----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 19:05:03]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 3 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 144 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.313676559999999 0.000000000000000 0.000000000000000 b 0.000000000000000 3.669993289999999 0.000000000000000 c 0.000000000000000 0.000000000000000 4.132853400000000 Atomic positions (fractional): *1 S 0.64807098498757 0.25000000000000 0.49837574510566 32.065 2 S 0.35192901501243 0.75000000000000 0.50162425489434 32.065 3 S 0.85192901501243 0.75000000000000 0.99837574510566 32.065 4 S 0.14807098498757 0.25000000000000 0.00162425489434 32.065 *5 Ge 0.88008573332161 0.25000000000000 0.38408695906157 72.640 6 Ge 0.11991426667839 0.75000000000000 0.61591304093843 72.640 7 Ge 0.61991426667839 0.75000000000000 0.88408695906157 72.640 8 Ge 0.38008573332161 0.25000000000000 0.11591304093843 72.640 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.313676559999999 0.000000000000000 0.000000000000000 b 0.000000000000000 3.669993289999999 0.000000000000000 c 0.000000000000000 0.000000000000000 4.132853400000000 Atomic positions (fractional): *1 S 0.64807098498757 0.25000000000000 0.49837574510566 32.065 > 1 2 S 0.35192901501243 0.75000000000000 0.50162425489434 32.065 > 2 3 S 0.85192901501243 0.75000000000000 0.99837574510566 32.065 > 3 4 S 0.14807098498757 0.25000000000000 0.00162425489434 32.065 > 4 *5 Ge 0.88008573332161 0.25000000000000 0.38408695906157 72.640 > 5 6 Ge 0.11991426667839 0.75000000000000 0.61591304093843 72.640 > 6 7 Ge 0.61991426667839 0.75000000000000 0.88408695906157 72.640 > 7 8 Ge 0.38008573332161 0.25000000000000 0.11591304093843 72.640 > 8 -------------------------------- super cell -------------------------------- Lattice vectors: a 20.627353119999999 0.000000000000000 0.000000000000000 b 0.000000000000000 11.009979869999997 0.000000000000000 c 0.000000000000000 0.000000000000000 12.398560200000000 Atomic positions (fractional): *1 S 0.32403549249378 0.08333333333333 0.16612524836855 32.065 > 1 2 S 0.82403549249378 0.08333333333333 0.16612524836855 32.065 > 1 3 S 0.32403549249378 0.41666666666667 0.16612524836855 32.065 > 1 4 S 0.82403549249378 0.41666666666667 0.16612524836855 32.065 > 1 5 S 0.32403549249378 0.75000000000000 0.16612524836855 32.065 > 1 6 S 0.82403549249378 0.75000000000000 0.16612524836855 32.065 > 1 7 S 0.32403549249378 0.08333333333333 0.49945858170189 32.065 > 1 8 S 0.82403549249378 0.08333333333333 0.49945858170189 32.065 > 1 9 S 0.32403549249378 0.41666666666667 0.49945858170189 32.065 > 1 10 S 0.82403549249378 0.41666666666667 0.49945858170189 32.065 > 1 11 S 0.32403549249378 0.75000000000000 0.49945858170189 32.065 > 1 12 S 0.82403549249378 0.75000000000000 0.49945858170189 32.065 > 1 13 S 0.32403549249378 0.08333333333333 0.83279191503522 32.065 > 1 14 S 0.82403549249378 0.08333333333333 0.83279191503522 32.065 > 1 15 S 0.32403549249378 0.41666666666667 0.83279191503522 32.065 > 1 16 S 0.82403549249378 0.41666666666667 0.83279191503522 32.065 > 1 17 S 0.32403549249378 0.75000000000000 0.83279191503522 32.065 > 1 18 S 0.82403549249378 0.75000000000000 0.83279191503522 32.065 > 1 19 S 0.17596450750622 0.25000000000000 0.16720808496478 32.065 > 2 20 S 0.67596450750622 0.25000000000000 0.16720808496478 32.065 > 2 21 S 0.17596450750622 0.58333333333333 0.16720808496478 32.065 > 2 22 S 0.67596450750622 0.58333333333333 0.16720808496478 32.065 > 2 23 S 0.17596450750622 0.91666666666667 0.16720808496478 32.065 > 2 24 S 0.67596450750622 0.91666666666667 0.16720808496478 32.065 > 2 25 S 0.17596450750622 0.25000000000000 0.50054141829811 32.065 > 2 26 S 0.67596450750622 0.25000000000000 0.50054141829811 32.065 > 2 27 S 0.17596450750622 0.58333333333333 0.50054141829811 32.065 > 2 28 S 0.67596450750622 0.58333333333333 0.50054141829811 32.065 > 2 29 S 0.17596450750622 0.91666666666667 0.50054141829811 32.065 > 2 30 S 0.67596450750622 0.91666666666667 0.50054141829811 32.065 > 2 31 S 0.17596450750622 0.25000000000000 0.83387475163145 32.065 > 2 32 S 0.67596450750622 0.25000000000000 0.83387475163145 32.065 > 2 33 S 0.17596450750622 0.58333333333333 0.83387475163145 32.065 > 2 34 S 0.67596450750622 0.58333333333333 0.83387475163145 32.065 > 2 35 S 0.17596450750622 0.91666666666667 0.83387475163145 32.065 > 2 36 S 0.67596450750622 0.91666666666667 0.83387475163145 32.065 > 2 37 S 0.42596450750622 0.25000000000000 0.33279191503522 32.065 > 3 38 S 0.92596450750622 0.25000000000000 0.33279191503522 32.065 > 3 39 S 0.42596450750622 0.58333333333333 0.33279191503522 32.065 > 3 40 S 0.92596450750622 0.58333333333333 0.33279191503522 32.065 > 3 41 S 0.42596450750622 0.91666666666667 0.33279191503522 32.065 > 3 42 S 0.92596450750622 0.91666666666667 0.33279191503522 32.065 > 3 43 S 0.42596450750622 0.25000000000000 0.66612524836855 32.065 > 3 44 S 0.92596450750622 0.25000000000000 0.66612524836855 32.065 > 3 45 S 0.42596450750622 0.58333333333333 0.66612524836855 32.065 > 3 46 S 0.92596450750622 0.58333333333333 0.66612524836855 32.065 > 3 47 S 0.42596450750622 0.91666666666667 0.66612524836855 32.065 > 3 48 S 0.92596450750622 0.91666666666667 0.66612524836855 32.065 > 3 49 S 0.42596450750622 0.25000000000000 0.99945858170189 32.065 > 3 50 S 0.92596450750622 0.25000000000000 0.99945858170189 32.065 > 3 51 S 0.42596450750622 0.58333333333333 0.99945858170189 32.065 > 3 52 S 0.92596450750622 0.58333333333333 0.99945858170189 32.065 > 3 53 S 0.42596450750622 0.91666666666667 0.99945858170189 32.065 > 3 54 S 0.92596450750622 0.91666666666667 0.99945858170189 32.065 > 3 55 S 0.07403549249378 0.08333333333333 0.00054141829811 32.065 > 4 56 S 0.57403549249378 0.08333333333333 0.00054141829811 32.065 > 4 57 S 0.07403549249378 0.41666666666667 0.00054141829811 32.065 > 4 58 S 0.57403549249378 0.41666666666667 0.00054141829811 32.065 > 4 59 S 0.07403549249378 0.75000000000000 0.00054141829811 32.065 > 4 60 S 0.57403549249378 0.75000000000000 0.00054141829811 32.065 > 4 61 S 0.07403549249378 0.08333333333333 0.33387475163145 32.065 > 4 62 S 0.57403549249378 0.08333333333333 0.33387475163145 32.065 > 4 63 S 0.07403549249378 0.41666666666667 0.33387475163145 32.065 > 4 64 S 0.57403549249378 0.41666666666667 0.33387475163145 32.065 > 4 65 S 0.07403549249378 0.75000000000000 0.33387475163145 32.065 > 4 66 S 0.57403549249378 0.75000000000000 0.33387475163145 32.065 > 4 67 S 0.07403549249378 0.08333333333333 0.66720808496478 32.065 > 4 68 S 0.57403549249378 0.08333333333333 0.66720808496478 32.065 > 4 69 S 0.07403549249378 0.41666666666667 0.66720808496478 32.065 > 4 70 S 0.57403549249378 0.41666666666667 0.66720808496478 32.065 > 4 71 S 0.07403549249378 0.75000000000000 0.66720808496478 32.065 > 4 72 S 0.57403549249378 0.75000000000000 0.66720808496478 32.065 > 4 *73 Ge 0.44004286666081 0.08333333333333 0.12802898635386 72.640 > 5 74 Ge 0.94004286666081 0.08333333333333 0.12802898635386 72.640 > 5 75 Ge 0.44004286666081 0.41666666666667 0.12802898635386 72.640 > 5 76 Ge 0.94004286666081 0.41666666666667 0.12802898635386 72.640 > 5 77 Ge 0.44004286666081 0.75000000000000 0.12802898635386 72.640 > 5 78 Ge 0.94004286666081 0.75000000000000 0.12802898635386 72.640 > 5 79 Ge 0.44004286666081 0.08333333333333 0.46136231968719 72.640 > 5 80 Ge 0.94004286666081 0.08333333333333 0.46136231968719 72.640 > 5 81 Ge 0.44004286666081 0.41666666666667 0.46136231968719 72.640 > 5 82 Ge 0.94004286666081 0.41666666666667 0.46136231968719 72.640 > 5 83 Ge 0.44004286666081 0.75000000000000 0.46136231968719 72.640 > 5 84 Ge 0.94004286666081 0.75000000000000 0.46136231968719 72.640 > 5 85 Ge 0.44004286666081 0.08333333333333 0.79469565302052 72.640 > 5 86 Ge 0.94004286666081 0.08333333333333 0.79469565302052 72.640 > 5 87 Ge 0.44004286666081 0.41666666666667 0.79469565302052 72.640 > 5 88 Ge 0.94004286666081 0.41666666666667 0.79469565302052 72.640 > 5 89 Ge 0.44004286666081 0.75000000000000 0.79469565302052 72.640 > 5 90 Ge 0.94004286666081 0.75000000000000 0.79469565302052 72.640 > 5 91 Ge 0.05995713333919 0.25000000000000 0.20530434697948 72.640 > 6 92 Ge 0.55995713333919 0.25000000000000 0.20530434697948 72.640 > 6 93 Ge 0.05995713333919 0.58333333333333 0.20530434697948 72.640 > 6 94 Ge 0.55995713333919 0.58333333333333 0.20530434697948 72.640 > 6 95 Ge 0.05995713333919 0.91666666666667 0.20530434697948 72.640 > 6 96 Ge 0.55995713333919 0.91666666666667 0.20530434697948 72.640 > 6 97 Ge 0.05995713333919 0.25000000000000 0.53863768031281 72.640 > 6 98 Ge 0.55995713333919 0.25000000000000 0.53863768031281 72.640 > 6 99 Ge 0.05995713333919 0.58333333333333 0.53863768031281 72.640 > 6 100 Ge 0.55995713333919 0.58333333333333 0.53863768031281 72.640 > 6 101 Ge 0.05995713333919 0.91666666666667 0.53863768031281 72.640 > 6 102 Ge 0.55995713333919 0.91666666666667 0.53863768031281 72.640 > 6 103 Ge 0.05995713333919 0.25000000000000 0.87197101364614 72.640 > 6 104 Ge 0.55995713333919 0.25000000000000 0.87197101364614 72.640 > 6 105 Ge 0.05995713333919 0.58333333333333 0.87197101364614 72.640 > 6 106 Ge 0.55995713333919 0.58333333333333 0.87197101364614 72.640 > 6 107 Ge 0.05995713333919 0.91666666666667 0.87197101364614 72.640 > 6 108 Ge 0.55995713333919 0.91666666666667 0.87197101364614 72.640 > 6 109 Ge 0.30995713333919 0.25000000000000 0.29469565302052 72.640 > 7 110 Ge 0.80995713333919 0.25000000000000 0.29469565302052 72.640 > 7 111 Ge 0.30995713333919 0.58333333333333 0.29469565302052 72.640 > 7 112 Ge 0.80995713333919 0.58333333333333 0.29469565302052 72.640 > 7 113 Ge 0.30995713333919 0.91666666666667 0.29469565302052 72.640 > 7 114 Ge 0.80995713333919 0.91666666666667 0.29469565302052 72.640 > 7 115 Ge 0.30995713333919 0.25000000000000 0.62802898635386 72.640 > 7 116 Ge 0.80995713333919 0.25000000000000 0.62802898635386 72.640 > 7 117 Ge 0.30995713333919 0.58333333333333 0.62802898635386 72.640 > 7 118 Ge 0.80995713333919 0.58333333333333 0.62802898635386 72.640 > 7 119 Ge 0.30995713333919 0.91666666666667 0.62802898635386 72.640 > 7 120 Ge 0.80995713333919 0.91666666666667 0.62802898635386 72.640 > 7 121 Ge 0.30995713333919 0.25000000000000 0.96136231968719 72.640 > 7 122 Ge 0.80995713333919 0.25000000000000 0.96136231968719 72.640 > 7 123 Ge 0.30995713333919 0.58333333333333 0.96136231968719 72.640 > 7 124 Ge 0.80995713333919 0.58333333333333 0.96136231968719 72.640 > 7 125 Ge 0.30995713333919 0.91666666666667 0.96136231968719 72.640 > 7 126 Ge 0.80995713333919 0.91666666666667 0.96136231968719 72.640 > 7 127 Ge 0.19004286666081 0.08333333333333 0.03863768031281 72.640 > 8 128 Ge 0.69004286666081 0.08333333333333 0.03863768031281 72.640 > 8 129 Ge 0.19004286666081 0.41666666666667 0.03863768031281 72.640 > 8 130 Ge 0.69004286666081 0.41666666666667 0.03863768031281 72.640 > 8 131 Ge 0.19004286666081 0.75000000000000 0.03863768031281 72.640 > 8 132 Ge 0.69004286666081 0.75000000000000 0.03863768031281 72.640 > 8 133 Ge 0.19004286666081 0.08333333333333 0.37197101364614 72.640 > 8 134 Ge 0.69004286666081 0.08333333333333 0.37197101364614 72.640 > 8 135 Ge 0.19004286666081 0.41666666666667 0.37197101364614 72.640 > 8 136 Ge 0.69004286666081 0.41666666666667 0.37197101364614 72.640 > 8 137 Ge 0.19004286666081 0.75000000000000 0.37197101364614 72.640 > 8 138 Ge 0.69004286666081 0.75000000000000 0.37197101364614 72.640 > 8 139 Ge 0.19004286666081 0.08333333333333 0.70530434697948 72.640 > 8 140 Ge 0.69004286666081 0.08333333333333 0.70530434697948 72.640 > 8 141 Ge 0.19004286666081 0.41666666666667 0.70530434697948 72.640 > 8 142 Ge 0.69004286666081 0.41666666666667 0.70530434697948 72.640 > 8 143 Ge 0.19004286666081 0.75000000000000 0.70530434697948 72.640 > 8 144 Ge 0.69004286666081 0.75000000000000 0.70530434697948 72.640 > 8 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 23.3021073 0.0000000 0.0000000 0.0000000 15.6575727 0.0000000 0.0000000 0.0000000 17.2537882 -------------------------- Born effective charges -------------------------- 1 S -3.5743594 0.0000000 1.1850242 0.0000000 -3.5414668 0.0000000 0.7127839 0.0000000 -2.7516146 2 S -3.5743594 0.0000000 1.1850242 0.0000000 -3.5414668 0.0000000 0.7127839 0.0000000 -2.7516146 3 S -3.5743594 0.0000000 -1.1850242 0.0000000 -3.5414668 0.0000000 -0.7127839 0.0000000 -2.7516146 4 S -3.5743594 0.0000000 -1.1850242 0.0000000 -3.5414668 0.0000000 -0.7127839 0.0000000 -2.7516146 5 Ge 3.5743594 0.0000000 0.3246853 0.0000000 3.5414668 0.0000000 -0.6868616 0.0000000 2.7516146 6 Ge 3.5743594 0.0000000 0.3246853 0.0000000 3.5414668 0.0000000 -0.6868616 0.0000000 2.7516146 7 Ge 3.5743594 0.0000000 -0.3246853 0.0000000 3.5414668 0.0000000 0.6868616 0.0000000 2.7516146 8 Ge 3.5743594 0.0000000 -0.3246853 0.0000000 3.5414668 0.0000000 0.6868616 0.0000000 2.7516146 ---------------------------------------------------------------------------- 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: 432/432 Permutation basis: 5784/5784 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 732 Number of blocks in projector: 732 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: 192 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 116 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 116 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 116 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 96 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 96 Use standard eigh solver. Tree of FC basis block matrices: - (732, 722), data: False |-- (96, 96), data: True |-- (96, 96), data: True |-- (116, 114), data: True |-- (116, 114), data: True |-- (116, 114), data: True |-- (192, 188), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.009 Solver_block: 100 / 160 - Time: 0.869 Solver_block: 160 / 160 - Time: 0.556 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.557 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 432/432 Permutation basis: 5784/5784 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 732 Number of blocks in projector: 732 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: 192 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 116 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 116 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 116 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 96 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 96 Use standard eigh solver. Tree of FC basis block matrices: - (732, 722), data: False |-- (96, 96), data: True |-- (96, 96), data: True |-- (116, 114), data: True |-- (116, 114), data: True |-- (116, 114), data: True |-- (192, 188), 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 2026-01-07 19:05:17]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:05:17]------------------------- 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 3 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.313676559999999 0.000000000000000 0.000000000000000 b 0.000000000000000 3.669993289999999 0.000000000000000 c 0.000000000000000 0.000000000000000 4.132853400000000 Atomic positions (fractional): 1 S 0.64807098498757 0.25000000000000 0.49837574510566 32.065 2 S 0.35192901501243 0.75000000000000 0.50162425489434 32.065 3 S 0.85192901501243 0.75000000000000 0.99837574510566 32.065 4 S 0.14807098498757 0.25000000000000 0.00162425489434 32.065 5 Ge 0.88008573332161 0.25000000000000 0.38408695906157 72.640 6 Ge 0.11991426667839 0.75000000000000 0.61591304093843 72.640 7 Ge 0.61991426667839 0.75000000000000 0.88408695906157 72.640 8 Ge 0.38008573332161 0.25000000000000 0.11591304093843 72.640 -------------------------------- supercell --------------------------------- Lattice vectors: a 20.627353119999999 0.000000000000000 0.000000000000000 b 0.000000000000000 11.009979869999997 0.000000000000000 c 0.000000000000000 0.000000000000000 12.398560200000000 Atomic positions (fractional): 1 S 0.32403549249378 0.08333333333333 0.16612524836855 32.065 > 1 2 S 0.82403549249378 0.08333333333333 0.16612524836855 32.065 > 1 3 S 0.32403549249378 0.41666666666667 0.16612524836855 32.065 > 1 4 S 0.82403549249378 0.41666666666667 0.16612524836855 32.065 > 1 5 S 0.32403549249378 0.75000000000000 0.16612524836855 32.065 > 1 6 S 0.82403549249378 0.75000000000000 0.16612524836855 32.065 > 1 7 S 0.32403549249378 0.08333333333333 0.49945858170189 32.065 > 1 8 S 0.82403549249378 0.08333333333333 0.49945858170189 32.065 > 1 9 S 0.32403549249378 0.41666666666667 0.49945858170189 32.065 > 1 10 S 0.82403549249378 0.41666666666667 0.49945858170189 32.065 > 1 11 S 0.32403549249378 0.75000000000000 0.49945858170189 32.065 > 1 12 S 0.82403549249378 0.75000000000000 0.49945858170189 32.065 > 1 13 S 0.32403549249378 0.08333333333333 0.83279191503522 32.065 > 1 14 S 0.82403549249378 0.08333333333333 0.83279191503522 32.065 > 1 15 S 0.32403549249378 0.41666666666667 0.83279191503522 32.065 > 1 16 S 0.82403549249378 0.41666666666667 0.83279191503522 32.065 > 1 17 S 0.32403549249378 0.75000000000000 0.83279191503522 32.065 > 1 18 S 0.82403549249378 0.75000000000000 0.83279191503522 32.065 > 1 19 S 0.17596450750622 0.25000000000000 0.16720808496478 32.065 > 19 20 S 0.67596450750622 0.25000000000000 0.16720808496478 32.065 > 19 21 S 0.17596450750622 0.58333333333333 0.16720808496478 32.065 > 19 22 S 0.67596450750622 0.58333333333333 0.16720808496478 32.065 > 19 23 S 0.17596450750622 0.91666666666667 0.16720808496478 32.065 > 19 24 S 0.67596450750622 0.91666666666667 0.16720808496478 32.065 > 19 25 S 0.17596450750622 0.25000000000000 0.50054141829811 32.065 > 19 26 S 0.67596450750622 0.25000000000000 0.50054141829811 32.065 > 19 27 S 0.17596450750622 0.58333333333333 0.50054141829811 32.065 > 19 28 S 0.67596450750622 0.58333333333333 0.50054141829811 32.065 > 19 29 S 0.17596450750622 0.91666666666667 0.50054141829811 32.065 > 19 30 S 0.67596450750622 0.91666666666667 0.50054141829811 32.065 > 19 31 S 0.17596450750622 0.25000000000000 0.83387475163145 32.065 > 19 32 S 0.67596450750622 0.25000000000000 0.83387475163145 32.065 > 19 33 S 0.17596450750622 0.58333333333333 0.83387475163145 32.065 > 19 34 S 0.67596450750622 0.58333333333333 0.83387475163145 32.065 > 19 35 S 0.17596450750622 0.91666666666667 0.83387475163145 32.065 > 19 36 S 0.67596450750622 0.91666666666667 0.83387475163145 32.065 > 19 37 S 0.42596450750622 0.25000000000000 0.33279191503522 32.065 > 37 38 S 0.92596450750622 0.25000000000000 0.33279191503522 32.065 > 37 39 S 0.42596450750622 0.58333333333333 0.33279191503522 32.065 > 37 40 S 0.92596450750622 0.58333333333333 0.33279191503522 32.065 > 37 41 S 0.42596450750622 0.91666666666667 0.33279191503522 32.065 > 37 42 S 0.92596450750622 0.91666666666667 0.33279191503522 32.065 > 37 43 S 0.42596450750622 0.25000000000000 0.66612524836855 32.065 > 37 44 S 0.92596450750622 0.25000000000000 0.66612524836855 32.065 > 37 45 S 0.42596450750622 0.58333333333333 0.66612524836855 32.065 > 37 46 S 0.92596450750622 0.58333333333333 0.66612524836855 32.065 > 37 47 S 0.42596450750622 0.91666666666667 0.66612524836855 32.065 > 37 48 S 0.92596450750622 0.91666666666667 0.66612524836855 32.065 > 37 49 S 0.42596450750622 0.25000000000000 0.99945858170189 32.065 > 37 50 S 0.92596450750622 0.25000000000000 0.99945858170189 32.065 > 37 51 S 0.42596450750622 0.58333333333333 0.99945858170189 32.065 > 37 52 S 0.92596450750622 0.58333333333333 0.99945858170189 32.065 > 37 53 S 0.42596450750622 0.91666666666667 0.99945858170189 32.065 > 37 54 S 0.92596450750622 0.91666666666667 0.99945858170189 32.065 > 37 55 S 0.07403549249378 0.08333333333333 0.00054141829811 32.065 > 55 56 S 0.57403549249378 0.08333333333333 0.00054141829811 32.065 > 55 57 S 0.07403549249378 0.41666666666667 0.00054141829811 32.065 > 55 58 S 0.57403549249378 0.41666666666667 0.00054141829811 32.065 > 55 59 S 0.07403549249378 0.75000000000000 0.00054141829811 32.065 > 55 60 S 0.57403549249378 0.75000000000000 0.00054141829811 32.065 > 55 61 S 0.07403549249378 0.08333333333333 0.33387475163145 32.065 > 55 62 S 0.57403549249378 0.08333333333333 0.33387475163145 32.065 > 55 63 S 0.07403549249378 0.41666666666667 0.33387475163145 32.065 > 55 64 S 0.57403549249378 0.41666666666667 0.33387475163145 32.065 > 55 65 S 0.07403549249378 0.75000000000000 0.33387475163145 32.065 > 55 66 S 0.57403549249378 0.75000000000000 0.33387475163145 32.065 > 55 67 S 0.07403549249378 0.08333333333333 0.66720808496478 32.065 > 55 68 S 0.57403549249378 0.08333333333333 0.66720808496478 32.065 > 55 69 S 0.07403549249378 0.41666666666667 0.66720808496478 32.065 > 55 70 S 0.57403549249378 0.41666666666667 0.66720808496478 32.065 > 55 71 S 0.07403549249378 0.75000000000000 0.66720808496478 32.065 > 55 72 S 0.57403549249378 0.75000000000000 0.66720808496478 32.065 > 55 73 Ge 0.44004286666081 0.08333333333333 0.12802898635386 72.640 > 73 74 Ge 0.94004286666081 0.08333333333333 0.12802898635386 72.640 > 73 75 Ge 0.44004286666081 0.41666666666667 0.12802898635386 72.640 > 73 76 Ge 0.94004286666081 0.41666666666667 0.12802898635386 72.640 > 73 77 Ge 0.44004286666081 0.75000000000000 0.12802898635386 72.640 > 73 78 Ge 0.94004286666081 0.75000000000000 0.12802898635386 72.640 > 73 79 Ge 0.44004286666081 0.08333333333333 0.46136231968719 72.640 > 73 80 Ge 0.94004286666081 0.08333333333333 0.46136231968719 72.640 > 73 81 Ge 0.44004286666081 0.41666666666667 0.46136231968719 72.640 > 73 82 Ge 0.94004286666081 0.41666666666667 0.46136231968719 72.640 > 73 83 Ge 0.44004286666081 0.75000000000000 0.46136231968719 72.640 > 73 84 Ge 0.94004286666081 0.75000000000000 0.46136231968719 72.640 > 73 85 Ge 0.44004286666081 0.08333333333333 0.79469565302052 72.640 > 73 86 Ge 0.94004286666081 0.08333333333333 0.79469565302052 72.640 > 73 87 Ge 0.44004286666081 0.41666666666667 0.79469565302052 72.640 > 73 88 Ge 0.94004286666081 0.41666666666667 0.79469565302052 72.640 > 73 89 Ge 0.44004286666081 0.75000000000000 0.79469565302052 72.640 > 73 90 Ge 0.94004286666081 0.75000000000000 0.79469565302052 72.640 > 73 91 Ge 0.05995713333919 0.25000000000000 0.20530434697948 72.640 > 91 92 Ge 0.55995713333919 0.25000000000000 0.20530434697948 72.640 > 91 93 Ge 0.05995713333919 0.58333333333333 0.20530434697948 72.640 > 91 94 Ge 0.55995713333919 0.58333333333333 0.20530434697948 72.640 > 91 95 Ge 0.05995713333919 0.91666666666667 0.20530434697948 72.640 > 91 96 Ge 0.55995713333919 0.91666666666667 0.20530434697948 72.640 > 91 97 Ge 0.05995713333919 0.25000000000000 0.53863768031281 72.640 > 91 98 Ge 0.55995713333919 0.25000000000000 0.53863768031281 72.640 > 91 99 Ge 0.05995713333919 0.58333333333333 0.53863768031281 72.640 > 91 100 Ge 0.55995713333919 0.58333333333333 0.53863768031281 72.640 > 91 101 Ge 0.05995713333919 0.91666666666667 0.53863768031281 72.640 > 91 102 Ge 0.55995713333919 0.91666666666667 0.53863768031281 72.640 > 91 103 Ge 0.05995713333919 0.25000000000000 0.87197101364614 72.640 > 91 104 Ge 0.55995713333919 0.25000000000000 0.87197101364614 72.640 > 91 105 Ge 0.05995713333919 0.58333333333333 0.87197101364614 72.640 > 91 106 Ge 0.55995713333919 0.58333333333333 0.87197101364614 72.640 > 91 107 Ge 0.05995713333919 0.91666666666667 0.87197101364614 72.640 > 91 108 Ge 0.55995713333919 0.91666666666667 0.87197101364614 72.640 > 91 109 Ge 0.30995713333919 0.25000000000000 0.29469565302052 72.640 > 109 110 Ge 0.80995713333919 0.25000000000000 0.29469565302052 72.640 > 109 111 Ge 0.30995713333919 0.58333333333333 0.29469565302052 72.640 > 109 112 Ge 0.80995713333919 0.58333333333333 0.29469565302052 72.640 > 109 113 Ge 0.30995713333919 0.91666666666667 0.29469565302052 72.640 > 109 114 Ge 0.80995713333919 0.91666666666667 0.29469565302052 72.640 > 109 115 Ge 0.30995713333919 0.25000000000000 0.62802898635386 72.640 > 109 116 Ge 0.80995713333919 0.25000000000000 0.62802898635386 72.640 > 109 117 Ge 0.30995713333919 0.58333333333333 0.62802898635386 72.640 > 109 118 Ge 0.80995713333919 0.58333333333333 0.62802898635386 72.640 > 109 119 Ge 0.30995713333919 0.91666666666667 0.62802898635386 72.640 > 109 120 Ge 0.80995713333919 0.91666666666667 0.62802898635386 72.640 > 109 121 Ge 0.30995713333919 0.25000000000000 0.96136231968719 72.640 > 109 122 Ge 0.80995713333919 0.25000000000000 0.96136231968719 72.640 > 109 123 Ge 0.30995713333919 0.58333333333333 0.96136231968719 72.640 > 109 124 Ge 0.80995713333919 0.58333333333333 0.96136231968719 72.640 > 109 125 Ge 0.30995713333919 0.91666666666667 0.96136231968719 72.640 > 109 126 Ge 0.80995713333919 0.91666666666667 0.96136231968719 72.640 > 109 127 Ge 0.19004286666081 0.08333333333333 0.03863768031281 72.640 > 127 128 Ge 0.69004286666081 0.08333333333333 0.03863768031281 72.640 > 127 129 Ge 0.19004286666081 0.41666666666667 0.03863768031281 72.640 > 127 130 Ge 0.69004286666081 0.41666666666667 0.03863768031281 72.640 > 127 131 Ge 0.19004286666081 0.75000000000000 0.03863768031281 72.640 > 127 132 Ge 0.69004286666081 0.75000000000000 0.03863768031281 72.640 > 127 133 Ge 0.19004286666081 0.08333333333333 0.37197101364614 72.640 > 127 134 Ge 0.69004286666081 0.08333333333333 0.37197101364614 72.640 > 127 135 Ge 0.19004286666081 0.41666666666667 0.37197101364614 72.640 > 127 136 Ge 0.69004286666081 0.41666666666667 0.37197101364614 72.640 > 127 137 Ge 0.19004286666081 0.75000000000000 0.37197101364614 72.640 > 127 138 Ge 0.69004286666081 0.75000000000000 0.37197101364614 72.640 > 127 139 Ge 0.19004286666081 0.08333333333333 0.70530434697948 72.640 > 127 140 Ge 0.69004286666081 0.08333333333333 0.70530434697948 72.640 > 127 141 Ge 0.19004286666081 0.41666666666667 0.70530434697948 72.640 > 127 142 Ge 0.69004286666081 0.41666666666667 0.70530434697948 72.640 > 127 143 Ge 0.19004286666081 0.75000000000000 0.70530434697948 72.640 > 127 144 Ge 0.69004286666081 0.75000000000000 0.70530434697948 72.640 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 23.3021073 0.0000000 0.0000000 0.0000000 15.6575727 0.0000000 0.0000000 0.0000000 17.2537882 -------------------------- Born effective charges -------------------------- 1 S -3.5743594 0.0000000 1.1850242 0.0000000 -3.5414668 0.0000000 0.7127839 0.0000000 -2.7516146 2 S -3.5743594 0.0000000 1.1850242 0.0000000 -3.5414668 0.0000000 0.7127839 0.0000000 -2.7516146 3 S -3.5743594 0.0000000 -1.1850242 0.0000000 -3.5414668 0.0000000 -0.7127839 0.0000000 -2.7516146 4 S -3.5743594 0.0000000 -1.1850242 0.0000000 -3.5414668 0.0000000 -0.7127839 0.0000000 -2.7516146 5 Ge 3.5743594 0.0000000 0.3246853 0.0000000 3.5414668 0.0000000 -0.6868616 0.0000000 2.7516146 6 Ge 3.5743594 0.0000000 0.3246853 0.0000000 3.5414668 0.0000000 -0.6868616 0.0000000 2.7516146 7 Ge 3.5743594 0.0000000 -0.3246853 0.0000000 3.5414668 0.0000000 0.6868616 0.0000000 2.7516146 8 Ge 3.5743594 0.0000000 -0.3246853 0.0000000 3.5414668 0.0000000 0.6868616 0.0000000 2.7516146 ---------------------------------------------------------------------------- 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[ 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] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xz) -0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:05:28]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:05:29]------------------------- 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 3 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.313676559999999 0.000000000000000 0.000000000000000 b 0.000000000000000 3.669993289999999 0.000000000000000 c 0.000000000000000 0.000000000000000 4.132853400000000 Atomic positions (fractional): 1 S 0.64807098498757 0.25000000000000 0.49837574510566 32.065 2 S 0.35192901501243 0.75000000000000 0.50162425489434 32.065 3 S 0.85192901501243 0.75000000000000 0.99837574510566 32.065 4 S 0.14807098498757 0.25000000000000 0.00162425489434 32.065 5 Ge 0.88008573332161 0.25000000000000 0.38408695906157 72.640 6 Ge 0.11991426667839 0.75000000000000 0.61591304093843 72.640 7 Ge 0.61991426667839 0.75000000000000 0.88408695906157 72.640 8 Ge 0.38008573332161 0.25000000000000 0.11591304093843 72.640 -------------------------------- supercell --------------------------------- Lattice vectors: a 20.627353119999999 0.000000000000000 0.000000000000000 b 0.000000000000000 11.009979869999997 0.000000000000000 c 0.000000000000000 0.000000000000000 12.398560200000000 Atomic positions (fractional): 1 S 0.32403549249378 0.08333333333333 0.16612524836855 32.065 > 1 2 S 0.82403549249378 0.08333333333333 0.16612524836855 32.065 > 1 3 S 0.32403549249378 0.41666666666667 0.16612524836855 32.065 > 1 4 S 0.82403549249378 0.41666666666667 0.16612524836855 32.065 > 1 5 S 0.32403549249378 0.75000000000000 0.16612524836855 32.065 > 1 6 S 0.82403549249378 0.75000000000000 0.16612524836855 32.065 > 1 7 S 0.32403549249378 0.08333333333333 0.49945858170189 32.065 > 1 8 S 0.82403549249378 0.08333333333333 0.49945858170189 32.065 > 1 9 S 0.32403549249378 0.41666666666667 0.49945858170189 32.065 > 1 10 S 0.82403549249378 0.41666666666667 0.49945858170189 32.065 > 1 11 S 0.32403549249378 0.75000000000000 0.49945858170189 32.065 > 1 12 S 0.82403549249378 0.75000000000000 0.49945858170189 32.065 > 1 13 S 0.32403549249378 0.08333333333333 0.83279191503522 32.065 > 1 14 S 0.82403549249378 0.08333333333333 0.83279191503522 32.065 > 1 15 S 0.32403549249378 0.41666666666667 0.83279191503522 32.065 > 1 16 S 0.82403549249378 0.41666666666667 0.83279191503522 32.065 > 1 17 S 0.32403549249378 0.75000000000000 0.83279191503522 32.065 > 1 18 S 0.82403549249378 0.75000000000000 0.83279191503522 32.065 > 1 19 S 0.17596450750622 0.25000000000000 0.16720808496478 32.065 > 19 20 S 0.67596450750622 0.25000000000000 0.16720808496478 32.065 > 19 21 S 0.17596450750622 0.58333333333333 0.16720808496478 32.065 > 19 22 S 0.67596450750622 0.58333333333333 0.16720808496478 32.065 > 19 23 S 0.17596450750622 0.91666666666667 0.16720808496478 32.065 > 19 24 S 0.67596450750622 0.91666666666667 0.16720808496478 32.065 > 19 25 S 0.17596450750622 0.25000000000000 0.50054141829811 32.065 > 19 26 S 0.67596450750622 0.25000000000000 0.50054141829811 32.065 > 19 27 S 0.17596450750622 0.58333333333333 0.50054141829811 32.065 > 19 28 S 0.67596450750622 0.58333333333333 0.50054141829811 32.065 > 19 29 S 0.17596450750622 0.91666666666667 0.50054141829811 32.065 > 19 30 S 0.67596450750622 0.91666666666667 0.50054141829811 32.065 > 19 31 S 0.17596450750622 0.25000000000000 0.83387475163145 32.065 > 19 32 S 0.67596450750622 0.25000000000000 0.83387475163145 32.065 > 19 33 S 0.17596450750622 0.58333333333333 0.83387475163145 32.065 > 19 34 S 0.67596450750622 0.58333333333333 0.83387475163145 32.065 > 19 35 S 0.17596450750622 0.91666666666667 0.83387475163145 32.065 > 19 36 S 0.67596450750622 0.91666666666667 0.83387475163145 32.065 > 19 37 S 0.42596450750622 0.25000000000000 0.33279191503522 32.065 > 37 38 S 0.92596450750622 0.25000000000000 0.33279191503522 32.065 > 37 39 S 0.42596450750622 0.58333333333333 0.33279191503522 32.065 > 37 40 S 0.92596450750622 0.58333333333333 0.33279191503522 32.065 > 37 41 S 0.42596450750622 0.91666666666667 0.33279191503522 32.065 > 37 42 S 0.92596450750622 0.91666666666667 0.33279191503522 32.065 > 37 43 S 0.42596450750622 0.25000000000000 0.66612524836855 32.065 > 37 44 S 0.92596450750622 0.25000000000000 0.66612524836855 32.065 > 37 45 S 0.42596450750622 0.58333333333333 0.66612524836855 32.065 > 37 46 S 0.92596450750622 0.58333333333333 0.66612524836855 32.065 > 37 47 S 0.42596450750622 0.91666666666667 0.66612524836855 32.065 > 37 48 S 0.92596450750622 0.91666666666667 0.66612524836855 32.065 > 37 49 S 0.42596450750622 0.25000000000000 0.99945858170189 32.065 > 37 50 S 0.92596450750622 0.25000000000000 0.99945858170189 32.065 > 37 51 S 0.42596450750622 0.58333333333333 0.99945858170189 32.065 > 37 52 S 0.92596450750622 0.58333333333333 0.99945858170189 32.065 > 37 53 S 0.42596450750622 0.91666666666667 0.99945858170189 32.065 > 37 54 S 0.92596450750622 0.91666666666667 0.99945858170189 32.065 > 37 55 S 0.07403549249378 0.08333333333333 0.00054141829811 32.065 > 55 56 S 0.57403549249378 0.08333333333333 0.00054141829811 32.065 > 55 57 S 0.07403549249378 0.41666666666667 0.00054141829811 32.065 > 55 58 S 0.57403549249378 0.41666666666667 0.00054141829811 32.065 > 55 59 S 0.07403549249378 0.75000000000000 0.00054141829811 32.065 > 55 60 S 0.57403549249378 0.75000000000000 0.00054141829811 32.065 > 55 61 S 0.07403549249378 0.08333333333333 0.33387475163145 32.065 > 55 62 S 0.57403549249378 0.08333333333333 0.33387475163145 32.065 > 55 63 S 0.07403549249378 0.41666666666667 0.33387475163145 32.065 > 55 64 S 0.57403549249378 0.41666666666667 0.33387475163145 32.065 > 55 65 S 0.07403549249378 0.75000000000000 0.33387475163145 32.065 > 55 66 S 0.57403549249378 0.75000000000000 0.33387475163145 32.065 > 55 67 S 0.07403549249378 0.08333333333333 0.66720808496478 32.065 > 55 68 S 0.57403549249378 0.08333333333333 0.66720808496478 32.065 > 55 69 S 0.07403549249378 0.41666666666667 0.66720808496478 32.065 > 55 70 S 0.57403549249378 0.41666666666667 0.66720808496478 32.065 > 55 71 S 0.07403549249378 0.75000000000000 0.66720808496478 32.065 > 55 72 S 0.57403549249378 0.75000000000000 0.66720808496478 32.065 > 55 73 Ge 0.44004286666081 0.08333333333333 0.12802898635386 72.640 > 73 74 Ge 0.94004286666081 0.08333333333333 0.12802898635386 72.640 > 73 75 Ge 0.44004286666081 0.41666666666667 0.12802898635386 72.640 > 73 76 Ge 0.94004286666081 0.41666666666667 0.12802898635386 72.640 > 73 77 Ge 0.44004286666081 0.75000000000000 0.12802898635386 72.640 > 73 78 Ge 0.94004286666081 0.75000000000000 0.12802898635386 72.640 > 73 79 Ge 0.44004286666081 0.08333333333333 0.46136231968719 72.640 > 73 80 Ge 0.94004286666081 0.08333333333333 0.46136231968719 72.640 > 73 81 Ge 0.44004286666081 0.41666666666667 0.46136231968719 72.640 > 73 82 Ge 0.94004286666081 0.41666666666667 0.46136231968719 72.640 > 73 83 Ge 0.44004286666081 0.75000000000000 0.46136231968719 72.640 > 73 84 Ge 0.94004286666081 0.75000000000000 0.46136231968719 72.640 > 73 85 Ge 0.44004286666081 0.08333333333333 0.79469565302052 72.640 > 73 86 Ge 0.94004286666081 0.08333333333333 0.79469565302052 72.640 > 73 87 Ge 0.44004286666081 0.41666666666667 0.79469565302052 72.640 > 73 88 Ge 0.94004286666081 0.41666666666667 0.79469565302052 72.640 > 73 89 Ge 0.44004286666081 0.75000000000000 0.79469565302052 72.640 > 73 90 Ge 0.94004286666081 0.75000000000000 0.79469565302052 72.640 > 73 91 Ge 0.05995713333919 0.25000000000000 0.20530434697948 72.640 > 91 92 Ge 0.55995713333919 0.25000000000000 0.20530434697948 72.640 > 91 93 Ge 0.05995713333919 0.58333333333333 0.20530434697948 72.640 > 91 94 Ge 0.55995713333919 0.58333333333333 0.20530434697948 72.640 > 91 95 Ge 0.05995713333919 0.91666666666667 0.20530434697948 72.640 > 91 96 Ge 0.55995713333919 0.91666666666667 0.20530434697948 72.640 > 91 97 Ge 0.05995713333919 0.25000000000000 0.53863768031281 72.640 > 91 98 Ge 0.55995713333919 0.25000000000000 0.53863768031281 72.640 > 91 99 Ge 0.05995713333919 0.58333333333333 0.53863768031281 72.640 > 91 100 Ge 0.55995713333919 0.58333333333333 0.53863768031281 72.640 > 91 101 Ge 0.05995713333919 0.91666666666667 0.53863768031281 72.640 > 91 102 Ge 0.55995713333919 0.91666666666667 0.53863768031281 72.640 > 91 103 Ge 0.05995713333919 0.25000000000000 0.87197101364614 72.640 > 91 104 Ge 0.55995713333919 0.25000000000000 0.87197101364614 72.640 > 91 105 Ge 0.05995713333919 0.58333333333333 0.87197101364614 72.640 > 91 106 Ge 0.55995713333919 0.58333333333333 0.87197101364614 72.640 > 91 107 Ge 0.05995713333919 0.91666666666667 0.87197101364614 72.640 > 91 108 Ge 0.55995713333919 0.91666666666667 0.87197101364614 72.640 > 91 109 Ge 0.30995713333919 0.25000000000000 0.29469565302052 72.640 > 109 110 Ge 0.80995713333919 0.25000000000000 0.29469565302052 72.640 > 109 111 Ge 0.30995713333919 0.58333333333333 0.29469565302052 72.640 > 109 112 Ge 0.80995713333919 0.58333333333333 0.29469565302052 72.640 > 109 113 Ge 0.30995713333919 0.91666666666667 0.29469565302052 72.640 > 109 114 Ge 0.80995713333919 0.91666666666667 0.29469565302052 72.640 > 109 115 Ge 0.30995713333919 0.25000000000000 0.62802898635386 72.640 > 109 116 Ge 0.80995713333919 0.25000000000000 0.62802898635386 72.640 > 109 117 Ge 0.30995713333919 0.58333333333333 0.62802898635386 72.640 > 109 118 Ge 0.80995713333919 0.58333333333333 0.62802898635386 72.640 > 109 119 Ge 0.30995713333919 0.91666666666667 0.62802898635386 72.640 > 109 120 Ge 0.80995713333919 0.91666666666667 0.62802898635386 72.640 > 109 121 Ge 0.30995713333919 0.25000000000000 0.96136231968719 72.640 > 109 122 Ge 0.80995713333919 0.25000000000000 0.96136231968719 72.640 > 109 123 Ge 0.30995713333919 0.58333333333333 0.96136231968719 72.640 > 109 124 Ge 0.80995713333919 0.58333333333333 0.96136231968719 72.640 > 109 125 Ge 0.30995713333919 0.91666666666667 0.96136231968719 72.640 > 109 126 Ge 0.80995713333919 0.91666666666667 0.96136231968719 72.640 > 109 127 Ge 0.19004286666081 0.08333333333333 0.03863768031281 72.640 > 127 128 Ge 0.69004286666081 0.08333333333333 0.03863768031281 72.640 > 127 129 Ge 0.19004286666081 0.41666666666667 0.03863768031281 72.640 > 127 130 Ge 0.69004286666081 0.41666666666667 0.03863768031281 72.640 > 127 131 Ge 0.19004286666081 0.75000000000000 0.03863768031281 72.640 > 127 132 Ge 0.69004286666081 0.75000000000000 0.03863768031281 72.640 > 127 133 Ge 0.19004286666081 0.08333333333333 0.37197101364614 72.640 > 127 134 Ge 0.69004286666081 0.08333333333333 0.37197101364614 72.640 > 127 135 Ge 0.19004286666081 0.41666666666667 0.37197101364614 72.640 > 127 136 Ge 0.69004286666081 0.41666666666667 0.37197101364614 72.640 > 127 137 Ge 0.19004286666081 0.75000000000000 0.37197101364614 72.640 > 127 138 Ge 0.69004286666081 0.75000000000000 0.37197101364614 72.640 > 127 139 Ge 0.19004286666081 0.08333333333333 0.70530434697948 72.640 > 127 140 Ge 0.69004286666081 0.08333333333333 0.70530434697948 72.640 > 127 141 Ge 0.19004286666081 0.41666666666667 0.70530434697948 72.640 > 127 142 Ge 0.69004286666081 0.41666666666667 0.70530434697948 72.640 > 127 143 Ge 0.19004286666081 0.75000000000000 0.70530434697948 72.640 > 127 144 Ge 0.69004286666081 0.75000000000000 0.70530434697948 72.640 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 23.3021073 0.0000000 0.0000000 0.0000000 15.6575727 0.0000000 0.0000000 0.0000000 17.2537882 -------------------------- Born effective charges -------------------------- 1 S -3.5743594 0.0000000 1.1850242 0.0000000 -3.5414668 0.0000000 0.7127839 0.0000000 -2.7516146 2 S -3.5743594 0.0000000 1.1850242 0.0000000 -3.5414668 0.0000000 0.7127839 0.0000000 -2.7516146 3 S -3.5743594 0.0000000 -1.1850242 0.0000000 -3.5414668 0.0000000 -0.7127839 0.0000000 -2.7516146 4 S -3.5743594 0.0000000 -1.1850242 0.0000000 -3.5414668 0.0000000 -0.7127839 0.0000000 -2.7516146 5 Ge 3.5743594 0.0000000 0.3246853 0.0000000 3.5414668 0.0000000 -0.6868616 0.0000000 2.7516146 6 Ge 3.5743594 0.0000000 0.3246853 0.0000000 3.5414668 0.0000000 -0.6868616 0.0000000 2.7516146 7 Ge 3.5743594 0.0000000 -0.3246853 0.0000000 3.5414668 0.0000000 0.6868616 0.0000000 2.7516146 8 Ge 3.5743594 0.0000000 -0.3246853 0.0000000 3.5414668 0.0000000 0.6868616 0.0000000 2.7516146 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) 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 ... [ 5 14 12 ] 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: 0.77, Number of G-points: 301, Lambda: 0.35 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/168) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.575 ( 0.000 0.000 0.000) 0.000 1.634 ( 0.000 0.000 0.000) 0.000 2.279 ( 0.000 0.000 0.000) 0.000 2.505 ( 0.000 0.000 0.000) 0.000 2.640 ( 0.000 0.000 0.000) 0.000 3.005 ( 0.000 0.000 0.000) 0.000 3.092 ( 0.000 0.000 0.000) 0.000 3.190 ( 0.000 0.000 0.000) 0.000 3.706 ( 0.000 0.000 0.000) 0.000 5.718 ( 0.000 0.000 0.000) 0.000 6.091 ( 0.000 0.000 0.000) 0.000 6.658 ( 0.000 0.000 0.000) 0.000 6.849 ( 0.000 0.000 0.000) 0.000 6.949 ( 0.000 0.000 0.000) 0.000 7.222 ( 0.000 0.000 0.000) 0.000 7.269 ( 0.000 0.000 0.000) 0.000 7.441 ( 0.000 0.000 0.000) 0.000 7.849 ( 0.000 0.000 0.000) 0.000 8.137 ( 0.000 0.000 0.000) 0.000 8.158 ( 0.000 0.000 0.000) 0.000 9.438 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/168) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.505 ( 25.061 0.000 0.000) 25.061 0.507 ( 25.136 0.000 0.000) 25.136 0.694 ( 35.623 0.000 0.000) 35.623 1.512 ( -6.735 0.000 0.000) 6.735 1.548 ( -8.563 0.000 0.000) 8.563 2.182 ( -10.125 0.000 0.000) 10.125 2.531 ( 2.406 0.000 0.000) 2.406 2.636 ( -0.417 0.000 0.000) 0.417 3.105 ( 3.424 0.000 0.000) 3.424 3.148 ( 5.854 0.000 0.000) 5.854 3.194 ( 0.347 0.000 0.000) 0.347 3.651 ( -5.505 0.000 0.000) 5.505 5.758 ( 3.863 0.000 0.000) 3.863 6.058 ( -3.290 0.000 0.000) 3.290 6.877 ( 2.969 0.000 0.000) 2.969 6.984 ( 3.438 0.000 0.000) 3.438 7.178 ( -4.058 0.000 0.000) 4.058 7.242 ( -2.720 0.000 0.000) 2.720 7.483 ( 4.196 0.000 0.000) 4.196 7.790 ( -2.680 0.000 0.000) 2.680 7.914 ( 6.735 0.000 0.000) 6.735 8.156 ( -0.571 0.000 0.000) 0.571 9.022 ( 10.898 0.000 0.000) 10.898 9.464 ( 1.697 0.000 0.000) 1.697 ======================= Grid point 2 (3/168) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.954 ( 20.785 0.000 0.000) 20.785 0.958 ( 21.027 0.000 0.000) 21.027 1.277 ( -3.839 0.000 0.000) 3.839 1.313 ( -15.404 0.000 0.000) 15.404 1.383 ( 20.796 0.000 0.000) 20.796 1.879 ( -21.288 0.000 0.000) 21.288 2.582 ( 2.480 0.000 0.000) 2.480 2.620 ( -1.355 0.000 0.000) 1.355 3.169 ( 2.600 0.000 0.000) 2.600 3.197 ( -0.367 0.000 0.000) 0.367 3.308 ( 9.932 0.000 0.000) 9.932 3.503 ( -9.415 0.000 0.000) 9.415 5.856 ( 5.881 0.000 0.000) 5.881 5.970 ( -5.512 0.000 0.000) 5.512 6.963 ( 5.575 0.000 0.000) 5.575 7.070 ( 5.119 0.000 0.000) 5.119 7.079 ( -5.927 0.000 0.000) 5.927 7.169 ( -4.691 0.000 0.000) 4.691 7.590 ( 6.325 0.000 0.000) 6.325 7.708 ( -5.462 0.000 0.000) 5.462 8.042 ( 5.630 0.000 0.000) 5.630 8.124 ( -2.870 0.000 0.000) 2.870 9.273 ( 12.808 0.000 0.000) 12.808 9.449 ( -4.539 0.000 0.000) 4.539 ======================= Grid point 5 (4/168) ======================= q-point: ( 0.00 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.433 ( 0.000 23.210 0.000) 23.210 0.513 ( 0.000 26.552 0.000) 26.552 0.923 ( 0.000 46.676 0.000) 46.676 1.626 ( 0.000 5.130 0.000) 5.130 1.795 ( 0.000 15.390 0.000) 15.390 2.013 ( 0.000 -14.270 0.000) 14.270 2.793 ( 0.000 14.744 0.000) 14.744 2.873 ( 0.000 24.608 0.000) 24.608 3.007 ( 0.000 0.433 0.000) 0.433 3.104 ( 0.000 1.265 0.000) 1.265 3.152 ( 0.000 -2.949 0.000) 2.949 3.681 ( 0.000 -2.334 0.000) 2.334 6.290 ( 0.000 18.967 0.000) 18.967 6.648 ( 0.000 -0.780 0.000) 0.780 6.856 ( 0.000 0.781 0.000) 0.781 6.952 ( 0.000 0.175 0.000) 0.175 7.206 ( 0.000 -1.575 0.000) 1.575 7.331 ( 0.000 5.978 0.000) 5.978 7.453 ( 0.000 1.346 0.000) 1.346 7.801 ( 0.000 -4.563 0.000) 4.563 8.098 ( 0.000 -3.891 0.000) 3.891 8.132 ( 0.000 -2.721 0.000) 2.721 8.616 ( 0.000 4.418 0.000) 4.418 9.392 ( 0.000 -4.546 0.000) 4.546 ======================= Grid point 6 (5/168) ======================= q-point: ( 0.20 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.643 ( 19.340 13.140 0.000) 23.381 0.691 ( 15.249 17.038 0.000) 22.866 1.128 ( 17.313 34.917 0.000) 38.974 1.473 ( -8.346 2.627 0.000) 8.749 1.683 ( -10.314 10.218 0.000) 14.518 2.003 ( -2.557 -6.691 0.000) 7.163 2.803 ( 0.395 15.467 0.000) 15.472 2.854 ( -1.647 23.709 0.000) 23.767 3.092 ( 0.725 -0.248 0.000) 0.766 3.116 ( 8.141 -1.042 0.000) 8.207 3.156 ( 0.304 -2.857 0.000) 2.874 3.628 ( -5.320 -2.159 0.000) 5.741 6.257 ( -16.113 27.967 0.000) 32.276 6.262 ( -2.815 19.154 0.000) 19.360 6.867 ( 1.932 -0.611 0.000) 2.027 7.004 ( 4.483 1.706 0.000) 4.797 7.159 ( -5.228 -0.864 0.000) 5.299 7.255 ( -2.236 1.715 0.000) 2.818 7.502 ( 4.821 1.921 0.000) 5.189 7.855 ( 0.714 -0.282 0.000) 0.767 7.951 ( -1.835 7.001 0.000) 7.237 8.127 ( -0.762 -2.940 0.000) 3.037 8.876 ( 15.795 -10.177 0.000) 18.789 9.411 ( 1.034 -5.215 0.000) 5.316 ======================= Grid point 7 (6/168) ======================= q-point: ( 0.40 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.003 ( 15.411 6.367 0.000) 16.675 1.055 ( 20.569 6.534 0.000) 21.582 1.260 ( -8.850 0.417 0.000) 8.860 1.424 ( -16.075 6.976 0.000) 17.524 1.551 ( 18.416 19.795 0.000) 27.037 1.866 ( -12.149 5.081 0.000) 13.169 2.808 ( 0.365 17.437 0.000) 17.441 2.823 ( -1.271 20.733 0.000) 20.772 3.125 ( 2.209 -2.643 0.000) 3.445 3.155 ( -0.674 -3.004 0.000) 3.079 3.296 ( 9.901 -1.115 0.000) 9.964 3.485 ( -9.058 -1.658 0.000) 9.208 6.139 ( 0.441 23.341 0.000) 23.345 6.192 ( -3.878 20.076 0.000) 20.448 6.939 ( 5.118 -1.420 0.000) 5.311 7.049 ( -5.907 -1.649 0.000) 6.133 7.102 ( 5.221 2.414 0.000) 5.752 7.195 ( -4.155 1.969 0.000) 4.598 7.625 ( 7.346 3.397 0.000) 8.093 7.766 ( -6.768 5.010 0.000) 8.420 8.021 ( 4.728 -1.789 0.000) 5.055 8.094 ( -2.725 -2.932 0.000) 4.003 9.182 ( 14.374 -8.387 0.000) 16.642 9.380 ( -5.481 -6.691 0.000) 8.649 ======================= Grid point 10 (7/168) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.901 ( 0.000 24.421 0.000) 24.421 1.029 ( 0.000 26.198 0.000) 26.198 1.738 ( 0.000 16.618 0.000) 16.618 1.818 ( 0.000 -5.274 0.000) 5.274 1.830 ( 0.000 35.512 0.000) 35.512 2.163 ( 0.000 20.448 0.000) 20.448 3.006 ( 0.000 1.502 0.000) 1.502 3.128 ( 0.000 1.835 0.000) 1.835 3.141 ( 0.000 2.564 0.000) 2.564 3.180 ( 0.000 21.673 0.000) 21.673 3.346 ( 0.000 21.031 0.000) 21.031 3.647 ( 0.000 1.493 0.000) 1.493 6.636 ( 0.000 -0.293 0.000) 0.293 6.735 ( 0.000 23.662 0.000) 23.662 6.888 ( 0.000 3.040 0.000) 3.040 6.950 ( 0.000 -0.414 0.000) 0.414 7.162 ( 0.000 -2.847 0.000) 2.847 7.482 ( 0.000 9.018 0.000) 9.018 7.504 ( 0.000 4.471 0.000) 4.471 7.690 ( 0.000 -6.415 0.000) 6.415 7.996 ( 0.000 -6.229 0.000) 6.229 8.050 ( 0.000 -5.865 0.000) 5.865 8.718 ( 0.000 5.489 0.000) 5.489 9.276 ( 0.000 -6.950 0.000) 6.950 ======================= Grid point 11 (8/168) ======================= q-point: ( 0.20 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.982 ( 8.674 20.468 0.000) 22.230 1.094 ( 6.070 22.971 0.000) 23.760 1.583 ( -12.208 12.239 0.000) 17.287 1.724 ( -8.957 -1.730 0.000) 9.123 1.912 ( 7.950 38.280 0.000) 39.097 2.182 ( 1.055 19.298 0.000) 19.327 3.078 ( 1.872 4.325 0.000) 4.712 3.108 ( 3.788 0.659 0.000) 3.845 3.131 ( 0.054 1.914 0.000) 1.915 3.222 ( 2.035 20.059 0.000) 20.162 3.326 ( -1.967 21.108 0.000) 21.199 3.597 ( -4.996 1.628 0.000) 5.254 6.573 ( -4.252 7.252 0.000) 8.406 6.689 ( -4.512 20.449 0.000) 20.941 6.874 ( 1.749 2.306 0.000) 2.894 7.046 ( 6.242 3.179 0.000) 7.005 7.137 ( -3.412 -1.849 0.000) 3.881 7.342 ( -6.376 6.860 0.000) 9.365 7.563 ( 5.840 4.697 0.000) 7.495 7.804 ( 4.977 -3.360 0.000) 6.006 8.034 ( 0.845 -0.827 0.000) 1.182 8.043 ( -0.745 -5.662 0.000) 5.711 8.764 ( 7.802 -0.454 0.000) 7.815 9.279 ( -0.451 -7.832 0.000) 7.845 ======================= Grid point 12 (9/168) ======================= q-point: ( 0.40 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.218 ( 14.261 11.385 0.000) 18.248 1.233 ( 7.538 16.716 0.000) 18.337 1.384 ( -8.033 12.407 0.000) 14.780 1.500 ( -13.523 3.665 0.000) 14.011 2.073 ( 7.417 30.449 0.000) 31.340 2.172 ( -2.587 22.352 0.000) 22.501 3.088 ( 1.530 2.893 0.000) 3.273 3.120 ( -1.285 2.020 0.000) 2.394 3.228 ( 3.336 12.982 0.000) 13.404 3.278 ( -2.627 20.469 0.000) 20.637 3.294 ( 7.734 8.591 0.000) 11.559 3.463 ( -8.437 2.258 0.000) 8.734 6.538 ( 0.966 14.278 0.000) 14.311 6.596 ( -4.414 16.970 0.000) 17.534 6.944 ( 4.757 2.809 0.000) 5.525 7.044 ( -5.372 1.016 0.000) 5.467 7.160 ( 5.414 4.341 0.000) 6.939 7.254 ( -4.194 4.881 0.000) 6.435 7.708 ( 8.299 4.711 0.000) 9.543 7.834 ( -2.869 0.042 0.000) 2.869 8.007 ( -1.103 1.265 0.000) 1.679 8.020 ( -1.453 -4.250 0.000) 4.492 9.006 ( 14.003 -8.040 0.000) 16.147 9.217 ( -6.833 -9.136 0.000) 11.408 ======================= Grid point 15 (10/168) ======================= q-point: ( 0.00 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.364 ( 0.000 22.642 0.000) 22.642 1.516 ( 0.000 23.317 0.000) 23.317 1.806 ( 0.000 3.575 0.000) 3.575 1.938 ( 0.000 9.830 0.000) 9.830 2.519 ( 0.000 14.889 0.000) 14.889 2.608 ( 0.000 37.663 0.000) 37.663 3.041 ( 0.000 2.556 0.000) 2.556 3.204 ( 0.000 3.985 0.000) 3.985 3.265 ( 0.000 12.601 0.000) 12.601 3.487 ( 0.000 -1.177 0.000) 1.177 3.620 ( 0.000 22.139 0.000) 22.139 3.933 ( 0.000 22.181 0.000) 22.181 6.638 ( 0.000 0.413 0.000) 0.413 6.937 ( 0.000 -0.727 0.000) 0.727 6.955 ( 0.000 5.580 0.000) 5.580 7.101 ( 0.000 -3.241 0.000) 3.241 7.123 ( 0.000 12.186 0.000) 12.186 7.564 ( 0.000 -6.320 0.000) 6.320 7.661 ( 0.000 8.535 0.000) 8.535 7.674 ( 0.000 13.982 0.000) 13.982 7.876 ( 0.000 -5.053 0.000) 5.053 7.905 ( 0.000 -8.839 0.000) 8.839 8.810 ( 0.000 3.637 0.000) 3.637 9.137 ( 0.000 -7.057 0.000) 7.057 ======================= Grid point 16 (11/168) ======================= q-point: ( 0.20 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.396 ( 3.431 21.140 0.000) 21.416 1.541 ( 2.419 22.018 0.000) 22.151 1.758 ( -4.763 5.580 0.000) 7.336 1.834 ( -8.564 13.100 0.000) 15.651 2.540 ( 2.067 15.468 0.000) 15.605 2.632 ( 1.688 34.134 0.000) 34.176 3.112 ( 6.451 1.892 0.000) 6.723 3.173 ( -1.610 5.288 0.000) 5.528 3.262 ( -0.504 12.020 0.000) 12.030 3.463 ( -2.535 -0.787 0.000) 2.654 3.659 ( 3.121 22.392 0.000) 22.609 3.897 ( -3.463 22.642 0.000) 22.906 6.645 ( 1.107 1.644 0.000) 1.982 6.860 ( -4.504 2.209 0.000) 5.017 6.999 ( 1.655 5.447 0.000) 5.693 7.093 ( -1.024 -2.372 0.000) 2.583 7.184 ( 5.339 9.197 0.000) 10.635 7.457 ( -5.061 3.234 0.000) 6.006 7.710 ( 3.442 10.193 0.000) 10.759 7.753 ( 2.981 -1.620 0.000) 3.393 7.917 ( 1.399 -6.091 0.000) 6.250 7.964 ( 7.276 -3.836 0.000) 8.226 8.812 ( 1.497 3.595 0.000) 3.894 9.127 ( -1.516 -7.426 0.000) 7.580 ======================= Grid point 17 (12/168) ======================= q-point: ( 0.40 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.495 ( 6.573 16.335 0.000) 17.608 1.599 ( 3.093 18.487 0.000) 18.744 1.637 ( -6.858 11.380 0.000) 13.287 1.687 ( -5.797 16.994 0.000) 17.955 2.591 ( 2.917 18.330 0.000) 18.561 2.638 ( -1.398 25.285 0.000) 25.324 3.181 ( 2.450 7.954 0.000) 8.323 3.235 ( -2.401 10.455 0.000) 10.727 3.258 ( 7.618 1.377 0.000) 7.741 3.387 ( -5.389 0.226 0.000) 5.394 3.725 ( 3.828 23.413 0.000) 23.724 3.812 ( -4.880 23.510 0.000) 24.011 6.691 ( 3.613 3.414 0.000) 4.971 6.773 ( -4.478 3.569 0.000) 5.726 7.028 ( 1.581 3.949 0.000) 4.254 7.062 ( -1.896 0.585 0.000) 1.984 7.292 ( 5.180 7.551 0.000) 9.157 7.378 ( -3.853 6.159 0.000) 7.265 7.774 ( 2.084 0.090 0.000) 2.086 7.783 ( 0.700 -3.957 0.000) 4.018 7.970 ( 4.137 1.334 0.000) 4.347 8.036 ( -0.880 0.981 0.000) 1.318 8.909 ( 7.934 -1.909 0.000) 8.160 9.057 ( -6.004 -6.768 0.000) 9.047 ======================= Grid point 20 (13/168) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.765 ( 0.000 18.274 0.000) 18.274 1.918 ( 0.000 17.601 0.000) 17.601 1.931 ( 0.000 8.476 0.000) 8.476 2.122 ( 0.000 8.682 0.000) 8.682 2.748 ( 0.000 9.707 0.000) 9.707 3.112 ( 0.000 4.889 0.000) 4.889 3.225 ( 0.000 17.959 0.000) 17.959 3.331 ( 0.000 16.348 0.000) 16.348 3.458 ( 0.000 -1.320 0.000) 1.320 3.587 ( 0.000 18.904 0.000) 18.904 4.003 ( 0.000 16.386 0.000) 16.386 4.328 ( 0.000 17.029 0.000) 17.029 6.657 ( 0.000 1.807 0.000) 1.807 6.937 ( 0.000 1.127 0.000) 1.127 7.048 ( 0.000 -1.817 0.000) 1.817 7.094 ( 0.000 8.702 0.000) 8.702 7.241 ( 0.000 1.859 0.000) 1.859 7.449 ( 0.000 -5.537 0.000) 5.537 7.708 ( 0.000 -3.837 0.000) 3.837 7.723 ( 0.000 -9.199 0.000) 9.199 7.908 ( 0.000 8.401 0.000) 8.401 7.992 ( 0.000 16.246 0.000) 16.246 8.847 ( 0.000 -0.042 0.000) 0.042 9.002 ( 0.000 -7.048 0.000) 7.048 ======================= Grid point 21 (14/168) ======================= q-point: ( 0.20 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.779 ( 1.442 17.762 0.000) 17.820 1.889 ( -1.533 11.849 0.000) 11.948 1.955 ( 0.934 15.197 0.000) 15.225 2.073 ( -4.158 11.005 0.000) 11.764 2.776 ( 2.942 9.847 0.000) 10.277 3.108 ( -3.354 9.578 0.000) 10.149 3.204 ( 0.900 8.121 0.000) 8.170 3.378 ( 4.681 19.899 0.000) 20.443 3.431 ( -2.554 -0.157 0.000) 2.559 3.589 ( -0.162 18.082 0.000) 18.083 4.048 ( 3.881 16.679 0.000) 17.124 4.299 ( -2.906 17.315 0.000) 17.557 6.673 ( 1.980 1.957 0.000) 2.784 6.898 ( -3.260 2.326 0.000) 4.005 7.057 ( 0.808 -1.045 0.000) 1.321 7.107 ( 0.349 6.784 0.000) 6.793 7.283 ( 4.222 1.359 0.000) 4.436 7.449 ( -0.004 -3.163 0.000) 3.163 7.703 ( -0.421 -4.102 0.000) 4.124 7.711 ( -0.866 -7.542 0.000) 7.592 7.975 ( 5.788 5.263 0.000) 7.824 8.027 ( 3.094 13.411 0.000) 13.763 8.859 ( 1.238 0.626 0.000) 1.387 8.992 ( -1.083 -6.545 0.000) 6.634 ======================= Grid point 22 (15/168) ======================= q-point: ( 0.40 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.818 ( 2.364 16.018 0.000) 16.191 1.860 ( -1.741 12.880 0.000) 12.997 1.967 ( 0.691 16.276 0.000) 16.291 1.999 ( -2.859 14.337 0.000) 14.619 2.860 ( 5.643 10.418 0.000) 11.848 2.988 ( -7.158 11.354 0.000) 13.422 3.274 ( 4.762 2.897 0.000) 5.574 3.364 ( -4.244 1.329 0.000) 4.447 3.484 ( 5.417 19.387 0.000) 20.130 3.565 ( -2.644 18.051 0.000) 18.244 4.132 ( 4.610 17.496 0.000) 18.093 4.223 ( -4.603 17.742 0.000) 18.329 6.737 ( 4.279 2.323 0.000) 4.869 6.824 ( -4.342 2.700 0.000) 5.113 7.076 ( 1.120 1.166 0.000) 1.617 7.098 ( -1.026 3.952 0.000) 4.083 7.376 ( 4.466 0.858 0.000) 4.547 7.437 ( -1.689 -0.361 0.000) 1.727 7.697 ( -0.162 -4.832 0.000) 4.834 7.699 ( -0.369 -5.862 0.000) 5.873 8.075 ( 3.241 3.760 0.000) 4.964 8.084 ( 1.930 8.070 0.000) 8.298 8.898 ( 2.747 -0.428 0.000) 2.780 8.955 ( -2.729 -4.185 0.000) 4.996 ======================= Grid point 25 (16/168) ======================= q-point: ( 0.00 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.066 ( 0.000 12.589 0.000) 12.589 2.106 ( 0.000 8.876 0.000) 8.876 2.190 ( 0.000 10.275 0.000) 10.275 2.265 ( 0.000 5.881 0.000) 5.881 2.932 ( 0.000 9.630 0.000) 9.630 3.228 ( 0.000 6.680 0.000) 6.680 3.366 ( 0.000 4.764 0.000) 4.764 3.435 ( 0.000 -1.360 0.000) 1.360 3.764 ( 0.000 19.429 0.000) 19.429 3.949 ( 0.000 17.495 0.000) 17.495 4.235 ( 0.000 7.177 0.000) 7.177 4.563 ( 0.000 6.697 0.000) 6.697 6.720 ( 0.000 4.961 0.000) 4.961 6.989 ( 0.000 4.096 0.000) 4.096 7.041 ( 0.000 1.127 0.000) 1.127 7.225 ( 0.000 -0.546 0.000) 0.546 7.300 ( 0.000 9.488 0.000) 9.488 7.349 ( 0.000 -4.612 0.000) 4.612 7.576 ( 0.000 -5.076 0.000) 5.076 7.615 ( 0.000 -5.357 0.000) 5.357 8.095 ( 0.000 10.182 0.000) 10.182 8.252 ( 0.000 10.138 0.000) 10.138 8.805 ( 0.000 -4.357 0.000) 4.357 8.855 ( 0.000 -8.167 0.000) 8.167 ======================= Grid point 26 (17/168) ======================= q-point: ( 0.20 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.075 ( 0.899 12.495 0.000) 12.527 2.096 ( -0.341 9.875 0.000) 9.881 2.212 ( 1.319 10.008 0.000) 10.094 2.251 ( -1.249 7.165 0.000) 7.273 2.960 ( 2.894 9.470 0.000) 9.903 3.232 ( -0.558 6.023 0.000) 6.048 3.336 ( -2.037 5.587 0.000) 5.947 3.424 ( -1.159 -0.642 0.000) 1.324 3.790 ( 2.781 18.772 0.000) 18.976 3.944 ( -0.640 17.230 0.000) 17.242 4.284 ( 4.401 7.300 0.000) 8.524 4.540 ( -2.362 7.024 0.000) 7.410 6.740 ( 2.172 5.090 0.000) 5.534 6.966 ( -2.393 4.639 0.000) 5.219 7.062 ( 2.042 1.566 0.000) 2.573 7.258 ( -0.280 5.460 0.000) 5.467 7.273 ( 0.880 0.892 0.000) 1.253 7.368 ( 1.546 -4.577 0.000) 4.831 7.584 ( 0.609 -4.520 0.000) 4.561 7.612 ( -0.305 -5.102 0.000) 5.111 8.121 ( 2.546 8.914 0.000) 9.271 8.252 ( -0.224 9.083 0.000) 9.086 8.826 ( 1.822 -4.097 0.000) 4.484 8.861 ( 0.499 -7.273 0.000) 7.290 ======================= Grid point 27 (18/168) ======================= q-point: ( 0.40 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.096 ( 0.910 12.152 0.000) 12.186 2.100 ( 0.386 11.198 0.000) 11.205 2.224 ( 0.015 9.941 0.000) 9.941 2.228 ( -0.798 9.089 0.000) 9.124 3.043 ( 5.493 8.909 0.000) 10.466 3.160 ( -6.008 7.582 0.000) 9.674 3.342 ( 2.207 3.763 0.000) 4.363 3.390 ( -2.285 1.228 0.000) 2.594 3.859 ( 3.759 17.552 0.000) 17.950 3.918 ( -2.159 17.008 0.000) 17.144 4.380 ( 5.117 7.663 0.000) 9.214 4.474 ( -4.305 7.592 0.000) 8.727 6.807 ( 4.567 5.221 0.000) 6.937 6.899 ( -4.391 5.197 0.000) 6.803 7.116 ( 3.456 3.000 0.000) 4.576 7.190 ( -4.037 5.421 0.000) 6.759 7.346 ( 3.558 -3.335 0.000) 4.877 7.385 ( -0.339 -4.203 0.000) 4.217 7.595 ( 0.478 -4.303 0.000) 4.330 7.604 ( -0.468 -4.620 0.000) 4.643 8.182 ( 3.325 7.006 0.000) 7.756 8.234 ( -1.804 7.179 0.000) 7.403 8.858 ( 1.210 -4.092 0.000) 4.268 8.868 ( 0.101 -5.345 0.000) 5.346 ======================= Grid point 30 (19/168) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.256 ( 0.000 7.025 0.000) 7.025 2.257 ( 0.000 6.201 0.000) 6.201 2.323 ( 0.000 3.543 0.000) 3.543 2.344 ( 0.000 2.117 0.000) 2.117 3.121 ( 0.000 9.481 0.000) 9.481 3.356 ( 0.000 5.977 0.000) 5.977 3.390 ( 0.000 -3.608 0.000) 3.608 3.438 ( 0.000 2.252 0.000) 2.252 4.056 ( 0.000 11.075 0.000) 11.075 4.252 ( 0.000 13.527 0.000) 13.527 4.290 ( 0.000 -1.031 0.000) 1.031 4.594 ( 0.000 -2.919 0.000) 2.919 6.846 ( 0.000 7.525 0.000) 7.525 7.065 ( 0.000 -0.318 0.000) 0.318 7.071 ( 0.000 3.631 0.000) 3.631 7.183 ( 0.000 -2.743 0.000) 2.743 7.291 ( 0.000 -0.096 0.000) 0.096 7.483 ( 0.000 7.736 0.000) 7.736 7.498 ( 0.000 -6.645 0.000) 6.645 7.541 ( 0.000 1.091 0.000) 1.091 8.298 ( 0.000 10.605 0.000) 10.605 8.400 ( 0.000 5.912 0.000) 5.912 8.682 ( 0.000 -8.041 0.000) 8.041 8.685 ( 0.000 -8.999 0.000) 8.999 ======================= Grid point 31 (20/168) ======================= q-point: ( 0.20 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.261 ( 0.678 6.750 0.000) 6.784 2.265 ( 0.855 7.043 0.000) 7.095 2.340 ( 1.240 3.348 0.000) 3.571 2.347 ( 0.213 2.633 0.000) 2.641 3.144 ( 2.365 9.147 0.000) 9.448 3.349 ( -1.117 5.484 0.000) 5.597 3.393 ( 0.243 -2.920 0.000) 2.930 3.419 ( -1.574 2.599 0.000) 3.038 4.082 ( 2.674 11.563 0.000) 11.868 4.242 ( -1.070 13.304 0.000) 13.347 4.338 ( 4.375 -1.300 0.000) 4.564 4.577 ( -1.829 -2.682 0.000) 3.246 6.868 ( 2.331 7.659 0.000) 8.006 7.061 ( -1.155 4.615 0.000) 4.758 7.093 ( 2.794 -0.116 0.000) 2.797 7.210 ( 2.471 -3.470 0.000) 4.260 7.303 ( 0.989 -0.580 0.000) 1.146 7.418 ( -5.314 6.919 0.000) 8.724 7.502 ( 0.307 -6.315 0.000) 6.322 7.546 ( -0.453 -0.174 0.000) 0.485 8.311 ( 1.276 10.400 0.000) 10.478 8.395 ( -0.544 6.501 0.000) 6.524 8.703 ( 1.822 -8.261 0.000) 8.459 8.704 ( 1.672 -8.691 0.000) 8.850 ======================= Grid point 32 (21/168) ======================= q-point: ( 0.40 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.280 ( 0.886 7.043 0.000) 7.099 2.283 ( 0.662 6.983 0.000) 7.015 2.351 ( 0.196 3.515 0.000) 3.520 2.354 ( 0.093 3.578 0.000) 3.579 3.210 ( 4.231 8.000 0.000) 9.050 3.296 ( -4.146 6.200 0.000) 7.459 3.397 ( 0.121 -0.974 0.000) 0.982 3.399 ( -0.327 1.532 0.000) 1.566 4.148 ( 3.635 12.193 0.000) 12.724 4.209 ( -2.454 12.772 0.000) 13.006 4.434 ( 5.076 -1.641 0.000) 5.335 4.522 ( -3.791 -2.119 0.000) 4.343 6.935 ( 4.370 7.545 0.000) 8.719 7.017 ( -3.502 6.506 0.000) 7.389 7.170 ( 4.900 0.265 0.000) 4.907 7.249 ( -0.545 -4.347 0.000) 4.381 7.314 ( -0.129 -0.779 0.000) 0.789 7.318 ( -3.101 5.532 0.000) 6.342 7.509 ( 0.552 -5.389 0.000) 5.417 7.526 ( -1.168 -3.418 0.000) 3.612 8.344 ( 1.933 9.535 0.000) 9.729 8.377 ( -1.370 7.995 0.000) 8.112 8.734 ( 1.002 -8.437 0.000) 8.497 8.734 ( 0.998 -8.462 0.000) 8.520 ======================= Grid point 35 (22/168) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.337 ( 0.000 -1.867 0.000) 1.867 2.337 ( 0.000 1.867 0.000) 1.867 2.345 ( 0.000 -2.177 0.000) 2.177 2.345 ( 0.000 2.177 0.000) 2.177 3.286 ( 0.000 -7.092 0.000) 7.092 3.286 ( 0.000 7.092 0.000) 7.092 3.440 ( 0.000 -2.218 0.000) 2.218 3.440 ( 0.000 2.218 0.000) 2.218 4.218 ( 0.000 -5.984 0.000) 5.984 4.218 ( 0.000 5.984 0.000) 5.984 4.473 ( 0.000 -9.049 0.000) 9.049 4.473 ( 0.000 9.049 0.000) 9.049 6.990 ( 0.000 -6.580 0.000) 6.580 6.990 ( 0.000 6.580 0.000) 6.580 7.129 ( 0.000 -2.725 0.000) 2.725 7.129 ( 0.000 2.725 0.000) 2.725 7.365 ( 0.000 -6.466 0.000) 6.466 7.365 ( 0.000 6.466 0.000) 6.466 7.565 ( 0.000 -0.473 0.000) 0.473 7.565 ( 0.000 0.473 0.000) 0.473 8.502 ( 0.000 -10.145 0.000) 10.145 8.502 ( 0.000 10.145 0.000) 10.145 8.522 ( 0.000 -7.305 0.000) 7.305 8.522 ( 0.000 7.305 0.000) 7.305 ======================= Grid point 37 (23/168) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.350 ( 1.105 -2.171 0.000) 2.436 2.350 ( 1.105 2.171 0.000) 2.436 2.353 ( 0.754 -2.073 0.000) 2.206 2.353 ( 0.754 2.073 0.000) 2.206 3.301 ( 1.480 -6.570 0.000) 6.735 3.301 ( 1.480 6.570 0.000) 6.735 3.425 ( -1.424 -1.991 0.000) 2.448 3.425 ( -1.424 1.991 0.000) 2.448 4.256 ( 3.652 -6.631 0.000) 7.571 4.256 ( 3.652 6.631 0.000) 7.571 4.459 ( -1.447 -8.885 0.000) 9.002 4.459 ( -1.447 8.885 0.000) 9.002 7.015 ( 2.563 -6.819 0.000) 7.285 7.015 ( 2.563 6.819 0.000) 7.285 7.140 ( 0.812 -3.693 0.000) 3.781 7.140 ( 0.812 3.693 0.000) 3.781 7.373 ( 0.739 -6.335 0.000) 6.378 7.373 ( 0.739 6.335 0.000) 6.378 7.522 ( -4.015 -3.306 0.000) 5.201 7.522 ( -4.015 3.306 0.000) 5.201 8.517 ( 1.353 -10.474 0.000) 10.561 8.517 ( 1.353 10.474 0.000) 10.561 8.535 ( 1.115 -8.198 0.000) 8.274 8.535 ( 1.115 8.198 0.000) 8.274 ======================= Grid point 39 (24/168) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.368 ( 0.573 -1.750 0.000) 1.842 2.368 ( 0.573 1.750 0.000) 1.842 2.368 ( 0.554 -1.981 0.000) 2.057 2.368 ( 0.554 1.981 0.000) 2.057 3.339 ( 2.398 -4.968 0.000) 5.516 3.339 ( 2.398 4.968 0.000) 5.516 3.387 ( -2.379 -2.838 0.000) 3.703 3.387 ( -2.379 2.838 0.000) 3.703 4.340 ( 4.445 -7.568 0.000) 8.777 4.340 ( 4.445 7.568 0.000) 8.777 4.415 ( -3.141 -8.351 0.000) 8.922 4.415 ( -3.141 8.351 0.000) 8.922 7.083 ( 3.945 -7.108 0.000) 8.129 7.083 ( 3.945 7.108 0.000) 8.129 7.140 ( -1.383 -6.083 0.000) 6.238 7.140 ( -1.383 6.083 0.000) 6.238 7.392 ( 1.336 -6.326 0.000) 6.465 7.392 ( 1.336 6.326 0.000) 6.465 7.438 ( -3.725 -5.759 0.000) 6.859 7.438 ( -3.725 5.759 0.000) 6.859 8.544 ( 1.123 -10.590 0.000) 10.649 8.544 ( 1.123 10.590 0.000) 10.649 8.552 ( 0.335 -9.705 0.000) 9.711 8.552 ( 0.335 9.705 0.000) 9.711 ======================= Grid point 75 (25/168) ======================= q-point: ( 0.00 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.522 ( 0.000 0.000 24.834) 24.834 0.661 ( 0.000 0.000 31.267) 31.267 0.707 ( 0.000 0.000 33.813) 33.813 1.623 ( 0.000 0.000 4.519) 4.519 1.694 ( 0.000 0.000 5.735) 5.735 2.125 ( 0.000 0.000 -12.079) 12.079 2.507 ( 0.000 0.000 0.197) 0.197 2.638 ( 0.000 0.000 -0.197) 0.197 3.124 ( 0.000 0.000 2.908) 2.908 3.178 ( 0.000 0.000 14.069) 14.069 3.304 ( 0.000 0.000 -4.513) 4.513 3.722 ( 0.000 0.000 1.503) 1.503 5.820 ( 0.000 0.000 9.795) 9.795 6.181 ( 0.000 0.000 8.647) 8.647 6.697 ( 0.000 0.000 3.616) 3.616 6.892 ( 0.000 0.000 -2.317) 2.317 6.952 ( 0.000 0.000 0.417) 0.417 7.260 ( 0.000 0.000 -0.874) 0.874 7.278 ( 0.000 0.000 5.173) 5.173 7.936 ( 0.000 0.000 7.918) 7.918 7.958 ( 0.000 0.000 -11.052) 11.052 8.252 ( 0.000 0.000 3.292) 3.292 8.825 ( 0.000 0.000 4.480) 4.480 9.449 ( 0.000 0.000 0.841) 0.841 ======================= Grid point 76 (26/168) ======================= q-point: ( 0.20 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.561 ( 12.980 0.000 14.938) 19.790 0.817 ( 14.032 0.000 23.788) 27.618 1.067 ( 25.022 0.000 24.196) 34.807 1.493 ( -9.573 0.000 0.077) 9.573 1.618 ( -7.591 0.000 6.565) 10.037 2.099 ( -4.120 0.000 -6.625) 7.802 2.533 ( 2.337 0.000 0.116) 2.340 2.635 ( -0.404 0.000 -0.181) 0.442 3.082 ( 0.499 0.000 -0.643) 0.814 3.193 ( 0.242 0.000 4.802) 4.809 3.307 ( 2.171 0.000 6.995) 7.324 3.680 ( -4.877 0.000 2.552) 5.504 5.858 ( 3.699 0.000 9.628) 10.315 6.148 ( -3.253 0.000 8.668) 9.258 6.812 ( 5.480 0.000 -3.869) 6.708 6.987 ( 3.373 0.000 0.371) 3.393 7.153 ( 3.452 0.000 -1.957) 3.968 7.234 ( -2.550 0.000 -0.705) 2.646 7.362 ( 15.270 0.000 -1.076) 15.307 7.890 ( -0.902 0.000 -0.586) 1.076 8.026 ( 1.359 0.000 3.221) 3.496 8.127 ( -6.311 0.000 5.419) 8.318 8.960 ( 12.248 0.000 -1.748) 12.372 9.470 ( 0.864 0.000 0.066) 0.866 ======================= Grid point 77 (27/168) ======================= q-point: ( 0.40 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.908 ( 19.277 0.000 0.931) 19.300 1.124 ( 16.239 0.000 14.621) 21.852 1.245 ( -14.538 0.000 -2.233) 14.708 1.414 ( -13.112 0.000 9.261) 16.053 1.564 ( 22.884 0.000 14.242) 26.954 1.932 ( -13.859 0.000 3.772) 14.363 2.582 ( 2.420 0.000 -0.030) 2.420 2.619 ( -1.325 0.000 -0.131) 1.332 3.129 ( 3.272 0.000 -2.552) 4.149 3.181 ( -1.660 0.000 -1.026) 1.951 3.396 ( 6.807 0.000 7.385) 10.044 3.548 ( -8.051 0.000 4.297) 9.126 5.952 ( 5.657 0.000 9.233) 10.828 6.062 ( -5.358 0.000 8.849) 10.345 6.939 ( 7.433 0.000 -1.236) 7.535 7.071 ( 4.930 0.000 0.134) 4.931 7.081 ( -6.651 0.000 0.843) 6.704 7.165 ( -4.445 0.000 -0.294) 4.455 7.638 ( 11.434 0.000 2.931) 11.804 7.822 ( -7.338 0.000 4.760) 8.747 8.033 ( 2.183 0.000 2.557) 3.362 8.079 ( -1.693 0.000 -1.897) 2.543 9.234 ( 13.901 0.000 -2.916) 14.203 9.432 ( -5.810 0.000 -1.672) 6.046 ======================= Grid point 80 (28/168) ======================= q-point: ( 0.00 0.07 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.465 ( 0.000 12.155 11.775) 16.923 0.675 ( 0.000 14.365 18.895) 23.735 1.325 ( 0.000 35.026 26.704) 44.044 1.550 ( 0.000 0.040 -2.164) 2.165 1.957 ( 0.000 17.851 9.714) 20.323 1.957 ( 0.000 -10.767 -5.134) 11.929 2.725 ( 0.000 15.028 -6.999) 16.578 2.779 ( 0.000 13.686 -1.319) 13.749 3.119 ( 0.000 -1.497 0.847) 1.719 3.201 ( 0.000 -2.854 3.013) 4.150 3.233 ( 0.000 6.482 14.374) 15.768 3.700 ( 0.000 -2.064 1.757) 2.710 6.314 ( 0.000 16.612 -0.176) 16.613 6.528 ( 0.000 29.682 -21.482) 36.640 6.683 ( 0.000 -1.207 3.139) 3.363 6.954 ( 0.000 7.933 -7.498) 10.915 6.963 ( 0.000 0.839 1.167) 1.437 7.265 ( 0.000 -1.068 5.163) 5.273 7.318 ( 0.000 5.590 -1.233) 5.724 7.923 ( 0.000 -1.610 8.279) 8.434 7.940 ( 0.000 -1.860 -10.102) 10.272 8.217 ( 0.000 -3.461 3.450) 4.887 8.784 ( 0.000 -2.002 7.368) 7.635 9.399 ( 0.000 -4.869 0.566) 4.901 ======================= Grid point 81 (29/168) ======================= q-point: ( 0.20 0.07 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.624 ( 14.246 11.203 4.268) 18.619 0.840 ( 15.182 8.133 16.437) 23.808 1.406 ( -4.043 7.881 7.857) 11.841 1.493 ( 7.277 20.957 13.858) 26.157 1.748 ( -11.966 4.979 3.566) 13.442 2.032 ( 0.161 2.609 3.406) 4.294 2.749 ( 1.723 16.038 -6.018) 17.216 2.784 ( 0.314 14.402 -1.955) 14.538 3.075 ( -0.531 -0.317 -0.696) 0.931 3.181 ( -1.239 -0.562 3.731) 3.971 3.301 ( 4.122 2.037 11.378) 12.272 3.660 ( -4.443 -1.807 2.833) 5.570 6.211 ( -7.076 23.612 -1.546) 24.698 6.326 ( -4.406 16.958 5.312) 18.308 6.808 ( 4.321 -0.208 -3.728) 5.710 6.990 ( 4.280 0.383 -0.816) 4.374 7.123 ( 1.046 -0.652 -1.854) 2.226 7.266 ( -1.312 1.140 2.309) 2.889 7.428 ( 13.497 6.229 -3.241) 15.214 7.877 ( -0.415 -1.488 -0.922) 1.799 8.025 ( 3.080 -0.898 -0.126) 3.211 8.128 ( -6.666 0.447 6.775) 9.515 8.887 ( 11.116 -5.737 1.719) 12.627 9.413 ( 0.328 -5.577 -0.098) 5.588 ======================= Grid point 82 (30/168) ======================= q-point: ( 0.40 0.07 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.935 ( 16.165 5.386 -1.593) 17.113 1.175 ( 17.558 4.138 10.657) 20.952 1.215 ( -12.272 0.285 -2.382) 12.504 1.491 ( -14.690 3.914 5.927) 16.317 1.754 ( 14.063 18.507 15.575) 27.979 1.968 ( -7.182 7.928 8.273) 13.523 2.775 ( 0.858 16.380 -3.421) 16.756 2.785 ( -0.234 16.058 -2.421) 16.241 3.105 ( 2.610 -1.595 -1.432) 3.378 3.151 ( -1.919 -1.794 0.507) 2.675 3.399 ( 6.341 0.661 8.318) 10.480 3.538 ( -7.423 -0.792 4.866) 8.911 6.175 ( 2.034 18.908 3.990) 19.431 6.244 ( -4.330 16.553 5.174) 17.875 6.911 ( 6.281 -1.883 -1.500) 6.726 7.026 ( -4.082 -2.852 -0.788) 5.042 7.119 ( 3.720 3.089 1.147) 4.970 7.208 ( -4.276 2.919 1.140) 5.302 7.673 ( 10.755 3.274 2.088) 11.435 7.840 ( -5.681 1.197 1.476) 5.991 8.032 ( 0.195 0.430 4.637) 4.661 8.058 ( -1.351 -1.950 -0.868) 2.526 9.157 ( 14.229 -7.146 -1.829) 16.027 9.364 ( -6.342 -6.581 -1.514) 9.264 ======================= Grid point 85 (31/168) ======================= q-point: ( 0.00 0.14 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.918 ( 0.000 27.840 -6.082) 28.497 1.023 ( 0.000 20.094 10.911) 22.865 1.643 ( 0.000 9.677 -6.130) 11.455 1.807 ( 0.000 -3.958 -1.013) 4.086 2.015 ( 0.000 33.658 15.295) 36.970 2.309 ( 0.000 17.982 9.992) 20.572 2.949 ( 0.000 7.263 -4.583) 8.588 3.089 ( 0.000 0.297 -1.423) 1.454 3.122 ( 0.000 20.242 -3.722) 20.582 3.233 ( 0.000 4.787 6.223) 7.851 3.459 ( 0.000 14.832 8.251) 16.973 3.666 ( 0.000 0.552 1.610) 1.702 6.651 ( 0.000 15.037 -8.864) 17.455 6.663 ( 0.000 -0.682 2.410) 2.504 6.810 ( 0.000 8.499 -6.190) 10.514 6.976 ( 0.000 0.388 2.517) 2.547 7.116 ( 0.000 2.528 -11.006) 11.293 7.285 ( 0.000 5.316 0.234) 5.321 7.455 ( 0.000 7.961 -2.375) 8.308 7.877 ( 0.000 -2.379 10.646) 10.909 7.885 ( 0.000 -3.799 -7.507) 8.413 8.124 ( 0.000 -5.826 4.053) 7.097 8.787 ( 0.000 1.875 4.571) 4.941 9.273 ( 0.000 -7.663 -0.357) 7.671 ======================= Grid point 86 (32/168) ======================= q-point: ( 0.20 0.14 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.998 ( 7.316 24.149 -5.514) 25.829 1.099 ( 7.898 17.020 10.430) 21.467 1.527 ( -9.815 10.656 -3.843) 14.989 1.732 ( -7.280 -1.186 0.828) 7.423 2.081 ( 5.938 30.760 13.488) 34.108 2.287 ( -1.440 18.106 8.389) 20.007 3.006 ( 4.983 7.274 -5.766) 10.536 3.058 ( -0.336 6.256 -1.832) 6.527 3.156 ( 1.358 16.048 -3.376) 16.455 3.216 ( -1.690 5.006 5.184) 7.403 3.452 ( -0.465 13.038 8.604) 15.628 3.632 ( -3.555 0.884 2.898) 4.671 6.553 ( -4.635 10.364 -3.464) 11.870 6.663 ( -2.940 15.645 -1.689) 16.008 6.813 ( 2.050 1.003 -3.812) 4.443 7.012 ( 2.448 1.708 -3.067) 4.280 7.130 ( 0.623 0.799 -0.462) 1.114 7.305 ( 0.159 3.845 1.054) 3.990 7.559 ( 9.333 6.580 -2.658) 11.725 7.833 ( -0.365 -2.775 -0.375) 2.824 7.980 ( 3.914 -3.149 0.478) 5.046 8.121 ( -0.861 -2.234 5.183) 5.709 8.810 ( 4.919 -1.185 3.411) 6.102 9.271 ( -0.878 -8.412 -0.792) 8.495 ======================= Grid point 87 (33/168) ======================= q-point: ( 0.40 0.14 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.163 ( 9.056 17.360 -4.291) 20.045 1.307 ( 12.466 10.093 7.913) 17.885 1.338 ( -9.112 12.465 -3.167) 15.762 1.546 ( -11.448 3.825 4.354) 12.832 2.197 ( 4.952 24.435 9.932) 26.837 2.260 ( -1.831 19.260 7.329) 20.688 3.089 ( 3.681 4.236 0.281) 5.618 3.110 ( 4.193 12.363 -6.494) 14.581 3.161 ( -0.995 16.760 -5.495) 17.666 3.165 ( -3.535 5.734 3.158) 7.440 3.462 ( 2.114 7.777 8.445) 11.673 3.539 ( -5.303 2.632 5.631) 8.170 6.522 ( 1.316 13.932 -1.687) 14.096 6.583 ( -4.279 15.058 -1.109) 15.693 6.892 ( 5.196 0.350 -2.937) 5.979 6.989 ( -4.175 -0.816 -2.888) 5.142 7.189 ( 4.688 4.328 1.901) 6.658 7.272 ( -3.335 4.110 1.832) 5.601 7.738 ( 7.953 2.445 -0.819) 8.361 7.830 ( -1.366 -2.434 -2.596) 3.812 8.020 ( 1.325 -1.041 2.833) 3.296 8.070 ( -3.746 2.783 6.685) 8.152 9.001 ( 12.513 -7.528 -0.423) 14.609 9.202 ( -6.999 -9.232 -1.435) 11.674 ======================= Grid point 90 (34/168) ======================= q-point: ( 0.00 0.21 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.421 ( 0.000 20.125 5.355) 20.825 1.448 ( 0.000 25.558 -5.820) 26.212 1.807 ( 0.000 3.633 0.208) 3.639 1.874 ( 0.000 12.871 -4.566) 13.657 2.505 ( 0.000 14.409 -0.119) 14.410 2.740 ( 0.000 27.474 9.219) 28.979 3.049 ( 0.000 4.097 0.687) 4.154 3.151 ( 0.000 5.916 -1.512) 6.106 3.388 ( 0.000 11.536 8.201) 14.154 3.459 ( 0.000 6.945 -2.211) 7.288 3.628 ( 0.000 12.340 0.213) 12.342 3.911 ( 0.000 19.851 -2.030) 19.955 6.657 ( 0.000 0.104 1.805) 1.808 6.826 ( 0.000 6.052 -13.191) 14.513 6.979 ( 0.000 0.020 3.931) 3.931 6.984 ( 0.000 4.609 -7.416) 8.731 7.104 ( 0.000 0.127 -4.901) 4.903 7.410 ( 0.000 4.812 -3.624) 6.024 7.603 ( 0.000 6.382 -4.747) 7.954 7.794 ( 0.000 -5.408 -4.473) 7.018 7.882 ( 0.000 4.560 11.317) 12.201 8.007 ( 0.000 -5.470 5.490) 7.750 8.829 ( 0.000 1.861 0.942) 2.086 9.118 ( 0.000 -7.945 -1.890) 8.167 ======================= Grid point 91 (35/168) ======================= q-point: ( 0.20 0.21 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.454 ( 3.238 19.018 4.831) 19.887 1.482 ( 3.377 23.695 -4.530) 24.360 1.759 ( -5.214 7.707 -0.765) 9.336 1.802 ( -5.628 12.500 -1.226) 13.764 2.527 ( 2.230 14.076 -0.294) 14.255 2.723 ( -1.967 25.334 6.213) 26.159 3.101 ( 4.423 4.238 -0.647) 6.159 3.163 ( 2.501 7.233 1.182) 7.744 3.366 ( -1.996 10.961 7.356) 13.350 3.447 ( -1.548 5.236 -1.261) 5.604 3.656 ( 2.399 15.270 -0.522) 15.466 3.878 ( -3.276 19.982 -1.790) 20.328 6.655 ( 0.429 2.263 -0.154) 2.308 6.852 ( -1.182 2.932 -3.139) 4.455 6.878 ( -1.251 6.091 -8.354) 10.414 7.019 ( -0.830 -1.499 -5.664) 5.917 7.177 ( 5.971 3.839 -0.541) 7.119 7.400 ( -0.860 4.474 -1.250) 4.724 7.665 ( 4.776 3.405 -4.781) 7.567 7.774 ( -0.962 -3.813 -2.523) 4.672 7.950 ( 4.826 2.254 7.210) 8.964 8.046 ( 4.061 -4.228 5.219) 7.849 8.827 ( 0.823 1.879 0.765) 2.189 9.106 ( -1.625 -8.161 -2.023) 8.564 ======================= Grid point 92 (36/168) ======================= q-point: ( 0.40 0.21 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( 4.720 17.374 0.674) 18.016 1.572 ( 5.644 17.905 0.654) 18.785 1.637 ( -5.935 15.186 -1.516) 16.375 1.691 ( -6.055 12.503 2.413) 14.100 2.586 ( 3.726 15.242 -0.129) 15.692 2.663 ( -3.910 19.490 1.728) 19.953 3.190 ( 4.728 6.614 0.672) 8.158 3.243 ( 2.378 7.293 1.789) 7.877 3.327 ( -0.119 8.357 4.810) 9.643 3.394 ( -3.951 5.595 1.249) 6.962 3.713 ( 3.568 18.718 -1.248) 19.096 3.796 ( -4.752 20.111 -1.503) 20.720 6.690 ( 3.156 4.460 -1.378) 5.635 6.767 ( -4.516 4.695 -1.357) 6.654 6.928 ( 3.076 2.734 -7.332) 8.408 6.983 ( -2.511 -0.114 -5.730) 6.257 7.289 ( 5.141 5.073 0.225) 7.226 7.368 ( -2.820 4.790 0.158) 5.560 7.739 ( 2.404 -2.257 -3.689) 4.948 7.763 ( -0.476 -4.185 -3.060) 5.206 8.042 ( 4.664 3.248 6.459) 8.603 8.101 ( -0.255 0.177 5.296) 5.306 8.901 ( 6.736 -2.581 -0.911) 7.271 9.036 ( -5.798 -7.247 -2.038) 9.502 ======================= Grid point 95 (37/168) ======================= q-point: ( 0.00 0.29 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.785 ( 0.000 16.813 1.879) 16.917 1.887 ( 0.000 19.050 -3.073) 19.297 1.928 ( 0.000 8.141 -0.171) 8.143 2.107 ( 0.000 10.405 -1.113) 10.464 2.716 ( 0.000 9.350 -3.005) 9.821 3.130 ( 0.000 4.480 1.583) 4.752 3.160 ( 0.000 11.578 -5.339) 12.750 3.373 ( 0.000 19.064 4.218) 19.525 3.460 ( 0.000 -1.956 0.224) 1.969 3.672 ( 0.000 16.650 6.586) 17.905 3.958 ( 0.000 16.218 -4.367) 16.796 4.274 ( 0.000 16.074 -5.272) 16.916 6.669 ( 0.000 1.335 1.155) 1.765 6.947 ( 0.000 3.942 -12.136) 12.760 6.987 ( 0.000 2.284 -10.250) 10.502 6.988 ( 0.000 1.278 4.815) 4.981 7.138 ( 0.000 1.149 -6.170) 6.276 7.431 ( 0.000 -1.860 -0.501) 1.926 7.645 ( 0.000 -4.019 -5.719) 6.990 7.692 ( 0.000 -3.813 -1.662) 4.159 7.966 ( 0.000 2.513 3.770) 4.531 8.052 ( 0.000 10.792 4.420) 11.662 8.841 ( 0.000 -0.903 -1.211) 1.511 8.967 ( 0.000 -7.669 -3.378) 8.380 ======================= Grid point 96 (38/168) ======================= q-point: ( 0.20 0.29 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.800 ( 1.518 16.214 1.984) 16.406 1.880 ( -0.262 14.508 -1.220) 14.562 1.936 ( 0.415 13.348 -1.277) 13.415 2.064 ( -3.717 12.134 -0.676) 12.708 2.743 ( 2.828 9.587 -3.064) 10.454 3.083 ( -5.692 10.397 -3.200) 12.278 3.184 ( 3.619 5.066 -0.254) 6.231 3.403 ( 1.055 11.200 1.684) 11.375 3.458 ( 1.309 6.268 2.881) 7.022 3.656 ( -1.383 16.219 5.456) 17.168 4.000 ( 3.647 16.434 -4.609) 17.454 4.246 ( -2.821 16.390 -5.155) 17.411 6.688 ( 2.107 1.876 0.890) 2.958 6.912 ( -3.849 2.728 -0.569) 4.752 6.973 ( 0.594 3.865 -10.597) 11.295 6.990 ( -0.029 1.245 -7.700) 7.800 7.223 ( 6.539 0.458 -3.074) 7.240 7.432 ( -0.019 -1.189 -0.583) 1.325 7.656 ( 0.777 -5.153 -4.653) 6.986 7.686 ( -0.542 -3.645 -1.771) 4.088 8.014 ( 4.661 1.850 2.812) 5.749 8.081 ( 2.604 9.018 4.042) 10.220 8.847 ( 0.718 -0.345 -1.600) 1.787 8.959 ( -1.021 -7.129 -3.328) 7.933 ======================= Grid point 97 (39/168) ======================= q-point: ( 0.40 0.29 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.838 ( 2.180 14.625 1.839) 14.900 1.873 ( -1.047 12.461 1.198) 12.562 1.946 ( 1.234 16.675 -1.789) 16.816 1.992 ( -3.257 14.855 -0.610) 15.220 2.825 ( 5.567 10.209 -3.158) 12.050 2.951 ( -7.126 10.846 -3.256) 13.380 3.272 ( 4.936 2.968 0.139) 5.761 3.361 ( -3.992 1.643 0.001) 4.317 3.538 ( 4.969 16.236 4.445) 17.552 3.617 ( -2.937 15.855 4.362) 16.704 4.080 ( 4.550 16.976 -4.947) 18.258 4.171 ( -4.588 16.955 -5.015) 18.267 6.750 ( 4.033 2.767 0.327) 4.902 6.833 ( -4.237 3.164 -0.106) 5.289 6.985 ( 0.387 2.504 -9.109) 9.455 6.989 ( -0.111 1.938 -8.386) 8.608 7.344 ( 5.292 0.213 -1.706) 5.565 7.416 ( -2.075 -0.231 -1.032) 2.329 7.667 ( 0.386 -5.332 -3.011) 6.135 7.675 ( -0.494 -4.246 -2.175) 4.796 8.108 ( 3.622 1.523 2.470) 4.641 8.128 ( 1.375 5.043 3.284) 6.173 8.874 ( 2.135 -1.247 -2.541) 3.545 8.924 ( -2.518 -4.779 -3.167) 6.262 ======================= Grid point 100 (40/168) ======================= q-point: ( 0.00 0.36 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.058 ( 0.000 10.901 -0.711) 10.924 2.104 ( 0.000 9.645 -0.109) 9.646 2.178 ( 0.000 10.831 -1.228) 10.901 2.266 ( 0.000 5.886 0.133) 5.888 2.902 ( 0.000 9.995 -2.978) 10.429 3.227 ( 0.000 5.438 -0.095) 5.439 3.310 ( 0.000 5.870 -5.188) 7.834 3.419 ( 0.000 -2.319 -1.557) 2.794 3.746 ( 0.000 17.004 -0.988) 17.032 3.993 ( 0.000 15.420 3.314) 15.772 4.198 ( 0.000 7.998 -3.547) 8.749 4.503 ( 0.000 6.970 -5.869) 9.112 6.719 ( 0.000 3.942 -0.137) 3.945 6.960 ( 0.000 1.679 -8.456) 8.621 7.035 ( 0.000 3.388 4.255) 5.440 7.102 ( 0.000 0.692 -12.573) 12.592 7.179 ( 0.000 7.741 -8.438) 11.451 7.377 ( 0.000 -2.937 1.751) 3.419 7.530 ( 0.000 -5.773 -4.028) 7.039 7.613 ( 0.000 -4.569 -0.694) 4.621 8.077 ( 0.000 7.623 -1.952) 7.869 8.234 ( 0.000 7.169 -1.790) 7.389 8.789 ( 0.000 -4.468 -2.053) 4.918 8.813 ( 0.000 -8.256 -4.086) 9.211 ======================= Grid point 101 (41/168) ======================= q-point: ( 0.20 0.36 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.066 ( 0.845 10.781 -0.688) 10.836 2.100 ( 0.021 10.456 0.286) 10.460 2.196 ( 1.127 10.429 -1.462) 10.591 2.252 ( -1.232 7.067 0.059) 7.174 2.930 ( 2.883 9.859 -2.957) 10.689 3.219 ( -2.234 5.602 -1.767) 6.285 3.298 ( 0.118 5.801 -3.022) 6.542 3.409 ( -1.059 -1.505 -1.489) 2.367 3.783 ( 3.448 16.432 -0.422) 16.795 3.970 ( -1.896 15.151 2.013) 15.401 4.244 ( 3.985 8.142 -3.858) 9.852 4.481 ( -2.229 7.289 -5.721) 9.531 6.746 ( 2.789 4.263 0.420) 5.112 6.963 ( -0.669 2.916 -5.853) 6.573 7.007 ( -0.812 3.429 -1.018) 3.668 7.120 ( -0.775 6.720 -13.424) 15.032 7.209 ( 4.203 -0.520 -3.376) 5.416 7.381 ( 0.191 -3.437 0.769) 3.527 7.541 ( 0.958 -5.508 -3.763) 6.739 7.605 ( -0.769 -4.666 -1.059) 4.846 8.106 ( 2.863 6.773 -1.755) 7.560 8.238 ( 0.166 6.503 -1.404) 6.655 8.803 ( 1.166 -4.326 -2.653) 5.207 8.818 ( 0.439 -7.552 -4.171) 8.638 ======================= Grid point 102 (42/168) ======================= q-point: ( 0.40 0.36 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.089 ( 1.339 10.894 -0.369) 10.983 2.104 ( -0.035 10.929 0.245) 10.932 2.209 ( 0.522 10.050 -1.176) 10.132 2.227 ( -1.250 9.039 -0.353) 9.132 3.012 ( 5.418 9.299 -2.980) 11.167 3.128 ( -6.073 7.961 -3.114) 10.486 3.331 ( 2.524 3.063 -0.980) 4.088 3.378 ( -2.098 0.464 -1.147) 2.436 3.860 ( 4.022 15.492 0.078) 16.006 3.926 ( -2.750 15.032 0.604) 15.294 4.331 ( 4.716 8.226 -4.757) 10.608 4.419 ( -4.090 7.916 -5.359) 10.398 6.822 ( 4.704 4.864 0.934) 6.831 6.911 ( -4.046 5.025 0.025) 6.452 7.030 ( 2.295 3.730 -7.907) 9.039 7.080 ( -2.678 6.051 -10.804) 12.669 7.306 ( 4.695 -3.704 -2.259) 6.393 7.370 ( -1.725 -3.984 -1.033) 4.462 7.562 ( 1.147 -5.205 -3.028) 6.130 7.585 ( -1.227 -4.934 -1.984) 5.457 8.174 ( 3.659 5.258 -1.054) 6.492 8.228 ( -1.557 5.241 -0.811) 5.527 8.822 ( 0.643 -4.526 -3.740) 5.906 8.826 ( 0.211 -5.847 -4.262) 7.238 ======================= Grid point 105 (43/168) ======================= q-point: ( 0.00 0.43 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.223 ( 0.000 6.569 -2.010) 6.870 2.268 ( 0.000 6.384 0.053) 6.385 2.317 ( 0.000 3.676 -0.568) 3.720 2.337 ( 0.000 1.520 -0.710) 1.678 3.097 ( 0.000 9.526 -2.447) 9.835 3.332 ( 0.000 4.915 -2.222) 5.394 3.362 ( 0.000 -3.750 -2.779) 4.668 3.397 ( 0.000 2.704 -3.991) 4.820 4.021 ( 0.000 11.317 -3.095) 11.733 4.254 ( 0.000 11.439 -0.181) 11.441 4.267 ( 0.000 -0.619 -2.340) 2.420 4.546 ( 0.000 -2.155 -4.772) 5.236 6.820 ( 0.000 6.154 -2.267) 6.558 7.013 ( 0.000 0.875 -5.389) 5.460 7.074 ( 0.000 0.168 -9.476) 9.478 7.100 ( 0.000 2.661 2.502) 3.653 7.291 ( 0.000 -0.354 -2.577) 2.601 7.398 ( 0.000 7.389 -6.278) 9.696 7.425 ( 0.000 -5.755 -5.821) 8.186 7.542 ( 0.000 -1.898 -1.216) 2.254 8.236 ( 0.000 8.242 -6.007) 10.199 8.330 ( 0.000 3.080 -6.098) 6.832 8.653 ( 0.000 -7.610 -3.163) 8.241 8.675 ( 0.000 -6.785 -1.440) 6.936 ======================= Grid point 106 (44/168) ======================= q-point: ( 0.20 0.43 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.234 ( 1.119 6.746 -1.843) 7.082 2.271 ( 0.369 6.562 -0.109) 6.573 2.331 ( 0.965 3.635 -0.900) 3.867 2.338 ( 0.184 1.935 -0.781) 2.094 3.120 ( 2.349 9.192 -2.445) 9.797 3.323 ( -1.370 4.812 -2.504) 5.595 3.366 ( 0.355 -3.116 -2.648) 4.104 3.385 ( -0.838 2.741 -3.199) 4.295 4.053 ( 3.077 11.374 -2.710) 12.091 4.226 ( -1.656 10.600 -1.748) 10.870 4.317 ( 3.653 0.196 -2.108) 4.222 4.529 ( -1.759 -1.994 -4.721) 5.419 6.853 ( 3.283 6.425 -1.341) 7.338 7.030 ( 1.432 2.498 -5.111) 5.866 7.089 ( 0.508 4.272 -1.924) 4.712 7.125 ( 3.468 -2.050 -4.640) 6.145 7.284 ( -1.110 1.263 -4.993) 5.268 7.345 ( -4.026 3.423 -3.961) 6.604 7.440 ( 0.734 -5.368 -5.445) 7.682 7.526 ( -1.672 -2.978 -2.322) 4.130 8.258 ( 2.140 8.430 -5.267) 10.168 8.340 ( 0.775 4.559 -4.797) 6.663 8.663 ( 0.943 -8.056 -3.854) 8.979 8.686 ( 0.856 -7.295 -2.347) 7.711 ======================= Grid point 107 (45/168) ======================= q-point: ( 0.40 0.43 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.262 ( 1.445 6.758 -1.457) 7.062 2.278 ( -0.051 6.611 -0.731) 6.651 2.340 ( 0.231 3.482 -1.073) 3.651 2.344 ( 0.017 3.145 -0.959) 3.288 3.184 ( 4.126 8.057 -2.537) 9.400 3.268 ( -4.059 6.222 -2.759) 7.925 3.372 ( 0.303 -1.170 -2.315) 2.611 3.377 ( -0.165 0.914 -2.208) 2.396 4.123 ( 3.735 11.508 -2.390) 12.333 4.186 ( -2.620 11.591 -2.245) 12.093 4.397 ( 4.400 -1.044 -3.619) 5.792 4.477 ( -3.546 -1.570 -4.459) 5.909 6.938 ( 5.036 6.783 0.131) 8.449 7.023 ( -2.926 6.061 -0.324) 6.739 7.127 ( 3.918 5.136 -5.376) 8.404 7.208 ( 2.962 0.286 -7.473) 8.044 7.222 ( -3.487 2.252 -5.125) 6.595 7.282 ( -2.771 -4.195 -1.520) 5.253 7.456 ( 1.066 -6.185 -4.969) 8.005 7.486 ( -2.049 -5.272 -3.897) 6.869 8.308 ( 2.608 8.358 -3.586) 9.462 8.344 ( -0.779 7.049 -3.098) 7.739 8.684 ( 1.064 -8.616 -4.768) 9.905 8.696 ( -0.016 -8.234 -4.045) 9.174 ======================= Grid point 110 (46/168) ======================= q-point: ( 0.00 -0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.316 ( 0.000 -2.857 -1.610) 3.279 2.316 ( 0.000 2.857 -1.610) 3.279 2.344 ( 0.000 -1.436 -0.412) 1.494 2.344 ( 0.000 1.436 -0.412) 1.494 3.258 ( 0.000 -6.832 -2.699) 7.346 3.258 ( 0.000 6.832 -2.699) 7.346 3.405 ( 0.000 -1.884 -3.368) 3.859 3.405 ( 0.000 1.884 -3.368) 3.859 4.193 ( 0.000 -6.501 -2.455) 6.949 4.193 ( 0.000 6.501 -2.455) 6.949 4.443 ( 0.000 -7.837 -2.993) 8.389 4.443 ( 0.000 7.837 -2.993) 8.389 6.941 ( 0.000 -5.743 -4.305) 7.177 6.941 ( 0.000 5.743 -4.305) 7.177 7.122 ( 0.000 -0.981 -2.197) 2.406 7.122 ( 0.000 0.981 -2.197) 2.406 7.313 ( 0.000 -4.320 -3.833) 5.775 7.313 ( 0.000 4.320 -3.833) 5.775 7.511 ( 0.000 -2.999 -5.565) 6.322 7.511 ( 0.000 2.999 -5.565) 6.322 8.354 ( 0.000 -2.018 -9.681) 9.889 8.354 ( 0.000 2.018 -9.681) 9.889 8.572 ( 0.000 -1.331 0.260) 1.357 8.572 ( 0.000 1.331 0.260) 1.357 ======================= Grid point 112 (47/168) ======================= q-point: ( 0.20 -0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.327 ( 1.046 -2.738 -1.695) 3.386 2.327 ( 1.046 2.738 -1.695) 3.386 2.351 ( 0.577 -1.581 -0.591) 1.784 2.351 ( 0.577 1.581 -0.591) 1.784 3.273 ( 1.512 -6.346 -2.665) 7.047 3.273 ( 1.512 6.346 -2.665) 7.047 3.394 ( -1.172 -1.841 -3.078) 3.773 3.394 ( -1.172 1.841 -3.078) 3.773 4.228 ( 3.344 -6.577 -2.790) 7.888 4.228 ( 3.344 6.577 -2.790) 7.888 4.428 ( -1.567 -7.730 -3.126) 8.484 4.428 ( -1.567 7.730 -3.126) 8.484 6.978 ( 3.686 -5.884 -3.300) 7.688 6.978 ( 3.686 5.884 -3.300) 7.688 7.136 ( 1.245 -0.567 -1.564) 2.078 7.136 ( 1.245 0.567 -1.564) 2.078 7.312 ( -0.114 -4.759 -4.807) 6.765 7.312 ( -0.114 4.759 -4.807) 6.765 7.463 ( -4.437 -4.418 -5.881) 8.590 7.463 ( -4.437 4.418 -5.881) 8.590 8.392 ( 3.530 -2.595 -8.522) 9.583 8.392 ( 3.530 2.595 -8.522) 9.583 8.566 ( -0.716 -1.745 -0.568) 1.970 8.566 ( -0.716 1.745 -0.568) 1.970 ======================= Grid point 114 (48/168) ======================= q-point: ( 0.40 -0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.349 ( 0.976 -2.108 -1.577) 2.807 2.349 ( 0.976 2.108 -1.577) 2.807 2.359 ( 0.022 -1.652 -1.093) 1.981 2.359 ( 0.022 1.652 -1.093) 1.981 3.313 ( 2.417 -4.891 -2.603) 6.045 3.313 ( 2.417 4.891 -2.603) 6.045 3.360 ( -2.254 -2.913 -2.686) 4.559 3.360 ( -2.254 2.913 -2.686) 4.559 4.306 ( 4.274 -6.852 -3.283) 8.718 4.306 ( 4.274 6.852 -3.283) 8.718 4.381 ( -3.219 -7.350 -3.354) 8.697 4.381 ( -3.219 7.350 -3.354) 8.697 7.070 ( 5.207 -5.989 -1.247) 8.033 7.070 ( 5.207 5.989 -1.247) 8.033 7.144 ( -1.495 -4.483 -0.011) 4.726 7.144 ( -1.495 4.483 -0.011) 4.726 7.316 ( 1.042 -6.388 -6.960) 9.504 7.316 ( 1.042 6.388 -6.960) 9.504 7.369 ( -4.375 -6.394 -6.707) 10.247 7.369 ( -4.375 6.394 -6.707) 10.247 8.471 ( 4.109 -2.953 -5.811) 7.705 8.471 ( 4.109 2.953 -5.811) 7.705 8.537 ( -2.470 -2.537 -2.814) 4.522 8.537 ( -2.470 2.537 -2.814) 4.522 ======================= Grid point 150 (49/168) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.982 ( 0.000 0.000 20.304) 20.304 1.237 ( 0.000 0.000 25.525) 25.525 1.330 ( 0.000 0.000 26.846) 26.846 1.747 ( 0.000 0.000 7.642) 7.642 1.846 ( 0.000 0.000 8.796) 8.796 1.888 ( 0.000 0.000 -10.144) 10.144 2.512 ( 0.000 0.000 0.253) 0.253 2.629 ( 0.000 0.000 -0.784) 0.784 3.137 ( 0.000 0.000 -4.022) 4.022 3.271 ( 0.000 0.000 4.465) 4.465 3.483 ( 0.000 0.000 15.081) 15.081 3.758 ( 0.000 0.000 1.752) 1.752 6.091 ( 0.000 0.000 16.237) 16.237 6.417 ( 0.000 0.000 14.005) 14.005 6.782 ( 0.000 0.000 4.190) 4.190 6.852 ( 0.000 0.000 -1.282) 1.282 6.969 ( 0.000 0.000 1.308) 1.308 7.240 ( 0.000 0.000 -0.873) 0.873 7.406 ( 0.000 0.000 6.871) 6.871 7.729 ( 0.000 0.000 -10.768) 10.768 8.133 ( 0.000 0.000 10.764) 10.764 8.303 ( 0.000 0.000 2.413) 2.413 8.950 ( 0.000 0.000 7.504) 7.504 9.463 ( 0.000 0.000 0.377) 0.377 ======================= Grid point 151 (50/168) ======================= q-point: ( 0.20 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 248 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.960 ( 1.183 0.000 20.879) 20.912 1.304 ( 6.463 0.000 22.918) 23.812 1.526 ( -1.423 0.000 12.626) 12.706 1.535 ( 3.372 0.000 10.730) 11.248 1.789 ( -5.564 0.000 9.786) 11.257 1.983 ( 3.553 0.000 -3.499) 4.987 2.535 ( 2.097 0.000 0.077) 2.099 2.626 ( -0.336 0.000 -0.736) 0.809 3.078 ( -1.996 0.000 -0.728) 2.125 3.252 ( -2.123 0.000 3.590) 4.171 3.522 ( 2.387 0.000 12.644) 12.867 3.740 ( -2.569 0.000 3.103) 4.029 6.123 ( 3.217 0.000 15.919) 16.241 6.385 ( -3.144 0.000 14.027) 14.375 6.784 ( 5.286 0.000 0.845) 5.353 7.003 ( 3.221 0.000 1.273) 3.464 7.117 ( 12.316 0.000 -2.046) 12.484 7.220 ( -2.083 0.000 -0.579) 2.162 7.407 ( 3.743 0.000 3.878) 5.390 7.746 ( 1.247 0.000 -9.603) 9.684 8.144 ( 0.758 0.000 8.934) 8.966 8.285 ( -2.239 0.000 6.927) 7.280 8.998 ( 6.336 0.000 4.957) 8.044 9.462 ( -0.936 0.000 -0.796) 1.229 ======================= Grid point 152 (51/168) ======================= q-point: ( 0.40 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 248 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.065 ( 8.926 0.000 13.260) 15.985 1.274 ( -12.143 0.000 5.680) 13.406 1.464 ( 9.403 0.000 17.546) 19.907 1.646 ( -8.812 0.000 12.754) 15.502 1.832 ( 12.923 0.000 10.665) 16.756 1.990 ( -3.348 0.000 1.887) 3.844 2.579 ( 2.170 0.000 -0.281) 2.188 2.612 ( -1.173 0.000 -0.576) 1.307 3.101 ( 3.583 0.000 0.238) 3.591 3.185 ( -4.422 0.000 2.255) 4.963 3.575 ( 3.506 0.000 9.720) 10.333 3.660 ( -4.940 0.000 6.322) 8.023 6.206 ( 4.986 0.000 15.155) 15.954 6.304 ( -4.885 0.000 14.391) 15.197 6.942 ( 9.646 0.000 1.440) 9.753 7.080 ( 4.415 0.000 0.891) 4.504 7.116 ( -7.283 0.000 2.079) 7.573 7.162 ( -3.768 0.000 0.142) 3.771 7.611 ( 11.216 0.000 -4.968) 12.267 7.744 ( -2.588 0.000 -8.240) 8.637 8.162 ( 1.613 0.000 9.338) 9.477 8.219 ( -3.913 0.000 11.373) 12.027 9.194 ( 12.039 0.000 -0.423) 12.046 9.390 ( -7.064 0.000 -2.108) 7.372 ======================= Grid point 155 (52/168) ======================= q-point: ( 0.00 0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.893 ( 0.000 -11.419 24.807) 27.310 1.065 ( 0.000 8.218 18.301) 20.061 1.562 ( 0.000 -5.178 2.972) 5.970 1.834 ( 0.000 26.959 22.451) 35.084 1.835 ( 0.000 -3.908 -5.946) 7.115 2.140 ( 0.000 18.167 8.337) 19.989 2.634 ( 0.000 10.744 -2.340) 10.995 2.744 ( 0.000 11.520 -2.080) 11.706 3.097 ( 0.000 -2.973 -2.707) 4.021 3.288 ( 0.000 2.250 6.073) 6.477 3.519 ( 0.000 3.732 13.496) 14.003 3.740 ( 0.000 -1.837 1.795) 2.568 6.269 ( 0.000 12.686 3.916) 13.276 6.528 ( 0.000 10.638 8.976) 13.919 6.756 ( 0.000 -2.065 3.597) 4.147 6.880 ( 0.000 3.178 -1.652) 3.582 7.000 ( 0.000 2.490 2.520) 3.543 7.288 ( 0.000 4.694 -1.434) 4.909 7.393 ( 0.000 -1.134 6.837) 6.930 7.728 ( 0.000 -0.140 -10.150) 10.151 8.119 ( 0.000 -1.349 10.466) 10.552 8.275 ( 0.000 -2.874 2.689) 3.936 8.918 ( 0.000 -2.857 6.539) 7.136 9.407 ( 0.000 -5.612 -0.024) 5.612 ======================= Grid point 156 (53/168) ======================= q-point: ( 0.20 0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.910 ( 3.605 -3.717 20.006) 20.665 1.197 ( 10.642 1.945 17.255) 20.365 1.451 ( -9.666 -3.660 3.429) 10.890 1.775 ( -5.365 -1.423 -0.087) 5.551 1.907 ( 6.778 24.046 19.220) 31.521 2.143 ( 0.085 14.366 6.786) 15.888 2.660 ( 2.298 11.158 -2.732) 11.715 2.743 ( -0.143 11.684 -2.160) 11.882 3.061 ( -0.976 -1.079 -0.595) 1.572 3.264 ( -2.417 1.847 5.118) 5.954 3.544 ( 1.605 2.382 11.944) 12.285 3.724 ( -2.205 -1.594 3.100) 4.124 6.266 ( 0.794 11.367 7.442) 13.609 6.481 ( -3.603 8.876 9.776) 13.687 6.784 ( 4.456 0.229 1.198) 4.620 6.984 ( 5.305 -1.331 0.132) 5.471 7.115 ( 5.469 0.888 0.644) 5.578 7.299 ( -0.056 5.702 -0.780) 5.755 7.408 ( 6.165 0.736 2.175) 6.579 7.740 ( 0.948 -0.603 -9.132) 9.201 8.131 ( 0.924 -1.176 8.807) 8.933 8.271 ( -1.018 -1.486 6.095) 6.355 8.955 ( 5.274 -3.962 4.843) 8.183 9.402 ( -1.247 -5.998 -1.006) 6.208 ======================= Grid point 157 (54/168) ======================= q-point: ( 0.40 0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.040 ( 9.094 -0.483 11.532) 14.694 1.234 ( -10.254 -1.347 5.130) 11.545 1.431 ( 10.971 0.105 13.293) 17.236 1.631 ( -9.206 -0.484 7.267) 11.739 2.054 ( 6.714 17.470 12.503) 22.508 2.133 ( -1.630 12.659 7.300) 14.703 2.706 ( 2.148 11.930 -2.894) 12.463 2.735 ( -0.824 12.169 -2.461) 12.443 3.097 ( 4.067 0.068 1.202) 4.241 3.191 ( -4.914 1.155 3.663) 6.237 3.583 ( 2.816 0.879 9.258) 9.717 3.655 ( -4.259 -0.522 6.083) 7.444 6.314 ( 3.819 9.424 9.690) 14.046 6.399 ( -4.616 8.625 9.959) 13.960 6.913 ( 7.698 -2.045 1.674) 8.139 7.035 ( -2.888 -3.497 1.433) 4.756 7.144 ( 3.032 3.712 1.358) 4.982 7.235 ( -4.920 4.520 1.307) 6.808 7.622 ( 10.196 1.047 -5.843) 11.798 7.738 ( -2.156 -0.635 -8.149) 8.453 8.157 ( 2.162 -0.393 9.255) 9.512 8.220 ( -3.778 0.189 10.263) 10.938 9.133 ( 11.507 -5.869 -0.102) 12.917 9.326 ( -7.133 -6.362 -2.038) 9.772 ======================= Grid point 160 (55/168) ======================= q-point: ( 0.00 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 258 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.928 ( 0.000 14.467 7.960) 16.512 1.280 ( 0.000 13.267 13.304) 18.789 1.576 ( 0.000 7.173 -0.405) 7.184 1.785 ( 0.000 -0.597 -0.877) 1.061 2.294 ( 0.000 17.100 10.294) 19.960 2.505 ( 0.000 20.432 9.445) 22.510 2.866 ( 0.000 11.964 -2.940) 12.320 3.047 ( 0.000 18.501 -3.780) 18.883 3.072 ( 0.000 1.379 0.085) 1.381 3.372 ( 0.000 6.645 7.187) 9.788 3.624 ( 0.000 5.641 7.470) 9.360 3.698 ( 0.000 -0.688 1.414) 1.572 6.449 ( 0.000 5.645 -7.054) 9.034 6.720 ( 0.000 -1.462 2.854) 3.207 6.738 ( 0.000 8.757 -0.454) 8.769 6.963 ( 0.000 3.847 -3.532) 5.223 7.047 ( 0.000 2.126 4.287) 4.786 7.382 ( 0.000 0.771 5.962) 6.012 7.402 ( 0.000 6.359 -2.452) 6.815 7.721 ( 0.000 -0.755 -8.350) 8.384 8.088 ( 0.000 -1.527 9.934) 10.051 8.198 ( 0.000 -4.818 3.269) 5.822 8.861 ( 0.000 -2.570 2.815) 3.812 9.257 ( 0.000 -9.362 -1.374) 9.463 ======================= Grid point 161 (56/168) ======================= q-point: ( 0.20 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 422 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.995 ( 6.276 13.858 6.273) 16.456 1.346 ( 6.104 11.358 12.535) 17.983 1.487 ( -7.662 7.900 0.657) 11.025 1.756 ( -3.211 0.800 1.593) 3.672 2.322 ( 2.522 15.355 8.576) 17.767 2.472 ( -2.772 19.414 9.258) 21.686 2.904 ( 3.582 12.477 -3.724) 13.505 3.040 ( 0.834 14.797 -1.375) 14.884 3.085 ( 0.755 7.581 -1.396) 7.746 3.343 ( -2.828 6.502 6.623) 9.702 3.617 ( -0.611 4.258 7.127) 8.324 3.691 ( -1.296 -0.291 2.716) 3.024 6.450 ( 0.766 6.375 -3.725) 7.423 6.655 ( -3.510 7.083 1.131) 7.985 6.800 ( 2.945 1.608 2.061) 3.937 6.968 ( 2.746 -0.581 -0.840) 2.929 7.147 ( 4.442 2.085 1.937) 5.276 7.372 ( -1.509 2.342 3.935) 4.821 7.474 ( 8.163 5.209 -4.377) 10.627 7.721 ( 0.126 -1.385 -7.685) 7.810 8.107 ( 1.698 -0.971 8.514) 8.736 8.224 ( 1.960 -3.432 4.633) 6.090 8.873 ( 2.487 -3.763 2.692) 5.253 9.244 ( -1.816 -9.697 -1.950) 10.056 ======================= Grid point 162 (57/168) ======================= q-point: ( 0.40 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 422 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.144 ( 8.461 12.163 3.469) 15.217 1.311 ( -8.665 10.037 1.505) 13.345 1.506 ( 8.348 7.172 10.626) 15.298 1.658 ( -6.798 3.644 6.237) 9.920 2.374 ( 2.603 13.488 6.474) 15.186 2.421 ( -2.360 15.947 7.604) 17.824 2.985 ( 4.143 14.582 -4.881) 15.925 3.045 ( -1.644 17.847 -4.985) 18.603 3.142 ( 5.681 6.074 4.052) 9.251 3.261 ( -5.616 6.914 5.692) 10.571 3.614 ( 0.661 2.340 6.356) 6.805 3.648 ( -2.584 0.530 4.780) 5.460 6.492 ( 3.465 7.316 -0.164) 8.096 6.574 ( -4.600 7.719 0.979) 9.039 6.884 ( 5.365 -0.668 2.074) 5.791 6.976 ( -2.998 -2.609 1.379) 4.207 7.225 ( 4.809 4.337 1.572) 6.664 7.317 ( -4.069 3.971 2.182) 6.090 7.643 ( 6.819 0.667 -6.727) 9.602 7.716 ( -1.297 -1.734 -7.240) 7.557 8.156 ( 3.522 0.518 8.278) 9.011 8.224 ( -2.433 0.013 7.225) 7.624 8.993 ( 9.196 -7.669 -0.306) 11.978 9.163 ( -6.904 -9.708 -2.354) 12.143 ======================= Grid point 165 (58/168) ======================= q-point: ( 0.00 0.21 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.338 ( 0.000 24.584 -3.564) 24.841 1.558 ( 0.000 14.780 7.651) 16.643 1.806 ( 0.000 14.868 -1.796) 14.977 1.820 ( 0.000 4.041 1.191) 4.212 2.509 ( 0.000 7.336 0.344) 7.344 2.871 ( 0.000 13.736 2.283) 13.925 3.063 ( 0.000 7.694 0.623) 7.719 3.189 ( 0.000 11.773 5.649) 13.058 3.413 ( 0.000 16.174 -2.417) 16.353 3.549 ( 0.000 11.345 7.171) 13.422 3.615 ( 0.000 -0.372 -1.491) 1.537 3.858 ( 0.000 12.829 -3.028) 13.181 6.518 ( 0.000 2.600 -14.093) 14.331 6.699 ( 0.000 -0.689 1.996) 2.111 6.827 ( 0.000 -0.326 -7.159) 7.167 7.005 ( 0.000 1.724 -3.366) 3.781 7.082 ( 0.000 1.591 5.945) 6.154 7.424 ( 0.000 2.443 2.658) 3.610 7.511 ( 0.000 4.161 -3.721) 5.582 7.693 ( 0.000 -2.240 -5.688) 6.113 8.077 ( 0.000 0.838 7.760) 7.805 8.097 ( 0.000 -5.127 3.275) 6.084 8.820 ( 0.000 -1.810 -1.942) 2.654 9.061 ( 0.000 -10.306 -3.788) 10.980 ======================= Grid point 166 (59/168) ======================= q-point: ( 0.20 0.21 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.381 ( 4.084 23.263 -3.262) 23.843 1.597 ( 3.659 13.690 7.745) 16.149 1.724 ( -6.114 14.225 -1.191) 15.529 1.824 ( -1.192 6.722 2.379) 7.229 2.529 ( 2.033 7.681 0.320) 7.952 2.807 ( -5.660 12.940 1.516) 14.205 3.100 ( 3.733 7.660 0.319) 8.527 3.234 ( 4.274 12.378 5.651) 14.262 3.409 ( -1.082 13.955 -1.861) 14.120 3.515 ( -2.290 11.123 5.832) 12.767 3.636 ( 1.560 2.997 -1.159) 3.572 3.832 ( -2.750 12.384 -2.576) 12.944 6.524 ( 1.352 2.247 -10.866) 11.178 6.726 ( 0.067 0.819 -4.343) 4.420 6.837 ( 1.294 0.716 0.310) 1.511 6.949 ( -1.353 -0.471 -0.720) 1.603 7.189 ( 6.357 1.915 1.886) 6.902 7.423 ( -0.508 2.380 2.201) 3.281 7.555 ( 4.261 2.579 -5.153) 7.167 7.684 ( -0.668 -2.493 -5.512) 6.086 8.105 ( 2.710 0.780 6.279) 6.883 8.140 ( 3.966 -4.695 3.962) 7.312 8.819 ( 0.383 -2.008 -1.771) 2.705 9.045 ( -1.890 -10.190 -3.976) 11.100 ======================= Grid point 167 (60/168) ======================= q-point: ( 0.40 0.21 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.480 ( 5.738 20.482 -2.307) 21.395 1.596 ( -6.271 17.558 -1.297) 18.690 1.687 ( 4.880 10.921 7.201) 13.963 1.775 ( -3.770 8.215 5.090) 10.373 2.589 ( 4.172 9.028 0.291) 9.950 2.689 ( -5.976 11.138 0.663) 12.657 3.195 ( 5.601 7.458 -0.102) 9.328 3.287 ( -2.016 8.471 1.257) 8.797 3.399 ( 2.762 13.767 3.380) 14.442 3.470 ( -2.990 12.845 4.978) 14.097 3.678 ( 3.127 7.652 -1.952) 8.494 3.757 ( -4.560 11.167 -2.205) 12.263 6.580 ( 4.125 2.253 -7.859) 9.157 6.669 ( -4.626 2.133 -6.709) 8.423 6.885 ( 3.020 0.568 2.662) 4.066 6.933 ( -1.509 -1.504 0.880) 2.305 7.303 ( 5.397 3.194 0.919) 6.338 7.389 ( -3.173 2.954 1.376) 4.548 7.636 ( 3.110 -1.333 -5.823) 6.735 7.671 ( -0.850 -2.830 -5.482) 6.228 8.172 ( 3.530 0.694 5.375) 6.468 8.203 ( 1.136 -2.381 4.206) 4.965 8.865 ( 4.776 -5.063 -2.756) 7.486 8.975 ( -5.338 -8.927 -3.971) 11.134 ======================= Grid point 170 (61/168) ======================= q-point: ( 0.00 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 258 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.804 ( 0.000 21.774 -4.674) 22.270 1.837 ( 0.000 13.273 3.165) 13.645 1.933 ( 0.000 7.330 0.808) 7.374 2.089 ( 0.000 12.777 -0.571) 12.790 2.641 ( 0.000 7.218 -3.934) 8.221 3.047 ( 0.000 6.829 -5.551) 8.800 3.168 ( 0.000 3.568 1.979) 4.080 3.463 ( 0.000 -4.353 -0.158) 4.355 3.476 ( 0.000 15.003 5.270) 15.902 3.798 ( 0.000 13.627 5.234) 14.598 3.841 ( 0.000 16.362 -6.579) 17.635 4.122 ( 0.000 13.149 -9.601) 16.281 6.585 ( 0.000 4.821 -19.487) 20.075 6.694 ( 0.000 0.176 0.890) 0.907 6.769 ( 0.000 -3.579 -10.891) 11.464 7.040 ( 0.000 1.255 -3.905) 4.102 7.113 ( 0.000 1.665 7.052) 7.246 7.441 ( 0.000 -0.855 0.935) 1.267 7.533 ( 0.000 -2.729 -5.027) 5.720 7.643 ( 0.000 -2.364 -3.066) 3.871 8.015 ( 0.000 -2.758 0.633) 2.830 8.121 ( 0.000 3.191 1.836) 3.681 8.779 ( 0.000 -2.760 -5.054) 5.759 8.867 ( 0.000 -9.445 -6.430) 11.426 ======================= Grid point 171 (62/168) ======================= q-point: ( 0.20 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 422 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.820 ( 1.669 19.885 -3.490) 20.258 1.859 ( 2.182 13.102 2.987) 13.614 1.932 ( -0.279 9.033 0.857) 9.078 2.052 ( -3.301 13.308 -0.413) 13.718 2.668 ( 2.851 7.540 -3.857) 8.936 2.994 ( -5.048 7.723 -4.870) 10.433 3.204 ( 3.410 3.386 1.623) 5.072 3.424 ( -2.305 -0.446 0.435) 2.388 3.540 ( 4.447 11.348 4.437) 12.971 3.761 ( -2.666 12.928 3.953) 13.779 3.878 ( 2.804 16.269 -6.660) 17.802 4.099 ( -2.416 13.572 -9.156) 16.549 6.576 ( 0.582 3.744 -15.143) 15.610 6.724 ( -0.214 -0.313 -10.267) 10.274 6.810 ( 4.772 -1.805 -1.623) 5.354 6.980 ( -3.091 2.819 1.188) 4.349 7.208 ( 6.542 -0.090 1.581) 6.731 7.437 ( -0.557 -1.095 0.578) 1.358 7.552 ( 1.679 -3.519 -5.234) 6.527 7.634 ( -0.852 -2.345 -3.209) 4.065 8.053 ( 3.899 -2.972 0.493) 4.927 8.145 ( 2.112 2.420 1.691) 3.630 8.778 ( 0.011 -2.611 -5.350) 5.953 8.859 ( -1.000 -8.866 -6.470) 11.021 ======================= Grid point 172 (63/168) ======================= q-point: ( 0.40 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 422 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.863 ( 2.541 16.388 -0.946) 16.611 1.906 ( -0.273 12.272 2.045) 12.444 1.920 ( 1.640 13.424 0.489) 13.533 1.983 ( -3.544 13.405 0.171) 13.867 2.751 ( 5.531 8.294 -3.830) 10.679 2.874 ( -6.793 8.605 -4.075) 11.696 3.285 ( 4.544 2.144 1.057) 5.134 3.367 ( -3.692 0.097 0.473) 3.723 3.630 ( 4.480 11.946 4.085) 13.397 3.705 ( -3.233 11.964 3.642) 12.917 3.945 ( 4.122 15.822 -7.990) 18.198 4.031 ( -4.331 14.715 -8.549) 17.561 6.617 ( 3.255 2.503 -13.205) 13.829 6.684 ( -3.241 0.554 -12.517) 12.941 6.895 ( 3.194 0.475 2.106) 3.855 6.938 ( -1.663 2.034 2.151) 3.395 7.329 ( 5.489 -0.722 0.003) 5.536 7.409 ( -2.641 -1.166 -0.059) 2.887 7.585 ( 1.568 -4.186 -4.764) 6.533 7.613 ( -1.265 -3.146 -3.804) 5.096 8.144 ( 4.247 -2.606 0.746) 5.039 8.180 ( 0.645 0.102 1.402) 1.546 8.787 ( 1.200 -3.629 -6.181) 7.267 8.825 ( -2.335 -6.712 -6.607) 9.704 ======================= Grid point 175 (64/168) ======================= q-point: ( 0.00 0.36 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.044 ( 0.000 8.109 -0.508) 8.125 2.107 ( 0.000 9.796 0.461) 9.807 2.142 ( 0.000 12.464 -2.265) 12.668 2.271 ( 0.000 5.709 0.278) 5.716 2.813 ( 0.000 10.501 -5.646) 11.922 3.178 ( 0.000 6.572 -7.306) 9.827 3.221 ( 0.000 2.349 -0.603) 2.425 3.371 ( 0.000 -4.667 -3.108) 5.607 3.735 ( 0.000 11.804 -0.228) 11.806 4.048 ( 0.000 11.288 1.584) 11.398 4.101 ( 0.000 9.343 -5.841) 11.018 4.332 ( 0.000 7.688 -10.863) 13.309 6.703 ( 0.000 5.726 -18.272) 19.148 6.712 ( 0.000 1.802 -0.794) 1.969 6.752 ( 0.000 3.715 -16.572) 16.984 7.052 ( 0.000 0.509 -4.937) 4.963 7.147 ( 0.000 1.679 6.550) 6.762 7.404 ( 0.000 -2.478 0.758) 2.592 7.422 ( 0.000 -7.404 -6.596) 9.916 7.585 ( 0.000 -4.221 -1.890) 4.625 8.005 ( 0.000 1.684 -5.485) 5.738 8.174 ( 0.000 1.690 -4.436) 4.747 8.695 ( 0.000 -8.230 -7.484) 11.124 8.707 ( 0.000 -4.638 -6.073) 7.642 ======================= Grid point 176 (65/168) ======================= q-point: ( 0.20 0.36 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.055 ( 1.124 8.326 -0.325) 8.408 2.109 ( 0.345 9.912 0.620) 9.937 2.157 ( 1.097 11.582 -2.258) 11.851 2.252 ( -1.734 6.746 -0.136) 6.967 2.843 ( 3.039 10.361 -5.480) 12.108 3.135 ( -3.816 6.722 -6.109) 9.852 3.256 ( 2.665 2.406 -1.231) 3.795 3.363 ( -0.735 -3.746 -2.936) 4.816 3.777 ( 3.756 11.417 -0.304) 12.023 3.997 ( -3.501 10.747 0.002) 11.303 4.141 ( 2.733 9.732 -5.850) 11.680 4.315 ( -1.716 7.884 -10.446) 13.199 6.676 ( 0.323 6.085 -13.712) 15.005 6.746 ( -0.515 3.320 -15.477) 15.837 6.811 ( 6.178 2.431 -4.501) 8.021 7.037 ( -1.423 2.853 -0.493) 3.226 7.192 ( 4.102 -1.175 2.518) 4.954 7.386 ( -1.321 -4.262 -0.993) 4.571 7.443 ( 1.448 -6.329 -5.424) 8.460 7.569 ( -1.607 -4.891 -2.354) 5.661 8.039 ( 3.545 1.631 -5.071) 6.399 8.189 ( 1.160 1.876 -3.688) 4.297 8.694 ( -0.037 -7.763 -7.881) 11.063 8.708 ( 0.009 -5.041 -6.737) 8.414 ======================= Grid point 177 (66/168) ======================= q-point: ( 0.40 0.36 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.085 ( 1.815 8.772 0.063) 8.958 2.111 ( -0.520 9.180 0.531) 9.211 2.179 ( 1.377 10.561 -1.774) 10.797 2.214 ( -2.038 8.779 -0.941) 9.061 2.927 ( 5.393 9.728 -5.284) 12.314 3.039 ( -5.794 8.360 -5.472) 11.550 3.307 ( 2.407 0.681 -1.367) 2.851 3.344 ( -1.359 -1.728 -2.203) 3.113 3.857 ( 4.086 10.939 -0.581) 11.691 3.930 ( -3.487 10.719 -0.644) 11.290 4.199 ( 3.350 9.272 -7.890) 12.627 4.266 ( -3.243 8.501 -9.438) 13.110 6.701 ( 1.713 6.288 -15.482) 16.798 6.730 ( -1.178 4.777 -15.837) 16.584 6.923 ( 4.940 2.704 0.797) 5.688 6.998 ( -2.804 3.936 2.291) 5.348 7.280 ( 4.361 -3.981 -0.511) 5.927 7.349 ( -2.661 -4.691 -1.427) 5.579 7.478 ( 2.252 -6.643 -5.083) 8.663 7.527 ( -2.540 -5.993 -3.470) 7.376 8.129 ( 4.899 1.454 -3.529) 6.210 8.194 ( -1.303 1.764 -2.624) 3.420 8.694 ( 0.161 -6.859 -8.685) 11.068 8.703 ( -0.537 -5.696 -8.121) 9.934 ======================= Grid point 180 (67/168) ======================= q-point: ( 0.00 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 258 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.181 ( 0.000 6.080 -2.059) 6.420 2.264 ( 0.000 5.860 -0.271) 5.867 2.299 ( 0.000 4.311 -1.244) 4.486 2.320 ( 0.000 -0.214 -0.791) 0.820 3.022 ( 0.000 9.971 -4.927) 11.122 3.268 ( 0.000 1.687 -4.681) 4.975 3.283 ( 0.000 3.607 -6.989) 7.865 3.285 ( 0.000 -3.670 -4.067) 5.478 3.946 ( 0.000 9.994 -4.054) 10.785 4.190 ( 0.000 -0.038 -5.437) 5.438 4.230 ( 0.000 7.674 -2.454) 8.057 4.408 ( 0.000 0.181 -8.570) 8.572 6.764 ( 0.000 3.423 -3.260) 4.727 6.814 ( 0.000 7.519 -13.328) 15.303 6.854 ( 0.000 2.383 -13.766) 13.971 7.107 ( 0.000 6.620 -10.602) 12.499 7.143 ( 0.000 -4.127 -0.119) 4.129 7.296 ( 0.000 -3.654 -5.136) 6.303 7.358 ( 0.000 -1.926 0.017) 1.926 7.478 ( 0.000 -6.548 -5.198) 8.360 8.065 ( 0.000 3.918 -10.545) 11.250 8.179 ( 0.000 -1.124 -8.736) 8.808 8.561 ( 0.000 -4.872 -5.875) 7.632 8.606 ( 0.000 -5.275 -5.367) 7.526 ======================= Grid point 181 (68/168) ======================= q-point: ( 0.20 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 422 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.194 ( 1.311 6.034 -2.022) 6.498 2.264 ( -0.027 5.762 -0.441) 5.779 2.305 ( 0.403 3.978 -1.576) 4.297 2.319 ( -0.036 0.650 -1.052) 1.237 3.046 ( 2.373 9.568 -4.858) 10.990 3.245 ( -2.153 4.369 -5.441) 7.303 3.287 ( 0.864 -3.047 -5.218) 6.104 3.305 ( 0.955 0.938 -4.110) 4.323 3.982 ( 3.280 9.696 -4.204) 11.066 4.164 ( -2.036 5.481 -4.647) 7.469 4.251 ( 1.604 2.721 -4.423) 5.435 4.392 ( -1.648 0.029 -8.593) 8.750 6.801 ( 3.175 6.163 -7.289) 10.060 6.836 ( 1.891 6.148 -11.167) 12.887 6.900 ( 4.548 4.202 -12.359) 13.823 7.095 ( -0.687 4.103 -6.565) 7.772 7.165 ( 1.721 -2.843 0.525) 3.364 7.275 ( -1.895 -4.570 -5.727) 7.568 7.351 ( -0.979 -3.479 -1.712) 3.999 7.445 ( -3.000 -7.567 -5.422) 9.780 8.105 ( 3.984 4.615 -9.535) 11.317 8.215 ( 3.110 0.714 -7.638) 8.278 8.553 ( -0.737 -5.899 -6.838) 9.061 8.599 ( -0.811 -5.919 -6.159) 8.581 ======================= Grid point 182 (69/168) ======================= q-point: ( 0.40 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 422 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.227 ( 1.951 5.823 -1.749) 6.385 2.257 ( -0.887 5.658 -1.084) 5.829 2.310 ( 0.320 3.179 -1.727) 3.632 2.318 ( -0.270 2.377 -1.552) 2.852 3.109 ( 3.928 8.339 -4.869) 10.425 3.187 ( -3.756 6.423 -5.205) 9.080 3.305 ( 0.888 -2.277 -4.305) 4.951 3.315 ( 0.019 -0.359 -3.688) 3.706 4.054 ( 3.754 9.353 -4.400) 10.996 4.118 ( -2.769 8.687 -4.515) 10.174 4.291 ( 2.582 0.249 -6.820) 7.297 4.346 ( -2.856 -0.154 -8.253) 8.735 6.854 ( 2.013 9.216 -14.360) 17.182 6.871 ( 0.701 8.749 -13.582) 16.171 7.003 ( 5.566 5.462 -3.220) 8.437 7.084 ( -1.622 4.510 0.309) 4.803 7.190 ( 1.215 -4.623 -0.256) 4.787 7.234 ( -2.405 -6.945 -5.145) 8.971 7.337 ( 0.689 -7.558 -5.747) 9.519 7.382 ( -3.206 -8.666 -5.241) 10.623 8.201 ( 5.015 5.672 -6.870) 10.223 8.257 ( -0.007 4.710 -5.462) 7.213 8.544 ( 0.363 -8.258 -8.977) 12.203 8.571 ( -1.909 -7.631 -8.161) 11.335 ======================= Grid point 185 (70/168) ======================= q-point: ( 0.00 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.278 ( 0.000 -3.800 -2.017) 4.302 2.278 ( 0.000 3.800 -2.017) 4.302 2.330 ( 0.000 -0.918 -0.875) 1.268 2.330 ( 0.000 0.918 -0.875) 1.268 3.180 ( 0.000 -6.339 -4.879) 7.999 3.180 ( 0.000 6.339 -4.879) 7.999 3.309 ( 0.000 -0.795 -5.998) 6.050 3.309 ( 0.000 0.795 -5.998) 6.050 4.116 ( 0.000 -6.928 -5.264) 8.702 4.116 ( 0.000 6.928 -5.264) 8.702 4.355 ( 0.000 -5.027 -5.607) 7.531 4.355 ( 0.000 5.027 -5.607) 7.531 6.833 ( 0.000 -3.149 -6.383) 7.118 6.833 ( 0.000 3.149 -6.383) 7.118 6.989 ( 0.000 -9.684 -10.445) 14.243 6.989 ( 0.000 9.684 -10.445) 14.244 7.255 ( 0.000 -4.663 -4.200) 6.276 7.255 ( 0.000 4.663 -4.200) 6.276 7.355 ( 0.000 -3.589 -7.265) 8.103 7.355 ( 0.000 3.589 -7.265) 8.103 8.137 ( 0.000 -3.063 -11.505) 11.906 8.137 ( 0.000 3.063 -11.505) 11.906 8.529 ( 0.000 -1.733 -4.264) 4.603 8.529 ( 0.000 1.733 -4.264) 4.603 ======================= Grid point 187 (71/168) ======================= q-point: ( 0.20 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.287 ( 0.853 -3.353 -2.228) 4.115 2.287 ( 0.853 3.353 -2.228) 4.115 2.332 ( 0.146 -1.047 -1.108) 1.532 2.332 ( 0.146 1.047 -1.108) 1.532 3.197 ( 1.606 -5.954 -4.821) 7.828 3.197 ( 1.606 5.954 -4.821) 7.828 3.305 ( -0.520 -1.665 -5.548) 5.815 3.305 ( -0.520 1.665 -5.548) 5.815 4.143 ( 2.631 -6.185 -5.693) 8.809 4.143 ( 2.631 6.185 -5.693) 8.809 4.335 ( -1.943 -4.976 -5.878) 7.942 4.335 ( -1.943 4.976 -5.878) 7.942 6.889 ( 5.343 -3.091 -5.846) 8.502 6.889 ( 5.343 3.091 -5.846) 8.502 7.012 ( 2.328 -9.441 -10.500) 14.311 7.012 ( 2.328 9.441 -10.500) 14.311 7.236 ( -1.993 -5.251 -5.310) 7.730 7.236 ( -1.993 5.251 -5.310) 7.730 7.312 ( -4.022 -2.034 -5.491) 7.104 7.312 ( -4.022 2.034 -5.491) 7.104 8.193 ( 5.360 -3.485 -10.936) 12.667 8.193 ( 5.360 3.485 -10.936) 12.667 8.509 ( -2.153 -2.034 -4.845) 5.679 8.509 ( -2.153 2.034 -4.845) 5.679 ======================= Grid point 189 (72/168) ======================= q-point: ( 0.40 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.309 ( 1.283 -2.351 -2.251) 3.498 2.309 ( 1.283 2.351 -2.251) 3.498 2.329 ( -0.621 -1.459 -1.726) 2.344 2.329 ( -0.621 1.459 -1.726) 2.344 3.238 ( 2.454 -4.877 -4.714) 7.213 3.238 ( 2.454 4.877 -4.714) 7.213 3.282 ( -1.888 -3.276 -4.894) 6.185 3.282 ( -1.888 3.276 -4.894) 6.185 4.209 ( 3.861 -5.114 -6.330) 9.007 4.209 ( 3.861 5.114 -6.330) 9.007 4.282 ( -3.448 -4.873 -6.345) 8.712 4.282 ( -3.448 4.873 -6.345) 8.712 7.009 ( 6.079 -1.764 -6.991) 9.431 7.009 ( 6.079 1.764 -6.991) 9.431 7.065 ( 1.758 -5.652 -10.276) 11.859 7.065 ( 1.758 5.652 -10.276) 11.859 7.185 ( -2.103 -6.966 -5.515) 9.130 7.185 ( -2.103 6.966 -5.515) 9.130 7.222 ( -4.597 -5.574 -2.709) 7.716 7.222 ( -4.597 5.574 -2.709) 7.716 8.319 ( 6.962 -3.470 -9.049) 11.932 8.319 ( 6.962 3.470 -9.049) 11.932 8.440 ( -5.066 -2.772 -6.593) 8.765 8.440 ( -5.066 2.772 -6.593) 8.765 ======================= Grid point 225 (73/168) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.324 ( 0.000 0.000 13.194) 13.194 1.682 ( 0.000 0.000 18.472) 18.472 1.718 ( 0.000 0.000 10.737) 10.737 1.752 ( 0.000 0.000 -2.647) 2.647 1.941 ( 0.000 0.000 10.888) 10.888 2.033 ( 0.000 0.000 9.530) 9.530 2.512 ( 0.000 0.000 -0.461) 0.461 2.607 ( 0.000 0.000 -1.315) 1.315 3.072 ( 0.000 0.000 -0.139) 0.139 3.413 ( 0.000 0.000 8.481) 8.481 3.756 ( 0.000 0.000 11.488) 11.488 3.781 ( 0.000 0.000 0.271) 0.271 6.440 ( 0.000 0.000 17.498) 17.498 6.714 ( 0.000 0.000 14.674) 14.674 6.847 ( 0.000 0.000 1.276) 1.276 6.847 ( 0.000 0.000 1.575) 1.575 7.007 ( 0.000 0.000 2.455) 2.455 7.231 ( 0.000 0.000 0.076) 0.076 7.534 ( 0.000 0.000 5.426) 5.426 7.556 ( 0.000 0.000 -5.803) 5.803 8.343 ( 0.000 0.000 9.645) 9.645 8.366 ( 0.000 0.000 3.958) 3.958 9.110 ( 0.000 0.000 7.874) 7.874 9.461 ( 0.000 0.000 -0.494) 0.494 ======================= Grid point 226 (74/168) ======================= q-point: ( 0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.329 ( 0.794 0.000 14.871) 14.892 1.611 ( -9.638 0.000 4.882) 10.804 1.713 ( 3.101 0.000 17.357) 17.632 1.803 ( 7.027 0.000 5.965) 9.217 1.993 ( -3.830 0.000 10.143) 10.842 2.006 ( 3.373 0.000 5.416) 6.380 2.532 ( 1.761 0.000 -0.583) 1.855 2.605 ( -0.237 0.000 -1.300) 1.322 3.081 ( 1.734 0.000 2.554) 3.087 3.371 ( -3.600 0.000 7.685) 8.486 3.757 ( -0.356 0.000 8.630) 8.638 3.796 ( 0.698 0.000 3.368) 3.439 6.465 ( 2.486 0.000 17.088) 17.268 6.681 ( -3.036 0.000 14.552) 14.865 6.824 ( 4.819 0.000 2.711) 5.529 7.041 ( 3.128 0.000 2.604) 4.070 7.065 ( 11.396 0.000 -2.853) 11.747 7.217 ( -1.434 0.000 0.425) 1.495 7.475 ( -2.373 0.000 1.628) 2.878 7.601 ( 1.755 0.000 -3.226) 3.673 8.329 ( 0.120 0.000 8.430) 8.431 8.405 ( 1.964 0.000 5.542) 5.880 9.129 ( 2.586 0.000 7.242) 7.690 9.443 ( -2.204 0.000 -0.916) 2.387 ======================= Grid point 227 (75/168) ======================= q-point: ( 0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.362 ( 2.826 0.000 14.545) 14.817 1.449 ( -6.401 0.000 10.683) 12.454 1.795 ( 5.095 0.000 14.731) 15.587 1.900 ( -5.455 0.000 11.992) 13.175 1.947 ( 6.585 0.000 0.881) 6.644 2.028 ( -1.452 0.000 1.839) 2.343 2.568 ( 1.759 0.000 -0.899) 1.976 2.594 ( -0.909 0.000 -1.184) 1.493 3.158 ( 5.876 0.000 5.552) 8.084 3.279 ( -5.887 0.000 6.747) 8.954 3.758 ( 0.752 0.000 7.315) 7.353 3.784 ( -1.545 0.000 5.923) 6.122 6.529 ( 3.940 0.000 16.082) 16.557 6.609 ( -4.116 0.000 15.027) 15.581 6.980 ( 9.599 0.000 1.933) 9.792 7.111 ( 3.699 0.000 2.213) 4.311 7.136 ( -4.604 0.000 -0.446) 4.625 7.176 ( -2.817 0.000 1.294) 3.100 7.516 ( 5.783 0.000 -3.468) 6.743 7.602 ( -2.106 0.000 -4.744) 5.191 8.358 ( 2.638 0.000 8.574) 8.971 8.409 ( -1.749 0.000 7.127) 7.339 9.226 ( 7.046 0.000 3.420) 7.833 9.363 ( -6.094 0.000 -0.300) 6.101 ======================= Grid point 230 (76/168) ======================= q-point: ( 0.00 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.361 ( 0.000 -15.177 20.433) 25.453 1.378 ( 0.000 5.317 12.116) 13.232 1.658 ( 0.000 -7.444 6.317) 9.763 1.757 ( 0.000 0.711 -0.974) 1.206 2.186 ( 0.000 17.909 11.737) 21.412 2.288 ( 0.000 17.227 6.099) 18.275 2.610 ( 0.000 9.268 -0.650) 9.291 2.700 ( 0.000 9.576 -2.189) 9.823 3.070 ( 0.000 0.452 1.724) 1.782 3.435 ( 0.000 2.335 8.066) 8.398 3.757 ( 0.000 -0.930 6.214) 6.284 3.763 ( 0.000 -0.993 3.730) 3.860 6.451 ( 0.000 0.134 11.923) 11.923 6.743 ( 0.000 2.565 11.466) 11.749 6.812 ( 0.000 -2.670 1.823) 3.233 6.878 ( 0.000 3.042 1.444) 3.367 7.059 ( 0.000 4.143 3.127) 5.191 7.268 ( 0.000 3.784 -0.425) 3.807 7.519 ( 0.000 -1.412 5.299) 5.484 7.560 ( 0.000 0.354 -5.959) 5.970 8.320 ( 0.000 -2.241 9.068) 9.341 8.338 ( 0.000 -2.802 3.774) 4.700 9.049 ( 0.000 -5.849 6.301) 8.597 9.396 ( 0.000 -6.594 -1.031) 6.674 ======================= Grid point 231 (77/168) ======================= q-point: ( 0.20 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.310 ( -0.718 -5.001 17.857) 18.558 1.489 ( 3.438 -4.422 11.249) 12.567 1.575 ( -2.917 -3.702 8.542) 9.756 1.784 ( 0.777 -1.824 1.826) 2.696 2.200 ( 1.145 16.834 9.462) 19.345 2.276 ( -0.954 16.666 5.745) 17.655 2.627 ( 1.629 9.248 -0.962) 9.440 2.699 ( -0.157 9.675 -2.133) 9.909 3.084 ( 2.227 0.969 3.918) 4.609 3.392 ( -3.659 2.368 7.338) 8.535 3.748 ( -0.600 -1.184 5.553) 5.709 3.782 ( 0.659 -1.181 4.756) 4.945 6.479 ( 2.719 0.613 12.452) 12.761 6.701 ( -3.243 1.597 11.393) 11.953 6.831 ( 4.301 0.782 2.926) 5.260 6.992 ( 6.563 -1.751 0.651) 6.823 7.135 ( 5.466 3.649 1.166) 6.674 7.266 ( 0.349 4.927 -1.223) 5.088 7.467 ( -2.229 -0.714 1.793) 2.948 7.597 ( 1.654 -0.377 -3.647) 4.023 8.308 ( 0.318 -2.055 7.773) 8.047 8.379 ( 2.177 -2.563 5.129) 6.133 9.068 ( 2.458 -5.958 5.932) 8.760 9.376 ( -2.308 -6.717 -1.377) 7.235 ======================= Grid point 232 (78/168) ======================= q-point: ( 0.40 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.330 ( 2.577 -3.403 15.456) 16.035 1.408 ( -5.387 -3.018 11.164) 12.758 1.670 ( 6.397 -3.400 9.658) 12.073 1.764 ( -2.989 -3.077 5.690) 7.126 2.226 ( 1.591 15.489 5.308) 16.450 2.256 ( -1.296 15.326 4.599) 16.053 2.663 ( 1.805 9.487 -1.569) 9.784 2.690 ( -0.889 9.776 -1.987) 10.015 3.171 ( 6.310 1.810 6.157) 9.000 3.299 ( -6.076 2.216 6.719) 9.326 3.746 ( 0.600 -1.306 5.878) 6.051 3.770 ( -1.476 -1.420 5.549) 5.915 6.546 ( 3.981 1.159 12.638) 13.301 6.627 ( -4.178 1.407 12.005) 12.788 6.964 ( 7.871 -1.172 2.868) 8.459 7.069 ( -0.617 -2.550 1.577) 3.061 7.173 ( 1.584 3.330 1.557) 4.003 7.245 ( -3.885 4.983 -0.459) 6.335 7.516 ( 5.913 0.107 -3.726) 6.990 7.599 ( -1.921 -0.311 -4.708) 5.095 8.340 ( 2.701 -1.733 7.727) 8.367 8.389 ( -1.470 -1.940 6.287) 6.741 9.161 ( 6.819 -6.464 2.718) 9.781 9.295 ( -6.059 -6.772 -0.735) 9.117 ======================= Grid point 235 (79/168) ======================= q-point: ( 0.00 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.192 ( 0.000 -0.556 16.223) 16.232 1.517 ( 0.000 8.704 9.490) 12.878 1.618 ( 0.000 4.022 4.367) 5.937 1.789 ( 0.000 2.652 1.741) 3.172 2.428 ( 0.000 7.418 4.070) 8.461 2.639 ( 0.000 16.210 2.471) 16.397 2.834 ( 0.000 12.862 -0.611) 12.877 2.970 ( 0.000 17.502 -3.842) 17.919 3.129 ( 0.000 6.603 6.165) 9.034 3.513 ( 0.000 5.910 6.611) 8.867 3.693 ( 0.000 -4.643 -0.370) 4.658 3.768 ( 0.000 0.619 4.921) 4.960 6.417 ( 0.000 -3.588 3.102) 4.743 6.763 ( 0.000 -2.310 1.138) 2.575 6.784 ( 0.000 0.776 4.656) 4.720 6.941 ( 0.000 2.509 1.017) 2.707 7.138 ( 0.000 3.653 4.419) 5.734 7.367 ( 0.000 5.821 -1.019) 5.910 7.488 ( 0.000 -1.377 4.250) 4.468 7.567 ( 0.000 0.287 -6.405) 6.411 8.259 ( 0.000 -5.240 2.972) 6.024 8.264 ( 0.000 -3.376 7.316) 8.057 8.907 ( 0.000 -8.045 1.853) 8.256 9.215 ( 0.000 -11.532 -2.705) 11.845 ======================= Grid point 236 (80/168) ======================= q-point: ( 0.20 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.223 ( 3.103 0.873 14.772) 15.120 1.525 ( -4.145 5.781 6.043) 9.333 1.597 ( 3.398 6.120 8.605) 11.092 1.800 ( 0.272 2.834 2.995) 4.132 2.438 ( 0.961 7.876 3.803) 8.799 2.600 ( -3.560 14.365 2.581) 15.022 2.858 ( 2.355 13.475 -1.128) 13.726 2.972 ( 0.015 17.632 -3.841) 18.045 3.156 ( 3.227 7.394 6.842) 10.578 3.470 ( -3.700 5.673 5.790) 8.910 3.697 ( 0.086 -3.965 0.894) 4.065 3.766 ( -0.690 -0.356 4.424) 4.491 6.457 ( 3.720 -3.175 4.035) 6.340 6.715 ( -3.088 -0.741 4.640) 5.623 6.855 ( 4.375 1.450 2.627) 5.305 6.973 ( 3.795 -0.896 1.230) 4.089 7.196 ( 3.367 2.739 2.647) 5.084 7.384 ( 1.622 6.335 -2.195) 6.898 7.454 ( -1.487 -0.434 1.294) 2.018 7.587 ( 1.110 -0.724 -4.601) 4.788 8.254 ( 1.014 -3.442 5.354) 6.445 8.311 ( 2.816 -4.317 4.352) 6.746 8.919 ( 1.746 -8.534 1.979) 8.933 9.194 ( -2.401 -11.534 -2.887) 12.130 ======================= Grid point 237 (81/168) ======================= q-point: ( 0.40 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.304 ( 4.999 3.291 11.613) 13.064 1.411 ( -6.032 4.884 8.235) 11.316 1.699 ( 5.336 4.966 7.852) 10.714 1.779 ( -2.633 3.583 5.480) 7.057 2.467 ( 2.214 9.179 3.199) 9.969 2.526 ( -3.662 11.287 2.761) 12.183 2.914 ( 2.975 15.097 -2.357) 15.567 2.960 ( -1.521 16.877 -3.450) 17.293 3.255 ( 6.481 7.568 6.629) 11.968 3.379 ( -5.715 6.338 5.664) 10.243 3.703 ( 0.873 -3.067 2.525) 4.067 3.734 ( -2.117 -1.984 3.727) 4.723 6.544 ( 4.966 -1.916 5.339) 7.539 6.639 ( -4.612 -0.813 5.458) 7.192 6.949 ( 5.115 -0.178 3.629) 6.274 7.021 ( -0.933 -2.526 2.404) 3.610 7.248 ( 3.718 3.984 0.721) 5.497 7.339 ( -4.729 4.282 -0.363) 6.390 7.523 ( 5.277 0.594 -4.395) 6.894 7.588 ( -1.337 -0.825 -4.651) 4.909 8.297 ( 2.963 -2.561 5.150) 6.470 8.339 ( -0.553 -3.087 4.142) 5.195 8.993 ( 5.792 -10.160 0.296) 11.699 9.115 ( -5.770 -11.275 -2.266) 12.867 ======================= Grid point 240 (82/168) ======================= q-point: ( 0.00 0.21 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.352 ( 0.000 15.760 5.450) 16.675 1.706 ( 0.000 10.386 6.497) 12.251 1.800 ( 0.000 13.447 1.030) 13.487 1.859 ( 0.000 4.435 2.738) 5.212 2.517 ( 0.000 2.871 0.530) 2.919 2.855 ( 0.000 6.377 -2.592) 6.884 3.071 ( 0.000 10.297 0.015) 10.297 3.333 ( 0.000 12.965 7.327) 14.892 3.347 ( 0.000 20.306 -4.640) 20.829 3.581 ( 0.000 -6.730 -1.329) 6.860 3.665 ( 0.000 9.517 4.249) 10.422 3.796 ( 0.000 2.860 -3.048) 4.179 6.328 ( 0.000 -4.911 -4.352) 6.562 6.722 ( 0.000 -1.861 -0.003) 1.861 6.739 ( 0.000 -5.699 -1.152) 5.814 6.968 ( 0.000 0.742 -0.443) 0.864 7.200 ( 0.000 2.754 5.241) 5.921 7.464 ( 0.000 3.029 -1.034) 3.200 7.472 ( 0.000 -0.611 1.661) 1.770 7.568 ( 0.000 0.020 -6.438) 6.438 8.137 ( 0.000 -7.240 0.832) 7.288 8.192 ( 0.000 -3.882 3.762) 5.406 8.762 ( 0.000 -6.506 -3.471) 7.374 8.966 ( 0.000 -13.462 -5.492) 14.539 ======================= Grid point 241 (83/168) ======================= q-point: ( 0.20 0.21 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.392 ( 3.922 15.522 4.936) 16.753 1.717 ( -3.445 12.832 2.699) 13.558 1.758 ( 1.561 9.869 5.704) 11.506 1.881 ( 0.886 5.440 3.150) 6.348 2.538 ( 2.076 3.388 0.630) 4.023 2.800 ( -4.972 6.722 -1.573) 8.508 3.104 ( 3.248 10.517 -0.154) 11.008 3.332 ( -0.948 16.131 -0.668) 16.172 3.381 ( 3.697 16.083 2.559) 16.700 3.561 ( -1.529 -1.588 -0.681) 2.307 3.655 ( -0.712 5.099 2.833) 5.876 3.780 ( -2.092 2.639 -2.551) 4.225 6.369 ( 4.074 -5.101 -3.380) 7.351 6.662 ( -3.269 -4.775 -0.967) 5.867 6.859 ( 7.450 -1.890 0.547) 7.706 6.960 ( -0.086 0.659 1.496) 1.637 7.242 ( 3.259 1.829 2.875) 4.715 7.450 ( -1.299 -0.226 -0.419) 1.383 7.485 ( 1.508 3.158 -1.318) 3.740 7.568 ( -0.013 -0.999 -5.534) 5.623 8.168 ( 3.088 -5.887 0.924) 6.712 8.219 ( 2.540 -4.605 3.111) 6.110 8.763 ( 0.366 -7.085 -3.411) 7.872 8.948 ( -2.100 -13.181 -5.587) 14.470 ======================= Grid point 242 (84/168) ======================= q-point: ( 0.40 0.21 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.490 ( 5.833 15.044 3.907) 16.601 1.608 ( -6.166 14.442 2.871) 15.964 1.827 ( 3.589 7.570 6.065) 10.343 1.877 ( -1.432 6.102 4.687) 7.827 2.597 ( 4.018 4.829 0.570) 6.308 2.692 ( -5.592 6.317 -0.156) 8.438 3.188 ( 5.038 11.354 -0.699) 12.441 3.282 ( -4.145 13.638 -1.411) 14.324 3.471 ( 4.769 14.006 2.745) 15.048 3.535 ( -1.651 8.212 0.790) 8.413 3.653 ( 1.212 0.108 0.154) 1.226 3.713 ( -4.232 1.149 -1.923) 4.788 6.471 ( 5.897 -5.171 -1.871) 8.063 6.581 ( -5.130 -5.024 -1.217) 7.283 6.958 ( 2.363 0.766 3.535) 4.321 6.974 ( 0.740 -1.626 2.400) 2.992 7.314 ( 4.448 2.397 -0.028) 5.053 7.400 ( -3.815 1.595 -0.825) 4.217 7.532 ( 2.514 0.051 -3.907) 4.646 7.563 ( -0.702 -1.703 -4.630) 4.983 8.239 ( 3.364 -3.714 1.361) 5.192 8.265 ( 1.089 -4.583 1.877) 5.071 8.794 ( 3.268 -9.594 -4.138) 10.947 8.880 ( -4.711 -12.185 -5.345) 14.116 ======================= Grid point 245 (85/168) ======================= q-point: ( 0.00 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.730 ( 0.000 20.998 -1.699) 21.067 1.907 ( 0.000 9.443 3.723) 10.150 1.961 ( 0.000 6.538 1.906) 6.810 2.080 ( 0.000 13.585 -0.495) 13.594 2.576 ( 0.000 3.856 -2.277) 4.478 2.942 ( 0.000 3.817 -4.733) 6.080 3.194 ( 0.000 2.112 -0.160) 2.118 3.442 ( 0.000 -7.243 -1.987) 7.511 3.566 ( 0.000 10.048 3.307) 10.578 3.724 ( 0.000 17.380 -4.224) 17.886 3.868 ( 0.000 10.632 1.575) 10.748 3.899 ( 0.000 7.780 -12.115) 14.398 6.258 ( 0.000 -1.331 -11.525) 11.602 6.596 ( 0.000 -7.479 -5.408) 9.230 6.691 ( 0.000 -1.268 -1.378) 1.873 6.977 ( 0.000 0.027 -2.233) 2.233 7.246 ( 0.000 2.048 5.211) 5.599 7.440 ( 0.000 -5.599 -4.356) 7.094 7.449 ( 0.000 -1.864 -0.316) 1.891 7.583 ( 0.000 0.851 -2.433) 2.578 7.982 ( 0.000 -8.393 -3.876) 9.245 8.118 ( 0.000 -3.600 -2.049) 4.142 8.653 ( 0.000 -4.891 -6.761) 8.345 8.715 ( 0.000 -11.804 -8.382) 14.477 ======================= Grid point 246 (86/168) ======================= q-point: ( 0.20 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.758 ( 2.798 20.083 -1.504) 20.333 1.932 ( 2.245 8.692 3.835) 9.762 1.960 ( -0.575 8.735 1.693) 8.916 2.048 ( -2.591 12.269 0.001) 12.540 2.604 ( 2.900 4.163 -2.253) 5.551 2.900 ( -4.055 4.591 -4.211) 7.433 3.227 ( 3.188 1.934 -0.097) 3.731 3.419 ( -1.809 -5.513 -0.882) 5.869 3.609 ( 3.553 8.925 1.865) 9.785 3.732 ( 0.848 16.288 -4.766) 16.992 3.816 ( -3.482 9.649 -2.523) 10.564 3.902 ( -1.054 9.372 -8.137) 12.456 6.291 ( 3.298 -2.017 -10.449) 11.141 6.547 ( -3.251 -5.991 -5.958) 9.053 6.809 ( 8.571 -2.221 -0.467) 8.866 6.990 ( 1.015 1.648 0.131) 1.940 7.263 ( 1.957 0.379 2.639) 3.307 7.432 ( -1.159 -1.987 -2.422) 3.340 7.458 ( 1.135 -5.484 -2.931) 6.321 7.572 ( -1.098 0.430 -2.406) 2.679 8.024 ( 4.335 -8.250 -3.458) 9.940 8.142 ( 2.212 -3.412 -1.856) 4.470 8.646 ( -0.745 -5.248 -7.185) 8.929 8.703 ( -1.386 -11.467 -8.727) 14.477 ======================= Grid point 247 (87/168) ======================= q-point: ( 0.40 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.830 ( 4.335 18.027 -0.968) 18.566 1.914 ( -3.963 15.003 0.020) 15.517 1.979 ( 2.192 7.733 3.599) 8.807 2.011 ( -1.291 7.900 2.262) 8.318 2.685 ( 5.261 4.933 -2.475) 7.625 2.798 ( -6.028 5.317 -3.207) 8.654 3.303 ( 4.169 0.499 0.221) 4.204 3.375 ( -2.969 -2.716 0.177) 4.028 3.676 ( 3.092 8.448 -0.828) 9.034 3.731 ( -2.337 8.726 -2.395) 9.345 3.790 ( 2.327 14.002 -5.963) 15.396 3.855 ( -3.455 11.636 -7.170) 14.097 6.376 ( 5.085 -3.476 -8.660) 10.628 6.473 ( -4.528 -4.966 -7.227) 9.869 6.946 ( 4.733 -0.396 1.825) 5.088 6.996 ( -0.808 2.229 2.981) 3.809 7.324 ( 3.814 -1.802 -1.357) 4.431 7.391 ( -2.915 -2.490 -2.326) 4.484 7.494 ( 2.360 -4.094 -3.534) 5.901 7.540 ( -2.180 -1.303 -2.753) 3.746 8.131 ( 5.413 -6.702 -2.023) 8.849 8.180 ( 0.618 -3.943 -1.223) 4.174 8.633 ( -0.031 -7.052 -8.673) 11.178 8.661 ( -2.573 -10.072 -9.477) 14.067 ======================= Grid point 250 (88/168) ======================= q-point: ( 0.00 0.36 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.041 ( 0.000 5.536 0.236) 5.541 2.091 ( 0.000 14.442 -2.518) 14.660 2.128 ( 0.000 8.868 1.673) 9.025 2.272 ( 0.000 5.518 -0.346) 5.529 2.695 ( 0.000 8.980 -5.303) 10.429 3.033 ( 0.000 5.608 -6.715) 8.749 3.183 ( 0.000 -2.123 -4.192) 4.699 3.310 ( 0.000 -6.068 -2.044) 6.403 3.726 ( 0.000 6.993 -0.969) 7.060 3.968 ( 0.000 7.226 -7.948) 10.742 4.047 ( 0.000 7.313 -1.574) 7.481 4.088 ( 0.000 10.301 -11.889) 15.731 6.304 ( 0.000 6.418 -17.533) 18.671 6.500 ( 0.000 -1.452 -9.379) 9.490 6.677 ( 0.000 -0.133 -2.893) 2.896 6.967 ( 0.000 -0.890 -3.405) 3.519 7.262 ( 0.000 -9.753 -9.251) 13.443 7.284 ( 0.000 -0.532 6.454) 6.475 7.403 ( 0.000 -2.659 -0.875) 2.799 7.548 ( 0.000 -6.126 -1.501) 6.307 7.844 ( 0.000 -4.197 -10.582) 11.384 8.052 ( 0.000 -3.402 -7.576) 8.304 8.523 ( 0.000 -7.649 -9.087) 11.878 8.561 ( 0.000 -4.705 -7.747) 9.064 ======================= Grid point 251 (89/168) ======================= q-point: ( 0.20 0.36 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.054 ( 1.422 6.150 0.256) 6.318 2.107 ( 1.456 12.923 -2.057) 13.167 2.133 ( 0.328 8.384 1.454) 8.515 2.244 ( -2.499 6.389 -0.690) 6.895 2.728 ( 3.249 8.971 -5.275) 10.902 3.004 ( -3.001 6.064 -6.396) 9.311 3.211 ( 2.511 -2.403 -4.345) 5.564 3.307 ( -0.257 -5.141 -1.738) 5.433 3.761 ( 3.172 6.671 -1.476) 7.533 3.939 ( -2.601 6.855 -6.513) 9.806 4.036 ( -0.668 9.349 -4.332) 10.326 4.084 ( -0.638 8.739 -10.982) 14.049 6.322 ( 1.873 5.617 -16.450) 17.483 6.476 ( -1.902 -0.340 -10.440) 10.617 6.784 ( 8.907 -0.483 -1.697) 9.080 7.009 ( 3.519 0.190 -1.437) 3.806 7.250 ( -1.585 -4.116 -4.751) 6.483 7.303 ( 2.814 -7.071 0.872) 7.660 7.380 ( -2.514 -3.587 -2.178) 4.892 7.527 ( -2.018 -6.136 -1.368) 6.603 7.894 ( 5.183 -3.686 -9.465) 11.403 8.085 ( 2.935 -2.584 -6.578) 7.653 8.511 ( -1.364 -8.034 -9.923) 12.840 8.548 ( -1.409 -5.086 -8.499) 10.004 ======================= Grid point 252 (90/168) ======================= q-point: ( 0.40 0.36 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.093 ( 2.246 6.849 0.571) 7.231 2.128 ( -1.053 7.739 0.771) 7.848 2.143 ( 2.172 10.188 -1.185) 10.484 2.191 ( -2.717 8.333 -1.187) 8.845 2.814 ( 5.350 8.591 -5.389) 11.466 2.921 ( -5.279 7.424 -5.821) 10.811 3.262 ( 2.422 -3.278 -3.707) 5.509 3.297 ( -1.054 -3.962 -2.156) 4.632 3.827 ( 3.219 6.736 -2.622) 7.913 3.884 ( -2.847 7.025 -4.373) 8.751 4.035 ( 0.725 9.353 -7.738) 12.161 4.061 ( -1.592 8.459 -9.965) 13.168 6.373 ( 3.091 3.739 -14.511) 15.301 6.431 ( -2.746 1.494 -12.399) 12.787 6.953 ( 7.523 0.991 0.465) 7.602 7.046 ( -1.295 2.881 2.183) 3.839 7.237 ( 1.403 -7.329 -6.012) 9.582 7.302 ( -4.252 -6.687 -3.395) 8.621 7.390 ( 4.711 -6.032 -1.496) 7.799 7.473 ( -3.524 -5.801 -1.114) 6.878 8.030 ( 7.672 -2.649 -6.353) 10.307 8.123 ( -0.678 -1.474 -4.292) 4.588 8.482 ( -0.636 -8.303 -12.049) 14.646 8.507 ( -2.503 -6.443 -10.721) 12.756 ======================= Grid point 255 (91/168) ======================= q-point: ( 0.00 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.145 ( 0.000 5.151 -1.421) 5.344 2.266 ( 0.000 4.989 0.690) 5.037 2.271 ( 0.000 4.513 -1.349) 4.710 2.305 ( 0.000 -1.105 -0.797) 1.362 2.904 ( 0.000 10.783 -6.473) 12.577 3.132 ( 0.000 3.690 -7.547) 8.401 3.141 ( 0.000 -2.186 -7.311) 7.631 3.212 ( 0.000 -3.692 -3.392) 5.014 3.858 ( 0.000 6.723 -4.874) 8.304 4.033 ( 0.000 -0.136 -10.524) 10.525 4.156 ( 0.000 4.327 -4.690) 6.381 4.228 ( 0.000 3.402 -8.309) 8.978 6.494 ( 0.000 11.812 -18.919) 22.304 6.553 ( 0.000 6.726 -12.231) 13.959 6.683 ( 0.000 0.546 -5.031) 5.060 6.957 ( 0.000 0.692 -4.934) 4.982 7.009 ( 0.000 -13.923 -10.915) 17.692 7.303 ( 0.000 0.917 2.935) 3.075 7.334 ( 0.000 -14.331 -8.340) 16.581 7.355 ( 0.000 -2.077 -0.408) 2.117 7.837 ( 0.000 2.352 -11.296) 11.539 7.981 ( 0.000 -3.871 -10.604) 11.289 8.422 ( 0.000 -2.793 -7.730) 8.220 8.472 ( 0.000 -4.180 -7.429) 8.524 ======================= Grid point 256 (92/168) ======================= q-point: ( 0.20 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.158 ( 1.409 4.869 -1.415) 5.262 2.262 ( -0.481 4.464 0.386) 4.506 2.273 ( 0.030 4.003 -1.476) 4.267 2.297 ( -0.648 0.174 -1.178) 1.356 2.930 ( 2.560 10.237 -6.326) 12.303 3.112 ( -1.688 4.480 -7.109) 8.570 3.161 ( 1.717 -2.802 -7.052) 7.780 3.229 ( 1.073 -2.960 -3.554) 4.748 3.886 ( 2.676 6.366 -5.374) 8.751 4.027 ( -0.600 1.883 -9.259) 9.468 4.142 ( -1.110 3.130 -6.044) 6.897 4.208 ( -1.899 2.908 -8.617) 9.290 6.503 ( 0.932 12.046 -18.465) 22.066 6.547 ( -0.379 7.411 -13.401) 15.318 6.782 ( 8.530 -0.285 -4.591) 9.691 6.983 ( 2.274 -5.945 -6.919) 9.402 7.056 ( 4.315 -7.593 -7.023) 11.207 7.266 ( -4.797 -7.150 -5.456) 10.193 7.282 ( -2.075 -1.914 1.924) 3.416 7.372 ( -0.131 -6.240 -0.768) 6.289 7.891 ( 5.563 2.538 -11.254) 12.808 8.033 ( 4.919 -3.038 -10.227) 11.748 8.396 ( -2.701 -3.442 -8.475) 9.538 8.451 ( -2.310 -4.663 -8.066) 9.600 ======================= Grid point 257 (93/168) ======================= q-point: ( 0.40 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.198 ( 2.492 4.415 -1.079) 5.183 2.242 ( -1.755 4.311 -0.311) 4.664 2.274 ( 0.319 2.712 -1.724) 3.230 2.284 ( -0.618 2.001 -1.644) 2.662 2.994 ( 3.806 8.752 -6.215) 11.389 3.065 ( -3.210 6.602 -6.554) 9.841 3.201 ( 2.187 -3.031 -5.936) 7.015 3.233 ( -0.814 -2.820 -4.426) 5.311 3.949 ( 3.450 6.148 -5.980) 9.244 4.005 ( -2.014 5.592 -6.733) 8.981 4.131 ( 0.467 0.886 -8.697) 8.754 4.163 ( -2.433 1.582 -9.202) 9.648 6.524 ( 1.054 11.331 -17.446) 20.830 6.539 ( -0.521 9.278 -15.442) 18.023 6.956 ( 8.326 -2.956 -6.009) 10.685 7.035 ( 2.083 -12.442 -11.512) 17.078 7.108 ( -0.330 2.796 0.784) 2.923 7.159 ( -5.342 -5.637 -3.327) 8.449 7.277 ( 2.486 -5.281 1.683) 6.074 7.341 ( -2.928 -6.746 0.490) 7.371 8.037 ( 8.414 2.929 -9.299) 12.878 8.126 ( 1.924 1.290 -7.450) 7.802 8.333 ( -1.911 -6.641 -11.595) 13.498 8.381 ( -4.604 -6.349 -10.243) 12.900 ======================= Grid point 260 (94/168) ======================= q-point: ( 0.00 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.239 ( 0.000 -4.325 -1.795) 4.683 2.239 ( 0.000 4.325 -1.795) 4.683 2.317 ( 0.000 -0.276 -0.197) 0.339 2.317 ( 0.000 0.276 -0.197) 0.339 3.068 ( 0.000 -5.867 -6.061) 8.435 3.068 ( 0.000 5.867 -6.061) 8.435 3.173 ( 0.000 -1.112 -7.164) 7.250 3.173 ( 0.000 1.112 -7.164) 7.250 3.978 ( 0.000 -5.067 -8.515) 9.909 3.978 ( 0.000 5.067 -8.515) 9.909 4.227 ( 0.000 -2.678 -6.614) 7.135 4.227 ( 0.000 2.678 -6.614) 7.135 6.666 ( 0.000 -3.966 -10.950) 11.646 6.666 ( 0.000 3.966 -10.950) 11.646 6.748 ( 0.000 -12.388 -12.615) 17.680 6.748 ( 0.000 12.388 -12.615) 17.680 7.060 ( 0.000 -11.255 -10.636) 15.485 7.060 ( 0.000 11.255 -10.636) 15.485 7.324 ( 0.000 -1.229 1.123) 1.665 7.324 ( 0.000 1.229 1.123) 1.665 7.903 ( 0.000 -4.005 -11.349) 12.035 7.903 ( 0.000 4.005 -11.349) 12.035 8.412 ( 0.000 -1.621 -6.990) 7.176 8.412 ( 0.000 1.621 -6.990) 7.176 ======================= Grid point 262 (95/168) ======================= q-point: ( 0.20 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.243 ( 0.581 -3.684 -1.980) 4.222 2.243 ( 0.581 3.684 -1.980) 4.222 2.314 ( -0.431 -0.438 -0.543) 0.820 2.314 ( -0.431 0.438 -0.543) 0.820 3.085 ( 1.705 -5.555 -6.065) 8.399 3.085 ( 1.705 5.555 -6.065) 8.399 3.179 ( 0.242 -2.654 -6.750) 7.257 3.179 ( 0.242 2.654 -6.750) 7.257 3.998 ( 2.105 -4.478 -8.626) 9.944 3.998 ( 2.105 4.478 -8.626) 9.944 4.202 ( -2.554 -2.705 -6.987) 7.916 4.202 ( -2.554 2.705 -6.987) 7.916 6.705 ( 3.115 -3.675 -12.800) 13.676 6.705 ( 3.115 3.675 -12.800) 13.676 6.766 ( 1.718 -8.656 -13.469) 16.102 6.766 ( 1.718 8.656 -13.469) 16.102 7.074 ( 1.720 -6.869 -6.268) 9.457 7.074 ( 1.720 6.869 -6.268) 9.457 7.302 ( -2.227 -2.041 1.467) 3.358 7.302 ( -2.228 2.041 1.467) 3.358 7.961 ( 5.889 -4.119 -11.736) 13.762 7.961 ( 5.889 4.119 -11.736) 13.762 8.383 ( -3.201 -1.859 -7.389) 8.265 8.383 ( -3.201 1.859 -7.389) 8.265 ======================= Grid point 264 (96/168) ======================= q-point: ( 0.40 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.265 ( 1.606 -2.335 -1.944) 3.437 2.265 ( 1.606 2.335 -1.944) 3.437 2.296 ( -1.395 -1.108 -1.325) 2.219 2.296 ( -1.395 1.108 -1.325) 2.219 3.128 ( 2.483 -4.968 -6.012) 8.185 3.128 ( 2.483 4.968 -6.012) 8.185 3.169 ( -1.422 -4.135 -6.185) 7.575 3.169 ( -1.422 4.135 -6.185) 7.575 4.057 ( 3.768 -3.407 -8.532) 9.930 4.057 ( 3.768 3.407 -8.532) 9.930 4.135 ( -4.039 -2.834 -7.846) 9.269 4.135 ( -4.039 2.834 -7.846) 9.269 6.759 ( 2.299 -5.913 -15.305) 16.567 6.759 ( 2.299 5.913 -15.305) 16.567 6.787 ( -0.246 -6.536 -16.065) 17.346 6.787 ( -0.246 6.535 -16.065) 17.346 7.140 ( 4.876 -1.882 0.817) 5.290 7.140 ( 4.876 1.882 0.817) 5.290 7.237 ( -4.496 -3.041 2.080) 5.813 7.237 ( -4.496 3.041 2.080) 5.813 8.115 ( 9.146 -3.710 -10.985) 14.767 8.115 ( 9.146 3.710 -10.985) 14.767 8.281 ( -7.270 -2.641 -8.844) 11.749 8.281 ( -7.270 2.641 -8.844) 11.749 ======================= Grid point 300 (97/168) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.511 ( 0.000 0.000 6.192) 6.192 1.786 ( 0.000 0.000 5.063) 5.063 1.835 ( 0.000 0.000 2.230) 2.230 1.986 ( 0.000 0.000 11.955) 11.955 2.079 ( 0.000 0.000 1.922) 1.922 2.222 ( 0.000 0.000 8.992) 8.992 2.483 ( 0.000 0.000 -2.541) 2.541 2.582 ( 0.000 0.000 -1.103) 1.103 3.167 ( 0.000 0.000 8.921) 8.921 3.594 ( 0.000 0.000 9.151) 9.151 3.762 ( 0.000 0.000 -2.262) 2.262 3.931 ( 0.000 0.000 5.556) 5.556 6.765 ( 0.000 0.000 14.132) 14.132 6.871 ( 0.000 0.000 0.724) 0.724 6.876 ( 0.000 0.000 1.715) 1.715 6.982 ( 0.000 0.000 11.500) 11.500 7.063 ( 0.000 0.000 2.860) 2.860 7.243 ( 0.000 0.000 1.013) 1.013 7.502 ( 0.000 0.000 0.187) 0.187 7.615 ( 0.000 0.000 2.578) 2.578 8.459 ( 0.000 0.000 4.948) 4.948 8.509 ( 0.000 0.000 6.511) 6.511 9.251 ( 0.000 0.000 5.878) 5.878 9.446 ( 0.000 0.000 -0.962) 0.962 ======================= Grid point 301 (98/168) ======================= q-point: ( 0.20 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 248 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.544 ( 3.004 0.000 7.049) 7.662 1.739 ( -3.869 0.000 7.330) 8.288 1.862 ( 2.638 0.000 1.351) 2.964 2.002 ( 1.684 0.000 11.529) 11.651 2.078 ( -0.748 0.000 0.457) 0.877 2.188 ( -3.123 0.000 8.903) 9.435 2.504 ( 1.836 0.000 -2.165) 2.838 2.579 ( -0.348 0.000 -1.242) 1.290 3.206 ( 3.976 0.000 9.232) 10.052 3.539 ( -4.537 0.000 8.416) 9.561 3.793 ( 2.329 0.000 -0.687) 2.429 3.927 ( -0.737 0.000 4.957) 5.011 6.781 ( 1.638 0.000 13.697) 13.795 6.879 ( 4.598 0.000 2.537) 5.251 6.941 ( -3.059 0.000 10.561) 10.995 7.017 ( 8.726 0.000 -1.657) 8.882 7.107 ( 3.250 0.000 3.866) 5.051 7.236 ( -0.732 0.000 1.363) 1.547 7.476 ( -2.124 0.000 0.292) 2.144 7.605 ( -1.357 0.000 1.246) 1.842 8.461 ( 0.548 0.000 5.004) 5.033 8.519 ( 0.597 0.000 5.166) 5.201 9.265 ( 1.525 0.000 5.870) 6.065 9.430 ( -1.727 0.000 -0.424) 1.778 ======================= Grid point 302 (99/168) ======================= q-point: ( 0.40 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 248 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.606 ( 3.088 0.000 9.214) 9.718 1.666 ( -3.335 0.000 9.788) 10.340 1.936 ( 4.866 0.000 -0.837) 4.937 2.030 ( -4.141 0.000 -1.343) 4.353 2.049 ( 3.087 0.000 10.494) 10.939 2.118 ( -3.811 0.000 9.418) 10.160 2.541 ( 1.706 0.000 -1.804) 2.483 2.567 ( -0.950 0.000 -1.533) 1.803 3.312 ( 6.532 0.000 9.082) 11.187 3.437 ( -5.941 0.000 8.337) 10.237 3.841 ( 2.711 0.000 1.793) 3.250 3.894 ( -2.495 0.000 3.722) 4.481 6.824 ( 2.672 0.000 12.595) 12.875 6.881 ( -3.079 0.000 11.315) 11.727 7.013 ( 7.792 0.000 1.475) 7.930 7.115 ( -0.714 0.000 -0.871) 1.126 7.168 ( 2.841 0.000 3.294) 4.349 7.213 ( -1.756 0.000 2.254) 2.857 7.471 ( 2.882 0.000 -1.220) 3.130 7.553 ( -4.034 0.000 -1.048) 4.168 8.485 ( 1.760 0.000 4.239) 4.590 8.516 ( -1.033 0.000 3.843) 3.979 9.312 ( 3.228 0.000 4.494) 5.533 9.379 ( -3.322 0.000 1.634) 3.702 ======================= Grid point 305 (100/168) ======================= q-point: ( 0.00 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.549 ( 0.000 3.890 5.739) 6.933 1.676 ( 0.000 -11.093 9.973) 14.917 1.806 ( 0.000 1.997 5.006) 5.390 1.810 ( 0.000 -7.560 8.580) 11.435 2.330 ( 0.000 13.068 2.971) 13.401 2.368 ( 0.000 12.041 3.264) 12.476 2.584 ( 0.000 9.837 -2.321) 10.107 2.662 ( 0.000 7.974 -1.567) 8.127 3.190 ( 0.000 2.737 9.195) 9.594 3.601 ( 0.000 0.845 8.220) 8.263 3.737 ( 0.000 -2.487 -2.331) 3.408 3.906 ( 0.000 -2.474 4.561) 5.189 6.680 ( 0.000 -6.713 9.470) 11.608 6.833 ( 0.000 -3.185 0.497) 3.223 6.926 ( 0.000 2.239 5.244) 5.702 6.978 ( 0.000 0.132 9.607) 9.608 7.118 ( 0.000 4.659 2.488) 5.281 7.271 ( 0.000 2.764 0.475) 2.804 7.497 ( 0.000 -0.531 -0.411) 0.672 7.597 ( 0.000 -1.853 2.375) 3.012 8.424 ( 0.000 -3.541 4.518) 5.740 8.473 ( 0.000 -3.505 5.925) 6.884 9.162 ( 0.000 -8.751 4.746) 9.955 9.368 ( 0.000 -7.886 -1.666) 8.060 ======================= Grid point 306 (101/168) ======================= q-point: ( 0.20 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.571 ( 1.792 1.951 7.879) 8.313 1.700 ( 0.455 -8.435 9.783) 12.925 1.733 ( -1.435 -2.723 6.656) 7.334 1.865 ( 1.645 -3.258 5.521) 6.618 2.326 ( -0.439 13.137 3.174) 13.522 2.351 ( -1.511 12.649 3.244) 13.146 2.600 ( 1.436 9.470 -2.138) 9.814 2.661 ( -0.144 8.247 -1.648) 8.411 3.225 ( 3.671 2.357 9.195) 10.177 3.545 ( -4.551 0.689 7.299) 8.629 3.766 ( 2.119 -2.628 -0.732) 3.454 3.901 ( -0.859 -2.584 4.055) 4.885 6.721 ( 3.601 -5.545 10.373) 12.301 6.874 ( 3.850 -1.946 2.587) 5.030 6.920 ( -1.325 -0.597 7.872) 8.005 7.025 ( 5.076 0.505 3.450) 6.158 7.162 ( 3.627 4.453 1.522) 5.941 7.263 ( -0.764 2.755 0.607) 2.923 7.469 ( -2.171 -0.714 0.057) 2.286 7.591 ( -0.974 -1.386 0.925) 1.930 8.427 ( 0.602 -3.441 4.479) 5.680 8.484 ( 0.668 -3.446 4.652) 5.828 9.178 ( 1.685 -8.619 4.765) 9.992 9.350 ( -1.832 -7.983 -1.156) 8.272 ======================= Grid point 307 (102/168) ======================= q-point: ( 0.40 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.606 ( 1.836 -0.929 10.925) 11.118 1.648 ( -2.744 -2.492 11.677) 12.251 1.797 ( 4.448 -5.104 3.426) 7.587 1.864 ( -1.908 -4.020 3.987) 5.975 2.316 ( -0.362 13.535 3.654) 14.024 2.323 ( -1.099 13.587 3.349) 14.037 2.630 ( 1.492 9.044 -1.968) 9.376 2.653 ( -0.761 8.734 -1.829) 8.956 3.325 ( 6.191 1.571 8.463) 10.603 3.445 ( -5.753 0.912 7.344) 9.374 3.812 ( 2.644 -2.967 1.386) 4.209 3.866 ( -2.642 -2.883 3.033) 4.949 6.793 ( 3.534 -3.370 11.116) 12.141 6.857 ( -3.067 -2.454 10.177) 10.909 7.010 ( 7.252 -0.291 1.572) 7.426 7.096 ( 0.255 -1.331 1.326) 1.896 7.207 ( 0.887 2.763 1.642) 3.334 7.240 ( -1.899 2.873 0.629) 3.501 7.469 ( 3.194 -0.162 -1.248) 3.433 7.548 ( -3.590 -0.544 -1.216) 3.830 8.452 ( 1.795 -3.276 3.660) 5.230 8.483 ( -0.957 -3.267 3.307) 4.746 9.228 ( 3.362 -8.401 3.513) 9.707 9.298 ( -3.439 -8.186 0.795) 8.914 ======================= Grid point 310 (103/168) ======================= q-point: ( 0.00 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 258 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.515 ( 0.000 -4.182 14.444) 15.037 1.657 ( 0.000 6.961 4.934) 8.532 1.743 ( 0.000 1.034 7.649) 7.718 1.859 ( 0.000 3.253 4.582) 5.620 2.487 ( 0.000 4.460 2.210) 4.977 2.630 ( 0.000 12.048 -1.746) 12.173 2.822 ( 0.000 12.933 -1.052) 12.976 2.887 ( 0.000 15.261 -4.612) 15.942 3.289 ( 0.000 7.507 8.486) 11.329 3.635 ( 0.000 2.918 5.450) 6.182 3.667 ( 0.000 -4.536 -1.896) 4.916 3.836 ( 0.000 -4.647 1.714) 4.953 6.525 ( 0.000 -9.167 6.389) 11.174 6.766 ( 0.000 -3.543 -0.642) 3.601 6.904 ( 0.000 -3.897 6.615) 7.677 7.000 ( 0.000 0.726 4.798) 4.852 7.212 ( 0.000 4.460 2.676) 5.201 7.347 ( 0.000 4.910 -1.571) 5.155 7.480 ( 0.000 -1.318 -1.964) 2.365 7.547 ( 0.000 -3.159 1.481) 3.489 8.321 ( 0.000 -7.098 3.140) 7.762 8.379 ( 0.000 -6.056 4.107) 7.318 8.939 ( 0.000 -13.165 1.417) 13.241 9.150 ( 0.000 -14.019 -3.639) 14.483 ======================= Grid point 311 (104/168) ======================= q-point: ( 0.20 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 422 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.528 ( 1.407 -2.916 14.132) 14.499 1.671 ( -1.264 3.522 7.856) 8.701 1.731 ( 1.950 3.899 5.275) 6.843 1.878 ( 0.964 2.916 4.227) 5.224 2.498 ( 0.972 5.350 2.483) 5.977 2.606 ( -2.195 11.310 -0.643) 11.539 2.839 ( 1.592 13.554 -1.315) 13.710 2.894 ( 0.506 15.554 -4.222) 16.125 3.313 ( 2.562 6.789 7.841) 10.683 3.568 ( -4.468 1.430 3.564) 5.892 3.700 ( 1.502 -3.527 0.114) 3.836 3.828 ( -1.172 -4.790 1.534) 5.164 6.580 ( 5.054 -8.793 7.157) 12.413 6.807 ( 1.824 -4.576 2.733) 5.634 6.908 ( 2.172 -1.333 4.024) 4.764 7.025 ( 2.289 -0.789 3.908) 4.597 7.242 ( 1.977 3.315 1.597) 4.177 7.343 ( -0.306 5.184 -2.185) 5.634 7.448 ( -1.930 -1.305 -0.562) 2.396 7.552 ( -0.047 -2.500 -0.176) 2.506 8.330 ( 1.084 -6.538 2.843) 7.211 8.392 ( 0.957 -5.863 3.108) 6.704 8.954 ( 1.582 -13.529 1.473) 13.700 9.131 ( -1.974 -14.038 -3.235) 14.541 ======================= Grid point 312 (105/168) ======================= q-point: ( 0.40 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 422 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.566 ( 2.365 -0.793 13.142) 13.377 1.618 ( -2.976 1.106 11.361) 11.796 1.807 ( 4.293 4.295 3.075) 6.807 1.871 ( -1.940 3.282 3.395) 5.105 2.521 ( 1.507 7.471 2.580) 8.046 2.559 ( -2.345 9.629 1.350) 10.002 2.874 ( 1.727 14.893 -2.111) 15.140 2.897 ( -0.445 15.741 -3.222) 16.074 3.386 ( 4.674 4.898 5.977) 9.032 3.479 ( -4.674 2.686 4.144) 6.799 3.732 ( 2.193 -4.824 0.683) 5.342 3.785 ( -2.958 -5.177 1.248) 6.092 6.689 ( 5.520 -7.351 8.290) 12.379 6.779 ( -3.586 -5.819 7.824) 10.389 7.004 ( 5.463 -0.270 1.334) 5.630 7.062 ( 0.209 -2.328 1.891) 3.007 7.261 ( 0.991 2.753 0.644) 2.996 7.310 ( -3.262 3.556 -1.922) 5.194 7.467 ( 3.542 0.068 -1.538) 3.862 7.531 ( -2.342 -1.287 -1.722) 3.179 8.364 ( 2.223 -5.539 1.944) 6.277 8.397 ( -0.758 -5.296 1.750) 5.629 9.002 ( 3.383 -14.175 0.569) 14.584 9.075 ( -3.683 -14.209 -1.656) 14.772 ======================= Grid point 315 (106/168) ======================= q-point: ( 0.00 0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.541 ( 0.000 6.976 12.134) 13.997 1.812 ( 0.000 8.837 4.203) 9.786 1.850 ( 0.000 9.425 3.946) 10.218 1.926 ( 0.000 3.485 3.580) 4.996 2.532 ( 0.000 0.915 0.971) 1.334 2.803 ( 0.000 5.744 -1.781) 6.014 3.044 ( 0.000 8.778 -3.459) 9.435 3.220 ( 0.000 17.328 -7.491) 18.878 3.458 ( 0.000 8.864 4.938) 10.147 3.580 ( 0.000 -3.385 1.379) 3.655 3.724 ( 0.000 6.353 1.794) 6.601 3.735 ( 0.000 -5.168 -3.037) 5.995 6.330 ( 0.000 -10.418 3.805) 11.091 6.698 ( 0.000 -3.389 -2.268) 4.078 6.776 ( 0.000 -9.362 4.338) 10.318 6.991 ( 0.000 -1.303 2.941) 3.216 7.275 ( 0.000 1.555 1.744) 2.337 7.438 ( 0.000 -0.088 -6.200) 6.200 7.454 ( 0.000 2.912 -0.550) 2.964 7.485 ( 0.000 -3.038 -0.317) 3.055 8.145 ( 0.000 -11.139 0.345) 11.144 8.235 ( 0.000 -8.875 0.633) 8.897 8.696 ( 0.000 -10.840 -2.790) 11.193 8.846 ( 0.000 -16.430 -6.181) 17.554 ======================= Grid point 316 (107/168) ======================= q-point: ( 0.20 0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.568 ( 2.609 7.232 11.436) 13.780 1.793 ( -3.391 9.251 5.205) 11.143 1.858 ( 2.695 8.027 3.692) 9.237 1.948 ( 1.299 3.956 3.221) 5.264 2.556 ( 2.342 1.381 1.238) 2.988 2.769 ( -3.242 5.523 -0.900) 6.467 3.077 ( 3.253 9.615 -3.158) 10.630 3.232 ( 0.864 17.933 -6.960) 19.255 3.459 ( 0.280 5.613 3.330) 6.532 3.564 ( -1.349 -0.110 1.349) 1.911 3.694 ( -1.836 1.422 0.358) 2.350 3.735 ( -1.217 -1.861 -1.447) 2.653 6.387 ( 5.342 -10.617 4.456) 12.693 6.689 ( -1.819 -7.930 2.884) 8.632 6.852 ( 7.384 -4.272 -0.551) 8.548 7.005 ( 1.249 -0.660 3.044) 3.356 7.284 ( 0.611 0.599 0.622) 1.058 7.407 ( -2.600 -1.147 -3.927) 4.847 7.457 ( 0.694 4.288 -1.709) 4.668 7.498 ( 0.547 -3.029 -1.392) 3.379 8.173 ( 2.845 -9.854 -0.028) 10.256 8.252 ( 1.656 -8.566 0.304) 8.730 8.695 ( 0.030 -11.939 -3.027) 12.317 8.828 ( -2.011 -16.422 -6.082) 17.627 ======================= Grid point 317 (108/168) ======================= q-point: ( 0.40 0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.634 ( 3.989 7.941 9.657) 13.124 1.715 ( -4.246 8.800 7.393) 12.252 1.918 ( 2.872 6.561 2.938) 7.741 1.955 ( -0.767 4.904 2.895) 5.746 2.615 ( 3.653 2.759 1.436) 4.797 2.693 ( -4.211 4.468 0.621) 6.171 3.156 ( 4.420 12.454 -2.944) 13.539 3.226 ( -2.132 16.763 -4.557) 17.502 3.485 ( 2.552 1.608 -0.283) 3.029 3.535 ( -1.923 3.603 -0.159) 4.087 3.669 ( -0.321 -0.573 0.535) 0.847 3.692 ( -2.478 -1.515 -0.055) 2.905 6.510 ( 6.657 -10.653 5.356) 13.656 6.624 ( -4.782 -9.946 5.133) 12.171 6.988 ( 4.898 -1.975 -0.570) 5.312 7.026 ( 0.328 -0.360 2.250) 2.302 7.300 ( 1.655 0.619 -1.353) 2.225 7.351 ( -3.077 0.241 -3.310) 4.526 7.479 ( 1.320 1.346 -1.889) 2.668 7.498 ( -0.516 -1.961 -2.059) 2.890 8.243 ( 3.615 -6.999 -0.551) 7.896 8.279 ( 0.247 -6.965 -0.328) 6.977 8.708 ( 1.837 -14.999 -4.029) 15.639 8.769 ( -3.747 -16.554 -5.432) 17.821 ======================= Grid point 320 (109/168) ======================= q-point: ( 0.00 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 258 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.764 ( 0.000 14.740 5.148) 15.613 1.983 ( 0.000 5.787 3.639) 6.836 2.002 ( 0.000 6.959 1.944) 7.225 2.071 ( 0.000 11.912 -0.132) 11.913 2.551 ( 0.000 1.726 -0.250) 1.744 2.872 ( 0.000 2.212 -1.537) 2.693 3.115 ( 0.000 -1.587 -8.171) 8.323 3.417 ( 0.000 -1.414 0.080) 1.416 3.604 ( 0.000 5.754 0.453) 5.771 3.619 ( 0.000 6.946 -10.813) 12.852 3.713 ( 0.000 7.268 -1.434) 7.409 3.870 ( 0.000 7.784 -1.058) 7.856 6.143 ( 0.000 -7.936 -0.021) 7.936 6.562 ( 0.000 -11.363 1.896) 11.520 6.637 ( 0.000 -2.815 -3.917) 4.824 6.961 ( 0.000 -1.699 1.072) 2.009 7.241 ( 0.000 -5.872 -6.284) 8.601 7.405 ( 0.000 -1.079 1.111) 1.549 7.427 ( 0.000 -2.970 -1.755) 3.450 7.536 ( 0.000 3.517 -3.401) 4.892 7.880 ( 0.000 -16.113 -5.035) 16.881 8.048 ( 0.000 -9.591 -4.591) 10.633 8.528 ( 0.000 -6.754 -5.317) 8.596 8.548 ( 0.000 -13.321 -7.645) 15.359 ======================= Grid point 321 (110/168) ======================= q-point: ( 0.20 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 422 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.788 ( 2.455 14.292 4.617) 15.218 1.993 ( -1.466 8.085 1.574) 8.367 2.008 ( 2.008 7.103 3.557) 8.194 2.055 ( -0.698 9.055 0.770) 9.115 2.580 ( 2.886 1.813 -0.177) 3.413 2.839 ( -3.318 2.451 -1.444) 4.371 3.155 ( 4.022 -1.822 -7.432) 8.644 3.420 ( -0.261 -4.129 1.581) 4.429 3.561 ( -1.936 10.979 -8.924) 14.280 3.666 ( 2.065 2.732 -4.149) 5.380 3.693 ( -1.359 9.680 -0.791) 9.807 3.843 ( -2.498 7.550 -1.547) 8.102 6.191 ( 4.594 -8.587 0.527) 9.753 6.502 ( -3.808 -10.297 1.403) 11.068 6.771 ( 9.834 -3.568 -3.314) 10.974 7.002 ( 3.495 0.087 1.496) 3.803 7.235 ( -0.455 -6.194 -6.279) 8.831 7.377 ( -2.030 -1.582 -1.277) 2.873 7.438 ( 0.508 -3.041 -0.310) 3.099 7.533 ( -0.595 2.887 -2.437) 3.825 7.927 ( 5.189 -15.265 -5.138) 16.921 8.079 ( 3.087 -8.483 -4.130) 9.928 8.509 ( -1.996 -7.541 -6.114) 9.911 8.527 ( -2.345 -13.511 -8.024) 15.888 ======================= Grid point 322 (111/168) ======================= q-point: ( 0.40 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 422 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.852 ( 3.954 13.372 3.398) 14.353 1.932 ( -4.038 12.275 2.054) 13.084 2.046 ( 1.386 5.774 2.896) 6.606 2.057 ( 0.176 6.042 1.961) 6.355 2.656 ( 4.728 2.175 -0.303) 5.213 2.754 ( -5.075 2.548 -0.920) 5.753 3.259 ( 6.265 -2.772 -5.216) 8.611 3.373 ( -4.761 -4.957 -1.104) 6.961 3.564 ( 2.375 11.304 -7.593) 13.823 3.627 ( -3.529 7.226 -4.455) 9.194 3.729 ( 2.812 7.160 -1.553) 7.848 3.786 ( -3.063 7.284 -1.971) 8.144 6.302 ( 6.229 -9.776 1.330) 11.668 6.416 ( -5.258 -10.428 1.611) 11.789 6.946 ( 7.279 -2.053 -2.309) 7.907 7.036 ( -1.497 0.951 0.508) 1.845 7.252 ( 2.869 -5.864 -5.182) 8.335 7.323 ( -3.615 -3.147 -3.107) 5.712 7.461 ( 2.067 -1.792 -0.565) 2.794 7.505 ( -2.131 0.670 -1.374) 2.623 8.069 ( 7.874 -11.057 -3.707) 14.071 8.140 ( 1.499 -6.606 -2.425) 7.195 8.456 ( -2.705 -11.468 -9.052) 14.859 8.462 ( -3.260 -13.124 -8.847) 16.159 ======================= Grid point 325 (112/168) ======================= q-point: ( 0.00 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.054 ( 0.000 3.490 1.107) 3.662 2.058 ( 0.000 13.824 -0.268) 13.826 2.170 ( 0.000 8.059 2.230) 8.362 2.251 ( 0.000 5.416 -1.769) 5.697 2.622 ( 0.000 6.066 -1.737) 6.310 2.925 ( 0.000 3.684 -3.479) 5.067 3.042 ( 0.000 -4.174 -9.046) 9.962 3.300 ( 0.000 -7.988 0.345) 7.996 3.687 ( 0.000 3.171 -3.083) 4.423 3.724 ( 0.000 4.395 -14.587) 15.234 3.941 ( 0.000 11.238 -3.471) 11.762 3.996 ( 0.000 4.718 -3.058) 5.622 6.059 ( 0.000 0.081 -6.160) 6.161 6.384 ( 0.000 -5.931 -2.038) 6.272 6.591 ( 0.000 -1.972 -5.701) 6.033 6.925 ( 0.000 -1.974 -0.492) 2.035 7.050 ( 0.000 -13.060 -11.538) 17.426 7.373 ( 0.000 -2.344 -1.849) 2.986 7.382 ( 0.000 -2.956 1.899) 3.513 7.522 ( 0.000 -15.590 -2.887) 15.855 7.603 ( 0.000 0.331 -10.054) 10.059 7.883 ( 0.000 -7.079 -8.537) 11.090 8.348 ( 0.000 -7.157 -7.740) 10.542 8.414 ( 0.000 -5.236 -6.543) 8.380 ======================= Grid point 326 (113/168) ======================= q-point: ( 0.20 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.057 ( 1.100 8.752 -0.009) 8.820 2.088 ( 2.130 7.681 0.750) 8.006 2.171 ( -0.075 7.439 1.851) 7.666 2.223 ( -2.414 5.884 -1.251) 6.482 2.652 ( 2.959 6.079 -1.981) 7.045 2.896 ( -2.787 3.954 -3.819) 6.164 3.077 ( 3.268 -4.416 -8.199) 9.869 3.292 ( -1.115 -7.453 -0.609) 7.561 3.704 ( 1.545 4.045 -6.066) 7.453 3.734 ( 1.102 4.376 -10.283) 11.230 3.923 ( -1.636 10.659 -4.229) 11.584 3.969 ( -2.520 4.779 -3.529) 6.454 6.091 ( 3.218 -0.779 -5.652) 6.551 6.340 ( -3.383 -5.195 -2.798) 6.802 6.712 ( 9.816 -2.816 -5.680) 11.685 6.996 ( 6.189 -2.390 -0.250) 6.639 7.052 ( -0.119 -10.563 -10.916) 15.190 7.327 ( -4.060 -4.504 -2.386) 6.516 7.379 ( 0.337 -3.353 2.409) 4.142 7.523 ( -1.150 -7.448 1.101) 7.617 7.667 ( 7.424 -5.410 -12.347) 15.390 7.932 ( 4.923 -6.579 -8.179) 11.593 8.317 ( -3.441 -7.651 -8.588) 12.006 8.388 ( -2.912 -5.549 -7.111) 9.478 ======================= Grid point 327 (114/168) ======================= q-point: ( 0.40 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.094 ( 2.415 8.988 -0.499) 9.320 2.127 ( 0.751 6.952 0.396) 7.004 2.157 ( -0.660 6.458 0.647) 6.524 2.181 ( -1.762 5.942 0.907) 6.264 2.729 ( 4.703 5.875 -2.692) 7.992 2.823 ( -4.607 5.017 -3.556) 7.683 3.158 ( 4.774 -5.536 -6.334) 9.672 3.245 ( -3.753 -6.650 -3.479) 8.391 3.739 ( 1.849 6.224 -7.323) 9.787 3.756 ( 0.471 4.956 -5.677) 7.551 3.894 ( -0.622 8.183 -5.711) 9.998 3.915 ( -2.464 5.239 -4.894) 7.581 6.172 ( 4.768 -2.537 -4.687) 7.151 6.264 ( -4.450 -4.134 -3.710) 7.117 6.895 ( 8.197 -4.179 -7.130) 11.639 7.016 ( -3.980 -7.611 -10.071) 13.236 7.119 ( 5.902 -2.952 0.471) 6.616 7.231 ( -5.557 -5.469 -1.525) 7.945 7.417 ( 3.222 -3.132 2.126) 4.971 7.480 ( -2.977 -3.749 1.150) 4.924 7.876 ( 12.684 -6.677 -8.573) 16.702 8.031 ( 1.371 -4.393 -4.537) 6.462 8.227 ( -2.918 -9.479 -12.539) 15.987 8.298 ( -6.100 -6.880 -9.452) 13.187 ======================= Grid point 330 (115/168) ======================= q-point: ( 0.00 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 258 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.128 ( 0.000 4.070 -0.173) 4.073 2.248 ( 0.000 4.298 -1.000) 4.412 2.287 ( 0.000 0.203 -0.928) 0.950 2.292 ( 0.000 4.157 1.685) 4.486 2.785 ( 0.000 9.824 -4.524) 10.816 2.987 ( 0.000 -1.439 -7.703) 7.837 2.996 ( 0.000 2.698 -5.496) 6.123 3.147 ( 0.000 -7.316 -3.132) 7.958 3.742 ( 0.000 2.567 -6.757) 7.228 3.779 ( 0.000 1.174 -13.612) 13.663 4.058 ( 0.000 2.391 -4.401) 5.008 4.092 ( 0.000 3.956 -5.223) 6.552 6.160 ( 0.000 9.956 -12.764) 16.187 6.356 ( 0.000 3.287 -6.988) 7.722 6.545 ( 0.000 -3.708 -9.091) 9.818 6.768 ( 0.000 -14.937 -12.393) 19.409 6.889 ( 0.000 -1.429 -2.065) 2.511 7.121 ( 0.000 -16.904 -10.741) 20.028 7.345 ( 0.000 -0.360 -0.369) 0.515 7.390 ( 0.000 -1.895 3.956) 4.387 7.642 ( 0.000 2.340 -7.567) 7.921 7.770 ( 0.000 -4.698 -9.694) 10.772 8.261 ( 0.000 -2.000 -7.720) 7.975 8.322 ( 0.000 -4.141 -7.201) 8.307 ======================= Grid point 331 (116/168) ======================= q-point: ( 0.20 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 422 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.140 ( 1.482 3.654 -0.227) 3.950 2.245 ( -0.269 3.059 -1.248) 3.315 2.274 ( -0.979 1.609 -0.847) 2.065 2.283 ( -1.026 3.707 1.437) 4.106 2.812 ( 2.591 9.368 -4.702) 10.797 2.978 ( -1.400 3.615 -5.957) 7.107 3.014 ( 2.259 -2.092 -7.082) 7.723 3.156 ( 0.221 -6.381 -3.831) 7.446 3.760 ( 2.025 2.593 -7.262) 7.973 3.802 ( 2.215 1.941 -11.715) 12.079 4.028 ( -2.902 2.121 -4.893) 6.072 4.065 ( -2.705 3.422 -5.677) 7.159 6.177 ( 1.739 9.335 -12.378) 15.601 6.326 ( -2.283 3.901 -8.114) 9.288 6.630 ( 6.396 -6.977 -10.870) 14.413 6.759 ( -0.114 -14.860 -12.918) 19.690 7.002 ( 9.088 -0.516 -0.309) 9.108 7.142 ( 2.094 -11.390 -4.073) 12.276 7.330 ( -1.125 -0.893 0.679) 1.589 7.394 ( 0.134 -3.712 2.955) 4.747 7.673 ( 4.040 2.450 -9.741) 10.827 7.820 ( 5.337 -5.035 -10.350) 12.686 8.224 ( -4.120 -2.102 -8.133) 9.356 8.290 ( -3.503 -4.384 -7.616) 9.460 ======================= Grid point 332 (117/168) ======================= q-point: ( 0.40 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 422 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.186 ( 3.015 3.104 -0.100) 4.329 2.238 ( -1.168 3.025 -1.049) 3.408 2.253 ( -1.143 1.894 0.482) 2.264 2.257 ( -0.775 2.960 -0.764) 3.154 2.875 ( 3.546 8.058 -5.152) 10.200 2.938 ( -2.737 5.909 -5.673) 8.637 3.072 ( 3.496 -3.345 -6.590) 8.176 3.135 ( -2.468 -4.823 -5.426) 7.668 3.817 ( 3.393 3.367 -6.897) 8.392 3.848 ( 1.388 4.058 -8.321) 9.361 3.969 ( -1.846 0.607 -6.610) 6.890 3.998 ( -3.623 1.829 -6.929) 8.030 6.223 ( 2.775 7.676 -11.356) 13.985 6.278 ( -2.715 5.579 -9.801) 11.600 6.727 ( 3.200 -13.158 -14.606) 19.917 6.760 ( -0.377 -15.404 -14.847) 21.397 7.135 ( 4.014 2.022 2.096) 4.959 7.179 ( -0.003 0.976 4.154) 4.267 7.334 ( 2.173 -4.899 3.052) 6.167 7.380 ( -1.754 -5.458 3.139) 6.536 7.831 ( 11.759 1.173 -10.889) 16.070 7.964 ( 6.922 -3.301 -8.512) 11.457 8.096 ( -7.415 -3.488 -11.171) 13.854 8.178 ( -7.883 -5.359 -9.433) 13.410 ======================= Grid point 335 (118/168) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.210 ( 0.000 -4.114 -1.038) 4.243 2.210 ( 0.000 4.114 -1.038) 4.243 2.325 ( 0.000 -0.696 0.997) 1.216 2.325 ( 0.000 0.696 0.997) 1.216 2.948 ( 0.000 -5.065 -5.440) 7.433 2.948 ( 0.000 5.065 -5.440) 7.433 3.034 ( 0.000 -2.980 -6.299) 6.969 3.034 ( 0.000 2.980 -6.299) 6.969 3.778 ( 0.000 -1.033 -10.853) 10.902 3.778 ( 0.000 1.033 -10.853) 10.902 4.104 ( 0.000 -1.848 -5.261) 5.576 4.104 ( 0.000 1.848 -5.261) 5.576 6.394 ( 0.000 -11.812 -14.698) 18.856 6.394 ( 0.000 11.812 -14.698) 18.856 6.505 ( 0.000 -11.417 -10.963) 15.828 6.505 ( 0.000 11.417 -10.963) 15.828 6.903 ( 0.000 -4.549 -5.228) 6.930 6.903 ( 0.000 4.549 -5.228) 6.930 7.357 ( 0.000 -1.371 2.056) 2.471 7.357 ( 0.000 1.371 2.056) 2.471 7.695 ( 0.000 -3.197 -8.904) 9.461 7.695 ( 0.000 3.197 -8.904) 9.461 8.261 ( 0.000 -1.805 -7.552) 7.765 8.261 ( 0.000 1.805 -7.552) 7.765 ======================= Grid point 337 (119/168) ======================= q-point: ( 0.20 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.211 ( 0.457 -3.431 -1.084) 3.627 2.211 ( 0.457 3.431 -1.084) 3.627 2.314 ( -1.159 -0.512 0.606) 1.405 2.314 ( -1.159 0.512 0.606) 1.405 2.962 ( 1.537 -4.736 -5.726) 7.588 2.962 ( 1.537 4.736 -5.726) 7.588 3.045 ( 0.640 -4.470 -6.249) 7.710 3.045 ( 0.640 4.470 -6.249) 7.710 3.804 ( 2.691 -1.536 -10.133) 10.596 3.804 ( 2.691 1.536 -10.133) 10.596 4.070 ( -3.392 -1.949 -5.706) 6.919 4.070 ( -3.392 1.949 -5.706) 6.919 6.411 ( 1.525 -11.708 -15.127) 19.190 6.411 ( 1.525 11.708 -15.127) 19.190 6.493 ( -0.982 -10.301 -12.450) 16.188 6.493 ( -0.982 10.301 -12.450) 16.188 7.011 ( 9.466 -2.329 -0.871) 9.788 7.011 ( 9.466 2.329 -0.871) 9.788 7.341 ( -1.641 -1.841 2.288) 3.364 7.341 ( -1.641 1.841 2.288) 3.364 7.734 ( 4.588 -3.796 -10.354) 11.944 7.734 ( 4.588 3.796 -10.354) 11.944 8.225 ( -3.976 -1.971 -7.812) 8.985 8.225 ( -3.976 1.971 -7.812) 8.985 ======================= Grid point 339 (120/168) ======================= q-point: ( 0.40 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.236 ( 2.035 -1.909 -0.848) 2.917 2.236 ( 2.035 1.909 -0.848) 2.917 2.280 ( -2.248 -0.541 -0.186) 2.319 2.280 ( -2.248 0.541 -0.186) 2.319 3.003 ( 2.374 -4.496 -6.116) 7.954 3.003 ( 2.374 4.496 -6.116) 7.954 3.041 ( -1.204 -4.887 -6.279) 8.048 3.041 ( -1.204 4.887 -6.279) 8.048 3.880 ( 4.901 -1.981 -8.515) 10.022 3.880 ( 4.901 1.981 -8.515) 10.022 3.982 ( -5.317 -2.060 -6.885) 8.940 3.982 ( -5.317 2.060 -6.885) 8.940 6.443 ( 1.620 -10.698 -15.181) 18.642 6.443 ( 1.620 10.699 -15.181) 18.642 6.471 ( -1.270 -9.847 -14.291) 17.401 6.471 ( -1.270 9.847 -14.291) 17.401 7.188 ( 7.419 -2.492 3.770) 8.687 7.188 ( 7.419 2.492 3.770) 8.687 7.291 ( -3.647 -2.582 3.278) 5.542 7.291 ( -3.647 2.582 3.278) 5.542 7.887 ( 10.714 -4.009 -11.291) 16.073 7.887 ( 10.714 4.009 -11.291) 16.073 8.096 ( -9.390 -2.744 -9.157) 13.400 8.096 ( -9.390 2.744 -9.157) 13.400 ======================= Grid point 375 (121/168) ======================= q-point: ( 0.00 0.00 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.621 ( 0.000 0.000 5.418) 5.418 1.825 ( 0.000 0.000 -3.002) 3.002 1.902 ( 0.000 0.000 5.540) 5.540 2.061 ( 0.000 0.000 -2.491) 2.491 2.180 ( 0.000 0.000 7.774) 7.774 2.385 ( 0.000 0.000 6.899) 6.899 2.413 ( 0.000 0.000 -4.277) 4.277 2.554 ( 0.000 0.000 -1.905) 1.905 3.375 ( 0.000 0.000 10.432) 10.432 3.689 ( 0.000 0.000 -4.953) 4.953 3.772 ( 0.000 0.000 8.195) 8.195 3.978 ( 0.000 0.000 -0.704) 0.704 6.888 ( 0.000 0.000 1.008) 1.008 6.904 ( 0.000 0.000 0.869) 0.869 6.993 ( 0.000 0.000 8.335) 8.335 7.110 ( 0.000 0.000 1.361) 1.361 7.166 ( 0.000 0.000 6.583) 6.583 7.262 ( 0.000 0.000 0.562) 0.562 7.542 ( 0.000 0.000 3.109) 3.109 7.637 ( 0.000 0.000 -0.375) 0.375 8.552 ( 0.000 0.000 4.045) 4.045 8.600 ( 0.000 0.000 2.489) 2.489 9.344 ( 0.000 0.000 3.373) 3.373 9.424 ( 0.000 0.000 -1.229) 1.229 ======================= Grid point 376 (122/168) ======================= q-point: ( 0.20 0.00 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.658 ( 3.413 0.000 4.921) 5.989 1.825 ( -0.460 0.000 -1.281) 1.361 1.906 ( 0.860 0.000 4.854) 4.930 2.052 ( -1.279 0.000 -2.182) 2.529 2.190 ( 1.021 0.000 7.437) 7.507 2.332 ( -3.342 0.000 4.158) 5.334 2.458 ( 2.590 0.000 -1.289) 2.893 2.549 ( -0.575 0.000 -1.940) 2.023 3.408 ( 3.304 0.000 9.813) 10.354 3.659 ( -2.848 0.000 0.764) 2.948 3.793 ( 2.157 0.000 3.167) 3.832 3.966 ( -1.413 0.000 -0.963) 1.710 6.926 ( 4.815 0.000 2.229) 5.306 6.995 ( 7.138 0.000 -0.908) 7.196 7.001 ( 0.766 0.000 7.890) 7.927 7.084 ( -1.837 0.000 3.557) 4.003 7.195 ( 2.188 0.000 4.474) 4.981 7.263 ( -0.041 0.000 0.912) 0.913 7.509 ( -3.063 0.000 2.693) 4.079 7.609 ( -2.956 0.000 -1.001) 3.121 8.547 ( -0.358 0.000 3.512) 3.530 8.592 ( -0.866 0.000 1.926) 2.112 9.358 ( 1.348 0.000 3.361) 3.621 9.423 ( -0.196 0.000 -0.441) 0.482 ======================= Grid point 377 (123/168) ======================= q-point: ( 0.40 0.00 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.734 ( 3.975 0.000 3.843) 5.529 1.797 ( -2.362 0.000 2.285) 3.286 1.941 ( 2.722 0.000 1.919) 3.330 2.004 ( -3.344 0.000 -0.737) 3.425 2.220 ( 2.075 0.000 6.516) 6.839 2.269 ( -2.964 0.000 5.259) 6.037 2.502 ( 1.892 0.000 -1.681) 2.531 2.532 ( -1.191 0.000 -1.934) 2.271 3.493 ( 5.071 0.000 8.172) 9.618 3.588 ( -4.396 0.000 5.598) 7.118 3.851 ( 3.596 0.000 -0.152) 3.599 3.920 ( -3.225 0.000 -0.978) 3.370 7.021 ( 1.297 0.000 6.762) 6.885 7.048 ( 6.519 0.000 2.118) 6.855 7.050 ( -1.630 0.000 5.307) 5.552 7.108 ( 2.151 0.000 -0.214) 2.161 7.234 ( 1.659 0.000 2.957) 3.391 7.257 ( -0.661 0.000 1.796) 1.914 7.462 ( 0.016 0.000 0.342) 0.343 7.527 ( -5.034 0.000 -1.815) 5.351 8.548 ( 0.605 0.000 2.278) 2.357 8.569 ( -1.342 0.000 1.472) 1.992 9.388 ( 1.569 0.000 2.805) 3.214 9.413 ( -0.881 0.000 1.310) 1.579 ======================= Grid point 380 (124/168) ======================= q-point: ( 0.00 0.07 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.651 ( 0.000 3.108 4.814) 5.730 1.777 ( 0.000 -3.546 0.895) 3.658 1.911 ( 0.000 1.045 4.679) 4.795 1.953 ( 0.000 -5.387 4.309) 6.898 2.354 ( 0.000 11.810 1.691) 11.930 2.462 ( 0.000 6.501 5.178) 8.311 2.514 ( 0.000 9.891 -4.367) 10.812 2.626 ( 0.000 6.855 -2.312) 7.234 3.387 ( 0.000 1.465 9.399) 9.512 3.668 ( 0.000 -2.069 -4.576) 5.022 3.758 ( 0.000 -1.265 7.177) 7.288 3.942 ( 0.000 -3.634 -0.844) 3.731 6.806 ( 0.000 -7.477 3.377) 8.204 6.840 ( 0.000 -4.231 0.309) 4.242 7.045 ( 0.000 2.472 5.935) 6.429 7.149 ( 0.000 -1.608 6.767) 6.956 7.152 ( 0.000 3.717 0.692) 3.781 7.276 ( 0.000 1.229 -0.285) 1.261 7.525 ( 0.000 -1.684 2.633) 3.126 7.615 ( 0.000 -2.270 -0.526) 2.330 8.510 ( 0.000 -4.367 3.700) 5.724 8.555 ( 0.000 -4.490 2.179) 4.991 9.240 ( 0.000 -10.340 3.025) 10.773 9.331 ( 0.000 -9.344 -1.920) 9.539 ======================= Grid point 381 (125/168) ======================= q-point: ( 0.20 0.07 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.685 ( 3.149 2.814 4.433) 6.123 1.793 ( 1.320 -2.853 0.801) 3.244 1.887 ( -1.704 -1.063 6.469) 6.773 1.957 ( -0.382 -3.960 2.924) 4.937 2.363 ( 0.783 12.018 2.321) 12.266 2.439 ( -1.638 8.751 4.027) 9.772 2.542 ( 2.041 8.474 -2.979) 9.211 2.623 ( -0.384 7.175 -2.411) 7.578 3.414 ( 2.755 0.852 8.772) 9.234 3.639 ( -2.696 -1.907 -0.020) 3.302 3.772 ( 1.573 -1.966 3.259) 4.118 3.930 ( -1.423 -3.632 -1.085) 4.049 6.865 ( 5.543 -6.390 3.870) 9.302 6.903 ( 5.521 -4.348 0.858) 7.080 7.049 ( 0.079 0.904 5.355) 5.432 7.118 ( -0.583 1.760 3.586) 4.036 7.200 ( 2.567 1.102 2.535) 3.772 7.274 ( -0.254 1.022 0.101) 1.058 7.495 ( -2.699 -1.343 2.374) 3.838 7.591 ( -2.545 -1.846 -1.121) 3.338 8.504 ( -0.341 -4.320 3.174) 5.372 8.548 ( -0.773 -4.372 1.612) 4.723 9.255 ( 1.469 -10.258 2.939) 10.771 9.328 ( -0.347 -9.495 -1.123) 9.568 ======================= Grid point 382 (126/168) ======================= q-point: ( 0.40 0.07 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.754 ( 3.474 1.907 3.803) 5.493 1.803 ( -1.137 0.413 2.001) 2.338 1.876 ( 1.400 -4.002 5.653) 7.067 1.925 ( -2.726 -3.771 2.624) 5.342 2.382 ( 1.168 11.985 3.602) 12.570 2.408 ( -1.495 10.931 4.127) 11.779 2.580 ( 1.792 7.939 -2.779) 8.600 2.609 ( -1.102 7.696 -2.639) 8.210 3.487 ( 4.476 -0.416 7.102) 8.405 3.572 ( -4.056 -1.423 4.527) 6.242 3.820 ( 3.183 -3.063 0.042) 4.418 3.885 ( -3.140 -3.576 -0.987) 4.861 6.971 ( 4.021 -4.721 6.094) 8.695 7.011 ( 2.121 -3.177 3.904) 5.462 7.046 ( 2.831 -0.649 3.282) 4.383 7.120 ( -1.012 0.078 0.772) 1.276 7.242 ( 1.495 0.846 1.799) 2.487 7.264 ( -0.854 0.619 1.079) 1.509 7.459 ( 0.479 -0.282 0.280) 0.622 7.520 ( -4.391 -0.735 -1.802) 4.803 8.506 ( 0.624 -4.218 1.929) 4.680 8.526 ( -1.295 -4.203 1.126) 4.540 9.288 ( 1.697 -10.064 2.257) 10.453 9.315 ( -1.029 -9.806 0.672) 9.883 ======================= Grid point 385 (127/168) ======================= q-point: ( 0.00 0.14 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.733 ( 0.000 -0.289 6.707) 6.713 1.742 ( 0.000 6.066 3.618) 7.062 1.897 ( 0.000 -0.207 6.494) 6.497 1.943 ( 0.000 2.096 3.194) 3.820 2.535 ( 0.000 4.623 3.114) 5.574 2.624 ( 0.000 10.700 1.897) 10.867 2.766 ( 0.000 14.912 -5.824) 16.009 2.787 ( 0.000 8.752 -4.068) 9.651 3.443 ( 0.000 4.345 6.519) 7.834 3.621 ( 0.000 -2.119 -2.735) 3.460 3.731 ( 0.000 -1.101 4.084) 4.230 3.840 ( 0.000 -6.784 -1.120) 6.876 6.639 ( 0.000 -9.501 4.554) 10.536 6.744 ( 0.000 -5.407 -1.432) 5.593 7.039 ( 0.000 -3.886 6.766) 7.803 7.118 ( 0.000 -1.169 6.153) 6.263 7.234 ( 0.000 4.352 -0.882) 4.441 7.297 ( 0.000 0.307 -3.198) 3.213 7.480 ( 0.000 -2.739 1.390) 3.071 7.551 ( 0.000 -4.175 -0.918) 4.275 8.383 ( 0.000 -8.723 2.850) 9.177 8.431 ( 0.000 -8.202 1.113) 8.278 8.968 ( 0.000 -16.456 1.643) 16.538 9.075 ( 0.000 -16.339 -3.623) 16.736 ======================= Grid point 386 (128/168) ======================= q-point: ( 0.20 0.14 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.746 ( 1.483 1.020 6.685) 6.923 1.778 ( 3.115 4.464 3.156) 6.292 1.869 ( -2.171 0.245 7.253) 7.575 1.948 ( -0.264 1.863 2.397) 3.047 2.554 ( 1.625 5.389 3.496) 6.626 2.619 ( -0.478 10.276 2.561) 10.601 2.782 ( 1.356 15.063 -5.378) 16.052 2.799 ( 1.078 9.948 -4.365) 10.917 3.453 ( 1.131 3.304 5.839) 6.804 3.595 ( -2.417 -2.136 -0.878) 3.343 3.727 ( -0.033 -2.196 2.645) 3.438 3.829 ( -1.330 -6.575 -1.292) 6.831 6.709 ( 6.484 -9.178 5.153) 12.362 6.814 ( 6.446 -4.947 -0.952) 8.181 7.027 ( -1.152 -3.598 6.669) 7.664 7.117 ( -0.247 -1.355 4.612) 4.813 7.250 ( 1.316 3.310 -0.999) 3.700 7.291 ( -0.592 0.242 -2.847) 2.918 7.460 ( -1.537 -2.016 1.528) 2.960 7.538 ( -1.366 -3.408 -1.400) 3.929 8.382 ( 0.059 -8.229 2.333) 8.553 8.429 ( -0.341 -7.752 0.585) 7.781 8.982 ( 1.310 -16.900 1.450) 17.013 9.068 ( -0.728 -16.599 -2.919) 16.869 ======================= Grid point 387 (129/168) ======================= q-point: ( 0.40 0.14 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.782 ( 2.080 0.892 7.057) 7.411 1.823 ( -1.960 1.245 6.043) 6.474 1.851 ( 3.605 2.994 3.577) 5.895 1.918 ( -2.764 2.482 1.789) 4.123 2.585 ( 1.397 7.188 3.998) 8.343 2.606 ( -0.816 8.928 3.682) 9.692 2.808 ( 1.136 14.728 -4.774) 15.524 2.817 ( 0.379 12.849 -4.628) 13.662 3.489 ( 2.465 0.800 4.065) 4.821 3.542 ( -2.854 -1.427 1.830) 3.678 3.742 ( 1.680 -4.421 0.577) 4.765 3.788 ( -2.652 -6.041 -0.835) 6.651 6.847 ( 6.566 -8.032 6.672) 12.335 6.921 ( 0.961 -6.271 4.881) 8.005 7.021 ( 2.751 -2.149 1.631) 3.853 7.095 ( -2.575 -2.368 1.095) 3.666 7.266 ( 0.255 1.344 -0.324) 1.405 7.276 ( -0.839 0.504 -1.386) 1.697 7.451 ( 1.281 -0.491 -0.059) 1.373 7.497 ( -2.705 -1.588 -1.735) 3.584 8.392 ( 1.003 -7.244 1.018) 7.384 8.415 ( -1.108 -7.002 0.126) 7.091 9.013 ( 1.797 -17.502 0.556) 17.602 9.047 ( -1.493 -17.250 -1.184) 17.355 ======================= Grid point 390 (130/168) ======================= q-point: ( 0.00 0.21 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.776 ( 0.000 4.656 9.499) 10.579 1.879 ( 0.000 7.839 2.296) 8.168 1.946 ( 0.000 5.083 4.827) 7.010 1.989 ( 0.000 2.599 2.408) 3.543 2.570 ( 0.000 0.006 3.561) 3.561 2.812 ( 0.000 7.616 3.167) 8.248 2.908 ( 0.000 2.991 -9.750) 10.199 3.071 ( 0.000 15.122 -7.136) 16.721 3.536 ( 0.000 4.224 2.973) 5.165 3.618 ( 0.000 2.688 0.981) 2.861 3.684 ( 0.000 -9.068 -0.952) 9.118 3.740 ( 0.000 2.721 -0.282) 2.736 6.440 ( 0.000 -10.819 6.113) 12.426 6.637 ( 0.000 -5.435 -3.642) 6.542 6.898 ( 0.000 -10.265 7.660) 12.808 7.088 ( 0.000 -2.228 6.297) 6.680 7.244 ( 0.000 -5.833 -5.704) 8.159 7.321 ( 0.000 3.822 -4.808) 6.142 7.442 ( 0.000 -0.779 -0.569) 0.965 7.465 ( 0.000 -4.256 -1.345) 4.463 8.163 ( 0.000 -14.249 1.451) 14.323 8.227 ( 0.000 -12.977 -1.104) 13.024 8.657 ( 0.000 -14.031 -0.932) 14.062 8.732 ( 0.000 -17.727 -4.798) 18.364 ======================= Grid point 391 (131/168) ======================= q-point: ( 0.20 0.21 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.793 ( 1.614 4.548 9.276) 10.457 1.899 ( 1.349 6.609 2.955) 7.365 1.922 ( -1.333 5.620 4.402) 7.262 2.000 ( 0.415 3.211 1.668) 3.642 2.601 ( 2.882 0.391 3.811) 4.794 2.785 ( -2.341 5.902 2.385) 6.782 2.957 ( 4.455 5.168 -7.929) 10.461 3.086 ( 1.247 15.062 -7.293) 16.781 3.520 ( -1.389 2.252 2.785) 3.842 3.592 ( -2.508 2.602 0.529) 3.652 3.677 ( -0.536 -6.297 -0.444) 6.335 3.723 ( -1.546 0.798 -0.627) 1.849 6.511 ( 6.586 -11.103 6.852) 14.615 6.709 ( 5.902 -5.946 -1.970) 8.606 6.899 ( 0.349 -9.388 6.081) 11.190 7.084 ( -0.613 -1.760 4.338) 4.722 7.241 ( -0.046 -5.250 -4.804) 7.117 7.320 ( -0.412 2.791 -4.213) 5.070 7.435 ( -0.099 -0.297 -0.489) 0.581 7.469 ( -0.002 -3.312 -1.596) 3.676 8.181 ( 1.966 -12.766 0.997) 12.955 8.240 ( 1.251 -11.879 -1.255) 12.011 8.650 ( -0.629 -15.577 -1.227) 15.638 8.717 ( -1.594 -18.363 -4.586) 18.994 ======================= Grid point 392 (132/168) ======================= q-point: ( 0.40 0.21 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.831 ( 2.180 4.486 8.467) 9.827 1.874 ( -2.182 4.549 7.288) 8.864 1.952 ( 2.411 6.303 0.605) 6.775 1.991 ( -1.379 4.581 0.690) 4.833 2.667 ( 3.549 1.715 3.969) 5.594 2.732 ( -3.081 3.772 3.227) 5.843 3.051 ( 4.377 9.333 -7.050) 12.489 3.100 ( -0.465 13.771 -7.330) 15.607 3.501 ( 0.127 -0.324 1.730) 1.765 3.534 ( -2.915 0.747 0.273) 3.022 3.672 ( 0.239 -2.717 -0.053) 2.728 3.690 ( -1.553 -1.178 -0.484) 2.009 6.655 ( 7.267 -11.584 8.073) 15.880 6.759 ( -2.364 -10.579 6.907) 12.854 6.954 ( 5.410 -4.659 -2.043) 7.426 7.048 ( -3.472 -2.436 -0.525) 4.273 7.256 ( 1.715 -2.236 -2.366) 3.680 7.296 ( -1.948 0.812 -2.310) 3.129 7.445 ( 0.883 -0.005 -1.394) 1.650 7.462 ( -0.706 -1.853 -1.726) 2.629 8.233 ( 2.833 -9.025 -0.129) 9.460 8.262 ( 0.236 -8.656 -1.132) 8.733 8.642 ( 0.332 -19.434 -2.265) 19.568 8.673 ( -2.499 -20.175 -3.746) 20.671 ======================= Grid point 395 (133/168) ======================= q-point: ( 0.00 0.29 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.907 ( 0.000 8.514 7.645) 11.443 2.028 ( 0.000 4.933 0.751) 4.990 2.052 ( 0.000 6.117 2.684) 6.680 2.078 ( 0.000 7.726 0.621) 7.751 2.569 ( 0.000 0.653 2.502) 2.586 2.901 ( 0.000 -2.718 -11.853) 12.160 2.906 ( 0.000 2.158 5.246) 5.672 3.319 ( 0.000 9.044 -11.752) 14.830 3.498 ( 0.000 -9.096 1.345) 9.195 3.589 ( 0.000 1.565 -1.637) 2.265 3.734 ( 0.000 8.482 2.193) 8.761 3.836 ( 0.000 6.121 -2.167) 6.494 6.228 ( 0.000 -10.521 7.345) 12.831 6.536 ( 0.000 -4.905 -6.041) 7.782 6.659 ( 0.000 -13.469 7.363) 15.350 7.032 ( 0.000 -3.459 6.069) 6.986 7.068 ( 0.000 -11.666 -10.154) 15.466 7.386 ( 0.000 2.431 -7.091) 7.496 7.391 ( 0.000 -3.297 -1.367) 3.569 7.425 ( 0.000 -2.040 -3.527) 4.074 7.831 ( 0.000 -18.521 0.300) 18.523 7.951 ( 0.000 -13.948 -4.640) 14.700 8.430 ( 0.000 -12.692 -3.625) 13.200 8.443 ( 0.000 -8.513 -3.176) 9.086 ======================= Grid point 396 (134/168) ======================= q-point: ( 0.20 0.29 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.919 ( 1.191 8.023 7.050) 10.747 2.023 ( -0.851 5.993 1.235) 6.177 2.069 ( 1.249 6.855 1.925) 7.229 2.073 ( 0.063 5.990 0.990) 6.071 2.601 ( 3.133 0.470 2.675) 4.146 2.841 ( -3.432 0.335 -0.742) 3.527 2.987 ( 5.603 -1.305 -5.278) 7.807 3.319 ( -0.853 6.175 -12.714) 14.160 3.476 ( -0.824 -4.417 3.327) 5.591 3.610 ( 1.119 0.916 -2.684) 3.049 3.708 ( -2.195 8.003 1.724) 8.476 3.804 ( -2.921 5.867 -2.267) 6.935 6.288 ( 5.507 -11.375 7.999) 14.956 6.565 ( 0.324 -9.653 1.706) 9.808 6.702 ( 5.721 -9.110 -0.714) 10.781 7.034 ( -1.609 -6.345 -5.069) 8.279 7.096 ( 4.219 -6.341 0.262) 7.620 7.345 ( -2.379 -0.981 -2.562) 3.631 7.422 ( 0.632 -0.781 -1.748) 2.016 7.441 ( 1.791 0.171 -5.731) 6.007 7.867 ( 4.408 -18.791 -0.269) 19.303 7.988 ( 3.972 -12.882 -4.618) 14.250 8.395 ( -3.648 -12.888 -3.865) 13.941 8.417 ( -2.958 -9.766 -3.691) 10.851 ======================= Grid point 397 (135/168) ======================= q-point: ( 0.40 0.29 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.951 ( 2.030 7.397 5.465) 9.418 1.992 ( -2.055 7.055 3.317) 8.062 2.082 ( 0.708 6.390 0.487) 6.448 2.088 ( 0.325 5.673 1.029) 5.775 2.678 ( 4.487 0.312 2.708) 5.251 2.765 ( -4.322 0.444 1.639) 4.644 3.118 ( 7.430 -2.233 -7.056) 10.487 3.252 ( -5.830 -0.914 -9.782) 11.424 3.507 ( 3.678 3.767 1.612) 5.506 3.588 ( -3.737 4.942 -0.528) 6.219 3.693 ( 1.318 4.429 -1.681) 4.917 3.740 ( -3.218 4.875 -2.545) 6.371 6.411 ( 6.496 -12.884 8.636) 16.816 6.520 ( -4.380 -13.206 7.789) 15.945 6.847 ( 7.551 -6.536 -6.992) 12.191 6.969 ( -4.924 -6.959 -7.788) 11.547 7.199 ( 5.420 -2.456 1.390) 6.111 7.289 ( -3.677 -1.638 -0.533) 4.061 7.435 ( 0.999 -0.581 -2.231) 2.513 7.455 ( -0.567 0.846 -3.782) 3.917 8.013 ( 9.484 -14.214 -1.073) 17.121 8.090 ( 4.468 -8.482 -2.618) 9.938 8.294 ( -5.287 -16.828 -5.511) 18.480 8.325 ( -5.929 -12.913 -5.206) 15.132 ======================= Grid point 400 (136/168) ======================= q-point: ( 0.00 0.36 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.085 ( 0.000 2.626 1.907) 3.245 2.089 ( 0.000 9.499 2.991) 9.959 2.203 ( 0.000 7.496 0.714) 7.530 2.207 ( 0.000 4.749 -2.291) 5.273 2.621 ( 0.000 4.848 1.421) 5.052 2.848 ( 0.000 -1.810 -9.535) 9.705 2.920 ( 0.000 0.133 3.564) 3.567 3.267 ( 0.000 -9.940 -6.481) 11.866 3.488 ( 0.000 4.085 -5.242) 6.645 3.604 ( 0.000 -0.040 -4.903) 4.903 3.905 ( 0.000 7.972 -0.497) 7.987 3.941 ( 0.000 4.154 -2.145) 4.675 6.057 ( 0.000 -6.286 5.385) 8.277 6.415 ( 0.000 -10.512 4.992) 11.637 6.443 ( 0.000 -4.981 -9.061) 10.340 6.808 ( 0.000 -14.581 -12.241) 19.038 6.952 ( 0.000 -4.731 3.041) 5.624 7.242 ( 0.000 -16.265 -12.150) 20.302 7.345 ( 0.000 -1.094 -0.310) 1.137 7.436 ( 0.000 1.563 -2.457) 2.912 7.576 ( 0.000 -5.447 1.839) 5.749 7.729 ( 0.000 -8.471 -6.383) 10.607 8.236 ( 0.000 -7.493 -2.925) 8.044 8.301 ( 0.000 -6.388 -4.671) 7.914 ======================= Grid point 401 (137/168) ======================= q-point: ( 0.20 0.36 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.075 ( 0.257 6.234 1.808) 6.496 2.120 ( 1.587 5.518 1.680) 5.983 2.180 ( -1.287 5.531 -0.598) 5.710 2.217 ( 0.166 6.177 0.341) 6.189 2.646 ( 2.519 4.425 1.297) 5.254 2.835 ( -1.652 0.114 -4.957) 5.227 2.946 ( 3.004 -2.093 -0.869) 3.763 3.233 ( -3.389 -8.958 -6.779) 11.734 3.526 ( 3.652 4.553 -4.532) 7.390 3.624 ( 1.941 0.220 -4.973) 5.343 3.874 ( -2.997 7.657 -1.002) 8.284 3.908 ( -3.201 4.146 -2.380) 5.753 6.097 ( 3.839 -7.286 5.723) 10.028 6.358 ( -3.266 -9.821 3.774) 11.016 6.552 ( 7.228 -7.603 -9.470) 14.132 6.793 ( -1.225 -15.002 -12.849) 19.791 7.049 ( 8.144 -1.467 4.136) 9.251 7.281 ( 0.958 -6.861 -3.038) 7.564 7.371 ( 3.946 -4.856 -3.157) 7.008 7.455 ( 2.901 0.959 -6.514) 7.195 7.564 ( -0.017 -8.196 2.834) 8.672 7.771 ( 4.810 -9.034 -7.482) 12.678 8.194 ( -4.689 -7.673 -3.101) 9.512 8.265 ( -3.931 -6.595 -5.002) 9.163 ======================= Grid point 402 (138/168) ======================= q-point: ( 0.40 0.36 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.094 ( 1.497 6.550 0.642) 6.749 2.124 ( -1.236 5.947 -0.529) 6.097 2.182 ( 1.483 4.722 1.819) 5.273 2.209 ( -1.005 5.204 1.146) 5.423 2.710 ( 3.784 3.421 0.736) 5.154 2.783 ( -3.491 2.093 -0.817) 4.151 3.033 ( 5.520 -4.967 -4.838) 8.863 3.144 ( -5.522 -7.213 -6.408) 11.117 3.613 ( 4.624 5.097 -3.611) 7.772 3.660 ( 0.659 2.298 -4.119) 4.762 3.812 ( -2.129 6.136 -2.560) 6.981 3.835 ( -3.645 4.002 -3.158) 6.267 6.188 ( 5.127 -9.026 5.863) 11.922 6.283 ( -4.488 -10.013 5.261) 12.168 6.679 ( 5.373 -11.169 -13.020) 17.976 6.757 ( -2.781 -14.108 -13.862) 19.973 7.185 ( 5.013 0.663 5.250) 7.290 7.255 ( -2.623 -0.763 3.270) 4.261 7.428 ( 2.150 -0.611 -1.621) 2.761 7.472 ( -2.107 0.543 -3.634) 4.235 7.738 ( 16.220 -11.859 -2.734) 20.279 7.928 ( 10.453 -8.368 -7.112) 15.161 8.034 ( -11.840 -9.230 -4.174) 15.582 8.138 ( -9.246 -7.561 -6.392) 13.547 ======================= Grid point 405 (139/168) ======================= q-point: ( 0.00 0.43 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.139 ( 0.000 2.927 1.268) 3.190 2.220 ( 0.000 1.558 -1.977) 2.517 2.282 ( 0.000 4.871 0.778) 4.933 2.320 ( 0.000 4.092 0.655) 4.144 2.741 ( 0.000 7.002 0.049) 7.002 2.847 ( 0.000 1.554 -5.678) 5.887 2.926 ( 0.000 0.147 -1.030) 1.040 3.076 ( 0.000 -9.209 -4.345) 10.182 3.541 ( 0.000 1.693 -8.373) 8.542 3.594 ( 0.000 -0.825 -7.306) 7.352 3.994 ( 0.000 1.634 -1.889) 2.498 4.013 ( 0.000 2.807 -2.676) 3.878 6.013 ( 0.000 2.248 -1.490) 2.698 6.283 ( 0.000 -2.519 -0.141) 2.523 6.320 ( 0.000 -8.299 -12.487) 14.993 6.529 ( 0.000 -13.225 -10.879) 17.124 6.863 ( 0.000 -3.872 -0.728) 3.939 6.941 ( 0.000 -11.563 -6.430) 13.231 7.354 ( 0.000 1.834 1.579) 2.420 7.445 ( 0.000 -0.935 0.864) 1.273 7.535 ( 0.000 -0.120 -2.906) 2.908 7.611 ( 0.000 -4.109 -5.811) 7.117 8.135 ( 0.000 -2.798 -4.073) 4.942 8.191 ( 0.000 -4.739 -5.504) 7.263 ======================= Grid point 406 (140/168) ======================= q-point: ( 0.20 0.43 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.148 ( 1.220 2.815 0.962) 3.216 2.214 ( -0.361 1.476 -1.863) 2.404 2.274 ( -0.721 4.727 0.924) 4.870 2.309 ( -1.236 3.258 0.680) 3.551 2.759 ( 1.765 6.499 -0.536) 6.755 2.863 ( 0.879 2.387 -5.437) 6.002 2.919 ( 0.001 -0.921 -1.429) 1.700 3.065 ( -1.424 -7.876 -5.299) 9.599 3.588 ( 4.523 2.068 -7.053) 8.631 3.626 ( 3.174 0.121 -6.670) 7.388 3.955 ( -3.707 1.401 -2.165) 4.516 3.977 ( -3.576 2.358 -3.049) 5.258 6.036 ( 2.231 1.476 -1.327) 2.986 6.233 ( -3.232 -2.365 -1.211) 4.183 6.371 ( 3.077 -10.993 -13.228) 17.473 6.503 ( -1.885 -13.872 -11.814) 18.318 7.017 ( 12.442 -1.602 1.576) 12.643 7.096 ( 14.733 -7.861 -1.476) 16.764 7.344 ( -0.779 1.338 1.491) 2.149 7.447 ( 0.363 -2.075 1.276) 2.463 7.520 ( -0.972 1.047 -4.779) 4.988 7.635 ( 3.259 -5.137 -7.608) 9.741 8.093 ( -4.808 -2.722 -4.171) 6.923 8.153 ( -4.272 -4.840 -5.729) 8.631 ======================= Grid point 407 (141/168) ======================= q-point: ( 0.40 0.43 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.188 ( 2.461 3.223 0.180) 4.059 2.213 ( 0.028 2.989 -1.151) 3.203 2.259 ( -0.548 2.751 0.888) 2.942 2.274 ( -2.045 1.694 0.953) 2.821 2.803 ( 2.589 5.458 -1.715) 6.280 2.849 ( -1.942 4.064 -2.999) 5.412 2.953 ( 3.104 -3.087 -4.481) 6.264 3.018 ( -3.223 -5.455 -5.763) 8.566 3.689 ( 4.864 2.844 -4.964) 7.510 3.704 ( 3.886 2.929 -5.407) 7.274 3.871 ( -3.817 0.106 -3.154) 4.953 3.889 ( -4.762 0.968 -3.874) 6.214 6.094 ( 3.540 -0.086 -1.151) 3.723 6.166 ( -3.694 -1.483 -1.047) 4.116 6.424 ( 2.432 -13.855 -14.436) 20.157 6.466 ( -1.948 -14.526 -13.495) 19.923 7.214 ( 6.411 2.483 5.667) 8.909 7.280 ( -0.611 2.916 5.578) 6.324 7.389 ( 4.625 -3.847 1.655) 6.240 7.442 ( -1.740 -3.759 2.341) 4.758 7.618 ( 15.040 -0.130 -9.037) 17.546 7.778 ( 11.406 -6.607 -9.734) 16.386 7.925 ( -12.903 -2.449 -4.840) 13.997 8.011 ( -10.454 -5.505 -6.986) 13.725 ======================= Grid point 410 (142/168) ======================= q-point: ( 0.00 -0.50 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.196 ( 0.000 -2.655 -0.390) 2.683 2.196 ( 0.000 2.655 -0.390) 2.683 2.350 ( 0.000 -1.144 1.206) 1.663 2.350 ( 0.000 1.144 1.206) 1.663 2.866 ( 0.000 -2.899 -2.386) 3.754 2.866 ( 0.000 2.899 -2.386) 3.754 2.931 ( 0.000 -3.256 -3.720) 4.944 2.931 ( 0.000 3.256 -3.720) 4.944 3.571 ( 0.000 -1.501 -8.663) 8.792 3.571 ( 0.000 1.501 -8.663) 8.792 4.022 ( 0.000 -1.183 -2.825) 3.062 4.022 ( 0.000 1.183 -2.825) 3.062 6.134 ( 0.000 -9.269 -9.804) 13.491 6.134 ( 0.000 9.269 -9.804) 13.491 6.326 ( 0.000 -6.821 -6.332) 9.307 6.326 ( 0.000 6.821 -6.332) 9.307 6.826 ( 0.000 -0.974 -2.648) 2.821 6.826 ( 0.000 0.974 -2.648) 2.821 7.404 ( 0.000 -2.844 2.476) 3.770 7.404 ( 0.000 2.844 2.476) 3.770 7.555 ( 0.000 -1.942 -4.944) 5.312 7.555 ( 0.000 1.942 -4.944) 5.312 8.126 ( 0.000 -1.690 -5.352) 5.613 8.126 ( 0.000 1.690 -5.352) 5.613 ======================= Grid point 412 (143/168) ======================= q-point: ( 0.20 -0.50 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.198 ( 0.625 -2.150 -0.269) 2.255 2.198 ( 0.625 2.150 -0.269) 2.255 2.333 ( -1.724 -0.955 1.024) 2.222 2.333 ( -1.725 0.955 1.024) 2.222 2.872 ( 0.778 -3.665 -2.818) 4.688 2.872 ( 0.778 3.665 -2.818) 4.688 2.936 ( 0.124 -4.662 -4.400) 6.412 2.936 ( 0.124 4.662 -4.400) 6.412 3.619 ( 4.674 -1.100 -7.374) 8.800 3.619 ( 4.674 1.100 -7.374) 8.800 3.980 ( -4.155 -1.242 -3.103) 5.332 3.980 ( -4.155 1.242 -3.103) 5.332 6.149 ( 1.449 -9.294 -9.763) 13.557 6.149 ( 1.449 9.294 -9.763) 13.557 6.290 ( -2.810 -7.011 -7.247) 10.468 6.290 ( -2.810 7.011 -7.247) 10.468 7.011 ( 16.045 -1.554 0.415) 16.126 7.011 ( 16.045 1.554 0.415) 16.126 7.392 ( -1.100 -3.127 2.697) 4.273 7.392 ( -1.100 3.127 2.697) 4.273 7.560 ( 1.240 -2.866 -6.696) 7.389 7.560 ( 1.240 2.866 -6.696) 7.389 8.086 ( -4.554 -1.803 -5.507) 7.370 8.086 ( -4.554 1.803 -5.507) 7.370 ======================= Grid point 414 (144/168) ======================= q-point: ( 0.40 -0.50 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.230 ( 2.577 -1.038 0.154) 2.782 2.230 ( 2.577 1.038 0.154) 2.782 2.287 ( -2.921 -0.437 0.636) 3.021 2.287 ( -2.921 0.437 0.636) 3.021 2.896 ( 1.617 -3.426 -3.977) 5.492 2.896 ( 1.617 3.426 -3.977) 5.493 2.926 ( -1.169 -4.039 -4.808) 6.387 2.926 ( -1.169 4.039 -4.808) 6.387 3.736 ( 6.931 -1.056 -5.257) 8.763 3.736 ( 6.931 1.056 -5.257) 8.763 3.872 ( -6.690 -1.280 -3.864) 7.831 3.872 ( -6.690 1.280 -3.864) 7.831 6.187 ( 2.320 -8.864 -9.397) 13.125 6.187 ( 2.320 8.864 -9.397) 13.125 6.236 ( -2.699 -7.890 -8.504) 11.911 6.236 ( -2.699 7.891 -8.504) 11.911 7.285 ( 8.455 -4.370 5.461) 10.972 7.285 ( 8.455 4.370 5.461) 10.972 7.364 ( -1.927 -3.810 3.735) 5.673 7.364 ( -1.927 3.810 3.735) 5.673 7.671 ( 11.793 -4.452 -9.869) 16.010 7.671 ( 11.793 4.452 -9.869) 16.010 7.929 ( -11.776 -2.584 -6.796) 13.840 7.929 ( -11.776 2.584 -6.796) 13.840 ======================= Grid point 450 (145/168) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.733 ( 0.000 0.000 -5.468) 5.468 1.733 ( 0.000 0.000 5.468) 5.468 1.997 ( 0.000 0.000 -3.880) 3.880 1.997 ( 0.000 0.000 3.880) 3.880 2.313 ( 0.000 0.000 -5.646) 5.646 2.313 ( 0.000 0.000 5.646) 5.646 2.496 ( 0.000 0.000 -4.098) 4.098 2.496 ( 0.000 0.000 4.098) 4.098 3.561 ( 0.000 0.000 -7.811) 7.811 3.561 ( 0.000 0.000 7.811) 7.811 3.913 ( 0.000 0.000 -5.469) 5.469 3.913 ( 0.000 0.000 5.469) 5.469 6.907 ( 0.000 0.000 -0.573) 0.573 6.907 ( 0.000 0.000 0.573) 0.573 7.101 ( 0.000 0.000 -2.575) 2.575 7.101 ( 0.000 0.000 2.575) 2.575 7.251 ( 0.000 0.000 -2.083) 2.083 7.251 ( 0.000 0.000 2.083) 2.083 7.605 ( 0.000 0.000 -2.672) 2.672 7.605 ( 0.000 0.000 2.672) 2.672 8.610 ( 0.000 0.000 -1.385) 1.385 8.610 ( 0.000 0.000 1.385) 1.385 9.394 ( 0.000 0.000 -1.833) 1.833 9.394 ( 0.000 0.000 1.833) 1.833 ======================= Grid point 452 (146/168) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.754 ( 1.833 0.000 -4.589) 4.941 1.754 ( 1.833 0.000 4.589) 4.941 1.996 ( -0.209 0.000 -3.544) 3.550 1.996 ( -0.209 0.000 3.544) 3.550 2.311 ( -0.188 0.000 -4.534) 4.538 2.311 ( -0.188 0.000 4.535) 4.538 2.495 ( -0.021 0.000 -3.279) 3.279 2.495 ( -0.021 0.000 3.279) 3.279 3.579 ( 1.749 0.000 -6.848) 7.068 3.579 ( 1.749 0.000 6.848) 7.068 3.899 ( -1.240 0.000 -5.213) 5.358 3.899 ( -1.240 0.000 5.213) 5.358 6.968 ( 5.822 0.000 -1.791) 6.091 6.968 ( 5.822 0.000 1.791) 6.091 7.099 ( -0.195 0.000 -1.958) 1.968 7.099 ( -0.195 0.000 1.958) 1.968 7.259 ( 0.730 0.000 -1.559) 1.722 7.259 ( 0.730 0.000 1.559) 1.722 7.568 ( -3.606 0.000 -2.807) 4.569 7.568 ( -3.606 0.000 2.807) 4.569 8.597 ( -1.115 0.000 -1.272) 1.691 8.597 ( -1.115 0.000 1.272) 1.691 9.405 ( 0.957 0.000 -1.450) 1.737 9.405 ( 0.957 0.000 1.450) 1.737 ======================= Grid point 454 (147/168) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.787 ( 1.162 0.000 -1.900) 2.227 1.787 ( 1.162 0.000 1.900) 2.227 1.987 ( -0.525 0.000 -1.606) 1.689 1.987 ( -0.525 0.000 1.606) 1.689 2.308 ( -0.116 0.000 -1.712) 1.716 2.308 ( -0.116 0.000 1.712) 1.716 2.495 ( -0.013 0.000 -1.230) 1.230 2.495 ( -0.013 0.000 1.230) 1.231 3.616 ( 1.468 0.000 -3.152) 3.477 3.616 ( 1.468 0.000 3.152) 3.477 3.874 ( -0.968 0.000 -2.665) 2.835 3.874 ( -0.968 0.000 2.665) 2.835 7.090 ( 5.031 0.000 -1.685) 5.306 7.090 ( 5.031 0.000 1.685) 5.306 7.096 ( -0.093 0.000 -0.688) 0.694 7.096 ( -0.093 0.000 0.688) 0.694 7.272 ( 0.424 0.000 -0.535) 0.683 7.272 ( 0.424 0.000 0.535) 0.683 7.486 ( -3.677 0.000 -1.903) 4.140 7.486 ( -3.677 0.000 1.903) 4.140 8.578 ( -0.646 0.000 -0.571) 0.862 8.578 ( -0.646 0.000 0.571) 0.862 9.422 ( 0.558 0.000 -0.547) 0.781 9.422 ( 0.558 0.000 0.547) 0.781 ======================= Grid point 460 (148/168) ======================= q-point: ( 0.00 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.741 ( 0.000 1.146 -3.736) 3.908 1.741 ( 0.000 1.146 3.736) 3.908 1.977 ( 0.000 -1.198 -1.482) 1.906 1.977 ( 0.000 -1.198 1.482) 1.906 2.420 ( 0.000 9.797 -4.508) 10.785 2.420 ( 0.000 9.797 4.508) 10.785 2.560 ( 0.000 5.889 -4.246) 7.261 2.560 ( 0.000 5.889 4.246) 7.261 3.552 ( 0.000 -0.659 -6.931) 6.962 3.552 ( 0.000 -0.659 6.931) 6.962 3.882 ( 0.000 -3.065 -4.852) 5.739 3.882 ( 0.000 -3.065 4.852) 5.739 6.841 ( 0.000 -5.784 -0.526) 5.808 6.841 ( 0.000 -5.784 0.526) 5.808 7.135 ( 0.000 2.462 -2.650) 3.617 7.135 ( 0.000 2.462 2.650) 3.617 7.246 ( 0.000 -0.568 -2.946) 3.000 7.246 ( 0.000 -0.568 2.946) 3.000 7.582 ( 0.000 -2.315 -2.549) 3.443 7.582 ( 0.000 -2.315 2.549) 3.443 8.563 ( 0.000 -4.775 -1.310) 4.951 8.563 ( 0.000 -4.775 1.310) 4.951 9.290 ( 0.000 -10.395 -2.165) 10.618 9.290 ( 0.000 -10.395 2.165) 10.618 ======================= Grid point 462 (149/168) ======================= q-point: ( 0.20 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.763 ( 1.905 1.153 -3.146) 3.854 1.763 ( 1.905 1.153 3.146) 3.854 1.971 ( -0.771 -1.525 -1.752) 2.447 1.971 ( -0.771 -1.525 1.752) 2.447 2.430 ( 0.860 10.599 -3.781) 11.286 2.430 ( 0.860 10.599 3.781) 11.286 2.559 ( -0.118 5.920 -3.656) 6.959 2.559 ( -0.118 5.920 3.656) 6.959 3.565 ( 1.261 -1.219 -6.027) 6.277 3.565 ( 1.261 -1.219 6.027) 6.277 3.868 ( -1.259 -3.093 -4.648) 5.723 3.868 ( -1.259 -3.093 4.648) 5.723 6.906 ( 6.090 -5.341 -0.767) 8.136 6.906 ( 6.090 -5.341 0.767) 8.136 7.129 ( -0.554 1.945 -2.080) 2.901 7.129 ( -0.554 1.945 2.080) 2.901 7.255 ( 0.775 -0.486 -2.104) 2.294 7.255 ( 0.775 -0.486 2.104) 2.294 7.550 ( -3.125 -1.832 -2.682) 4.507 7.550 ( -3.125 -1.832 2.682) 4.507 8.550 ( -1.068 -4.693 -1.228) 4.967 8.550 ( -1.068 -4.693 1.228) 4.967 9.301 ( 0.913 -10.466 -1.690) 10.641 9.301 ( 0.913 -10.466 1.690) 10.641 ======================= Grid point 464 (150/168) ======================= q-point: ( 0.40 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.798 ( 1.303 1.282 -1.344) 2.269 1.798 ( 1.303 1.282 1.345) 2.269 1.951 ( -0.918 -2.064 -1.000) 2.471 1.951 ( -0.918 -2.064 1.000) 2.471 2.446 ( 0.604 12.080 -1.650) 12.207 2.446 ( 0.604 12.080 1.650) 12.207 2.556 ( -0.194 5.709 -1.636) 5.942 2.556 ( -0.194 5.709 1.636) 5.942 3.593 ( 1.140 -2.190 -2.722) 3.674 3.593 ( 1.140 -2.190 2.722) 3.674 3.843 ( -0.946 -3.077 -2.353) 3.988 3.843 ( -0.946 -3.077 2.353) 3.988 7.035 ( 5.745 -3.934 -0.655) 6.994 7.035 ( 5.745 -3.934 0.655) 6.994 7.113 ( -1.305 -0.114 -1.882) 2.293 7.113 ( -1.305 -0.114 1.882) 2.293 7.269 ( 0.481 -0.348 -0.645) 0.876 7.269 ( 0.481 -0.348 0.645) 0.876 7.481 ( -2.965 -0.521 -1.757) 3.486 7.481 ( -2.965 -0.521 1.757) 3.486 8.532 ( -0.630 -4.587 -0.566) 4.665 8.532 ( -0.630 -4.587 0.566) 4.665 9.317 ( 0.535 -10.572 -0.618) 10.603 9.317 ( 0.535 -10.572 0.618) 10.603 ======================= Grid point 470 (151/168) ======================= q-point: ( 0.00 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.790 ( 0.000 3.934 -0.520) 3.968 1.790 ( 0.000 3.934 0.520) 3.968 1.971 ( 0.000 0.775 -0.793) 1.109 1.971 ( 0.000 0.775 0.794) 1.109 2.631 ( 0.000 8.735 -6.387) 10.821 2.631 ( 0.000 8.735 6.387) 10.821 2.699 ( 0.000 9.405 -4.740) 10.532 2.699 ( 0.000 9.405 4.740) 10.532 3.551 ( 0.000 1.056 -4.326) 4.453 3.551 ( 0.000 1.056 4.326) 4.453 3.800 ( 0.000 -5.090 -2.725) 5.774 3.800 ( 0.000 -5.090 2.725) 5.774 6.707 ( 0.000 -7.618 -2.368) 7.977 6.707 ( 0.000 -7.618 2.368) 7.977 7.167 ( 0.000 -0.167 -5.432) 5.434 7.167 ( 0.000 -0.167 5.432) 5.434 7.225 ( 0.000 -1.354 -4.205) 4.418 7.225 ( 0.000 -1.354 4.205) 4.418 7.518 ( 0.000 -4.011 -2.071) 4.514 7.518 ( 0.000 -4.011 2.071) 4.514 8.427 ( 0.000 -9.131 -1.362) 9.232 8.427 ( 0.000 -9.131 1.362) 9.232 9.011 ( 0.000 -17.446 -2.661) 17.648 9.011 ( 0.000 -17.446 2.661) 17.648 ======================= Grid point 472 (152/168) ======================= q-point: ( 0.20 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.810 ( 1.795 3.773 -0.598) 4.221 1.810 ( 1.795 3.773 0.598) 4.221 1.962 ( -0.983 0.788 -1.602) 2.038 1.962 ( -0.983 0.788 1.602) 2.038 2.651 ( 1.687 8.585 -5.944) 10.577 2.651 ( 1.687 8.585 5.944) 10.577 2.705 ( 0.639 10.495 -4.797) 11.557 2.705 ( 0.639 10.495 4.797) 11.557 3.548 ( -0.253 0.016 -3.578) 3.587 3.548 ( -0.253 0.016 3.578) 3.587 3.786 ( -1.259 -5.089 -2.764) 5.927 3.786 ( -1.259 -5.089 2.764) 5.927 6.783 ( 7.087 -7.082 -2.332) 10.287 6.783 ( 7.087 -7.082 2.332) 10.287 7.145 ( -2.086 -0.995 -3.863) 4.501 7.145 ( -2.086 -0.995 3.863) 4.501 7.238 ( 1.096 -1.106 -2.017) 2.548 7.238 ( 1.096 -1.106 2.017) 2.548 7.500 ( -1.718 -3.110 -2.191) 4.175 7.500 ( -1.718 -3.110 2.191) 4.175 8.420 ( -0.651 -8.625 -1.313) 8.749 8.420 ( -0.651 -8.625 1.313) 8.749 9.017 ( 0.549 -17.884 -2.120) 18.018 9.017 ( 0.549 -17.884 2.120) 18.018 ======================= Grid point 474 (153/168) ======================= q-point: ( 0.40 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.845 ( 1.395 3.633 -0.545) 3.929 1.845 ( 1.395 3.633 0.545) 3.929 1.938 ( -1.116 0.813 -1.233) 1.851 1.938 ( -1.116 0.813 1.233) 1.851 2.677 ( 0.720 6.779 -2.563) 7.283 2.677 ( 0.720 6.779 2.563) 7.283 2.721 ( 0.666 13.974 -2.251) 14.170 2.721 ( 0.666 13.974 2.251) 14.170 3.546 ( 0.037 -2.045 -1.444) 2.504 3.546 ( 0.037 -2.045 1.444) 2.504 3.762 ( -0.833 -4.920 -1.375) 5.176 3.762 ( -0.833 -4.920 1.375) 5.176 6.938 ( 7.543 -6.083 -2.223) 9.942 6.938 ( 7.543 -6.083 2.223) 9.942 7.084 ( -4.211 -3.016 -2.702) 5.842 7.084 ( -4.211 -3.016 2.702) 5.842 7.258 ( 0.731 -0.691 -0.262) 1.039 7.258 ( 0.731 -0.691 0.262) 1.039 7.465 ( -1.381 -1.171 -1.302) 2.230 7.465 ( -1.381 -1.171 1.302) 2.230 8.408 ( -0.379 -7.746 -0.630) 7.781 8.408 ( -0.379 -7.746 0.630) 7.781 9.027 ( 0.310 -18.632 -0.796) 18.651 9.027 ( 0.310 -18.632 0.796) 18.651 ======================= Grid point 480 (154/168) ======================= q-point: ( 0.00 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.889 ( 0.000 6.063 -1.920) 6.359 1.889 ( 0.000 6.063 1.920) 6.359 2.009 ( 0.000 3.016 -0.916) 3.152 2.009 ( 0.000 3.016 0.916) 3.152 2.701 ( 0.000 0.149 -9.329) 9.330 2.701 ( 0.000 0.149 9.329) 9.330 2.924 ( 0.000 11.134 -7.166) 13.240 2.924 ( 0.000 11.134 7.166) 13.240 3.589 ( 0.000 1.073 -2.475) 2.697 3.589 ( 0.000 1.073 2.475) 2.697 3.714 ( 0.000 -1.693 -2.161) 2.745 3.714 ( 0.000 -1.693 2.161) 2.745 6.552 ( 0.000 -8.151 -4.832) 9.476 6.552 ( 0.000 -8.151 4.832) 9.476 7.076 ( 0.000 -8.877 -9.477) 12.985 7.076 ( 0.000 -8.877 9.477) 12.985 7.219 ( 0.000 0.044 -6.010) 6.010 7.219 ( 0.000 0.044 6.010) 6.010 7.442 ( 0.000 -3.436 -0.698) 3.506 7.442 ( 0.000 -3.436 0.698) 3.506 8.197 ( 0.000 -14.918 -1.770) 15.023 8.197 ( 0.000 -14.918 1.770) 15.023 8.664 ( 0.000 -16.543 -1.801) 16.641 8.664 ( 0.000 -16.543 1.801) 16.641 ======================= Grid point 482 (155/168) ======================= q-point: ( 0.20 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.905 ( 1.464 5.776 -2.076) 6.310 1.905 ( 1.464 5.776 2.076) 6.310 2.001 ( -0.829 3.180 -1.972) 3.833 2.001 ( -0.829 3.180 1.972) 3.833 2.726 ( 2.118 0.565 -8.012) 8.306 2.726 ( 2.118 0.565 8.012) 8.306 2.939 ( 1.485 10.923 -6.503) 12.798 2.939 ( 1.485 10.923 6.503) 12.798 3.570 ( -1.820 1.159 -2.132) 3.034 3.570 ( -1.820 1.159 2.132) 3.034 3.698 ( -1.323 -2.248 -1.732) 3.132 3.698 ( -1.323 -2.248 1.733) 3.132 6.634 ( 7.560 -8.133 -5.055) 12.200 6.634 ( 7.560 -8.133 5.055) 12.200 7.055 ( -2.362 -8.465 -7.911) 11.825 7.055 ( -2.362 -8.465 7.911) 11.825 7.228 ( 0.949 -0.014 -4.632) 4.728 7.228 ( 0.949 -0.014 4.632) 4.728 7.441 ( -0.197 -2.793 -0.994) 2.972 7.441 ( -0.197 -2.793 0.994) 2.972 8.209 ( 1.308 -13.406 -1.646) 13.570 8.209 ( 1.308 -13.406 1.646) 13.570 8.653 ( -1.148 -17.905 -1.627) 18.015 8.653 ( -1.148 -17.905 1.627) 18.015 ======================= Grid point 484 (156/168) ======================= q-point: ( 0.40 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.938 ( 1.693 5.573 -2.201) 6.226 1.938 ( 1.693 5.573 2.201) 6.226 1.978 ( -1.428 3.309 -2.454) 4.360 1.978 ( -1.428 3.309 2.454) 4.360 2.761 ( 1.075 1.670 -3.213) 3.778 2.761 ( 1.075 1.670 3.213) 3.778 2.972 ( 1.377 10.387 -2.765) 10.837 2.972 ( 1.377 10.387 2.765) 10.837 3.533 ( -1.440 0.785 -0.883) 1.863 3.533 ( -1.441 0.785 0.883) 1.863 3.676 ( -0.673 -2.902 -0.615) 3.042 3.676 ( -0.673 -2.902 0.615) 3.042 6.794 ( 7.214 -8.864 -4.431) 12.258 6.794 ( 7.214 -8.864 4.431) 12.258 6.984 ( -4.362 -7.483 -5.019) 10.011 6.984 ( -4.362 -7.483 5.019) 10.011 7.249 ( 0.882 -0.012 -1.776) 1.983 7.249 ( 0.882 -0.012 1.776) 1.983 7.435 ( -0.245 -1.798 -0.569) 1.901 7.435 ( -0.245 -1.798 0.569) 1.901 8.241 ( 1.365 -9.381 -0.820) 9.516 8.241 ( 1.365 -9.381 0.820) 9.516 8.626 ( -1.145 -21.345 -0.783) 21.390 8.626 ( -1.145 -21.345 0.783) 21.390 ======================= Grid point 490 (157/168) ======================= q-point: ( 0.00 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.015 ( 0.000 6.590 -2.547) 7.065 2.015 ( 0.000 6.590 2.547) 7.065 2.084 ( 0.000 4.599 -0.382) 4.615 2.084 ( 0.000 4.599 0.382) 4.615 2.681 ( 0.000 -1.196 -8.883) 8.963 2.681 ( 0.000 -1.196 8.883) 8.963 3.077 ( 0.000 3.653 -11.073) 11.660 3.077 ( 0.000 3.653 11.073) 11.660 3.546 ( 0.000 -3.122 -2.519) 4.012 3.546 ( 0.000 -3.122 2.519) 4.012 3.785 ( 0.000 6.633 -2.705) 7.163 3.785 ( 0.000 6.633 2.705) 7.163 6.393 ( 0.000 -8.191 -8.066) 11.496 6.393 ( 0.000 -8.191 8.066) 11.496 6.848 ( 0.000 -13.746 -10.948) 17.573 6.848 ( 0.000 -13.746 10.948) 17.573 7.194 ( 0.000 -3.612 -9.487) 10.151 7.194 ( 0.000 -3.612 9.487) 10.151 7.387 ( 0.000 -2.121 -1.051) 2.367 7.387 ( 0.000 -2.121 1.051) 2.367 7.870 ( 0.000 -16.581 -3.190) 16.885 7.870 ( 0.000 -16.581 3.191) 16.885 8.402 ( 0.000 -10.583 -0.615) 10.600 8.402 ( 0.000 -10.583 0.615) 10.600 ======================= Grid point 492 (158/168) ======================= q-point: ( 0.20 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.020 ( 0.401 5.579 -2.301) 6.048 2.020 ( 0.401 5.579 2.301) 6.048 2.086 ( 0.110 5.510 -0.476) 5.532 2.086 ( 0.110 5.510 0.476) 5.532 2.708 ( 2.522 -1.322 -7.919) 8.416 2.708 ( 2.522 -1.322 7.919) 8.416 3.079 ( 0.144 2.646 -10.292) 10.628 3.079 ( 0.144 2.646 10.292) 10.628 3.547 ( 0.244 -1.792 -3.496) 3.936 3.547 ( 0.244 -1.792 3.496) 3.936 3.754 ( -2.955 6.183 -2.591) 7.326 3.754 ( -2.955 6.183 2.591) 7.326 6.466 ( 6.562 -9.112 -8.567) 14.124 6.466 ( 6.562 -9.112 8.567) 14.124 6.834 ( -1.623 -13.637 -10.431) 17.245 6.834 ( -1.623 -13.637 10.431) 17.245 7.223 ( 2.466 -0.973 -8.115) 8.537 7.223 ( 2.466 -0.973 8.115) 8.537 7.391 ( 0.443 -2.216 -0.863) 2.419 7.391 ( 0.443 -2.216 0.863) 2.419 7.904 ( 3.966 -16.496 -3.414) 17.306 7.904 ( 3.966 -16.496 3.414) 17.306 8.368 ( -3.705 -11.290 -0.876) 11.914 8.368 ( -3.705 -11.290 0.876) 11.914 ======================= Grid point 494 (159/168) ======================= q-point: ( 0.40 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.028 ( 0.339 3.987 -1.075) 4.143 2.028 ( 0.339 3.987 1.075) 4.143 2.086 ( -0.046 7.107 -0.598) 7.132 2.086 ( -0.046 7.107 0.598) 7.132 2.756 ( 1.683 -1.267 -3.684) 4.244 2.756 ( 1.683 -1.267 3.684) 4.244 3.081 ( 0.035 0.377 -4.986) 5.000 3.081 ( 0.035 0.377 4.986) 5.000 3.559 ( 0.835 1.739 -2.636) 3.267 3.559 ( 0.835 1.739 2.636) 3.267 3.692 ( -2.552 4.397 -1.753) 5.377 3.692 ( -2.552 4.397 1.753) 5.377 6.594 ( 5.077 -11.445 -6.555) 14.133 6.594 ( 5.077 -11.445 6.555) 14.133 6.788 ( -2.546 -12.668 -7.036) 14.713 6.788 ( -2.546 -12.668 7.036) 14.713 7.264 ( 1.255 1.576 -3.178) 3.762 7.264 ( 1.255 1.576 3.178) 3.762 7.398 ( 0.113 -1.880 -0.415) 1.929 7.398 ( 0.113 -1.880 0.415) 1.929 8.033 ( 8.326 -12.460 -2.593) 15.208 8.033 ( 8.326 -12.460 2.593) 15.208 8.256 ( -7.326 -15.111 -1.342) 16.847 8.256 ( -7.326 -15.111 1.342) 16.847 ======================= Grid point 500 (160/168) ======================= q-point: ( 0.00 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.123 ( 0.000 3.944 -1.105) 4.096 2.123 ( 0.000 3.944 1.105) 4.096 2.191 ( 0.000 6.397 -1.335) 6.534 2.191 ( 0.000 6.397 1.335) 6.534 2.688 ( 0.000 2.428 -5.677) 6.175 2.688 ( 0.000 2.428 5.677) 6.175 3.066 ( 0.000 -3.836 -10.171) 10.870 3.066 ( 0.000 -3.836 10.171) 10.870 3.506 ( 0.000 -1.269 -4.147) 4.336 3.506 ( 0.000 -1.269 4.147) 4.336 3.911 ( 0.000 5.462 -0.930) 5.540 3.911 ( 0.000 5.462 0.930) 5.540 6.234 ( 0.000 -8.059 -10.844) 13.510 6.234 ( 0.000 -8.059 10.844) 13.510 6.574 ( 0.000 -13.649 -10.325) 17.115 6.574 ( 0.000 -13.649 10.325) 17.115 7.048 ( 0.000 -10.480 -6.793) 12.489 7.048 ( 0.000 -10.480 6.793) 12.489 7.375 ( 0.000 0.894 -2.991) 3.122 7.375 ( 0.000 0.894 2.991) 3.122 7.630 ( 0.000 -7.734 -3.601) 8.531 7.630 ( 0.000 -7.734 3.601) 8.531 8.231 ( 0.000 -7.404 -2.032) 7.678 8.231 ( 0.000 -7.404 2.032) 7.678 ======================= Grid point 502 (161/168) ======================= q-point: ( 0.20 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.115 ( -0.478 4.145 -1.764) 4.530 2.115 ( -0.478 4.145 1.764) 4.530 2.201 ( 0.761 5.840 -1.886) 6.184 2.201 ( 0.761 5.840 1.886) 6.184 2.710 ( 2.028 2.046 -5.230) 5.971 2.710 ( 2.028 2.046 5.230) 5.971 3.052 ( -1.370 -4.259 -8.935) 9.992 3.052 ( -1.370 -4.259 8.935) 9.992 3.533 ( 2.669 -0.056 -3.500) 4.401 3.533 ( 2.669 -0.056 3.500) 4.401 3.874 ( -3.540 5.278 -0.927) 6.422 3.874 ( -3.540 5.278 0.927) 6.422 6.282 ( 4.255 -9.514 -11.075) 15.208 6.282 ( 4.255 -9.514 11.075) 15.208 6.553 ( -1.962 -14.410 -9.950) 17.621 6.553 ( -1.962 -14.410 9.950) 17.621 7.162 ( 9.929 -5.347 -6.777) 13.157 7.162 ( 9.929 -5.347 6.777) 13.157 7.370 ( -0.289 0.454 -2.936) 2.985 7.370 ( -0.289 0.454 2.936) 2.985 7.643 ( 2.325 -9.371 -5.080) 10.910 7.643 ( 2.325 -9.371 5.080) 10.910 8.190 ( -4.536 -7.515 -2.222) 9.055 8.190 ( -4.536 -7.515 2.222) 9.055 ======================= Grid point 504 (162/168) ======================= q-point: ( 0.40 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.111 ( -0.002 4.526 -0.781) 4.593 2.111 ( -0.002 4.526 0.781) 4.593 2.213 ( 0.324 5.174 -0.876) 5.258 2.213 ( 0.324 5.174 0.876) 5.258 2.750 ( 1.500 1.362 -2.648) 3.335 2.750 ( 1.500 1.362 2.648) 3.335 3.023 ( -1.154 -4.924 -4.089) 6.503 3.023 ( -1.154 -4.924 4.089) 6.503 3.598 ( 3.215 2.061 -1.678) 4.171 3.598 ( 3.215 2.061 1.678) 4.171 3.793 ( -3.750 4.683 -0.722) 6.043 3.793 ( -3.750 4.683 0.722) 6.043 6.364 ( 3.236 -11.585 -7.669) 14.265 6.364 ( 3.236 -11.585 7.669) 14.265 6.509 ( -2.073 -15.088 -6.967) 16.748 6.509 ( -2.073 -15.088 6.967) 16.748 7.308 ( 3.134 2.743 -3.792) 5.632 7.308 ( 3.134 2.743 3.792) 5.632 7.371 ( 0.285 -0.618 -1.042) 1.245 7.371 ( 0.285 -0.618 1.042) 1.245 7.783 ( 12.239 -11.726 -5.731) 17.892 7.783 ( 12.239 -11.726 5.731) 17.892 8.040 ( -10.977 -8.307 -3.166) 14.126 8.040 ( -10.977 -8.307 3.166) 14.126 ======================= Grid point 510 (163/168) ======================= q-point: ( 0.00 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.175 ( 0.000 1.704 -2.188) 2.773 2.175 ( 0.000 1.704 2.188) 2.773 2.310 ( 0.000 5.084 -1.466) 5.291 2.310 ( 0.000 5.084 1.466) 5.291 2.767 ( 0.000 5.015 -2.377) 5.549 2.767 ( 0.000 5.014 2.377) 5.549 2.970 ( 0.000 -5.192 -5.058) 7.249 2.970 ( 0.000 -5.192 5.058) 7.249 3.484 ( 0.000 -0.964 -2.419) 2.605 3.484 ( 0.000 -0.964 2.419) 2.605 3.981 ( 0.000 1.739 -0.537) 1.820 3.981 ( 0.000 1.739 0.537) 1.820 6.093 ( 0.000 -5.856 -8.665) 10.458 6.093 ( 0.000 -5.856 8.665) 10.458 6.349 ( 0.000 -8.675 -6.463) 10.818 6.349 ( 0.000 -8.675 6.463) 10.818 6.865 ( 0.000 -6.866 -1.435) 7.014 6.865 ( 0.000 -6.866 1.435) 7.014 7.409 ( 0.000 2.239 -3.333) 4.015 7.409 ( 0.000 2.239 3.333) 4.015 7.534 ( 0.000 -3.123 -2.110) 3.769 7.534 ( 0.000 -3.123 2.110) 3.769 8.113 ( 0.000 -4.452 -1.794) 4.800 8.113 ( 0.000 -4.452 1.794) 4.800 ======================= Grid point 512 (164/168) ======================= q-point: ( 0.20 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.176 ( 0.414 2.089 -1.714) 2.733 2.176 ( 0.414 2.089 1.714) 2.733 2.301 ( -0.913 4.137 -1.321) 4.438 2.301 ( -0.914 4.137 1.321) 4.438 2.781 ( 1.198 4.438 -2.571) 5.267 2.781 ( 1.198 4.438 2.571) 5.267 2.956 ( -1.361 -4.896 -4.620) 6.868 2.956 ( -1.361 -4.896 4.620) 6.868 3.534 ( 4.758 0.234 -1.586) 5.020 3.534 ( 4.758 0.234 1.586) 5.020 3.940 ( -4.007 1.460 -0.598) 4.306 3.940 ( -4.007 1.460 0.598) 4.306 6.117 ( 2.275 -6.753 -8.632) 11.193 6.117 ( 2.275 -6.753 8.632) 11.193 6.311 ( -3.077 -9.433 -6.532) 11.880 6.311 ( -3.077 -9.433 6.532) 11.880 7.058 ( 17.221 -4.237 -2.262) 17.878 7.058 ( 17.221 -4.237 2.262) 17.878 7.401 ( -0.596 2.311 -3.852) 4.531 7.401 ( -0.596 2.311 3.852) 4.531 7.523 ( -0.551 -3.899 -3.483) 5.257 7.523 ( -0.551 -3.899 3.483) 5.257 8.072 ( -4.739 -4.473 -1.917) 6.793 8.072 ( -4.739 -4.473 1.917) 6.793 ======================= Grid point 514 (165/168) ======================= q-point: ( 0.40 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.195 ( 1.143 3.657 -0.585) 3.876 2.195 ( 1.143 3.657 0.585) 3.876 2.278 ( -1.109 1.839 -0.601) 2.230 2.278 ( -1.109 1.839 0.601) 2.230 2.804 ( 0.934 3.430 -1.550) 3.878 2.804 ( 0.934 3.430 1.550) 3.878 2.928 ( -1.081 -4.216 -2.281) 4.914 2.928 ( -1.081 -4.216 2.281) 4.914 3.642 ( 5.215 2.638 -0.468) 5.863 3.642 ( 5.215 2.638 0.468) 5.863 3.844 ( -4.890 0.305 -0.488) 4.924 3.844 ( -4.890 0.305 0.488) 4.924 6.169 ( 2.695 -7.760 -7.063) 10.834 6.169 ( 2.695 -7.760 7.063) 10.834 6.250 ( -2.848 -10.177 -6.164) 12.234 6.250 ( -2.848 -10.177 6.164) 12.234 7.348 ( 6.560 1.094 -6.250) 9.126 7.348 ( 6.560 1.094 6.250) 9.126 7.392 ( -0.427 2.611 -5.520) 6.121 7.392 ( -0.427 2.611 5.520) 6.121 7.603 ( 12.547 -6.717 -6.660) 15.713 7.603 ( 12.547 -6.717 6.660) 15.713 7.908 ( -12.220 -5.174 -2.745) 13.552 7.908 ( -12.220 -5.174 2.745) 13.552 ======================= Grid point 520 (166/168) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.192 ( 0.000 -0.000 0.000) 0.000 2.192 ( 0.000 0.000 0.000) 0.000 2.364 ( 0.000 -0.000 0.000) 0.000 2.364 ( 0.000 0.000 0.000) 0.000 2.847 ( 0.000 -0.000 0.000) 0.000 2.847 ( 0.000 0.000 0.000) 0.000 2.890 ( 0.000 -0.000 0.000) 0.000 2.890 ( 0.000 0.000 0.000) 0.000 3.474 ( 0.000 0.000 0.000) 0.000 3.474 ( 0.000 0.000 0.000) 0.000 3.993 ( 0.000 0.000 0.000) 0.000 3.993 ( 0.000 0.000 0.000) 0.000 6.031 ( 0.000 0.000 0.000) 0.000 6.031 ( 0.000 0.000 0.000) 0.000 6.261 ( 0.000 0.000 0.000) 0.000 6.261 ( 0.000 0.000 0.000) 0.000 6.798 ( 0.000 0.000 0.000) 0.000 6.798 ( 0.000 0.000 0.000) 0.000 7.441 ( 0.000 0.000 0.000) 0.000 7.441 ( 0.000 0.000 0.000) 0.000 7.497 ( 0.000 0.000 -0.000) 0.000 7.497 ( 0.000 0.000 0.000) 0.000 8.068 ( 0.000 0.000 0.000) 0.000 8.068 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 524 (167/168) ======================= q-point: ( 0.20 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.196 ( 0.827 -0.000 0.000) 0.827 2.196 ( 0.827 0.000 0.000) 0.827 2.345 ( -1.858 -0.000 0.000) 1.858 2.345 ( -1.858 0.000 0.000) 1.858 2.852 ( 0.359 -0.000 0.000) 0.359 2.852 ( 0.359 0.000 0.000) 0.359 2.882 ( -0.745 -0.000 0.000) 0.745 2.882 ( -0.745 0.000 0.000) 0.745 3.539 ( 6.057 0.000 0.000) 6.057 3.539 ( 6.057 0.000 0.000) 6.057 3.949 ( -4.431 0.000 0.000) 4.431 3.949 ( -4.431 0.000 0.000) 4.431 6.047 ( 1.549 0.000 0.000) 1.549 6.047 ( 1.549 0.000 0.000) 1.549 6.215 ( -3.541 0.000 0.000) 3.541 6.215 ( -3.541 0.000 0.000) 3.541 7.016 ( 19.451 0.000 0.000) 19.451 7.016 ( 19.451 0.000 0.000) 19.451 7.439 ( 0.180 -0.000 0.000) 0.180 7.439 ( 0.180 0.000 0.000) 0.180 7.475 ( -2.110 0.000 -0.000) 2.110 7.475 ( -2.110 0.000 0.000) 2.110 8.026 ( -4.827 0.000 0.000) 4.827 8.026 ( -4.827 0.000 0.000) 4.827 ======================= Grid point 528 (168/168) ======================= q-point: ( 0.40 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.234 ( 2.891 -0.000 0.000) 2.891 2.234 ( 2.891 -0.000 0.000) 2.891 2.295 ( -3.126 -0.000 0.000) 3.126 2.295 ( -3.126 0.000 0.000) 3.126 2.859 ( 0.383 -0.001 0.000) 0.383 2.859 ( 0.383 0.000 0.000) 0.383 2.868 ( -0.586 -0.000 0.000) 0.586 2.868 ( -0.586 0.001 -0.000) 0.586 3.681 ( 7.988 -0.000 0.000) 7.988 3.681 ( 7.988 0.000 0.000) 7.988 3.832 ( -7.235 0.000 0.000) 7.235 3.832 ( -7.235 0.000 0.000) 7.235 6.089 ( 2.667 0.000 0.000) 2.667 6.089 ( 2.667 0.000 0.000) 2.667 6.147 ( -3.314 0.000 0.000) 3.314 6.147 ( -3.314 0.000 0.000) 3.314 7.361 ( 7.872 0.000 -0.000) 7.872 7.361 ( 7.872 0.000 0.000) 7.872 7.427 ( -2.503 0.000 0.000) 2.503 7.427 ( -2.503 0.000 0.000) 2.503 7.531 ( 15.178 0.000 -0.000) 15.178 7.531 ( 15.178 0.000 0.000) 15.178 7.853 ( -13.505 0.000 -0.000) 13.505 7.853 ( -13.505 0.000 0.000) 13.505 =================== 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 3/20160 10.0 164.046 168.347 160.834 0.000 0.000 0.000 3/20160 20.0 46.624 75.763 57.756 0.000 0.000 0.000 3/20160 30.0 20.566 44.455 28.189 0.000 0.000 0.000 3/20160 40.0 12.464 33.204 18.143 0.000 0.000 0.000 3/20160 50.0 8.929 27.263 13.524 0.000 0.000 0.000 3/20160 60.0 6.997 23.220 10.886 0.000 0.000 0.000 3/20160 70.0 5.786 20.178 9.166 0.000 0.000 0.000 3/20160 80.0 4.956 17.798 7.950 0.000 0.000 0.000 3/20160 90.0 4.351 15.898 7.041 0.000 0.000 0.000 3/20160 100.0 3.890 14.356 6.335 0.000 0.000 0.000 3/20160 110.0 3.525 13.083 5.769 0.000 0.000 0.000 3/20160 120.0 3.229 12.019 5.302 0.000 0.000 0.000 3/20160 130.0 2.982 11.116 4.910 0.000 0.000 0.000 3/20160 140.0 2.773 10.342 4.575 0.000 0.000 0.000 3/20160 150.0 2.593 9.670 4.285 0.000 0.000 0.000 3/20160 160.0 2.436 9.082 4.032 0.000 0.000 0.000 3/20160 170.0 2.298 8.563 3.807 0.000 0.000 0.000 3/20160 180.0 2.176 8.101 3.607 0.000 0.000 0.000 3/20160 190.0 2.066 7.687 3.428 0.000 0.000 0.000 3/20160 200.0 1.967 7.315 3.265 0.000 0.000 0.000 3/20160 210.0 1.877 6.977 3.118 0.000 0.000 0.000 3/20160 220.0 1.796 6.670 2.984 0.000 0.000 0.000 3/20160 230.0 1.721 6.389 2.860 0.000 0.000 0.000 3/20160 240.0 1.652 6.131 2.747 0.000 0.000 0.000 3/20160 250.0 1.589 5.893 2.642 0.000 0.000 0.000 3/20160 260.0 1.530 5.674 2.545 0.000 0.000 0.000 3/20160 270.0 1.476 5.470 2.455 0.000 0.000 0.000 3/20160 280.0 1.425 5.281 2.371 0.000 0.000 0.000 3/20160 290.0 1.378 5.104 2.293 0.000 0.000 0.000 3/20160 300.0 1.334 4.939 2.220 0.000 0.000 0.000 3/20160 310.0 1.292 4.785 2.151 0.000 0.000 0.000 3/20160 320.0 1.253 4.640 2.087 0.000 0.000 0.000 3/20160 330.0 1.217 4.503 2.026 0.000 0.000 0.000 3/20160 340.0 1.182 4.375 1.968 0.000 0.000 0.000 3/20160 350.0 1.149 4.253 1.914 0.000 0.000 0.000 3/20160 360.0 1.118 4.139 1.863 0.000 0.000 0.000 3/20160 370.0 1.089 4.030 1.814 0.000 0.000 0.000 3/20160 380.0 1.061 3.927 1.768 0.000 0.000 0.000 3/20160 390.0 1.035 3.829 1.724 0.000 0.000 0.000 3/20160 400.0 1.010 3.736 1.682 0.000 0.000 0.000 3/20160 410.0 0.986 3.647 1.642 0.000 0.000 0.000 3/20160 420.0 0.963 3.562 1.605 0.000 0.000 0.000 3/20160 430.0 0.941 3.482 1.568 0.000 0.000 0.000 3/20160 440.0 0.920 3.405 1.534 0.000 0.000 0.000 3/20160 450.0 0.900 3.331 1.501 0.000 0.000 0.000 3/20160 460.0 0.881 3.260 1.469 0.000 0.000 0.000 3/20160 470.0 0.863 3.193 1.438 0.000 0.000 0.000 3/20160 480.0 0.846 3.128 1.409 0.000 0.000 0.000 3/20160 490.0 0.829 3.065 1.381 0.000 0.000 0.000 3/20160 500.0 0.813 3.006 1.354 0.000 0.000 0.000 3/20160 510.0 0.797 2.948 1.328 0.000 0.000 0.000 3/20160 520.0 0.782 2.893 1.303 0.000 0.000 0.000 3/20160 530.0 0.768 2.839 1.279 0.000 0.000 0.000 3/20160 540.0 0.754 2.788 1.256 0.000 0.000 0.000 3/20160 550.0 0.740 2.738 1.234 0.000 0.000 0.000 3/20160 560.0 0.727 2.691 1.212 0.000 0.000 0.000 3/20160 570.0 0.715 2.644 1.191 0.000 0.000 0.000 3/20160 580.0 0.703 2.600 1.171 0.000 0.000 0.000 3/20160 590.0 0.691 2.557 1.152 0.000 0.000 0.000 3/20160 600.0 0.680 2.515 1.133 0.000 0.000 0.000 3/20160 610.0 0.669 2.475 1.115 0.000 0.000 0.000 3/20160 620.0 0.658 2.435 1.097 0.000 0.000 0.000 3/20160 630.0 0.648 2.398 1.080 0.000 0.000 0.000 3/20160 640.0 0.638 2.361 1.064 0.000 0.000 0.000 3/20160 650.0 0.628 2.325 1.048 0.000 0.000 0.000 3/20160 660.0 0.619 2.291 1.032 0.000 0.000 0.000 3/20160 670.0 0.610 2.257 1.017 0.000 0.000 0.000 3/20160 680.0 0.601 2.225 1.002 0.000 0.000 0.000 3/20160 690.0 0.593 2.193 0.988 0.000 0.000 0.000 3/20160 700.0 0.584 2.162 0.974 0.000 0.000 0.000 3/20160 710.0 0.576 2.132 0.961 0.000 0.000 0.000 3/20160 720.0 0.568 2.103 0.947 0.000 0.000 0.000 3/20160 730.0 0.561 2.075 0.935 0.000 0.000 0.000 3/20160 740.0 0.553 2.047 0.922 0.000 0.000 0.000 3/20160 750.0 0.546 2.021 0.910 0.000 0.000 0.000 3/20160 760.0 0.539 1.995 0.898 0.000 0.000 0.000 3/20160 770.0 0.532 1.969 0.887 0.000 0.000 0.000 3/20160 780.0 0.525 1.944 0.876 0.000 0.000 0.000 3/20160 790.0 0.519 1.920 0.865 0.000 0.000 0.000 3/20160 800.0 0.512 1.897 0.854 0.000 0.000 0.000 3/20160 810.0 0.506 1.873 0.844 0.000 0.000 0.000 3/20160 820.0 0.500 1.851 0.834 0.000 0.000 0.000 3/20160 830.0 0.494 1.829 0.824 0.000 0.000 0.000 3/20160 840.0 0.488 1.808 0.814 0.000 0.000 0.000 3/20160 850.0 0.482 1.787 0.805 0.000 0.000 0.000 3/20160 860.0 0.477 1.766 0.795 0.000 0.000 0.000 3/20160 870.0 0.472 1.746 0.786 0.000 0.000 0.000 3/20160 880.0 0.466 1.727 0.778 0.000 0.000 0.000 3/20160 890.0 0.461 1.708 0.769 0.000 0.000 0.000 3/20160 900.0 0.456 1.689 0.760 0.000 0.000 0.000 3/20160 910.0 0.451 1.671 0.752 0.000 0.000 0.000 3/20160 920.0 0.446 1.653 0.744 0.000 0.000 0.000 3/20160 930.0 0.441 1.635 0.736 0.000 0.000 0.000 3/20160 940.0 0.437 1.618 0.729 0.000 0.000 0.000 3/20160 950.0 0.432 1.601 0.721 0.000 0.000 0.000 3/20160 960.0 0.428 1.585 0.714 0.000 0.000 0.000 3/20160 970.0 0.423 1.569 0.706 0.000 0.000 0.000 3/20160 980.0 0.419 1.553 0.699 0.000 0.000 0.000 3/20160 990.0 0.415 1.538 0.692 0.000 0.000 0.000 3/20160 1000.0 0.411 1.522 0.685 0.000 0.000 0.000 3/20160 Thermal conductivity related properties were written into "kappa-m51412.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:07:45]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|