.613 ( 0.724 -1.544 0.349) 1.741 8.415 ( 0.053 0.047 44.923) 44.923 9.046 ( -8.383 -0.760 21.059) 22.679 9.118 ( -35.497 0.078 5.350) 35.898 10.096 ( -21.622 0.094 3.861) 21.964 10.923 ( -8.673 2.128 -12.284) 15.187 11.098 ( -23.159 1.661 -7.483) 24.395 12.155 ( -0.442 -1.282 22.249) 22.290 13.035 ( -2.010 -4.414 -5.398) 7.257 13.044 ( 7.498 -13.076 11.011) 18.666 13.544 ( 17.180 2.919 7.941) 19.150 14.621 ( 11.034 4.156 -4.828) 12.741 15.274 ( 8.219 -1.995 -19.975) 21.692 ======================= Grid point 333 (106/155) ======================= q-point: (-0.30 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( -7.699 6.494 8.768) 13.354 1.330 ( -12.458 1.121 7.977) 14.836 1.728 ( -1.959 3.137 -9.291) 10.000 1.807 ( -1.449 -2.298 -5.869) 6.467 2.027 ( -3.223 -6.125 13.266) 14.963 2.221 ( 8.253 0.196 4.936) 9.619 2.431 ( 6.488 2.206 -4.619) 8.264 2.675 ( 3.803 0.044 2.708) 4.669 2.692 ( 4.190 1.764 -3.326) 5.633 2.914 ( 4.447 -1.260 -3.131) 5.582 2.975 ( -5.374 1.552 2.906) 6.304 3.195 ( -5.165 0.794 -3.932) 6.539 3.288 ( -10.456 2.108 7.617) 13.107 3.563 ( 2.206 -2.687 -2.333) 4.187 3.694 ( 1.756 -3.014 2.329) 4.194 3.892 ( -3.030 -2.135 -4.472) 5.809 4.558 ( -0.444 -1.691 -1.623) 2.386 4.640 ( 0.680 -1.634 -1.473) 2.302 8.382 ( -5.534 -0.195 33.304) 33.761 8.472 ( -34.095 0.129 9.223) 35.321 8.925 ( -4.224 -0.295 27.107) 27.436 9.726 ( -18.257 -0.049 8.379) 20.088 10.287 ( -40.510 -0.855 -5.098) 40.838 11.124 ( 8.113 4.613 -22.278) 24.154 12.157 ( -0.103 -0.613 14.156) 14.169 12.915 ( -6.987 -0.237 -13.181) 14.921 13.440 ( 13.747 -22.483 23.715) 35.452 13.796 ( 13.373 3.120 10.269) 17.147 14.759 ( 7.997 4.071 -3.975) 9.814 15.442 ( 8.178 -2.121 -19.403) 21.163 ======================= Grid point 334 (107/155) ======================= q-point: (-0.20 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.930 ( -4.490 6.525 10.739) 13.344 1.074 ( -13.270 2.660 11.282) 17.620 1.676 ( -0.980 2.991 -12.066) 12.470 1.777 ( -2.974 -0.918 -10.169) 10.635 2.029 ( -1.522 -5.053 17.851) 18.614 2.354 ( 6.847 3.296 5.079) 9.140 2.501 ( 3.811 2.689 -2.084) 5.108 2.663 ( 1.531 3.931 3.473) 5.464 2.772 ( 0.609 0.097 1.586) 1.702 2.853 ( -3.858 1.789 2.701) 5.038 3.029 ( -3.466 -1.044 1.020) 3.761 3.066 ( 1.283 -1.344 -2.650) 3.237 3.150 ( -4.449 0.822 1.240) 4.691 3.611 ( 0.688 -1.350 -7.237) 7.394 3.759 ( 2.097 -2.632 2.524) 4.206 3.878 ( -1.601 -5.978 -2.909) 6.838 4.569 ( -0.023 -1.981 -2.413) 3.122 4.662 ( 0.432 -1.310 -2.781) 3.104 7.952 ( -21.341 -0.355 8.262) 22.887 8.240 ( -9.933 -0.109 19.244) 21.657 8.950 ( 7.147 0.194 32.579) 33.355 9.472 ( -9.929 0.019 11.599) 15.268 9.644 ( -30.734 -0.319 4.185) 31.019 11.206 ( 4.733 4.046 -25.668) 26.413 12.160 ( 0.124 -0.163 7.383) 7.386 12.810 ( -4.525 -0.073 -13.102) 13.861 13.824 ( 8.182 -14.212 20.279) 26.080 13.991 ( 9.407 -7.240 13.674) 18.108 14.837 ( 3.997 2.987 -3.036) 5.841 15.579 ( 5.050 -1.409 -18.284) 19.021 ======================= Grid point 335 (108/155) ======================= q-point: (-0.10 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.842 ( -0.000 7.057 12.118) 14.023 0.904 ( -0.000 1.362 14.447) 14.511 1.644 ( -0.000 2.423 -13.118) 13.340 1.748 ( 0.000 -0.350 -12.448) 12.453 2.055 ( 0.000 -4.518 20.326) 20.822 2.376 ( -0.000 5.434 3.256) 6.335 2.514 ( -0.000 2.908 -1.309) 3.189 2.690 ( -0.000 1.683 2.387) 2.921 2.724 ( -0.000 0.515 9.004) 9.019 2.802 ( -0.000 1.722 3.067) 3.517 2.986 ( 0.000 -1.965 -1.098) 2.251 3.099 ( -0.000 0.743 -0.313) 0.807 3.134 ( 0.000 -1.690 -1.834) 2.494 3.616 ( 0.000 -0.179 -11.159) 11.161 3.799 ( 0.000 -2.174 3.605) 4.210 3.920 ( 0.000 -5.724 -0.943) 5.801 4.585 ( 0.000 -1.590 -2.791) 3.213 4.675 ( 0.000 -0.927 -3.190) 3.322 7.759 ( 0.000 -0.448 7.509) 7.522 8.132 ( -0.000 0.092 13.959) 13.959 9.115 ( -0.000 0.133 38.878) 38.878 9.268 ( -0.000 0.096 4.138) 4.139 9.383 ( -0.000 0.077 12.968) 12.968 11.220 ( -0.000 2.923 -26.948) 27.106 12.162 ( 0.000 -0.015 4.738) 4.738 12.768 ( 0.000 -0.004 -12.999) 12.999 13.922 ( -0.000 0.831 13.890) 13.915 14.224 ( 0.000 -18.057 14.298) 23.032 14.856 ( -0.000 0.867 -1.404) 1.650 15.632 ( 0.000 -0.239 -16.466) 16.467 ======================= Grid point 338 (109/155) ======================= q-point: ( 0.20 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.316 ( 8.895 0.000 9.689) 13.153 1.646 ( 5.542 0.000 4.738) 7.291 1.740 ( 3.195 0.000 -0.489) 3.232 1.873 ( -2.092 -0.000 0.736) 2.218 2.063 ( -2.292 -0.000 -2.047) 3.073 2.110 ( -8.925 -0.000 -4.847) 10.156 2.352 ( 1.668 0.000 0.808) 1.854 2.378 ( -9.816 -0.000 -6.232) 11.627 2.688 ( 3.834 0.000 0.065) 3.835 2.742 ( -3.482 -0.000 0.098) 3.483 3.181 ( 6.081 0.000 3.023) 6.791 3.269 ( -0.148 -0.000 -0.245) 0.286 3.473 ( -0.448 -0.000 1.768) 1.823 3.560 ( -1.549 -0.000 -2.991) 3.368 3.696 ( 5.192 0.000 6.756) 8.521 3.944 ( -0.451 -0.000 -2.389) 2.431 4.594 ( 0.140 0.000 0.318) 0.348 4.638 ( -1.549 -0.000 2.305) 2.777 8.399 ( -0.462 -0.000 49.605) 49.607 9.190 ( 4.797 0.000 17.672) 18.311 9.709 ( 29.643 0.000 -3.178) 29.812 10.303 ( -2.186 -0.000 -10.635) 10.857 10.905 ( 9.916 0.000 10.945) 14.769 11.635 ( 26.466 0.000 10.937) 28.637 12.192 ( -0.282 -0.000 20.182) 20.184 13.076 ( -6.888 -0.000 2.425) 7.302 13.088 ( -20.619 -0.000 1.332) 20.662 13.232 ( -2.637 -0.000 -7.601) 8.045 14.394 ( -6.181 -0.000 -4.055) 7.392 15.188 ( -6.775 -0.000 -19.879) 21.001 ======================= Grid point 339 (110/155) ======================= q-point: ( 0.30 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.466 ( 6.952 -1.768 7.737) 10.551 1.694 ( 0.091 -0.362 4.189) 4.206 1.794 ( -5.609 2.631 7.330) 9.598 1.836 ( 5.741 -0.486 3.784) 6.893 1.960 ( -7.755 -0.732 -5.051) 9.284 2.033 ( -0.526 0.138 -7.070) 7.091 2.245 ( -4.295 0.076 -7.943) 9.030 2.346 ( -0.838 1.246 -5.335) 5.542 2.688 ( -0.570 2.346 -0.329) 2.437 2.769 ( 2.648 -2.591 -2.525) 4.483 3.250 ( -1.672 -0.056 0.843) 1.873 3.268 ( 2.911 -0.294 1.384) 3.236 3.445 ( -2.088 -0.370 2.123) 3.000 3.535 ( -0.815 0.752 -3.082) 3.275 3.786 ( 3.237 -0.981 6.299) 7.150 3.939 ( -0.067 -0.061 0.130) 0.158 4.593 ( -0.174 0.227 0.696) 0.752 4.605 ( -1.752 0.473 3.243) 3.716 8.397 ( 0.160 -0.141 50.380) 50.380 9.225 ( -0.922 0.057 17.284) 17.309 10.087 ( -17.815 -0.307 -9.865) 20.366 10.164 ( 20.081 0.567 -12.884) 23.866 11.051 ( 0.482 -0.028 18.990) 18.996 11.966 ( 10.453 -1.085 37.474) 38.920 12.119 ( -10.021 0.428 7.658) 12.620 12.758 ( -14.538 -0.280 -5.939) 15.707 12.982 ( 1.534 -0.087 6.338) 6.522 13.249 ( 1.213 -0.148 -13.483) 13.539 14.368 ( 4.054 0.853 -5.779) 7.111 15.105 ( -1.972 0.066 -20.444) 20.539 ======================= Grid point 340 (111/155) ======================= q-point: (-0.60 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.566 ( -0.703 -0.103 4.819) 4.871 1.632 ( -5.495 2.407 6.396) 8.769 1.673 ( -2.598 -0.865 6.421) 6.980 1.865 ( -3.278 -1.473 -0.427) 3.619 1.928 ( 2.239 -0.871 2.214) 3.267 2.046 ( 1.563 -0.269 -7.176) 7.349 2.229 ( 2.909 0.688 -6.499) 7.153 2.352 ( 3.231 -0.531 -8.100) 8.737 2.677 ( 1.258 1.641 -1.838) 2.766 2.824 ( 1.609 -1.235 -4.535) 4.968 3.202 ( -3.855 -0.286 1.759) 4.247 3.292 ( -0.261 0.163 -0.481) 0.571 3.417 ( -1.799 -1.454 2.529) 3.427 3.522 ( 0.032 0.873 -2.321) 2.480 3.801 ( -2.571 -0.134 6.541) 7.029 3.938 ( -0.327 -0.200 0.822) 0.907 4.573 ( -1.222 0.501 1.662) 2.123 4.587 ( -0.448 -0.254 1.199) 1.305 8.405 ( 0.558 -0.154 48.984) 48.988 9.162 ( -5.893 -0.283 18.588) 19.502 9.681 ( -27.305 -0.253 -2.195) 27.395 10.371 ( -1.557 1.007 -10.097) 10.266 10.958 ( -2.984 1.185 5.116) 6.040 11.720 ( -31.578 0.721 5.232) 32.017 12.098 ( 2.209 -2.250 31.261) 31.419 12.647 ( -0.844 -5.664 5.729) 8.100 13.081 ( 2.925 -0.084 -3.848) 4.835 13.312 ( 10.222 0.626 -2.799) 10.617 14.503 ( 11.429 2.510 -6.507) 13.389 15.126 ( 4.077 -0.560 -20.144) 20.560 ======================= Grid point 341 (112/155) ======================= q-point: (-0.50 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.403 ( -8.291 6.212 6.340) 12.146 1.527 ( -8.181 0.198 4.638) 9.407 1.712 ( 1.775 -3.654 -0.840) 4.148 1.843 ( -0.705 0.792 -0.752) 1.299 1.932 ( -2.433 -3.347 5.337) 6.753 2.097 ( 4.603 -0.137 -1.214) 4.763 2.330 ( 8.088 0.755 -5.763) 9.960 2.474 ( 8.237 -2.135 -4.792) 9.766 2.705 ( 3.376 1.820 -3.952) 5.507 2.849 ( 0.721 -0.600 -5.042) 5.129 3.116 ( -5.621 0.472 2.581) 6.203 3.265 ( -2.305 0.262 -2.021) 3.077 3.404 ( -2.215 -3.052 2.826) 4.713 3.517 ( 0.001 0.801 -1.557) 1.751 3.704 ( -6.938 0.478 6.905) 9.800 3.923 ( -1.925 -0.289 -0.753) 2.088 4.549 ( -1.301 -0.103 -0.357) 1.353 4.591 ( 0.306 -1.179 0.330) 1.262 8.414 ( -0.028 -0.107 44.491) 44.491 9.035 ( -8.300 -0.633 21.642) 23.188 9.120 ( -35.256 0.076 5.198) 35.637 10.097 ( -22.087 0.073 4.457) 22.532 10.970 ( -18.595 3.397 -11.935) 22.355 11.116 ( -12.473 0.496 -11.952) 17.282 12.129 ( 0.150 -1.757 26.364) 26.423 12.778 ( 5.733 -13.899 20.577) 25.484 13.031 ( -6.200 -0.333 -12.402) 13.869 13.581 ( 17.277 1.583 6.574) 18.553 14.691 ( 11.685 3.945 -5.743) 13.604 15.247 ( 8.092 -1.187 -19.764) 21.390 ======================= Grid point 342 (113/155) ======================= q-point: (-0.40 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.207 ( -7.752 6.533 6.730) 12.168 1.352 ( -10.222 1.790 6.403) 12.194 1.745 ( -0.810 -1.748 -7.047) 7.305 1.808 ( -0.797 3.026 -7.185) 7.836 1.932 ( -1.739 -5.298 13.263) 14.388 2.224 ( 9.363 0.138 4.533) 10.404 2.466 ( 7.427 1.774 -4.972) 9.112 2.640 ( 7.382 -2.368 -0.117) 7.754 2.751 ( 3.440 3.861 -4.495) 6.851 2.886 ( 3.156 -2.175 -4.965) 6.272 3.002 ( -5.874 1.553 2.886) 6.726 3.208 ( -4.005 0.712 -3.606) 5.436 3.316 ( -10.060 0.870 6.806) 12.177 3.522 ( 1.181 -2.012 -0.985) 2.533 3.631 ( -1.535 -4.030 2.281) 4.878 3.870 ( -4.371 -0.760 -3.274) 5.514 4.532 ( -1.189 -1.365 -1.421) 2.301 4.613 ( 0.772 -1.524 -1.538) 2.299 8.379 ( -5.662 -0.161 32.701) 33.188 8.473 ( -34.482 0.037 8.949) 35.624 8.918 ( -3.736 -0.466 27.999) 28.251 9.725 ( -18.191 -0.036 8.618) 20.129 10.275 ( -40.532 -0.545 -4.311) 40.764 11.209 ( 9.049 5.596 -24.502) 26.712 12.144 ( 0.394 -0.904 15.859) 15.889 12.911 ( -6.838 -0.300 -13.063) 14.748 13.056 ( 7.939 -22.825 29.462) 38.106 13.842 ( 13.071 2.125 8.349) 15.654 14.836 ( 8.442 4.892 -4.841) 10.892 15.410 ( 8.321 -1.555 -20.000) 21.718 ======================= Grid point 343 (114/155) ======================= q-point: (-0.30 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.028 ( -6.764 4.454 9.854) 12.755 1.148 ( -8.052 6.776 7.910) 13.165 1.726 ( -0.470 1.988 -11.458) 11.638 1.770 ( -1.956 1.095 -9.914) 10.164 1.950 ( -0.777 -4.565 16.856) 17.480 2.398 ( 9.702 2.106 5.765) 11.480 2.551 ( 4.831 3.221 -2.705) 6.406 2.737 ( 2.048 3.536 1.163) 4.248 2.768 ( 2.257 0.715 -0.921) 2.540 2.886 ( -3.869 2.166 2.658) 5.169 3.002 ( 4.202 -2.888 -2.012) 5.482 3.056 ( -10.254 0.811 2.133) 10.505 3.164 ( -4.224 0.791 0.268) 4.306 3.581 ( 2.271 -2.495 -5.397) 6.365 3.682 ( 1.199 -6.873 0.804) 7.023 3.795 ( -4.935 -3.264 -3.343) 6.796 4.532 ( -0.477 -2.385 -2.055) 3.184 4.638 ( 0.563 -1.494 -2.900) 3.310 7.945 ( -21.780 -0.378 8.353) 23.330 8.238 ( -9.662 -0.173 18.873) 21.203 8.952 ( 7.292 -0.000 33.305) 34.093 9.472 ( -9.869 0.060 11.680) 15.291 9.639 ( -30.119 -0.337 5.191) 30.565 11.288 ( 4.993 5.929 -26.411) 27.525 12.157 ( 0.433 -0.250 7.757) 7.773 12.809 ( -4.395 -0.100 -13.053) 13.774 13.408 ( 6.477 -29.370 32.230) 44.083 14.002 ( 6.907 2.559 9.661) 12.149 14.908 ( 4.243 5.209 -4.353) 8.006 15.549 ( 5.206 -1.889 -20.408) 21.146 ======================= Grid point 344 (115/155) ======================= q-point: (-0.20 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.933 ( -0.000 2.008 13.303) 13.453 0.992 ( -0.000 10.668 8.646) 13.732 1.700 ( -0.000 4.232 -12.286) 12.995 1.740 ( 0.000 -0.603 -12.236) 12.251 1.979 ( 0.000 -4.483 18.422) 18.960 2.462 ( -0.000 4.660 1.812) 5.000 2.582 ( -0.000 5.160 0.032) 5.160 2.736 ( -0.000 4.026 -0.646) 4.077 2.736 ( -0.000 0.864 9.470) 9.509 2.841 ( -0.000 2.821 3.713) 4.663 2.941 ( 0.000 -3.278 0.198) 3.284 3.094 ( 0.000 -3.293 -2.144) 3.930 3.115 ( -0.000 1.164 -1.361) 1.791 3.612 ( 0.000 -0.310 -11.186) 11.190 3.748 ( 0.000 -4.546 1.757) 4.874 3.796 ( 0.000 -8.447 -0.269) 8.451 4.550 ( 0.000 -2.567 -2.439) 3.541 4.655 ( 0.000 -1.403 -3.304) 3.590 7.750 ( 0.000 -0.677 7.712) 7.741 8.134 ( -0.000 0.112 13.732) 13.732 9.117 ( -0.000 0.026 40.089) 40.089 9.270 ( -0.000 0.164 4.229) 4.232 9.384 ( -0.000 0.116 13.025) 13.025 11.288 ( -0.000 5.186 -26.875) 27.371 12.162 ( 0.000 -0.026 4.798) 4.798 12.768 ( 0.000 -0.008 -12.962) 12.962 13.717 ( 0.000 -28.674 28.838) 40.667 14.047 ( -0.000 0.983 10.999) 11.043 14.904 ( -0.000 4.632 -3.901) 6.056 15.613 ( 0.000 -1.883 -19.857) 19.946 ======================= Grid point 349 (116/155) ======================= q-point: ( 0.30 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.556 ( 3.247 0.000 3.997) 5.150 1.656 ( -4.691 -0.000 5.320) 7.093 1.676 ( -6.725 -0.000 8.806) 11.080 1.838 ( -4.479 -0.000 -1.453) 4.709 1.930 ( 3.213 0.000 2.344) 3.977 2.044 ( 1.546 0.000 -7.224) 7.387 2.236 ( 3.098 0.000 -5.859) 6.627 2.347 ( 2.086 0.000 -8.422) 8.676 2.694 ( 0.905 0.000 -2.566) 2.721 2.810 ( 2.230 0.000 -4.882) 5.367 3.199 ( -3.764 -0.000 1.895) 4.214 3.293 ( -0.168 -0.000 -0.329) 0.370 3.405 ( -2.174 -0.000 2.906) 3.629 3.530 ( -0.165 -0.000 -3.017) 3.022 3.798 ( -1.923 -0.000 6.701) 6.971 3.937 ( -0.398 -0.000 0.982) 1.060 4.580 ( -1.079 -0.000 2.625) 2.838 4.584 ( -1.070 -0.000 0.348) 1.125 8.404 ( 0.592 0.000 48.920) 48.923 9.160 ( -6.046 -0.000 18.681) 19.635 9.679 ( -27.111 -0.000 -2.096) 27.192 10.380 ( -2.185 -0.000 -9.831) 10.071 10.969 ( -1.534 -0.000 3.893) 4.184 11.725 ( -32.389 -0.000 3.602) 32.589 12.077 ( 2.418 0.000 33.832) 33.918 12.600 ( -2.874 -0.000 6.190) 6.824 13.080 ( 2.655 0.000 -4.318) 5.069 13.317 ( 10.715 0.000 -2.601) 11.026 14.525 ( 11.740 0.000 -6.921) 13.628 15.122 ( 3.877 0.000 -19.980) 20.353 ======================= Grid point 350 (117/155) ======================= q-point: (-0.60 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.488 ( -7.435 3.783 4.880) 9.665 1.525 ( -8.561 -0.612 3.838) 9.402 1.668 ( 2.544 -1.483 -0.362) 2.967 1.811 ( -0.350 -2.274 6.857) 7.233 1.932 ( -1.922 1.032 -1.625) 2.720 2.095 ( 4.710 -0.040 -1.291) 4.884 2.336 ( 7.591 0.092 -4.562) 8.856 2.448 ( 8.268 -0.818 -6.163) 10.344 2.733 ( 4.007 1.191 -5.898) 7.229 2.836 ( 0.439 -0.723 -6.387) 6.443 3.118 ( -5.244 -0.078 2.837) 5.963 3.268 ( -2.317 0.099 -1.927) 3.015 3.369 ( -2.536 -1.123 3.647) 4.582 3.528 ( 0.032 0.371 -2.899) 2.923 3.709 ( -7.820 0.138 7.788) 11.038 3.918 ( -1.993 -0.191 0.099) 2.004 4.553 ( -1.902 0.368 -0.365) 1.972 4.575 ( 0.116 -0.669 0.482) 0.833 8.412 ( -0.032 -0.074 44.243) 44.243 9.027 ( -8.284 -0.246 21.987) 23.497 9.121 ( -35.152 0.032 5.109) 35.521 10.098 ( -22.370 0.025 4.859) 22.892 11.022 ( -36.257 2.399 -8.323) 37.278 11.114 ( 6.143 -0.601 -19.687) 20.632 12.103 ( 0.626 -1.108 31.313) 31.339 12.618 ( 1.807 -5.137 20.899) 21.597 13.027 ( -6.168 -0.137 -12.479) 13.921 13.597 ( 17.085 0.399 5.475) 17.945 14.738 ( 11.961 1.593 -6.238) 13.584 15.235 ( 8.197 -0.317 -19.255) 20.929 ======================= Grid point 351 (118/155) ======================= q-point: (-0.50 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.288 ( -11.096 2.933 5.647) 12.791 1.394 ( -5.305 3.147 4.263) 7.498 1.714 ( 0.908 -1.524 -6.044) 6.299 1.836 ( 0.512 -1.897 6.379) 6.675 1.881 ( -1.992 0.925 -0.175) 2.203 2.226 ( 9.947 0.111 4.377) 10.868 2.481 ( 7.988 0.028 -4.059) 8.960 2.615 ( 8.601 -0.568 -1.615) 8.769 2.809 ( 5.869 2.994 -8.248) 10.556 2.848 ( 0.427 -2.059 -6.424) 6.760 3.020 ( -5.379 0.513 2.953) 6.158 3.217 ( -3.153 0.413 -3.334) 4.608 3.310 ( -6.990 -1.266 5.606) 9.049 3.510 ( -2.506 0.630 0.992) 2.768 3.574 ( -4.601 -2.869 2.569) 6.000 3.861 ( -4.773 -0.399 -2.232) 5.284 4.516 ( -2.073 -0.576 -1.202) 2.464 4.592 ( 0.887 -0.947 -1.616) 2.072 8.377 ( -5.306 -0.092 32.524) 32.954 8.473 ( -35.173 -0.010 8.472) 36.179 8.911 ( -3.429 -0.376 28.677) 28.884 9.725 ( -18.123 -0.017 8.842) 20.165 10.269 ( -40.825 -0.211 -3.760) 40.998 11.297 ( 10.672 4.699 -29.042) 31.296 12.127 ( 1.040 -1.112 19.340) 19.400 12.740 ( 2.954 -14.421 33.147) 36.268 12.908 ( -6.723 -0.193 -13.163) 14.782 13.862 ( 12.602 0.484 6.093) 14.006 14.905 ( 8.696 3.194 -5.218) 10.633 15.394 ( 8.657 -0.406 -19.345) 21.198 ======================= Grid point 352 (119/155) ======================= q-point: (-0.40 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( -9.587 1.788 9.505) 13.618 1.276 ( -2.876 7.871 4.415) 9.472 1.727 ( -0.258 -0.714 -10.311) 10.339 1.821 ( -0.740 3.659 -10.249) 10.908 1.882 ( -0.080 -3.635 16.755) 17.145 2.425 ( 11.669 1.325 6.119) 13.243 2.597 ( 5.924 1.980 -3.085) 6.967 2.732 ( 4.018 -0.599 0.911) 4.163 2.843 ( 2.319 5.015 -5.530) 7.817 2.920 ( -3.045 1.709 0.974) 3.625 2.939 ( 3.835 -3.949 -2.878) 6.211 3.086 ( -13.057 2.270 5.413) 14.316 3.172 ( -3.590 0.255 -1.245) 3.808 3.513 ( 0.920 -6.264 1.209) 6.446 3.584 ( 0.633 -3.551 -4.291) 5.606 3.762 ( -6.449 -1.250 -3.848) 7.613 4.497 ( -1.078 -1.846 -1.615) 2.679 4.616 ( 0.699 -1.128 -3.063) 3.338 7.940 ( -22.235 -0.259 8.388) 23.766 8.235 ( -9.362 -0.170 18.578) 20.804 8.950 ( 7.421 -0.205 34.029) 34.830 9.474 ( -9.763 0.082 11.822) 15.333 9.634 ( -29.712 -0.272 5.913) 30.296 11.395 ( 5.589 6.868 -29.714) 31.005 12.152 ( 0.895 -0.356 8.582) 8.636 12.807 ( -4.240 -0.109 -12.924) 13.602 12.955 ( 2.872 -24.344 39.306) 46.324 14.029 ( 6.561 0.684 6.920) 9.561 14.991 ( 4.431 4.518 -4.684) 7.873 15.528 ( 5.368 -0.582 -20.344) 21.048 ======================= Grid point 353 (120/155) ======================= q-point: (-0.30 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.965 ( -0.000 1.801 12.029) 12.163 1.170 ( -0.000 10.629 5.417) 11.930 1.729 ( 0.000 -0.649 -11.991) 12.009 1.776 ( -0.000 4.724 -11.224) 12.178 1.911 ( 0.000 -3.786 17.519) 17.924 2.525 ( -0.000 3.092 0.117) 3.094 2.668 ( -0.000 4.962 -0.091) 4.963 2.751 ( -0.000 0.852 10.142) 10.178 2.819 ( -0.000 5.663 -4.087) 6.983 2.888 ( 0.000 -2.630 1.070) 2.839 2.889 ( -0.000 2.953 4.507) 5.388 3.029 ( 0.000 -4.513 -2.174) 5.009 3.134 ( -0.000 1.072 -2.732) 2.934 3.606 ( 0.000 -0.338 -11.236) 11.241 3.611 ( 0.000 -10.416 0.851) 10.450 3.706 ( 0.000 -3.563 -0.084) 3.564 4.506 ( 0.000 -2.572 -1.931) 3.216 4.633 ( 0.000 -1.287 -3.489) 3.718 7.739 ( 0.000 -0.622 7.921) 7.945 8.135 ( -0.000 0.071 13.502) 13.502 9.115 ( 0.000 -0.261 41.362) 41.363 9.273 ( -0.000 0.175 4.322) 4.326 9.386 ( -0.000 0.106 13.107) 13.108 11.387 ( -0.000 6.930 -28.426) 29.259 12.162 ( 0.000 -0.027 4.872) 4.872 12.768 ( 0.000 -0.009 -12.917) 12.917 13.213 ( 0.000 -30.136 38.332) 48.759 14.080 ( -0.000 1.517 8.344) 8.481 14.990 ( -0.000 5.295 -4.539) 6.974 15.584 ( 0.000 -1.227 -21.010) 21.046 ======================= Grid point 360 (121/155) ======================= q-point: (-0.60 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.309 ( -12.705 -0.000 5.410) 13.809 1.427 ( -3.173 -0.000 2.922) 4.313 1.701 ( 1.515 0.000 -5.851) 6.044 1.809 ( 0.874 0.000 12.618) 12.648 1.898 ( -1.860 -0.000 -5.798) 6.089 2.227 ( 10.155 0.000 4.348) 11.046 2.478 ( 7.910 0.000 -3.241) 8.549 2.613 ( 9.859 0.000 -2.667) 10.214 2.827 ( -0.816 -0.000 -7.180) 7.226 2.838 ( 6.786 0.000 -10.237) 12.282 3.022 ( -5.201 -0.000 3.438) 6.235 3.221 ( -2.850 -0.000 -3.233) 4.310 3.296 ( -5.907 -0.000 5.594) 8.135 3.531 ( 0.319 0.000 -4.062) 4.074 3.537 ( -10.176 -0.000 8.320) 13.144 3.858 ( -4.845 -0.000 -1.812) 5.172 4.512 ( -2.523 -0.000 -1.092) 2.750 4.584 ( 0.980 0.000 -1.657) 1.925 8.376 ( -5.079 -0.000 32.513) 32.907 8.473 ( -35.509 -0.000 8.246) 36.454 8.908 ( -3.334 -0.000 28.929) 29.120 9.725 ( -18.093 -0.000 8.935) 20.179 10.267 ( -41.001 -0.000 -3.569) 41.156 11.340 ( 11.735 0.000 -32.379) 34.440 12.116 ( 1.377 0.000 22.430) 22.472 12.618 ( 0.709 0.000 34.082) 34.089 12.906 ( -6.683 -0.000 -13.189) 14.786 13.865 ( 12.320 0.000 5.051) 13.315 14.932 ( 8.770 0.000 -5.320) 10.257 15.392 ( 8.867 0.000 -18.856) 20.837 ======================= Grid point 362 (122/155) ======================= q-point: (-0.50 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.093 ( -10.058 0.543 8.995) 13.505 1.376 ( -1.208 3.586 2.262) 4.408 1.717 ( 0.159 -0.332 -10.047) 10.054 1.832 ( 0.648 -1.644 14.429) 14.536 1.871 ( -0.623 1.554 -7.089) 7.284 2.441 ( 12.732 0.511 6.309) 14.218 2.608 ( 6.820 -0.202 -1.620) 7.013 2.755 ( 5.052 3.129 -1.309) 6.085 2.837 ( 1.751 -4.384 -5.714) 7.412 2.935 ( -0.157 1.853 -0.438) 1.911 2.948 ( 1.692 1.569 -6.256) 6.668 3.113 ( -13.756 0.739 8.057) 15.959 3.174 ( -2.361 0.072 -3.735) 4.419 3.421 ( -3.273 -3.543 5.695) 7.463 3.552 ( 1.897 -0.825 -6.086) 6.428 3.749 ( -7.107 -0.406 -4.093) 8.211 4.476 ( -1.556 -0.673 -1.277) 2.122 4.603 ( 0.799 -0.418 -3.183) 3.308 7.937 ( -22.524 -0.088 8.384) 24.034 8.233 ( -9.162 -0.072 18.431) 20.583 8.947 ( 7.485 -0.129 34.492) 35.295 9.475 ( -9.670 0.040 11.945) 15.369 9.630 ( -29.558 -0.110 6.221) 30.206 11.492 ( 6.497 3.862 -35.929) 36.715 12.146 ( 1.476 -0.328 10.361) 10.471 12.661 ( 0.133 -10.040 45.434) 46.530 12.806 ( -4.176 -0.044 -13.013) 13.667 14.031 ( 6.236 -0.172 4.598) 7.750 15.044 ( 4.510 1.755 -4.713) 6.755 15.526 ( 5.585 0.097 -19.420) 20.207 ======================= Grid point 363 (123/155) ======================= q-point: (-0.40 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.988 ( -0.000 1.025 11.089) 11.136 1.321 ( -0.000 7.156 2.944) 7.738 1.720 ( 0.000 -0.424 -11.805) 11.812 1.843 ( -0.000 2.823 -10.382) 10.758 1.858 ( 0.000 -2.276 17.524) 17.671 2.563 ( -0.000 1.477 -0.490) 1.557 2.741 ( -0.000 4.143 -2.759) 4.977 2.762 ( -0.000 0.512 10.691) 10.704 2.847 ( 0.000 -0.846 3.875) 3.967 2.900 ( 0.000 -0.677 -6.807) 6.841 2.931 ( -0.000 1.935 5.316) 5.657 2.975 ( -0.000 1.025 -4.498) 4.613 3.148 ( -0.000 0.579 -3.998) 4.039 3.452 ( 0.000 -8.317 3.203) 8.913 3.601 ( 0.000 -0.223 -11.292) 11.294 3.660 ( 0.000 -2.069 -1.236) 2.410 4.471 ( 0.000 -1.585 -1.406) 2.118 4.616 ( 0.000 -0.745 -3.665) 3.740 7.731 ( 0.000 -0.359 8.061) 8.069 8.136 ( -0.000 0.025 13.353) 13.353 9.110 ( 0.000 -0.327 42.255) 42.256 9.275 ( -0.000 0.113 4.383) 4.384 9.388 ( -0.000 0.060 13.184) 13.184 11.504 ( -0.000 6.715 -33.762) 34.423 12.161 ( 0.000 -0.017 4.931) 4.931 12.768 ( 0.000 -0.006 -12.881) 12.881 12.790 ( 0.000 -20.045 46.694) 50.814 14.088 ( 0.000 -0.193 5.352) 5.355 15.063 ( -0.000 3.363 -4.567) 5.671 15.576 ( -0.000 0.065 -20.207) 20.207 ======================= Grid point 373 (124/155) ======================= q-point: ( 0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 142 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.997 ( -0.000 0.000 10.747) 10.747 1.383 ( -0.000 0.000 1.749) 1.749 1.716 ( -0.000 0.000 -11.736) 11.736 1.831 ( -0.000 0.000 16.229) 16.229 1.873 ( -0.000 0.000 -8.375) 8.375 2.574 ( -0.000 0.000 -0.488) 0.488 2.766 ( -0.000 0.000 10.897) 10.897 2.795 ( 0.000 -0.000 -7.205) 7.205 2.843 ( 0.000 -0.000 4.315) 4.315 2.851 ( -0.000 0.000 -0.237) 0.237 2.947 ( -0.000 0.000 5.708) 5.708 3.013 ( -0.000 0.000 -11.045) 11.045 3.153 ( -0.000 0.000 -4.557) 4.557 3.374 ( 0.000 -0.000 5.903) 5.903 3.599 ( -0.000 0.000 -11.317) 11.317 3.642 ( -0.000 0.000 -1.636) 1.636 4.458 ( -0.000 0.000 -1.167) 1.167 4.609 ( -0.000 0.000 -3.738) 3.738 7.728 ( -0.000 0.000 8.109) 8.109 8.136 ( -0.000 0.000 13.303) 13.303 9.107 ( -0.000 0.000 42.570) 42.570 9.276 ( -0.000 0.000 4.402) 4.402 9.388 ( -0.000 0.000 13.216) 13.216 11.569 ( -0.000 0.000 -39.092) 39.092 12.161 ( -0.000 0.000 4.954) 4.954 12.614 ( -0.000 0.000 52.700) 52.700 12.768 ( -0.000 0.000 -12.868) 12.868 14.085 ( -0.000 0.000 3.951) 3.951 15.092 ( -0.000 0.000 -4.528) 4.528 15.578 ( -0.000 0.000 -19.566) 19.566 ======================= Grid point 420 (125/155) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.061 ( 0.000 0.000 14.243) 14.243 1.189 ( 0.000 0.000 14.794) 14.794 1.346 ( 0.000 0.000 -14.261) 14.261 1.480 ( 0.000 0.000 -14.293) 14.293 2.357 ( 0.000 0.000 1.655) 1.655 2.369 ( 0.000 0.000 2.387) 2.387 2.545 ( 0.000 0.000 8.697) 8.697 2.683 ( 0.000 0.000 -3.456) 3.456 2.835 ( 0.000 0.000 1.723) 1.723 2.839 ( 0.000 0.000 2.218) 2.218 3.021 ( 0.000 0.000 3.146) 3.146 3.095 ( 0.000 0.000 -3.563) 3.563 3.173 ( 0.000 0.000 8.312) 8.312 3.385 ( 0.000 0.000 -11.801) 11.801 3.891 ( 0.000 0.000 3.007) 3.007 3.939 ( 0.000 0.000 -1.904) 1.904 4.573 ( 0.000 0.000 0.531) 0.531 4.615 ( 0.000 0.000 -3.270) 3.270 7.958 ( 0.000 0.000 11.245) 11.245 8.163 ( 0.000 0.000 -7.453) 7.453 9.444 ( 0.000 0.000 9.642) 9.642 9.534 ( 0.000 0.000 1.644) 1.644 9.881 ( 0.000 0.000 37.737) 37.737 10.593 ( 0.000 0.000 -33.211) 33.211 12.294 ( 0.000 0.000 8.727) 8.727 12.509 ( 0.000 0.000 -12.429) 12.429 14.161 ( 0.000 0.000 12.274) 12.274 14.369 ( 0.000 0.000 -7.420) 7.420 15.021 ( 0.000 0.000 13.645) 13.645 15.327 ( 0.000 0.000 -15.879) 15.879 ======================= Grid point 421 (126/155) ======================= q-point: ( 0.10 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.108 ( 4.239 -1.783 13.339) 14.110 1.297 ( 9.769 -0.385 10.634) 14.445 1.387 ( 4.231 -1.188 -11.102) 11.940 1.561 ( 7.775 0.178 -12.222) 14.486 2.314 ( -2.915 2.389 3.341) 5.036 2.355 ( -2.839 -1.016 -0.412) 3.043 2.537 ( -1.982 -1.364 8.874) 9.194 2.666 ( -1.966 -0.458 -2.767) 3.425 2.830 ( -2.875 -0.158 4.955) 5.731 2.880 ( 3.824 -0.597 1.089) 4.021 3.005 ( 2.068 0.016 -1.980) 2.863 3.016 ( -5.925 0.713 -3.366) 6.851 3.262 ( 7.406 -0.186 8.474) 11.256 3.444 ( 4.964 -0.015 -9.454) 10.678 3.853 ( -3.028 1.719 2.905) 4.534 3.905 ( -2.309 2.353 -2.365) 4.057 4.572 ( 0.311 0.617 0.717) 0.996 4.615 ( 0.327 0.530 -3.138) 3.199 8.161 ( 21.812 0.129 11.404) 24.613 8.352 ( 19.384 0.137 -5.395) 20.122 9.461 ( 1.656 -0.107 15.710) 15.798 9.600 ( 7.301 -0.037 0.511) 7.319 9.968 ( 10.153 -0.480 28.019) 29.805 10.589 ( -0.794 -1.054 -31.103) 31.131 12.325 ( 3.320 0.003 9.537) 10.098 12.548 ( 4.286 0.006 -12.656) 13.362 14.105 ( -6.823 -0.897 11.562) 13.455 14.282 ( -9.157 1.777 -4.501) 10.357 14.944 ( -6.544 2.926 13.283) 15.094 15.263 ( -5.921 2.130 -17.014) 18.140 ======================= Grid point 422 (127/155) ======================= q-point: ( 0.20 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.232 ( 7.284 -2.634 11.551) 13.907 1.449 ( 6.463 -1.595 -6.699) 9.444 1.526 ( 9.048 -0.270 4.918) 10.302 1.696 ( 6.883 1.169 -8.444) 10.956 2.224 ( -5.182 1.381 2.994) 6.142 2.284 ( -5.257 0.032 -2.706) 5.913 2.474 ( -5.058 2.070 9.258) 10.751 2.612 ( -5.210 0.506 -4.390) 6.832 2.755 ( -3.718 -0.120 5.164) 6.364 2.858 ( -4.955 0.904 -4.791) 6.951 3.024 ( 6.250 -0.891 3.900) 7.420 3.103 ( 6.483 -0.728 -3.967) 7.635 3.401 ( 7.017 -1.041 6.514) 9.631 3.516 ( 2.436 0.306 -5.097) 5.657 3.780 ( -2.623 1.615 3.132) 4.393 3.849 ( -0.764 2.293 -3.812) 4.513 4.576 ( 0.918 1.018 1.180) 1.809 4.619 ( 0.806 1.015 -2.635) 2.936 8.661 ( 31.747 0.221 9.099) 33.026 8.746 ( 21.929 0.420 3.474) 22.206 9.496 ( 1.874 -0.295 25.788) 25.857 9.787 ( 12.979 -0.075 -3.686) 13.493 10.283 ( 25.475 -0.299 6.651) 26.331 10.601 ( 2.215 -1.639 -22.747) 22.914 12.404 ( 5.370 0.062 11.569) 12.755 12.650 ( 6.816 0.084 -13.183) 14.841 13.929 ( -13.645 -0.617 9.465) 16.618 14.015 ( -17.319 4.450 3.188) 18.163 14.775 ( -9.385 1.975 10.778) 14.427 15.099 ( -9.430 2.969 -18.979) 21.399 ======================= Grid point 423 (128/155) ======================= q-point: ( 0.30 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.402 ( 8.819 -3.448 9.819) 13.641 1.584 ( 6.953 -2.309 -7.159) 10.243 1.660 ( 5.685 -0.026 5.059) 7.610 1.774 ( 3.481 1.928 -5.052) 6.431 2.117 ( -5.465 0.802 1.803) 5.810 2.177 ( -6.487 -0.019 -4.263) 7.762 2.334 ( -6.171 6.308 7.083) 11.316 2.451 ( -10.213 3.329 -4.971) 11.836 2.718 ( -1.307 -0.062 3.573) 3.805 2.788 ( -2.353 -0.100 -3.247) 4.011 3.147 ( 6.021 -0.807 3.363) 6.943 3.208 ( 4.397 -0.406 -2.707) 5.179 3.491 ( 1.698 0.005 1.533) 2.288 3.518 ( -0.813 1.515 -1.413) 2.226 3.776 ( 2.944 -1.248 4.673) 5.662 3.861 ( 2.585 -0.546 -3.896) 4.707 4.588 ( 1.255 1.088 1.608) 2.311 4.625 ( 0.834 1.304 -1.660) 2.269 9.056 ( 13.059 0.530 17.052) 21.485 9.193 ( 26.310 0.315 0.447) 26.315 9.529 ( 1.438 -0.311 27.149) 27.189 9.992 ( 6.638 -0.476 -15.515) 16.882 10.755 ( 19.239 -0.362 -0.145) 19.243 10.875 ( 35.562 -0.702 -10.196) 37.002 12.505 ( 5.799 0.029 13.931) 15.090 12.776 ( 7.004 0.156 -13.661) 15.353 13.605 ( -20.889 5.702 11.126) 24.345 13.652 ( -19.618 -0.182 5.126) 20.277 14.590 ( -10.214 0.134 8.413) 13.233 14.902 ( -9.662 2.358 -20.135) 22.458 ======================= Grid point 424 (129/155) ======================= q-point: ( 0.40 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.593 ( 8.466 -4.423 8.419) 12.732 1.716 ( 4.804 0.333 -0.249) 4.822 1.748 ( 4.551 -2.895 -0.642) 5.432 1.807 ( 2.705 0.941 -2.771) 3.985 2.022 ( -4.260 2.008 1.756) 5.026 2.065 ( -6.328 -0.862 -1.671) 6.601 2.170 ( -5.191 7.715 0.074) 9.299 2.233 ( -9.917 2.936 -5.697) 11.808 2.697 ( -0.769 0.469 3.175) 3.301 2.765 ( -0.779 -0.358 -3.417) 3.523 3.237 ( 3.420 -0.167 1.702) 3.824 3.264 ( 1.664 -0.230 -0.997) 1.953 3.488 ( -0.626 0.479 -0.190) 0.811 3.491 ( -0.513 1.017 -0.412) 1.211 3.865 ( 3.800 -2.117 3.761) 5.750 3.918 ( 2.183 -1.225 -1.749) 3.053 4.601 ( 1.014 0.681 1.659) 2.060 4.625 ( 0.299 1.067 -0.380) 1.171 9.215 ( 5.676 0.277 29.527) 30.069 9.550 ( 0.718 -0.072 20.529) 20.542 9.578 ( 17.740 0.475 -10.037) 20.388 9.995 ( -5.663 -0.764 -21.247) 22.002 11.190 ( 25.179 -0.066 16.117) 29.896 11.516 ( 31.957 -0.267 -15.341) 35.450 12.610 ( 6.181 -0.422 15.690) 16.869 12.887 ( 5.538 0.215 -13.186) 14.304 13.172 ( -21.769 4.686 14.364) 26.499 13.298 ( -19.446 -0.473 1.142) 19.485 14.426 ( -7.615 -0.395 8.205) 11.202 14.739 ( -6.385 1.238 -20.729) 21.726 ======================= Grid point 425 (130/155) ======================= q-point: (-0.50 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.706 ( 0.000 -0.000 5.195) 5.195 1.752 ( 0.000 -0.000 1.548) 1.548 1.824 ( 0.000 -0.000 3.908) 3.908 1.890 ( -0.000 0.000 -4.719) 4.719 1.937 ( 0.000 -0.000 2.236) 2.236 1.969 ( 0.000 -0.000 6.532) 6.532 2.076 ( 0.000 0.000 -8.297) 8.297 2.124 ( -0.000 0.000 -8.464) 8.464 2.688 ( 0.000 -0.000 3.319) 3.319 2.760 ( 0.000 -0.000 -3.747) 3.747 3.269 ( 0.000 0.000 0.585) 0.585 3.278 ( -0.000 -0.000 -0.310) 0.310 3.481 ( 0.000 0.000 -0.039) 0.039 3.483 ( -0.000 -0.000 -0.133) 0.133 3.911 ( 0.000 -0.000 2.812) 2.812 3.944 ( 0.000 -0.000 -0.650) 0.650 4.609 ( 0.000 -0.000 1.374) 1.374 4.621 ( 0.000 -0.000 0.481) 0.481 9.264 ( 0.000 -0.000 35.379) 35.379 9.556 ( -0.000 -0.000 15.992) 15.992 9.820 ( 0.000 -0.000 -21.028) 21.028 9.855 ( -0.000 -0.000 -13.922) 13.922 11.456 ( -0.000 -0.000 20.732) 20.732 11.850 ( 0.000 -0.000 -17.690) 17.690 12.769 ( -0.000 0.000 6.743) 6.743 12.805 ( 0.000 -0.000 24.348) 24.348 12.989 ( 0.000 -0.000 -11.480) 11.480 13.058 ( -0.000 -0.000 -1.214) 1.214 14.354 ( 0.000 -0.000 8.652) 8.652 14.674 ( 0.000 -0.000 -20.998) 20.998 ======================= Grid point 432 (131/155) ======================= q-point: ( 0.10 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.209 ( 7.500 0.000 11.907) 14.072 1.435 ( 6.250 0.000 -8.357) 10.435 1.525 ( 9.577 0.000 6.883) 11.794 1.706 ( 7.187 0.000 -8.808) 11.368 2.235 ( -6.121 -0.000 2.310) 6.542 2.285 ( -4.979 -0.000 -2.397) 5.526 2.494 ( -2.542 -0.000 9.059) 9.409 2.615 ( -3.939 -0.000 -3.201) 5.075 2.752 ( -4.492 -0.000 5.564) 7.150 2.865 ( -5.382 -0.000 -5.030) 7.366 3.017 ( 6.177 0.000 3.931) 7.322 3.097 ( 6.650 0.000 -4.043) 7.783 3.392 ( 6.889 0.000 6.870) 9.729 3.518 ( 2.799 0.000 -5.809) 6.448 3.794 ( -3.659 -0.000 3.652) 5.169 3.870 ( -1.983 -0.000 -4.050) 4.510 4.585 ( 0.852 0.000 1.138) 1.422 4.628 ( 0.821 0.000 -2.673) 2.796 8.663 ( 31.771 0.000 9.213) 33.080 8.749 ( 21.940 0.000 3.484) 22.214 9.493 ( 1.840 0.000 25.846) 25.911 9.786 ( 12.932 0.000 -3.743) 13.462 10.281 ( 25.865 0.000 6.088) 26.572 10.587 ( 2.347 0.000 -22.175) 22.299 12.405 ( 5.380 0.000 11.552) 12.744 12.651 ( 6.838 0.000 -13.205) 14.871 13.920 ( -13.387 -0.000 10.393) 16.948 14.050 ( -17.466 -0.000 -0.311) 17.468 14.798 ( -10.404 -0.000 12.149) 15.995 15.126 ( -9.886 -0.000 -18.363) 20.855 ======================= Grid point 433 (132/155) ======================= q-point: ( 0.20 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.362 ( 8.742 -1.276 10.292) 13.564 1.554 ( 6.703 -1.030 -8.480) 10.858 1.663 ( 5.764 0.141 6.909) 8.999 1.796 ( 3.199 0.691 -5.912) 6.757 2.126 ( -5.463 0.264 1.508) 5.674 2.175 ( -7.063 -0.123 -3.572) 7.916 2.423 ( -4.231 3.509 5.266) 7.612 2.494 ( -9.147 1.590 -2.748) 9.682 2.707 ( -0.986 -0.845 4.063) 4.265 2.783 ( -3.485 -0.346 -3.210) 4.751 3.137 ( 6.374 -0.333 3.641) 7.348 3.203 ( 4.684 -0.163 -2.906) 5.515 3.486 ( 2.648 -0.303 2.681) 3.780 3.535 ( -0.622 0.509 -2.414) 2.544 3.761 ( 0.954 -0.471 5.061) 5.172 3.859 ( 1.132 0.053 -4.657) 4.793 4.601 ( 1.107 0.479 1.657) 2.050 4.641 ( 0.801 0.558 -1.834) 2.078 9.062 ( 12.875 0.201 17.255) 21.530 9.197 ( 26.393 0.129 0.705) 26.402 9.525 ( 1.588 -0.139 26.818) 26.866 9.987 ( 6.368 -0.164 -15.604) 16.854 10.751 ( 18.545 -0.094 -0.278) 18.547 10.865 ( 37.058 -0.387 -9.686) 38.304 12.506 ( 5.667 0.002 13.930) 15.039 12.777 ( 6.979 0.043 -13.750) 15.420 13.632 ( -18.829 -0.362 7.858) 20.407 13.677 ( -22.932 1.617 5.550) 23.649 14.601 ( -10.729 0.669 10.439) 14.984 14.934 ( -10.462 1.166 -20.077) 22.670 ======================= Grid point 434 (133/155) ======================= q-point: ( 0.30 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.532 ( 8.116 -2.754 9.117) 12.513 1.688 ( 6.670 -2.252 -5.870) 9.166 1.736 ( 2.954 0.328 4.232) 5.172 1.821 ( 1.029 0.626 -3.849) 4.034 2.045 ( -4.060 0.709 0.275) 4.130 2.055 ( -5.181 -0.260 -0.984) 5.280 2.280 ( -10.414 4.029 -1.069) 11.217 2.294 ( -6.965 5.046 -1.837) 8.794 2.702 ( -0.512 0.184 2.292) 2.355 2.749 ( -1.252 -1.484 -2.190) 2.927 3.234 ( 3.986 -0.176 1.901) 4.419 3.261 ( 1.698 -0.128 -0.827) 1.893 3.492 ( -0.950 0.113 0.381) 1.030 3.507 ( -1.354 0.701 -1.298) 2.002 3.830 ( 4.241 -1.834 4.473) 6.431 3.899 ( 2.387 -0.896 -2.622) 3.657 4.613 ( 0.712 0.688 1.825) 2.076 4.643 ( 0.049 0.938 -0.686) 1.163 9.218 ( 5.318 0.100 30.046) 30.513 9.549 ( 0.957 -0.016 19.872) 19.895 9.585 ( 17.853 0.332 -10.019) 20.475 9.985 ( -5.547 -0.413 -20.882) 21.610 11.188 ( 25.316 -0.127 16.143) 30.025 11.510 ( 31.724 -0.390 -14.831) 35.022 12.604 ( 5.528 -0.293 15.999) 16.930 12.890 ( 5.609 0.066 -13.629) 14.739 13.229 ( -24.241 2.285 10.174) 26.389 13.287 ( -19.339 -0.672 3.400) 19.647 14.429 ( -7.218 0.546 9.549) 11.982 14.760 ( -7.254 1.156 -20.984) 22.233 ======================= Grid point 435 (134/155) ======================= q-point: ( 0.40 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.666 ( 2.824 -3.413 6.927) 8.223 1.760 ( -0.441 0.388 0.404) 0.712 1.810 ( 3.853 -1.800 -0.231) 4.259 1.867 ( 4.616 -1.376 -3.948) 6.228 1.964 ( -5.301 1.286 3.586) 6.528 1.980 ( -2.442 2.195 6.654) 7.420 2.090 ( -5.077 1.019 -6.778) 8.530 2.156 ( -2.878 3.621 -8.533) 9.706 2.689 ( -0.473 0.204 2.706) 2.755 2.750 ( -0.152 -1.200 -3.243) 3.461 3.268 ( -0.468 -0.053 0.703) 0.846 3.279 ( 0.652 0.105 -0.257) 0.709 3.476 ( -0.853 -0.335 0.494) 1.041 3.487 ( -0.362 0.258 -0.833) 0.944 3.900 ( 1.612 -1.103 3.078) 3.646 3.938 ( 0.958 -0.558 -0.882) 1.417 4.614 ( -0.236 0.456 1.471) 1.558 4.628 ( -0.787 0.713 0.349) 1.118 9.262 ( -0.297 -0.167 35.428) 35.429 9.557 ( 0.048 0.118 16.026) 16.027 9.817 ( -5.464 -0.242 -20.537) 21.253 9.860 ( 5.864 0.415 -14.535) 15.678 11.454 ( -0.219 -0.225 20.628) 20.630 11.845 ( 0.228 -0.542 -17.493) 17.502 12.747 ( 9.551 -1.719 12.613) 15.914 12.825 ( -13.839 1.545 18.893) 23.470 12.983 ( -1.492 -0.684 -11.735) 11.849 13.057 ( 1.299 -0.076 -1.470) 1.963 14.363 ( 0.945 0.883 8.468) 8.566 14.678 ( -0.833 0.441 -20.792) 20.814 ======================= Grid point 436 (135/155) ======================= q-point: (-0.50 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.660 ( -6.762 2.729 6.122) 9.521 1.699 ( -4.311 -1.166 1.811) 4.819 1.774 ( -4.227 0.241 1.619) 4.533 1.824 ( -5.936 3.166 -2.943) 7.343 1.988 ( 5.908 -1.813 1.152) 6.287 2.053 ( 4.870 -5.981 2.766) 8.194 2.082 ( 5.264 1.065 -3.937) 6.660 2.197 ( 7.482 -1.649 -8.076) 11.132 2.688 ( 0.276 -0.552 3.013) 3.076 2.760 ( 0.320 -0.936 -3.968) 4.090 3.239 ( -2.893 0.026 1.645) 3.328 3.268 ( -1.631 0.269 -1.242) 2.067 3.470 ( -0.408 -1.198 0.660) 1.427 3.485 ( 0.005 -0.228 -0.933) 0.960 3.891 ( -2.767 1.002 3.347) 4.457 3.934 ( -1.518 0.656 -1.123) 1.999 4.595 ( -1.478 -0.037 1.439) 2.063 4.612 ( -0.856 -0.448 -0.024) 0.967 9.209 ( -6.011 -0.411 29.087) 29.704 9.551 ( -0.553 0.133 21.289) 21.297 9.571 ( -17.615 -0.406 -10.115) 20.317 10.009 ( 5.819 0.920 -21.851) 22.632 11.190 ( -24.833 -0.081 15.848) 29.459 11.516 ( -32.127 -0.247 -15.735) 35.775 12.616 ( -6.961 0.330 15.065) 16.599 12.883 ( -5.421 -0.334 -12.649) 13.766 13.084 ( 18.044 -5.676 19.587) 27.230 13.299 ( 18.888 -0.311 -1.979) 18.994 14.444 ( 8.641 1.719 6.421) 10.902 14.725 ( 5.791 -0.392 -19.769) 20.604 ======================= Grid point 437 (136/155) ======================= q-point: (-0.40 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.469 ( -8.856 4.526 8.834) 13.302 1.609 ( -6.732 0.277 -0.326) 6.746 1.677 ( -6.082 2.172 -2.409) 6.893 1.738 ( -3.585 -1.979 -3.762) 5.561 2.098 ( 4.905 -1.644 2.357) 5.685 2.164 ( 5.752 -2.019 -2.490) 6.585 2.249 ( 9.610 -3.070 5.772) 11.623 2.395 ( 10.996 -3.359 -7.054) 13.490 2.708 ( 1.250 -1.057 3.082) 3.490 2.780 ( 1.188 -1.139 -3.819) 4.158 3.161 ( -5.399 0.807 2.978) 6.218 3.215 ( -3.992 0.460 -2.462) 4.712 3.478 ( -0.921 -1.781 0.665) 2.112 3.492 ( 0.452 -1.155 -0.905) 1.536 3.800 ( -5.190 1.585 4.691) 7.173 3.877 ( -3.727 1.151 -3.047) 4.950 4.570 ( -1.616 -0.919 1.495) 2.386 4.603 ( -1.039 -1.294 -1.354) 2.142 9.046 ( -13.270 -0.667 16.834) 21.446 9.188 ( -26.214 -0.346 0.032) 26.216 9.534 ( -1.270 0.301 27.730) 27.761 10.002 ( -7.109 0.704 -15.427) 17.001 10.764 ( -19.438 0.745 -0.617) 19.462 10.883 ( -33.970 0.187 -10.574) 35.578 12.504 ( -5.999 -0.091 13.859) 15.102 12.772 ( -7.012 -0.283 -13.529) 15.241 13.473 ( 17.950 -9.769 18.934) 27.859 13.649 ( 18.625 -0.945 0.532) 18.657 14.607 ( 10.556 2.211 5.433) 12.077 14.870 ( 9.011 -1.281 -19.074) 21.134 ======================= Grid point 438 (137/155) ======================= q-point: (-0.30 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.291 ( -6.778 4.456 10.575) 13.328 1.476 ( -7.523 1.140 0.724) 7.643 1.542 ( -7.061 1.967 -3.195) 7.996 1.672 ( -5.938 -1.567 -7.612) 9.781 2.191 ( 3.536 -2.567 5.308) 6.875 2.284 ( 6.164 -0.002 -3.311) 6.997 2.442 ( 9.171 -1.609 8.177) 12.392 2.598 ( 8.314 -1.142 -6.232) 10.452 2.748 ( 2.657 -0.983 4.102) 4.985 2.834 ( 3.756 -2.091 -4.409) 6.158 3.044 ( -6.132 1.466 3.733) 7.327 3.119 ( -5.913 1.143 -3.744) 7.092 3.419 ( -6.671 0.810 5.267) 8.538 3.504 ( -1.436 -1.273 -3.529) 4.017 3.744 ( -0.370 -2.631 2.949) 3.969 3.812 ( -2.568 -1.692 -3.730) 4.834 4.555 ( -1.145 -1.478 1.282) 2.267 4.597 ( -0.812 -1.516 -2.527) 3.057 8.656 ( -31.713 -0.311 8.789) 32.910 8.736 ( -21.872 -0.670 3.491) 22.159 9.502 ( -1.948 0.369 25.734) 25.811 9.789 ( -13.112 0.177 -3.539) 13.583 10.290 ( -24.689 0.473 7.877) 25.920 10.636 ( -1.694 2.350 -24.243) 24.416 12.403 ( -5.335 -0.125 11.596) 12.765 12.648 ( -6.742 -0.172 -13.129) 14.759 13.863 ( 15.230 -11.067 14.446) 23.730 13.953 ( 14.160 -1.324 3.900) 14.747 14.764 ( 8.343 1.118 6.757) 10.794 15.046 ( 8.523 -2.826 -19.193) 21.189 ======================= Grid point 439 (138/155) ======================= q-point: (-0.20 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.162 ( -3.319 4.538 12.397) 13.612 1.308 ( -9.665 1.023 11.230) 14.851 1.425 ( -3.048 3.323 -12.044) 12.860 1.556 ( -7.067 -0.271 -11.706) 13.676 2.264 ( 1.912 -3.308 7.138) 8.096 2.369 ( 3.437 0.710 -3.639) 5.055 2.571 ( 4.896 2.469 7.513) 9.301 2.681 ( 2.350 1.398 -2.605) 3.777 2.829 ( 4.337 -0.480 4.610) 6.348 2.895 ( -2.127 1.085 0.141) 2.392 2.992 ( 4.314 -1.721 -2.105) 5.099 3.011 ( -3.537 0.678 -2.599) 4.441 3.268 ( -8.224 0.474 8.376) 11.748 3.444 ( -5.106 -0.118 -8.965) 10.318 3.801 ( 2.048 -4.532 1.785) 5.283 3.835 ( 1.032 -5.687 -1.757) 6.041 4.554 ( -0.423 -1.566 0.940) 1.875 4.599 ( -0.316 -1.340 -3.175) 3.460 8.157 ( -21.856 -0.322 11.388) 24.647 8.347 ( -19.179 -0.347 -5.419) 19.933 9.464 ( -1.737 0.246 15.525) 15.624 9.601 ( -7.249 0.115 0.577) 7.273 9.982 ( -9.817 1.107 28.895) 30.538 10.620 ( 1.014 2.605 -32.082) 32.203 12.325 ( -3.263 -0.014 9.560) 10.101 12.548 ( -4.220 -0.023 -12.632) 13.318 14.118 ( 7.227 -0.718 9.941) 12.311 14.204 ( 9.190 -7.958 3.399) 12.623 14.887 ( 4.956 -2.338 10.316) 11.681 15.204 ( 5.388 -4.357 -18.809) 20.044 ======================= Grid point 440 (139/155) ======================= q-point: (-0.10 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.099 ( -0.000 4.463 13.488) 14.207 1.193 ( -0.000 0.509 14.508) 14.517 1.373 ( -0.000 3.204 -13.865) 14.230 1.480 ( 0.000 -0.032 -14.110) 14.110 2.310 ( 0.000 -3.571 6.525) 7.438 2.392 ( -0.000 1.100 -2.245) 2.500 2.581 ( -0.000 3.831 7.228) 8.180 2.692 ( -0.000 1.109 -2.819) 3.029 2.843 ( -0.000 1.133 2.648) 2.880 2.858 ( -0.000 2.065 1.495) 2.549 3.009 ( 0.000 -1.465 3.118) 3.445 3.081 ( 0.000 -1.652 -3.489) 3.860 3.171 ( 0.000 -0.165 8.132) 8.134 3.383 ( 0.000 -0.227 -11.827) 11.829 3.858 ( 0.000 -3.805 2.365) 4.480 3.896 ( 0.000 -5.031 -1.505) 5.252 4.562 ( 0.000 -1.228 0.679) 1.403 4.606 ( 0.000 -0.989 -3.316) 3.461 7.955 ( 0.000 -0.272 11.314) 11.317 8.162 ( 0.000 -0.113 -7.526) 7.527 9.445 ( -0.000 0.146 9.642) 9.643 9.535 ( -0.000 0.122 1.660) 1.664 9.890 ( -0.000 1.052 38.099) 38.113 10.611 ( -0.000 2.082 -33.719) 33.783 12.294 ( -0.000 0.028 8.738) 8.738 12.509 ( -0.000 0.027 -12.420) 12.420 14.176 ( -0.000 1.322 11.295) 11.372 14.340 ( 0.000 -4.409 -3.381) 5.556 14.968 ( 0.000 -5.051 13.123) 14.061 15.291 ( 0.000 -4.081 -17.461) 17.932 ======================= Grid point 443 (140/155) ======================= q-point: ( 0.20 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.509 ( 7.906 0.000 9.318) 12.220 1.668 ( 6.494 0.000 -5.911) 8.781 1.739 ( 3.028 0.000 4.106) 5.102 1.826 ( 0.583 0.000 -4.169) 4.209 2.047 ( -6.551 -0.000 -0.828) 6.603 2.056 ( -2.375 -0.000 -0.498) 2.427 2.311 ( -11.924 -0.000 0.121) 11.925 2.345 ( -6.405 -0.000 -1.785) 6.649 2.704 ( 0.678 0.000 1.325) 1.488 2.731 ( -2.109 -0.000 -1.129) 2.392 3.233 ( 4.223 0.000 2.005) 4.675 3.260 ( 1.715 0.000 -0.776) 1.882 3.493 ( -1.030 -0.000 0.603) 1.194 3.513 ( -1.631 -0.000 -1.660) 2.327 3.813 ( 4.317 0.000 4.880) 6.515 3.892 ( 2.332 0.000 -3.071) 3.856 4.620 ( 0.620 0.000 1.893) 1.992 4.651 ( -0.008 -0.000 -0.811) 0.811 9.219 ( 5.161 0.000 30.283) 30.720 9.549 ( 1.068 0.000 19.619) 19.648 9.588 ( 17.906 0.000 -10.033) 20.525 9.982 ( -5.504 -0.000 -20.769) 21.486 11.187 ( 25.339 0.000 16.116) 30.030 11.506 ( 31.607 0.000 -14.603) 34.818 12.601 ( 5.277 0.000 16.080) 16.924 12.890 ( 5.628 0.000 -13.802) 14.905 13.248 ( -25.092 -0.000 8.621) 26.532 13.281 ( -19.094 -0.000 4.199) 19.551 14.435 ( -7.222 -0.000 9.986) 12.324 14.770 ( -7.665 -0.000 -20.949) 22.307 ======================= Grid point 444 (141/155) ======================= q-point: ( 0.30 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.623 ( 3.471 -1.523 7.834) 8.703 1.763 ( -1.096 0.013 -1.544) 1.893 1.780 ( 5.270 -1.163 -1.252) 5.540 1.856 ( 3.783 -0.203 -4.006) 5.514 1.970 ( -1.439 0.059 4.319) 4.552 2.018 ( -4.480 1.377 5.672) 7.358 2.104 ( -7.179 0.615 -4.605) 8.551 2.210 ( -6.585 2.091 -8.061) 10.616 2.697 ( -0.908 0.744 1.070) 1.588 2.726 ( 0.258 -1.430 -1.831) 2.337 3.267 ( -0.685 -0.022 0.892) 1.125 3.280 ( 1.015 0.053 -0.171) 1.030 3.472 ( -1.194 -0.159 0.783) 1.437 3.490 ( -0.733 0.093 -1.405) 1.587 3.884 ( 2.586 -0.667 3.515) 4.414 3.930 ( 1.490 -0.328 -1.254) 1.975 4.620 ( -0.439 0.281 1.606) 1.689 4.639 ( -1.155 0.418 0.160) 1.239 9.259 ( -0.476 -0.104 35.506) 35.509 9.559 ( 0.079 0.073 16.082) 16.082 9.814 ( -7.292 -0.121 -20.098) 21.380 9.866 ( 7.948 0.229 -15.173) 17.130 11.450 ( -0.345 -0.139 20.456) 20.459 11.837 ( 0.320 -0.339 -17.163) 17.169 12.726 ( 8.779 -0.738 14.926) 17.332 12.844 ( -16.022 0.682 17.556) 23.778 12.972 ( -1.744 -0.457 -12.550) 12.679 13.056 ( 1.827 -0.052 -1.793) 2.560 14.376 ( 1.451 0.540 8.170) 8.315 14.685 ( -1.336 0.269 -20.461) 20.507 ======================= Grid point 445 (142/155) ======================= q-point: (-0.60 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.653 ( -1.360 -1.779 3.612) 4.250 1.696 ( -6.075 -0.181 -0.191) 6.080 1.802 ( -7.419 2.865 5.636) 9.747 1.861 ( -3.350 0.658 -0.730) 3.491 1.968 ( 5.932 -0.607 0.371) 5.974 1.985 ( 2.448 -2.209 3.054) 4.494 2.102 ( 4.874 1.301 -4.742) 6.923 2.174 ( 4.720 -1.265 -8.791) 10.058 2.682 ( -0.284 -0.072 1.900) 1.923 2.740 ( 0.063 -1.295 -3.707) 3.928 3.239 ( -2.630 -0.061 1.823) 3.200 3.272 ( -1.631 0.206 -1.447) 2.190 3.454 ( -1.123 -0.671 1.421) 1.931 3.482 ( -0.339 -0.120 -1.596) 1.636 3.898 ( -1.587 0.043 3.335) 3.694 3.939 ( -0.834 0.065 -0.892) 1.223 4.598 ( -1.784 0.325 1.188) 2.168 4.610 ( -1.604 0.047 0.285) 1.630 9.203 ( -6.198 -0.318 28.888) 29.547 9.554 ( -0.540 0.120 21.849) 21.856 9.565 ( -17.497 -0.226 -10.195) 20.251 10.023 ( 5.967 0.669 -22.482) 23.270 11.188 ( -24.369 -0.103 15.377) 28.815 11.510 ( -32.209 -0.464 -15.762) 35.862 12.620 ( -7.527 0.122 14.292) 16.153 12.878 ( -5.459 -0.200 -12.361) 13.514 13.002 ( 14.797 -3.898 23.857) 28.342 13.290 ( 17.883 -0.581 -4.684) 18.496 14.474 ( 9.642 1.591 5.055) 11.002 14.724 ( 5.735 0.187 -18.557) 19.424 ======================= Grid point 446 (143/155) ======================= q-point: (-0.50 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.539 ( -8.550 3.563 6.692) 11.427 1.602 ( -5.772 -0.671 2.176) 6.205 1.683 ( -5.020 -1.270 -1.014) 5.276 1.750 ( -5.432 3.056 -6.054) 8.689 2.058 ( 3.867 -3.113 5.373) 7.315 2.129 ( 8.702 -1.473 1.301) 8.922 2.231 ( 9.390 -0.016 -0.835) 9.427 2.344 ( 11.026 -2.866 -7.721) 13.763 2.691 ( 0.911 -0.861 1.848) 2.233 2.754 ( 0.328 -1.824 -4.189) 4.581 3.171 ( -4.760 0.426 2.756) 5.517 3.222 ( -3.668 0.346 -2.335) 4.362 3.445 ( -1.036 -1.796 1.603) 2.621 3.478 ( -0.354 -0.634 -1.865) 2.001 3.823 ( -6.056 1.091 4.751) 7.774 3.893 ( -3.963 0.773 -2.392) 4.694 4.560 ( -2.148 -0.253 1.228) 2.487 4.585 ( -1.470 -0.825 -0.934) 1.927 9.035 ( -13.390 -0.551 16.737) 21.441 9.183 ( -26.152 -0.249 -0.381) 26.156 9.538 ( -1.183 0.200 28.391) 28.416 10.014 ( -7.652 0.690 -15.375) 17.187 10.779 ( -18.366 1.152 -2.297) 18.545 10.879 ( -33.460 -0.712 -10.096) 34.957 12.503 ( -6.176 -0.132 13.671) 15.002 12.767 ( -6.979 -0.306 -13.425) 15.134 13.313 ( 13.952 -8.965 25.679) 30.568 13.621 ( 16.985 -2.208 -4.856) 17.803 14.653 ( 11.515 2.974 3.380) 12.364 14.863 ( 9.284 0.359 -16.924) 19.307 ======================= Grid point 447 (144/155) ======================= q-point: (-0.40 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.367 ( -6.611 4.458 9.113) 12.109 1.486 ( -7.237 0.474 5.314) 8.991 1.581 ( -5.722 1.821 -7.560) 9.655 1.657 ( -4.468 0.375 -7.509) 8.746 2.145 ( 3.093 -2.835 8.577) 9.548 2.285 ( 7.429 0.138 -3.803) 8.347 2.423 ( 11.333 -0.798 5.451) 12.601 2.575 ( 11.516 -1.758 -6.989) 13.585 2.727 ( 2.102 -1.323 2.151) 3.285 2.792 ( 2.206 -2.888 -4.062) 5.451 3.068 ( -5.643 1.353 3.496) 6.775 3.138 ( -5.072 1.064 -3.459) 6.231 3.418 ( -4.896 -0.950 3.642) 6.176 3.479 ( -0.944 -1.560 -2.711) 3.267 3.706 ( -5.163 -1.660 4.679) 7.163 3.798 ( -5.625 -0.211 -4.192) 7.019 4.532 ( -1.570 -1.188 1.341) 2.382 4.573 ( -0.902 -1.381 -2.341) 2.864 8.652 ( -31.723 -0.258 8.380) 32.812 8.725 ( -21.745 -0.662 3.588) 22.049 9.507 ( -2.018 0.264 25.868) 25.948 9.793 ( -13.299 0.250 -3.356) 13.718 10.298 ( -24.087 0.417 8.987) 25.712 10.673 ( -0.746 2.112 -26.232) 26.327 12.400 ( -5.272 -0.160 11.585) 12.729 12.645 ( -6.615 -0.218 -13.072) 14.652 13.642 ( 12.076 -14.309 24.287) 30.667 13.914 ( 12.809 -3.690 -3.074) 13.680 14.809 ( 8.701 3.837 3.597) 10.167 15.023 ( 8.341 0.067 -17.123) 19.047 ======================= Grid point 448 (145/155) ======================= q-point: (-0.30 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.240 ( -3.390 4.130 11.381) 12.573 1.337 ( -7.576 2.912 10.273) 13.093 1.484 ( -2.274 3.154 -12.029) 12.641 1.560 ( -5.518 1.253 -10.911) 12.290 2.212 ( 1.667 -2.985 10.167) 10.726 2.380 ( 3.612 0.668 -6.611) 7.563 2.609 ( 8.345 2.051 6.684) 10.886 2.710 ( 3.293 2.108 -3.121) 5.003 2.808 ( 5.751 -2.102 3.815) 7.214 2.895 ( 4.599 -1.916 -3.750) 6.236 2.975 ( -1.445 0.323 2.053) 2.531 3.032 ( -4.911 1.875 -2.997) 6.051 3.276 ( -9.418 0.415 8.062) 12.405 3.439 ( -4.836 -0.599 -8.033) 9.395 3.706 ( 0.165 -6.808 1.613) 6.999 3.745 ( -1.763 -4.730 -2.190) 5.503 4.525 ( -0.649 -1.813 1.308) 2.328 4.575 ( -0.318 -1.560 -3.229) 3.601 8.151 ( -21.935 -0.368 11.356) 24.703 8.341 ( -18.864 -0.411 -5.443) 19.638 9.468 ( -1.803 0.249 15.359) 15.466 9.604 ( -7.199 0.176 0.653) 7.231 10.000 ( -9.391 1.071 30.176) 31.622 10.668 ( 1.388 3.053 -33.883) 34.049 12.324 ( -3.160 -0.029 9.589) 10.097 12.548 ( -4.098 -0.042 -12.594) 13.244 13.954 ( 7.742 -16.822 19.391) 26.813 14.124 ( 7.109 -3.501 1.019) 7.990 14.896 ( 4.428 3.183 5.140) 7.494 15.149 ( 4.845 -1.706 -18.501) 19.201 ======================= Grid point 449 (146/155) ======================= q-point: (-0.20 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.198 ( -0.000 7.306 11.692) 13.787 1.204 ( -0.000 0.723 13.785) 13.804 1.446 ( -0.000 5.441 -12.876) 13.979 1.478 ( 0.000 -0.115 -13.646) 13.646 2.253 ( 0.000 -3.335 9.848) 10.397 2.406 ( -0.000 0.713 -5.862) 5.905 2.651 ( -0.000 4.347 4.659) 6.372 2.718 ( -0.000 2.079 -1.814) 2.759 2.870 ( -0.000 2.116 3.734) 4.292 2.903 ( -0.000 3.338 0.967) 3.475 2.976 ( 0.000 -2.381 3.090) 3.901 3.043 ( 0.000 -2.906 -3.121) 4.265 3.167 ( 0.000 -0.471 7.672) 7.686 3.377 ( 0.000 -0.433 -11.932) 11.940 3.772 ( 0.000 -6.740 0.940) 6.805 3.788 ( 0.000 -7.343 -0.618) 7.369 4.536 ( 0.000 -1.924 1.081) 2.207 4.585 ( 0.000 -1.535 -3.440) 3.767 7.949 ( 0.000 -0.421 11.485) 11.493 8.160 ( 0.000 -0.184 -7.707) 7.710 9.449 ( -0.000 0.234 9.640) 9.643 9.538 ( -0.000 0.193 1.701) 1.712 9.912 ( -0.000 1.392 39.033) 39.058 10.656 ( -0.000 3.173 -35.159) 35.302 12.295 ( -0.000 0.044 8.765) 8.765 12.509 ( -0.000 0.043 -12.394) 12.394 14.148 ( 0.000 -10.459 12.529) 16.320 14.220 ( 0.000 -5.483 4.528) 7.111 14.920 ( -0.000 0.368 7.925) 7.934 15.217 ( 0.000 -3.925 -19.172) 19.570 ======================= Grid point 454 (147/155) ======================= q-point: ( 0.30 0.30 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.636 ( -0.766 -0.000 3.736) 3.814 1.693 ( -5.810 -0.000 -1.419) 5.981 1.841 ( -10.946 -0.000 5.525) 12.261 1.851 ( 1.877 0.000 1.909) 2.677 1.965 ( 7.164 0.000 0.465) 7.179 1.971 ( -0.506 -0.000 2.351) 2.405 2.117 ( 4.740 0.000 -5.166) 7.011 2.160 ( 2.941 0.000 -9.208) 9.666 2.683 ( -0.611 -0.000 1.048) 1.213 2.727 ( 0.125 0.000 -3.265) 3.267 3.238 ( -2.572 -0.000 1.960) 3.234 3.274 ( -1.639 -0.000 -1.526) 2.240 3.448 ( -1.332 -0.000 1.657) 2.126 3.481 ( -0.452 -0.000 -1.863) 1.917 3.898 ( -1.071 -0.000 3.410) 3.574 3.939 ( -0.563 -0.000 -0.860) 1.028 4.601 ( -1.791 -0.000 1.061) 2.082 4.611 ( -2.033 -0.000 0.419) 2.076 9.200 ( -6.250 -0.000 28.848) 29.517 9.555 ( -0.511 -0.000 22.164) 22.170 9.563 ( -17.497 -0.000 -10.339) 20.323 10.029 ( 6.031 0.000 -22.760) 23.546 11.187 ( -24.135 -0.000 15.119) 28.480 11.505 ( -32.239 -0.000 -15.673) 35.847 12.621 ( -7.706 -0.000 13.916) 15.907 12.876 ( -5.740 -0.000 -12.660) 13.901 12.968 ( 13.746 0.000 25.862) 29.289 13.285 ( 17.371 0.000 -5.734) 18.293 14.488 ( 10.028 0.000 4.565) 11.018 14.727 ( 5.812 0.000 -18.013) 18.928 ======================= Grid point 455 (148/155) ======================= q-point: (-0.60 0.30 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.572 ( -7.606 0.569 2.866) 8.148 1.595 ( -4.337 -0.156 1.766) 4.686 1.675 ( -6.300 0.216 3.151) 7.047 1.792 ( -5.739 1.471 -6.289) 8.641 2.016 ( 4.316 -1.494 7.881) 9.108 2.116 ( 9.522 -0.299 0.939) 9.573 2.235 ( 8.410 0.231 -3.444) 9.091 2.307 ( 11.102 -1.399 -7.367) 13.397 2.683 ( 0.738 -0.129 0.388) 0.844 2.729 ( -0.202 -1.014 -3.993) 4.124 3.175 ( -4.388 0.092 2.776) 5.193 3.226 ( -3.518 0.130 -2.323) 4.217 3.425 ( -1.534 -0.622 2.315) 2.846 3.471 ( -0.719 -0.220 -2.514) 2.624 3.834 ( -6.043 0.328 4.761) 7.700 3.901 ( -3.851 0.207 -2.003) 4.346 4.560 ( -2.575 0.102 0.842) 2.711 4.576 ( -1.845 -0.326 -0.489) 1.936 9.029 ( -13.424 -0.214 16.732) 21.453 9.180 ( -26.125 -0.089 -0.637) 26.132 9.540 ( -1.166 0.070 28.853) 28.876 10.022 ( -8.039 0.297 -15.339) 17.320 10.798 ( -15.178 0.900 -4.777) 15.938 10.864 ( -35.534 -0.808 -8.571) 36.562 12.501 ( -6.266 -0.071 13.480) 14.865 12.763 ( -6.942 -0.135 -13.388) 15.082 13.206 ( 11.340 -3.579 29.413) 31.726 13.590 ( 15.506 -1.164 -8.345) 17.648 14.691 ( 12.173 1.320 2.546) 12.507 14.872 ( 9.873 0.446 -15.313) 18.225 ======================= Grid point 456 (149/155) ======================= q-point: (-0.50 0.30 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.420 ( -7.833 1.714 7.293) 10.839 1.502 ( -4.779 1.443 5.119) 7.150 1.589 ( -4.720 -0.181 -5.127) 6.972 1.687 ( -3.891 2.330 -8.959) 10.041 2.105 ( 3.573 -1.949 11.269) 11.982 2.288 ( 8.473 0.212 -4.172) 9.446 2.412 ( 11.722 -0.548 2.933) 12.096 2.545 ( 13.472 -1.632 -6.648) 15.112 2.712 ( 2.164 -0.425 -0.576) 2.280 2.747 ( 0.987 -2.368 -3.455) 4.303 3.086 ( -5.066 0.708 3.389) 6.136 3.152 ( -4.352 0.613 -3.259) 5.471 3.396 ( -3.462 -1.383 3.334) 5.002 3.459 ( -1.305 -0.861 -3.241) 3.598 3.691 ( -8.798 -0.360 6.251) 10.799 3.798 ( -7.183 0.121 -4.303) 8.374 4.518 ( -2.087 -0.519 1.254) 2.489 4.555 ( -1.013 -0.812 -2.083) 2.454 8.648 ( -31.779 -0.133 8.025) 32.776 8.716 ( -21.588 -0.407 3.728) 21.912 9.510 ( -2.066 0.124 26.141) 26.223 9.797 ( -13.474 0.194 -3.197) 13.849 10.303 ( -23.855 0.222 9.613) 25.720 10.701 ( 0.288 1.245 -28.097) 28.126 12.398 ( -5.201 -0.123 11.529) 12.649 12.642 ( -6.484 -0.160 -13.042) 14.566 13.439 ( 8.985 -9.476 30.744) 33.402 13.848 ( 11.124 -3.671 -9.471) 15.064 14.869 ( 9.318 3.014 2.512) 10.111 15.039 ( 8.950 1.360 -14.544) 17.132 ======================= Grid point 457 (150/155) ======================= q-point: (-0.40 0.30 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.280 ( -5.997 1.138 10.882) 12.477 1.407 ( -2.931 4.926 8.014) 9.853 1.509 ( -3.535 0.344 -10.751) 11.323 1.608 ( -2.433 3.837 -10.582) 11.516 2.169 ( 1.778 -2.153 12.538) 12.845 2.391 ( 3.642 0.660 -9.129) 9.850 2.636 ( 11.194 1.262 6.448) 12.980 2.745 ( 4.871 1.817 -4.123) 6.635 2.769 ( 5.232 -2.165 2.387) 6.144 2.841 ( 8.284 -3.890 -4.464) 10.183 2.994 ( -3.709 1.483 3.537) 5.336 3.065 ( -4.216 1.904 -3.506) 5.804 3.279 ( -10.118 -0.075 7.538) 12.618 3.425 ( -3.969 -0.942 -7.117) 8.203 3.601 ( -2.942 -5.457 3.731) 7.236 3.684 ( -5.070 -2.734 -4.226) 7.144 4.499 ( -0.947 -1.324 1.669) 2.331 4.551 ( -0.327 -1.181 -3.253) 3.477 8.146 ( -22.025 -0.275 11.315) 24.763 8.335 ( -18.566 -0.319 -5.451) 19.353 9.472 ( -1.807 0.165 15.338) 15.445 9.607 ( -7.196 0.171 0.692) 7.231 10.015 ( -9.085 0.634 31.372) 32.667 10.714 ( 1.815 2.488 -36.160) 36.291 12.324 ( -3.039 -0.035 9.606) 10.076 12.547 ( -3.955 -0.046 -12.561) 13.169 13.675 ( 5.681 -15.546 29.155) 33.526 14.043 ( 6.173 -5.799 -7.438) 11.272 14.964 ( 4.727 4.357 3.094) 7.135 15.152 ( 4.959 1.673 -15.632) 16.485 ======================= Grid point 458 (151/155) ======================= q-point: (-0.30 0.30 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.215 ( -0.000 0.612 12.937) 12.951 1.324 ( -0.000 7.656 9.663) 12.329 1.476 ( 0.000 -0.187 -13.097) 13.098 1.541 ( -0.000 5.830 -11.718) 13.088 2.204 ( 0.000 -2.565 12.256) 12.521 2.417 ( -0.000 0.639 -9.004) 9.026 2.710 ( -0.000 2.612 2.692) 3.751 2.757 ( -0.000 2.425 -2.226) 3.291 2.907 ( -0.000 2.226 5.040) 5.510 2.937 ( 0.000 -2.100 3.044) 3.698 2.963 ( -0.000 3.865 0.332) 3.879 2.991 ( 0.000 -3.232 -2.119) 3.864 3.155 ( 0.000 -1.003 7.232) 7.301 3.369 ( 0.000 -0.533 -12.168) 12.179 3.642 ( 0.000 -8.213 1.943) 8.440 3.682 ( 0.000 -5.736 -1.940) 6.055 4.504 ( 0.000 -1.815 1.610) 2.426 4.560 ( 0.000 -1.439 -3.586) 3.864 7.942 ( 0.000 -0.397 11.679) 11.685 8.157 ( 0.000 -0.184 -7.910) 7.912 9.452 ( -0.000 0.231 9.634) 9.637 9.541 ( -0.000 0.188 1.755) 1.765 9.932 ( -0.000 1.033 40.214) 40.227 10.708 ( -0.000 3.124 -37.340) 37.471 12.296 ( -0.000 0.042 8.798) 8.798 12.510 ( -0.000 0.042 -12.363) 12.363 13.873 ( 0.000 -18.723 24.947) 31.192 14.148 ( 0.000 -5.681 -3.238) 6.539 14.969 ( -0.000 4.564 3.885) 5.993 15.187 ( -0.000 0.418 -17.321) 17.326 ======================= Grid point 465 (152/155) ======================= q-point: (-0.60 0.40 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.432 ( -8.376 -0.000 6.522) 10.616 1.517 ( -3.671 -0.000 3.786) 5.274 1.588 ( -4.273 -0.000 -3.257) 5.373 1.708 ( -3.819 -0.000 -9.162) 9.926 2.088 ( 3.891 0.000 12.315) 12.915 2.290 ( 8.882 0.000 -4.355) 9.893 2.407 ( 11.632 0.000 2.012) 11.805 2.530 ( 14.065 0.000 -6.490) 15.490 2.712 ( 2.508 0.000 -2.088) 3.264 2.723 ( 0.369 0.000 -2.827) 2.851 3.091 ( -4.809 -0.000 3.403) 5.891 3.157 ( -4.074 -0.000 -3.198) 5.179 3.383 ( -3.265 -0.000 3.516) 4.798 3.451 ( -1.475 -0.000 -3.627) 3.915 3.689 ( -9.893 -0.000 6.699) 11.948 3.799 ( -7.607 -0.000 -4.251) 8.714 4.514 ( -2.351 -0.000 1.162) 2.622 4.548 ( -1.044 -0.000 -1.935) 2.199 8.647 ( -31.814 -0.000 7.882) 32.776 8.713 ( -21.513 -0.000 3.797) 21.845 9.511 ( -2.083 -0.000 26.286) 26.368 9.798 ( -13.547 -0.000 -3.130) 13.904 10.305 ( -23.826 -0.000 9.793) 25.760 10.712 ( 0.760 0.000 -28.900) 28.910 12.397 ( -5.167 -0.000 11.494) 12.602 12.640 ( -6.426 -0.000 -13.037) 14.534 13.358 ( 7.777 0.000 32.999) 33.903 13.815 ( 10.348 0.000 -11.875) 15.751 14.895 ( 9.562 0.000 2.326) 9.841 15.052 ( 9.305 0.000 -13.555) 16.442 ======================= Grid point 467 (153/155) ======================= q-point: (-0.50 0.40 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.290 ( -6.635 0.223 10.448) 12.379 1.468 ( -1.145 1.906 4.011) 4.586 1.513 ( -3.672 0.355 -7.461) 8.323 1.658 ( -1.332 1.766 -10.206) 10.443 2.144 ( 1.957 -0.826 14.010) 14.171 2.399 ( 3.639 0.318 -10.706) 11.312 2.649 ( 13.500 0.351 6.607) 15.034 2.745 ( 4.738 -0.155 0.572) 4.775 2.763 ( 2.536 -0.616 -3.137) 4.080 2.791 ( 11.901 -1.235 -5.319) 13.094 3.013 ( -3.558 0.624 3.698) 5.169 3.088 ( -3.173 0.784 -3.921) 5.105 3.275 ( -10.001 -0.237 7.171) 12.309 3.413 ( -3.406 -0.435 -6.910) 7.716 3.539 ( -5.673 -1.977 5.853) 8.387 3.655 ( -7.389 -0.838 -5.481) 9.238 4.484 ( -1.180 -0.459 1.871) 2.259 4.538 ( -0.325 -0.432 -3.233) 3.278 8.143 ( -22.084 -0.100 11.285) 24.800 8.331 ( -18.391 -0.119 -5.448) 19.181 9.474 ( -1.784 0.056 15.391) 15.494 9.609 ( -7.218 0.073 0.697) 7.252 10.021 ( -8.945 0.189 32.105) 33.328 10.744 ( 2.129 0.989 -37.944) 38.017 12.323 ( -2.954 -0.017 9.608) 10.052 12.546 ( -3.856 -0.020 -12.545) 13.124 13.490 ( 4.316 -6.148 34.242) 35.057 13.965 ( 5.372 -2.817 -12.788) 14.153 15.019 ( 4.970 1.856 2.803) 6.000 15.181 ( 5.275 1.203 -13.646) 14.680 ======================= Grid point 468 (154/155) ======================= q-point: (-0.40 0.40 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.223 ( -0.000 0.329 12.280) 12.284 1.432 ( -0.000 5.099 7.967) 9.459 1.473 ( 0.000 -0.149 -12.670) 12.671 1.623 ( -0.000 3.831 -10.755) 11.417 2.171 ( 0.000 -1.466 13.994) 14.070 2.426 ( -0.000 0.505 -11.307) 11.318 2.735 ( -0.000 0.623 1.556) 1.676 2.786 ( -0.000 0.874 -3.836) 3.934 2.915 ( 0.000 -0.541 2.688) 2.742 2.938 ( -0.000 1.416 6.260) 6.418 2.947 ( 0.000 -1.843 -0.641) 1.951 3.024 ( -0.000 3.412 -1.098) 3.584 3.133 ( 0.000 -1.622 7.764) 7.932 3.361 ( 0.000 -0.393 -12.491) 12.497 3.527 ( 0.000 -5.296 3.997) 6.635 3.606 ( 0.000 -3.399 -3.696) 5.021 4.480 ( 0.000 -1.042 2.057) 2.306 4.541 ( 0.000 -0.834 -3.681) 3.774 7.937 ( 0.000 -0.234 11.821) 11.823 8.154 ( 0.000 -0.113 -8.057) 8.058 9.456 ( -0.000 0.142 9.625) 9.626 9.544 ( -0.000 0.113 1.799) 1.803 9.944 ( -0.000 0.471 41.243) 41.245 10.752 ( -0.000 2.018 -39.666) 39.717 12.296 ( -0.000 0.025 8.825) 8.825 12.511 ( -0.000 0.025 -12.338) 12.338 13.607 ( 0.000 -12.337 32.830) 35.071 14.049 ( 0.000 -5.405 -11.055) 12.306 15.040 ( -0.000 3.546 3.047) 4.675 15.214 ( -0.000 2.086 -14.523) 14.672 ======================= Grid point 478 (155/155) ======================= q-point: ( 0.50 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 1.94e-05 1.94e-05 0.00e+00 0.00e+00 Number of triplets: 142 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.225 ( -0.000 0.000 12.035) 12.035 1.472 ( -0.000 0.000 -12.511) 12.511 1.476 ( -0.000 0.000 7.238) 7.238 1.656 ( -0.000 0.000 -10.341) 10.341 2.158 ( -0.000 0.000 14.686) 14.686 2.431 ( -0.000 0.000 -12.206) 12.206 2.739 ( -0.000 0.000 0.920) 0.920 2.790 ( -0.000 0.000 -4.028) 4.028 2.913 ( 0.000 -0.000 2.254) 2.254 2.933 ( -0.000 0.000 -0.211) 0.211 2.950 ( -0.000 0.000 6.787) 6.787 3.060 ( 0.000 -0.000 -4.842) 4.842 3.112 ( -0.000 0.000 11.150) 11.150 3.358 ( -0.000 0.000 -12.660) 12.660 3.482 ( -0.000 0.000 5.048) 5.048 3.577 ( -0.000 0.000 -4.385) 4.385 4.471 ( -0.000 0.000 2.230) 2.230 4.534 ( -0.000 0.000 -3.706) 3.706 7.935 ( -0.000 0.000 11.872) 11.872 8.153 ( -0.000 0.000 -8.109) 8.109 9.457 ( -0.000 0.000 9.621) 9.621 9.545 ( -0.000 0.000 1.816) 1.816 9.948 ( -0.000 0.000 41.663) 41.663 10.769 ( -0.000 0.000 -40.752) 40.752 12.296 ( -0.000 0.000 8.835) 8.835 12.511 ( -0.000 0.000 -12.329) 12.329 13.502 ( -0.000 0.000 35.574) 35.574 14.001 ( -0.000 0.000 -13.935) 13.935 15.071 ( -0.000 0.000 3.030) 3.030 15.234 ( -0.000 0.000 -13.521) 13.521 =================== 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 3/27000 10.0 670.974 359.615 585.826 0.000 0.000 -0.000 3/27000 20.0 150.049 59.031 169.804 0.000 0.000 -0.000 3/27000 30.0 59.903 20.122 68.384 0.000 0.000 -0.000 3/27000 40.0 35.375 10.966 40.279 0.000 0.000 -0.000 3/27000 50.0 25.007 7.436 28.430 0.000 0.000 -0.000 3/27000 60.0 19.443 5.640 22.122 0.000 0.000 -0.000 3/27000 70.0 16.007 4.560 18.251 0.000 0.000 -0.000 3/27000 80.0 13.681 3.840 15.635 0.000 0.000 -0.000 3/27000 90.0 12.000 3.325 13.742 0.000 0.000 -0.000 3/27000 100.0 10.722 2.937 12.299 0.000 0.000 -0.000 3/27000 110.0 9.715 2.635 11.158 0.000 0.000 -0.000 3/27000 120.0 8.897 2.392 10.228 0.000 0.000 -0.000 3/27000 130.0 8.216 2.193 9.452 0.000 0.000 -0.000 3/27000 140.0 7.639 2.026 8.794 0.000 0.000 -0.000 3/27000 150.0 7.142 1.884 8.227 0.000 0.000 -0.000 3/27000 160.0 6.710 1.762 7.733 0.000 0.000 -0.000 3/27000 170.0 6.329 1.655 7.297 0.000 0.000 -0.000 3/27000 180.0 5.990 1.561 6.909 0.000 0.000 -0.000 3/27000 190.0 5.687 1.478 6.562 0.000 0.000 -0.000 3/27000 200.0 5.413 1.404 6.249 0.000 0.000 -0.000 3/27000 210.0 5.165 1.337 5.965 0.000 0.000 -0.000 3/27000 220.0 4.940 1.276 5.707 0.000 0.000 -0.000 3/27000 230.0 4.733 1.221 5.470 0.000 0.000 -0.000 3/27000 240.0 4.543 1.170 5.252 0.000 0.000 -0.000 3/27000 250.0 4.368 1.124 5.051 0.000 0.000 -0.000 3/27000 260.0 4.206 1.081 4.865 0.000 0.000 -0.000 3/27000 270.0 4.055 1.041 4.692 0.000 0.000 -0.000 3/27000 280.0 3.915 1.004 4.531 0.000 0.000 -0.000 3/27000 290.0 3.784 0.970 4.381 0.000 0.000 -0.000 3/27000 300.0 3.662 0.938 4.241 0.000 0.000 -0.000 3/27000 310.0 3.547 0.908 4.109 0.000 0.000 -0.000 3/27000 320.0 3.440 0.880 3.985 0.000 0.000 -0.000 3/27000 330.0 3.338 0.854 3.868 0.000 0.000 -0.000 3/27000 340.0 3.243 0.829 3.758 0.000 0.000 -0.000 3/27000 350.0 3.153 0.806 3.654 0.000 0.000 -0.000 3/27000 360.0 3.067 0.784 3.556 0.000 0.000 -0.000 3/27000 370.0 2.986 0.763 3.462 0.000 0.000 -0.000 3/27000 380.0 2.909 0.743 3.374 0.000 0.000 -0.000 3/27000 390.0 2.837 0.724 3.290 0.000 0.000 -0.000 3/27000 400.0 2.767 0.706 3.210 0.000 0.000 -0.000 3/27000 410.0 2.701 0.689 3.133 0.000 0.000 -0.000 3/27000 420.0 2.638 0.673 3.061 0.000 0.000 -0.000 3/27000 430.0 2.578 0.658 2.991 0.000 0.000 -0.000 3/27000 440.0 2.520 0.643 2.925 0.000 0.000 -0.000 3/27000 450.0 2.465 0.629 2.861 0.000 0.000 -0.000 3/27000 460.0 2.413 0.615 2.800 0.000 0.000 -0.000 3/27000 470.0 2.362 0.602 2.742 0.000 0.000 -0.000 3/27000 480.0 2.314 0.590 2.686 0.000 0.000 -0.000 3/27000 490.0 2.267 0.578 2.632 0.000 0.000 -0.000 3/27000 500.0 2.223 0.567 2.581 0.000 0.000 -0.000 3/27000 510.0 2.180 0.556 2.531 0.000 0.000 -0.000 3/27000 520.0 2.139 0.545 2.483 0.000 0.000 -0.000 3/27000 530.0 2.099 0.535 2.437 0.000 0.000 -0.000 3/27000 540.0 2.060 0.525 2.393 0.000 0.000 -0.000 3/27000 550.0 2.024 0.516 2.350 0.000 0.000 -0.000 3/27000 560.0 1.988 0.506 2.309 0.000 0.000 -0.000 3/27000 570.0 1.953 0.498 2.269 0.000 0.000 -0.000 3/27000 580.0 1.920 0.489 2.230 0.000 0.000 -0.000 3/27000 590.0 1.888 0.481 2.193 0.000 0.000 -0.000 3/27000 600.0 1.857 0.473 2.157 0.000 0.000 -0.000 3/27000 610.0 1.827 0.465 2.122 0.000 0.000 -0.000 3/27000 620.0 1.798 0.458 2.089 0.000 0.000 -0.000 3/27000 630.0 1.769 0.451 2.056 0.000 0.000 -0.000 3/27000 640.0 1.742 0.444 2.024 0.000 0.000 -0.000 3/27000 650.0 1.716 0.437 1.993 0.000 0.000 -0.000 3/27000 660.0 1.690 0.430 1.964 0.000 0.000 -0.000 3/27000 670.0 1.665 0.424 1.935 0.000 0.000 -0.000 3/27000 680.0 1.641 0.418 1.906 0.000 0.000 -0.000 3/27000 690.0 1.617 0.412 1.879 0.000 0.000 -0.000 3/27000 700.0 1.594 0.406 1.853 0.000 0.000 -0.000 3/27000 710.0 1.572 0.400 1.827 0.000 0.000 -0.000 3/27000 720.0 1.550 0.395 1.802 0.000 0.000 -0.000 3/27000 730.0 1.529 0.389 1.777 0.000 0.000 -0.000 3/27000 740.0 1.509 0.384 1.754 0.000 0.000 -0.000 3/27000 750.0 1.489 0.379 1.730 0.000 0.000 -0.000 3/27000 760.0 1.469 0.374 1.708 0.000 0.000 -0.000 3/27000 770.0 1.451 0.369 1.686 0.000 0.000 -0.000 3/27000 780.0 1.432 0.365 1.664 0.000 0.000 -0.000 3/27000 790.0 1.414 0.360 1.644 0.000 0.000 -0.000 3/27000 800.0 1.397 0.355 1.623 0.000 0.000 -0.000 3/27000 810.0 1.379 0.351 1.603 0.000 0.000 -0.000 3/27000 820.0 1.363 0.347 1.584 0.000 0.000 -0.000 3/27000 830.0 1.346 0.343 1.565 0.000 0.000 -0.000 3/27000 840.0 1.331 0.339 1.547 0.000 0.000 -0.000 3/27000 850.0 1.315 0.335 1.529 0.000 0.000 -0.000 3/27000 860.0 1.300 0.331 1.511 0.000 0.000 -0.000 3/27000 870.0 1.285 0.327 1.494 0.000 0.000 -0.000 3/27000 880.0 1.270 0.323 1.477 0.000 0.000 -0.000 3/27000 890.0 1.256 0.320 1.460 0.000 0.000 -0.000 3/27000 900.0 1.242 0.316 1.444 0.000 0.000 -0.000 3/27000 910.0 1.229 0.313 1.429 0.000 0.000 -0.000 3/27000 920.0 1.216 0.309 1.413 0.000 0.000 -0.000 3/27000 930.0 1.203 0.306 1.398 0.000 0.000 -0.000 3/27000 940.0 1.190 0.303 1.383 0.000 0.000 -0.000 3/27000 950.0 1.177 0.300 1.369 0.000 0.000 -0.000 3/27000 960.0 1.165 0.297 1.355 0.000 0.000 -0.000 3/27000 970.0 1.153 0.293 1.341 0.000 0.000 -0.000 3/27000 980.0 1.142 0.290 1.327 0.000 0.000 -0.000 3/27000 990.0 1.130 0.288 1.314 0.000 0.000 -0.000 3/27000 1000.0 1.119 0.285 1.301 0.000 0.000 -0.000 3/27000 Thermal conductivity related properties were written into "kappa-m10109.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 05:19:53]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|