----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:36:34]------------------------- Compiled with OpenMP support (max 48 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3c (167) Number of symmetry operations in supercell: 144 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.740284398270464 1.582103934997581 4.602906246666662 b -2.740284398270458 1.582103934997581 4.602906246666662 c 0.000000000000002 -3.164207869995167 4.602906246666662 Atomic positions (fractional): *1 O 0.31825724473449 0.75000000000000 0.18174275526550 15.999 2 O 0.75000000000000 0.18174275526551 0.31825724473449 15.999 3 O 0.18174275526550 0.31825724473449 0.75000000000000 15.999 4 O 0.68174275526551 0.25000000000000 0.81825724473449 15.999 5 O 0.81825724473449 0.68174275526551 0.25000000000000 15.999 6 O 0.25000000000000 0.81825724473449 0.68174275526551 15.999 *7 Ag 0.25000000000000 0.25000000000000 0.25000000000000 107.868 8 Ag 0.75000000000000 0.75000000000000 0.75000000000000 107.868 *9 Ta 0.00000000000000 0.00000000000000 0.00000000000000 180.948 10 Ta 0.50000000000000 0.50000000000000 0.50000000000000 180.948 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.480568796540923 0.000000000000000 0.000000000000000 b -2.740284398270461 4.746311804992748 0.000000000000000 c 0.000000000000000 0.000000000000000 13.808718740000000 Atomic positions (fractional): *1 O 0.23492391140116 0.90159057806783 0.08333333333333 15.999 > 1 2 O 0.66666666666667 0.76507608859884 0.08333333333333 15.999 > 2 3 O 0.09840942193217 0.33333333333333 0.08333333333333 15.999 > 3 4 O 0.43174275526551 0.43174275526551 0.25000000000000 15.999 > 4 5 O 0.56825724473449 0.00000000000000 0.25000000000000 15.999 > 5 6 O 0.00000000000000 0.56825724473449 0.25000000000000 15.999 > 6 7 O 0.90159057806783 0.23492391140116 0.41666666666667 15.999 > 1 8 O 0.33333333333333 0.09840942193217 0.41666666666667 15.999 > 2 9 O 0.76507608859884 0.66666666666667 0.41666666666667 15.999 > 3 10 O 0.09840942193217 0.76507608859884 0.58333333333333 15.999 > 4 11 O 0.23492391140116 0.33333333333333 0.58333333333333 15.999 > 5 12 O 0.66666666666667 0.90159057806783 0.58333333333333 15.999 > 6 13 O 0.56825724473449 0.56825724473449 0.75000000000000 15.999 > 1 14 O 0.00000000000000 0.43174275526551 0.75000000000000 15.999 > 2 15 O 0.43174275526551 0.00000000000000 0.75000000000000 15.999 > 3 16 O 0.76507608859884 0.09840942193217 0.91666666666667 15.999 > 4 17 O 0.90159057806783 0.66666666666667 0.91666666666667 15.999 > 5 18 O 0.33333333333333 0.23492391140116 0.91666666666667 15.999 > 6 *19 Ag 0.00000000000000 0.00000000000000 0.25000000000000 107.868 > 7 20 Ag 0.66666666666667 0.33333333333333 0.08333333333333 107.868 > 8 21 Ag 0.66666666666667 0.33333333333333 0.58333333333333 107.868 > 7 22 Ag 0.33333333333333 0.66666666666667 0.41666666666667 107.868 > 8 23 Ag 0.33333333333333 0.66666666666667 0.91666666666667 107.868 > 7 24 Ag 0.00000000000000 0.00000000000000 0.75000000000000 107.868 > 8 *25 Ta 0.00000000000000 0.00000000000000 0.00000000000000 180.948 > 9 26 Ta 0.33333333333333 0.66666666666667 0.16666666666667 180.948 > 10 27 Ta 0.66666666666667 0.33333333333333 0.33333333333333 180.948 > 9 28 Ta 0.00000000000000 0.00000000000000 0.50000000000000 180.948 > 10 29 Ta 0.33333333333333 0.66666666666667 0.66666666666667 180.948 > 9 30 Ta 0.66666666666667 0.33333333333333 0.83333333333333 180.948 > 10 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.961137593081846 0.000000000000000 0.000000000000000 b -5.480568796540922 9.492623609985497 0.000000000000000 c 0.000000000000000 0.000000000000000 13.808718740000000 Atomic positions (fractional): *1 O 0.11746195570058 0.45079528903391 0.08333333333333 15.999 > 1 2 O 0.61746195570058 0.45079528903391 0.08333333333333 15.999 > 1 3 O 0.11746195570058 0.95079528903391 0.08333333333333 15.999 > 1 4 O 0.61746195570058 0.95079528903391 0.08333333333333 15.999 > 1 5 O 0.33333333333333 0.38253804429942 0.08333333333333 15.999 > 2 6 O 0.83333333333333 0.38253804429942 0.08333333333333 15.999 > 2 7 O 0.33333333333333 0.88253804429942 0.08333333333333 15.999 > 2 8 O 0.83333333333333 0.88253804429942 0.08333333333333 15.999 > 2 9 O 0.04920471096609 0.16666666666667 0.08333333333333 15.999 > 3 10 O 0.54920471096609 0.16666666666667 0.08333333333333 15.999 > 3 11 O 0.04920471096609 0.66666666666667 0.08333333333333 15.999 > 3 12 O 0.54920471096609 0.66666666666667 0.08333333333333 15.999 > 3 13 O 0.21587137763275 0.21587137763275 0.25000000000000 15.999 > 4 14 O 0.71587137763275 0.21587137763275 0.25000000000000 15.999 > 4 15 O 0.21587137763275 0.71587137763275 0.25000000000000 15.999 > 4 16 O 0.71587137763275 0.71587137763275 0.25000000000000 15.999 > 4 17 O 0.28412862236725 0.00000000000000 0.25000000000000 15.999 > 5 18 O 0.78412862236725 0.00000000000000 0.25000000000000 15.999 > 5 19 O 0.28412862236725 0.50000000000000 0.25000000000000 15.999 > 5 20 O 0.78412862236725 0.50000000000000 0.25000000000000 15.999 > 5 21 O 0.00000000000000 0.28412862236725 0.25000000000000 15.999 > 6 22 O 0.50000000000000 0.28412862236725 0.25000000000000 15.999 > 6 23 O 0.00000000000000 0.78412862236725 0.25000000000000 15.999 > 6 24 O 0.50000000000000 0.78412862236725 0.25000000000000 15.999 > 6 25 O 0.45079528903391 0.11746195570058 0.41666666666667 15.999 > 1 26 O 0.95079528903391 0.11746195570058 0.41666666666667 15.999 > 1 27 O 0.45079528903391 0.61746195570058 0.41666666666667 15.999 > 1 28 O 0.95079528903391 0.61746195570058 0.41666666666667 15.999 > 1 29 O 0.16666666666667 0.04920471096609 0.41666666666667 15.999 > 2 30 O 0.66666666666667 0.04920471096609 0.41666666666667 15.999 > 2 31 O 0.16666666666667 0.54920471096609 0.41666666666667 15.999 > 2 32 O 0.66666666666667 0.54920471096609 0.41666666666667 15.999 > 2 33 O 0.38253804429942 0.33333333333333 0.41666666666667 15.999 > 3 34 O 0.88253804429942 0.33333333333333 0.41666666666667 15.999 > 3 35 O 0.38253804429942 0.83333333333333 0.41666666666667 15.999 > 3 36 O 0.88253804429942 0.83333333333333 0.41666666666667 15.999 > 3 37 O 0.04920471096609 0.38253804429942 0.58333333333333 15.999 > 4 38 O 0.54920471096609 0.38253804429942 0.58333333333333 15.999 > 4 39 O 0.04920471096609 0.88253804429942 0.58333333333333 15.999 > 4 40 O 0.54920471096609 0.88253804429942 0.58333333333333 15.999 > 4 41 O 0.11746195570058 0.16666666666667 0.58333333333333 15.999 > 5 42 O 0.61746195570058 0.16666666666667 0.58333333333333 15.999 > 5 43 O 0.11746195570058 0.66666666666667 0.58333333333333 15.999 > 5 44 O 0.61746195570058 0.66666666666667 0.58333333333333 15.999 > 5 45 O 0.33333333333333 0.45079528903391 0.58333333333333 15.999 > 6 46 O 0.83333333333333 0.45079528903391 0.58333333333333 15.999 > 6 47 O 0.33333333333333 0.95079528903391 0.58333333333333 15.999 > 6 48 O 0.83333333333333 0.95079528903391 0.58333333333333 15.999 > 6 49 O 0.28412862236725 0.28412862236725 0.75000000000000 15.999 > 1 50 O 0.78412862236725 0.28412862236725 0.75000000000000 15.999 > 1 51 O 0.28412862236725 0.78412862236725 0.75000000000000 15.999 > 1 52 O 0.78412862236725 0.78412862236725 0.75000000000000 15.999 > 1 53 O 0.00000000000000 0.21587137763275 0.75000000000000 15.999 > 2 54 O 0.50000000000000 0.21587137763275 0.75000000000000 15.999 > 2 55 O 0.00000000000000 0.71587137763275 0.75000000000000 15.999 > 2 56 O 0.50000000000000 0.71587137763275 0.75000000000000 15.999 > 2 57 O 0.21587137763275 0.00000000000000 0.75000000000000 15.999 > 3 58 O 0.71587137763275 0.00000000000000 0.75000000000000 15.999 > 3 59 O 0.21587137763275 0.50000000000000 0.75000000000000 15.999 > 3 60 O 0.71587137763275 0.50000000000000 0.75000000000000 15.999 > 3 61 O 0.38253804429942 0.04920471096609 0.91666666666667 15.999 > 4 62 O 0.88253804429942 0.04920471096609 0.91666666666667 15.999 > 4 63 O 0.38253804429942 0.54920471096609 0.91666666666667 15.999 > 4 64 O 0.88253804429942 0.54920471096609 0.91666666666667 15.999 > 4 65 O 0.45079528903391 0.33333333333333 0.91666666666667 15.999 > 5 66 O 0.95079528903391 0.33333333333333 0.91666666666667 15.999 > 5 67 O 0.45079528903391 0.83333333333333 0.91666666666667 15.999 > 5 68 O 0.95079528903391 0.83333333333333 0.91666666666667 15.999 > 5 69 O 0.16666666666667 0.11746195570058 0.91666666666667 15.999 > 6 70 O 0.66666666666667 0.11746195570058 0.91666666666667 15.999 > 6 71 O 0.16666666666667 0.61746195570058 0.91666666666667 15.999 > 6 72 O 0.66666666666667 0.61746195570058 0.91666666666667 15.999 > 6 *73 Ag 0.00000000000000 0.00000000000000 0.25000000000000 107.868 > 7 74 Ag 0.50000000000000 0.00000000000000 0.25000000000000 107.868 > 7 75 Ag 0.00000000000000 0.50000000000000 0.25000000000000 107.868 > 7 76 Ag 0.50000000000000 0.50000000000000 0.25000000000000 107.868 > 7 77 Ag 0.33333333333333 0.16666666666667 0.08333333333333 107.868 > 8 78 Ag 0.83333333333333 0.16666666666667 0.08333333333333 107.868 > 8 79 Ag 0.33333333333333 0.66666666666667 0.08333333333333 107.868 > 8 80 Ag 0.83333333333333 0.66666666666667 0.08333333333333 107.868 > 8 81 Ag 0.33333333333333 0.16666666666667 0.58333333333333 107.868 > 7 82 Ag 0.83333333333333 0.16666666666667 0.58333333333333 107.868 > 7 83 Ag 0.33333333333333 0.66666666666667 0.58333333333333 107.868 > 7 84 Ag 0.83333333333333 0.66666666666667 0.58333333333333 107.868 > 7 85 Ag 0.16666666666667 0.33333333333333 0.41666666666667 107.868 > 8 86 Ag 0.66666666666667 0.33333333333333 0.41666666666667 107.868 > 8 87 Ag 0.16666666666667 0.83333333333333 0.41666666666667 107.868 > 8 88 Ag 0.66666666666667 0.83333333333333 0.41666666666667 107.868 > 8 89 Ag 0.16666666666667 0.33333333333333 0.91666666666667 107.868 > 7 90 Ag 0.66666666666667 0.33333333333333 0.91666666666667 107.868 > 7 91 Ag 0.16666666666667 0.83333333333333 0.91666666666667 107.868 > 7 92 Ag 0.66666666666667 0.83333333333333 0.91666666666667 107.868 > 7 93 Ag 0.00000000000000 0.00000000000000 0.75000000000000 107.868 > 8 94 Ag 0.50000000000000 0.00000000000000 0.75000000000000 107.868 > 8 95 Ag 0.00000000000000 0.50000000000000 0.75000000000000 107.868 > 8 96 Ag 0.50000000000000 0.50000000000000 0.75000000000000 107.868 > 8 *97 Ta 0.00000000000000 0.00000000000000 0.00000000000000 180.948 > 9 98 Ta 0.50000000000000 0.00000000000000 0.00000000000000 180.948 > 9 99 Ta 0.00000000000000 0.50000000000000 0.00000000000000 180.948 > 9 100 Ta 0.50000000000000 0.50000000000000 0.00000000000000 180.948 > 9 101 Ta 0.16666666666667 0.33333333333333 0.16666666666667 180.948 > 10 102 Ta 0.66666666666667 0.33333333333333 0.16666666666667 180.948 > 10 103 Ta 0.16666666666667 0.83333333333333 0.16666666666667 180.948 > 10 104 Ta 0.66666666666667 0.83333333333333 0.16666666666667 180.948 > 10 105 Ta 0.33333333333333 0.16666666666667 0.33333333333333 180.948 > 9 106 Ta 0.83333333333333 0.16666666666667 0.33333333333333 180.948 > 9 107 Ta 0.33333333333333 0.66666666666667 0.33333333333333 180.948 > 9 108 Ta 0.83333333333333 0.66666666666667 0.33333333333333 180.948 > 9 109 Ta 0.00000000000000 0.00000000000000 0.50000000000000 180.948 > 10 110 Ta 0.50000000000000 0.00000000000000 0.50000000000000 180.948 > 10 111 Ta 0.00000000000000 0.50000000000000 0.50000000000000 180.948 > 10 112 Ta 0.50000000000000 0.50000000000000 0.50000000000000 180.948 > 10 113 Ta 0.16666666666667 0.33333333333333 0.66666666666667 180.948 > 9 114 Ta 0.66666666666667 0.33333333333333 0.66666666666667 180.948 > 9 115 Ta 0.16666666666667 0.83333333333333 0.66666666666667 180.948 > 9 116 Ta 0.66666666666667 0.83333333333333 0.66666666666667 180.948 > 9 117 Ta 0.33333333333333 0.16666666666667 0.83333333333333 180.948 > 10 118 Ta 0.83333333333333 0.16666666666667 0.83333333333333 180.948 > 10 119 Ta 0.33333333333333 0.66666666666667 0.83333333333333 180.948 > 10 120 Ta 0.83333333333333 0.66666666666667 0.83333333333333 180.948 > 10 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.0787693 -0.0000000 0.0000000 -0.0000000 7.0787693 0.0000000 0.0000000 0.0000000 6.9997885 -------------------------- Born effective charges -------------------------- 1 O -4.1191987 1.2541631 -1.9363813 1.2541631 -2.6710159 1.1179703 -2.0039829 1.1570000 -3.4593383 2 O -4.1191987 -1.2541631 1.9363813 -1.2541631 -2.6710159 1.1179703 2.0039829 1.1570000 -3.4593383 3 O -1.9469244 0.0000000 0.0000000 0.0000000 -4.8432901 -2.2359406 0.0000000 -2.3140001 -3.4593383 4 O -4.1191987 1.2541631 -1.9363813 1.2541631 -2.6710159 1.1179703 -2.0039829 1.1570000 -3.4593383 5 O -1.9469244 0.0000000 0.0000000 0.0000000 -4.8432901 -2.2359406 0.0000000 -2.3140001 -3.4593383 6 O -4.1191987 -1.2541631 1.9363813 -1.2541631 -2.6710159 1.1179703 2.0039829 1.1570000 -3.4593383 7 Ag 1.4055446 0.0000000 0.0000000 0.0000000 1.4055446 -0.0000000 0.0000000 0.0000000 1.3598452 8 Ag 1.4055446 0.0000000 0.0000000 0.0000000 1.4055446 -0.0000000 0.0000000 0.0000000 1.3598452 9 Ta 8.7797773 0.8074832 0.0000000 -0.8074832 8.7797772 -0.0000000 0.0000000 0.0000000 9.0181698 10 Ta 8.7797772 -0.8074832 0.0000000 0.8074832 8.7797773 -0.0000000 0.0000000 0.0000000 9.0181698 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 360/360 Permutation basis: 7104/7104 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 510 Number of blocks in projector: 272 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 239 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 194 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 77 Use standard eigh solver. Tree of FC basis block matrices: - (510, 500), data: False |-- (77, 74), data: True |-- (194, 192), data: True |-- (239, 234), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.009 Solver_block: 100 / 160 - Time: 0.321 Solver_block: 160 / 160 - Time: 0.211 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.544 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 360/360 Permutation basis: 7104/7104 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 510 Number of blocks in projector: 272 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 239 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 194 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 77 Use standard eigh solver. Tree of FC basis block matrices: - (510, 500), data: False |-- (77, 74), data: True |-- (194, 192), data: True |-- (239, 234), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 23:36:40]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:36:41]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3c (167) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.740284398270464 1.582103934997581 4.602906246666662 b -2.740284398270458 1.582103934997581 4.602906246666662 c 0.000000000000002 -3.164207869995167 4.602906246666662 Atomic positions (fractional): 1 O 0.31825724473449 0.75000000000000 0.18174275526550 15.999 2 O 0.75000000000000 0.18174275526551 0.31825724473449 15.999 3 O 0.18174275526550 0.31825724473449 0.75000000000000 15.999 4 O 0.68174275526551 0.25000000000000 0.81825724473449 15.999 5 O 0.81825724473449 0.68174275526551 0.25000000000000 15.999 6 O 0.25000000000000 0.81825724473449 0.68174275526551 15.999 7 Ag 0.25000000000000 0.25000000000000 0.25000000000000 107.868 8 Ag 0.75000000000000 0.75000000000000 0.75000000000000 107.868 9 Ta 0.00000000000000 0.00000000000000 0.00000000000000 180.948 10 Ta 0.50000000000000 0.50000000000000 0.50000000000000 180.948 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.961137593081846 0.000000000000000 0.000000000000000 b -5.480568796540922 9.492623609985497 0.000000000000000 c 0.000000000000000 0.000000000000000 13.808718740000000 Atomic positions (fractional): 1 O 0.11746195570058 0.45079528903391 0.08333333333333 15.999 > 1 2 O 0.61746195570058 0.45079528903391 0.08333333333333 15.999 > 1 3 O 0.11746195570058 0.95079528903391 0.08333333333333 15.999 > 1 4 O 0.61746195570058 0.95079528903391 0.08333333333333 15.999 > 1 5 O 0.33333333333333 0.38253804429942 0.08333333333333 15.999 > 5 6 O 0.83333333333333 0.38253804429942 0.08333333333333 15.999 > 5 7 O 0.33333333333333 0.88253804429942 0.08333333333333 15.999 > 5 8 O 0.83333333333333 0.88253804429942 0.08333333333333 15.999 > 5 9 O 0.04920471096609 0.16666666666667 0.08333333333333 15.999 > 9 10 O 0.54920471096609 0.16666666666667 0.08333333333333 15.999 > 9 11 O 0.04920471096609 0.66666666666667 0.08333333333333 15.999 > 9 12 O 0.54920471096609 0.66666666666667 0.08333333333333 15.999 > 9 13 O 0.21587137763275 0.21587137763275 0.25000000000000 15.999 > 13 14 O 0.71587137763275 0.21587137763275 0.25000000000000 15.999 > 13 15 O 0.21587137763275 0.71587137763275 0.25000000000000 15.999 > 13 16 O 0.71587137763275 0.71587137763275 0.25000000000000 15.999 > 13 17 O 0.28412862236725 0.00000000000000 0.25000000000000 15.999 > 17 18 O 0.78412862236725 0.00000000000000 0.25000000000000 15.999 > 17 19 O 0.28412862236725 0.50000000000000 0.25000000000000 15.999 > 17 20 O 0.78412862236725 0.50000000000000 0.25000000000000 15.999 > 17 21 O 0.00000000000000 0.28412862236725 0.25000000000000 15.999 > 21 22 O 0.50000000000000 0.28412862236725 0.25000000000000 15.999 > 21 23 O 0.00000000000000 0.78412862236725 0.25000000000000 15.999 > 21 24 O 0.50000000000000 0.78412862236725 0.25000000000000 15.999 > 21 25 O 0.45079528903391 0.11746195570058 0.41666666666667 15.999 > 1 26 O 0.95079528903391 0.11746195570058 0.41666666666667 15.999 > 1 27 O 0.45079528903391 0.61746195570058 0.41666666666667 15.999 > 1 28 O 0.95079528903391 0.61746195570058 0.41666666666667 15.999 > 1 29 O 0.16666666666667 0.04920471096609 0.41666666666667 15.999 > 5 30 O 0.66666666666667 0.04920471096609 0.41666666666667 15.999 > 5 31 O 0.16666666666667 0.54920471096609 0.41666666666667 15.999 > 5 32 O 0.66666666666667 0.54920471096609 0.41666666666667 15.999 > 5 33 O 0.38253804429942 0.33333333333333 0.41666666666667 15.999 > 9 34 O 0.88253804429942 0.33333333333333 0.41666666666667 15.999 > 9 35 O 0.38253804429942 0.83333333333333 0.41666666666667 15.999 > 9 36 O 0.88253804429942 0.83333333333333 0.41666666666667 15.999 > 9 37 O 0.04920471096609 0.38253804429942 0.58333333333333 15.999 > 13 38 O 0.54920471096609 0.38253804429942 0.58333333333333 15.999 > 13 39 O 0.04920471096609 0.88253804429942 0.58333333333333 15.999 > 13 40 O 0.54920471096609 0.88253804429942 0.58333333333333 15.999 > 13 41 O 0.11746195570058 0.16666666666667 0.58333333333333 15.999 > 17 42 O 0.61746195570058 0.16666666666667 0.58333333333333 15.999 > 17 43 O 0.11746195570058 0.66666666666667 0.58333333333333 15.999 > 17 44 O 0.61746195570058 0.66666666666667 0.58333333333333 15.999 > 17 45 O 0.33333333333333 0.45079528903391 0.58333333333333 15.999 > 21 46 O 0.83333333333333 0.45079528903391 0.58333333333333 15.999 > 21 47 O 0.33333333333333 0.95079528903391 0.58333333333333 15.999 > 21 48 O 0.83333333333333 0.95079528903391 0.58333333333333 15.999 > 21 49 O 0.28412862236725 0.28412862236725 0.75000000000000 15.999 > 1 50 O 0.78412862236725 0.28412862236725 0.75000000000000 15.999 > 1 51 O 0.28412862236725 0.78412862236725 0.75000000000000 15.999 > 1 52 O 0.78412862236725 0.78412862236725 0.75000000000000 15.999 > 1 53 O 0.00000000000000 0.21587137763275 0.75000000000000 15.999 > 5 54 O 0.50000000000000 0.21587137763275 0.75000000000000 15.999 > 5 55 O 0.00000000000000 0.71587137763275 0.75000000000000 15.999 > 5 56 O 0.50000000000000 0.71587137763275 0.75000000000000 15.999 > 5 57 O 0.21587137763275 0.00000000000000 0.75000000000000 15.999 > 9 58 O 0.71587137763275 0.00000000000000 0.75000000000000 15.999 > 9 59 O 0.21587137763275 0.50000000000000 0.75000000000000 15.999 > 9 60 O 0.71587137763275 0.50000000000000 0.75000000000000 15.999 > 9 61 O 0.38253804429942 0.04920471096609 0.91666666666667 15.999 > 13 62 O 0.88253804429942 0.04920471096609 0.91666666666667 15.999 > 13 63 O 0.38253804429942 0.54920471096609 0.91666666666667 15.999 > 13 64 O 0.88253804429942 0.54920471096609 0.91666666666667 15.999 > 13 65 O 0.45079528903391 0.33333333333333 0.91666666666667 15.999 > 17 66 O 0.95079528903391 0.33333333333333 0.91666666666667 15.999 > 17 67 O 0.45079528903391 0.83333333333333 0.91666666666667 15.999 > 17 68 O 0.95079528903391 0.83333333333333 0.91666666666667 15.999 > 17 69 O 0.16666666666667 0.11746195570058 0.91666666666667 15.999 > 21 70 O 0.66666666666667 0.11746195570058 0.91666666666667 15.999 > 21 71 O 0.16666666666667 0.61746195570058 0.91666666666667 15.999 > 21 72 O 0.66666666666667 0.61746195570058 0.91666666666667 15.999 > 21 73 Ag 0.00000000000000 0.00000000000000 0.25000000000000 107.868 > 73 74 Ag 0.50000000000000 0.00000000000000 0.25000000000000 107.868 > 73 75 Ag 0.00000000000000 0.50000000000000 0.25000000000000 107.868 > 73 76 Ag 0.50000000000000 0.50000000000000 0.25000000000000 107.868 > 73 77 Ag 0.33333333333333 0.16666666666667 0.08333333333333 107.868 > 77 78 Ag 0.83333333333333 0.16666666666667 0.08333333333333 107.868 > 77 79 Ag 0.33333333333333 0.66666666666667 0.08333333333333 107.868 > 77 80 Ag 0.83333333333333 0.66666666666667 0.08333333333333 107.868 > 77 81 Ag 0.33333333333333 0.16666666666667 0.58333333333333 107.868 > 73 82 Ag 0.83333333333333 0.16666666666667 0.58333333333333 107.868 > 73 83 Ag 0.33333333333333 0.66666666666667 0.58333333333333 107.868 > 73 84 Ag 0.83333333333333 0.66666666666667 0.58333333333333 107.868 > 73 85 Ag 0.16666666666667 0.33333333333333 0.41666666666667 107.868 > 77 86 Ag 0.66666666666667 0.33333333333333 0.41666666666667 107.868 > 77 87 Ag 0.16666666666667 0.83333333333333 0.41666666666667 107.868 > 77 88 Ag 0.66666666666667 0.83333333333333 0.41666666666667 107.868 > 77 89 Ag 0.16666666666667 0.33333333333333 0.91666666666667 107.868 > 73 90 Ag 0.66666666666667 0.33333333333333 0.91666666666667 107.868 > 73 91 Ag 0.16666666666667 0.83333333333333 0.91666666666667 107.868 > 73 92 Ag 0.66666666666667 0.83333333333333 0.91666666666667 107.868 > 73 93 Ag 0.00000000000000 0.00000000000000 0.75000000000000 107.868 > 77 94 Ag 0.50000000000000 0.00000000000000 0.75000000000000 107.868 > 77 95 Ag 0.00000000000000 0.50000000000000 0.75000000000000 107.868 > 77 96 Ag 0.50000000000000 0.50000000000000 0.75000000000000 107.868 > 77 97 Ta 0.00000000000000 0.00000000000000 0.00000000000000 180.948 > 97 98 Ta 0.50000000000000 0.00000000000000 0.00000000000000 180.948 > 97 99 Ta 0.00000000000000 0.50000000000000 0.00000000000000 180.948 > 97 100 Ta 0.50000000000000 0.50000000000000 0.00000000000000 180.948 > 97 101 Ta 0.16666666666667 0.33333333333333 0.16666666666667 180.948 > 101 102 Ta 0.66666666666667 0.33333333333333 0.16666666666667 180.948 > 101 103 Ta 0.16666666666667 0.83333333333333 0.16666666666667 180.948 > 101 104 Ta 0.66666666666667 0.83333333333333 0.16666666666667 180.948 > 101 105 Ta 0.33333333333333 0.16666666666667 0.33333333333333 180.948 > 97 106 Ta 0.83333333333333 0.16666666666667 0.33333333333333 180.948 > 97 107 Ta 0.33333333333333 0.66666666666667 0.33333333333333 180.948 > 97 108 Ta 0.83333333333333 0.66666666666667 0.33333333333333 180.948 > 97 109 Ta 0.00000000000000 0.00000000000000 0.50000000000000 180.948 > 101 110 Ta 0.50000000000000 0.00000000000000 0.50000000000000 180.948 > 101 111 Ta 0.00000000000000 0.50000000000000 0.50000000000000 180.948 > 101 112 Ta 0.50000000000000 0.50000000000000 0.50000000000000 180.948 > 101 113 Ta 0.16666666666667 0.33333333333333 0.66666666666667 180.948 > 97 114 Ta 0.66666666666667 0.33333333333333 0.66666666666667 180.948 > 97 115 Ta 0.16666666666667 0.83333333333333 0.66666666666667 180.948 > 97 116 Ta 0.66666666666667 0.83333333333333 0.66666666666667 180.948 > 97 117 Ta 0.33333333333333 0.16666666666667 0.83333333333333 180.948 > 101 118 Ta 0.83333333333333 0.16666666666667 0.83333333333333 180.948 > 101 119 Ta 0.33333333333333 0.66666666666667 0.83333333333333 180.948 > 101 120 Ta 0.83333333333333 0.66666666666667 0.83333333333333 180.948 > 101 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.0787693 -0.0000000 0.0000000 -0.0000000 7.0787693 0.0000000 0.0000000 0.0000000 6.9997885 -------------------------- Born effective charges -------------------------- 1 O -4.1191987 1.2541631 -1.9363813 1.2541631 -2.6710159 1.1179703 -2.0039829 1.1570000 -3.4593383 2 O -4.1191987 -1.2541631 1.9363813 -1.2541631 -2.6710159 1.1179703 2.0039829 1.1570000 -3.4593383 3 O -1.9469244 0.0000000 0.0000000 0.0000000 -4.8432901 -2.2359406 0.0000000 -2.3140001 -3.4593383 4 O -4.1191987 1.2541631 -1.9363813 1.2541631 -2.6710159 1.1179703 -2.0039829 1.1570000 -3.4593383 5 O -1.9469244 0.0000000 0.0000000 0.0000000 -4.8432901 -2.2359406 0.0000000 -2.3140001 -3.4593383 6 O -4.1191987 -1.2541631 1.9363813 -1.2541631 -2.6710159 1.1179703 2.0039829 1.1570000 -3.4593383 7 Ag 1.4055446 0.0000000 0.0000000 0.0000000 1.4055446 -0.0000000 0.0000000 0.0000000 1.3598452 8 Ag 1.4055446 0.0000000 0.0000000 0.0000000 1.4055446 -0.0000000 0.0000000 0.0000000 1.3598452 9 Ta 8.7797773 0.8074832 0.0000000 -0.8074832 8.7797772 -0.0000000 0.0000000 0.0000000 9.0181698 10 Ta 8.7797772 -0.8074832 0.0000000 0.8074832 8.7797773 -0.0000000 0.0000000 0.0000000 9.0181698 ---------------------------------------------------------------------------- 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 0.0000 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 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 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: -0.00000001 (yzy) -0.00000001 (yzy) -0.00000001 (yyz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000003 (xy) 0.00000003 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:36:47]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:36:48]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3c (167) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.740284398270464 1.582103934997581 4.602906246666662 b -2.740284398270458 1.582103934997581 4.602906246666662 c 0.000000000000002 -3.164207869995167 4.602906246666662 Atomic positions (fractional): 1 O 0.31825724473449 0.75000000000000 0.18174275526550 15.999 2 O 0.75000000000000 0.18174275526551 0.31825724473449 15.999 3 O 0.18174275526550 0.31825724473449 0.75000000000000 15.999 4 O 0.68174275526551 0.25000000000000 0.81825724473449 15.999 5 O 0.81825724473449 0.68174275526551 0.25000000000000 15.999 6 O 0.25000000000000 0.81825724473449 0.68174275526551 15.999 7 Ag 0.25000000000000 0.25000000000000 0.25000000000000 107.868 8 Ag 0.75000000000000 0.75000000000000 0.75000000000000 107.868 9 Ta 0.00000000000000 0.00000000000000 0.00000000000000 180.948 10 Ta 0.50000000000000 0.50000000000000 0.50000000000000 180.948 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.961137593081846 0.000000000000000 0.000000000000000 b -5.480568796540922 9.492623609985497 0.000000000000000 c 0.000000000000000 0.000000000000000 13.808718740000000 Atomic positions (fractional): 1 O 0.11746195570058 0.45079528903391 0.08333333333333 15.999 > 1 2 O 0.61746195570058 0.45079528903391 0.08333333333333 15.999 > 1 3 O 0.11746195570058 0.95079528903391 0.08333333333333 15.999 > 1 4 O 0.61746195570058 0.95079528903391 0.08333333333333 15.999 > 1 5 O 0.33333333333333 0.38253804429942 0.08333333333333 15.999 > 5 6 O 0.83333333333333 0.38253804429942 0.08333333333333 15.999 > 5 7 O 0.33333333333333 0.88253804429942 0.08333333333333 15.999 > 5 8 O 0.83333333333333 0.88253804429942 0.08333333333333 15.999 > 5 9 O 0.04920471096609 0.16666666666667 0.08333333333333 15.999 > 9 10 O 0.54920471096609 0.16666666666667 0.08333333333333 15.999 > 9 11 O 0.04920471096609 0.66666666666667 0.08333333333333 15.999 > 9 12 O 0.54920471096609 0.66666666666667 0.08333333333333 15.999 > 9 13 O 0.21587137763275 0.21587137763275 0.25000000000000 15.999 > 13 14 O 0.71587137763275 0.21587137763275 0.25000000000000 15.999 > 13 15 O 0.21587137763275 0.71587137763275 0.25000000000000 15.999 > 13 16 O 0.71587137763275 0.71587137763275 0.25000000000000 15.999 > 13 17 O 0.28412862236725 0.00000000000000 0.25000000000000 15.999 > 17 18 O 0.78412862236725 0.00000000000000 0.25000000000000 15.999 > 17 19 O 0.28412862236725 0.50000000000000 0.25000000000000 15.999 > 17 20 O 0.78412862236725 0.50000000000000 0.25000000000000 15.999 > 17 21 O 0.00000000000000 0.28412862236725 0.25000000000000 15.999 > 21 22 O 0.50000000000000 0.28412862236725 0.25000000000000 15.999 > 21 23 O 0.00000000000000 0.78412862236725 0.25000000000000 15.999 > 21 24 O 0.50000000000000 0.78412862236725 0.25000000000000 15.999 > 21 25 O 0.45079528903391 0.11746195570058 0.41666666666667 15.999 > 1 26 O 0.95079528903391 0.11746195570058 0.41666666666667 15.999 > 1 27 O 0.45079528903391 0.61746195570058 0.41666666666667 15.999 > 1 28 O 0.95079528903391 0.61746195570058 0.41666666666667 15.999 > 1 29 O 0.16666666666667 0.04920471096609 0.41666666666667 15.999 > 5 30 O 0.66666666666667 0.04920471096609 0.41666666666667 15.999 > 5 31 O 0.16666666666667 0.54920471096609 0.41666666666667 15.999 > 5 32 O 0.66666666666667 0.54920471096609 0.41666666666667 15.999 > 5 33 O 0.38253804429942 0.33333333333333 0.41666666666667 15.999 > 9 34 O 0.88253804429942 0.33333333333333 0.41666666666667 15.999 > 9 35 O 0.38253804429942 0.83333333333333 0.41666666666667 15.999 > 9 36 O 0.88253804429942 0.83333333333333 0.41666666666667 15.999 > 9 37 O 0.04920471096609 0.38253804429942 0.58333333333333 15.999 > 13 38 O 0.54920471096609 0.38253804429942 0.58333333333333 15.999 > 13 39 O 0.04920471096609 0.88253804429942 0.58333333333333 15.999 > 13 40 O 0.54920471096609 0.88253804429942 0.58333333333333 15.999 > 13 41 O 0.11746195570058 0.16666666666667 0.58333333333333 15.999 > 17 42 O 0.61746195570058 0.16666666666667 0.58333333333333 15.999 > 17 43 O 0.11746195570058 0.66666666666667 0.58333333333333 15.999 > 17 44 O 0.61746195570058 0.66666666666667 0.58333333333333 15.999 > 17 45 O 0.33333333333333 0.45079528903391 0.58333333333333 15.999 > 21 46 O 0.83333333333333 0.45079528903391 0.58333333333333 15.999 > 21 47 O 0.33333333333333 0.95079528903391 0.58333333333333 15.999 > 21 48 O 0.83333333333333 0.95079528903391 0.58333333333333 15.999 > 21 49 O 0.28412862236725 0.28412862236725 0.75000000000000 15.999 > 1 50 O 0.78412862236725 0.28412862236725 0.75000000000000 15.999 > 1 51 O 0.28412862236725 0.78412862236725 0.75000000000000 15.999 > 1 52 O 0.78412862236725 0.78412862236725 0.75000000000000 15.999 > 1 53 O 0.00000000000000 0.21587137763275 0.75000000000000 15.999 > 5 54 O 0.50000000000000 0.21587137763275 0.75000000000000 15.999 > 5 55 O 0.00000000000000 0.71587137763275 0.75000000000000 15.999 > 5 56 O 0.50000000000000 0.71587137763275 0.75000000000000 15.999 > 5 57 O 0.21587137763275 0.00000000000000 0.75000000000000 15.999 > 9 58 O 0.71587137763275 0.00000000000000 0.75000000000000 15.999 > 9 59 O 0.21587137763275 0.50000000000000 0.75000000000000 15.999 > 9 60 O 0.71587137763275 0.50000000000000 0.75000000000000 15.999 > 9 61 O 0.38253804429942 0.04920471096609 0.91666666666667 15.999 > 13 62 O 0.88253804429942 0.04920471096609 0.91666666666667 15.999 > 13 63 O 0.38253804429942 0.54920471096609 0.91666666666667 15.999 > 13 64 O 0.88253804429942 0.54920471096609 0.91666666666667 15.999 > 13 65 O 0.45079528903391 0.33333333333333 0.91666666666667 15.999 > 17 66 O 0.95079528903391 0.33333333333333 0.91666666666667 15.999 > 17 67 O 0.45079528903391 0.83333333333333 0.91666666666667 15.999 > 17 68 O 0.95079528903391 0.83333333333333 0.91666666666667 15.999 > 17 69 O 0.16666666666667 0.11746195570058 0.91666666666667 15.999 > 21 70 O 0.66666666666667 0.11746195570058 0.91666666666667 15.999 > 21 71 O 0.16666666666667 0.61746195570058 0.91666666666667 15.999 > 21 72 O 0.66666666666667 0.61746195570058 0.91666666666667 15.999 > 21 73 Ag 0.00000000000000 0.00000000000000 0.25000000000000 107.868 > 73 74 Ag 0.50000000000000 0.00000000000000 0.25000000000000 107.868 > 73 75 Ag 0.00000000000000 0.50000000000000 0.25000000000000 107.868 > 73 76 Ag 0.50000000000000 0.50000000000000 0.25000000000000 107.868 > 73 77 Ag 0.33333333333333 0.16666666666667 0.08333333333333 107.868 > 77 78 Ag 0.83333333333333 0.16666666666667 0.08333333333333 107.868 > 77 79 Ag 0.33333333333333 0.66666666666667 0.08333333333333 107.868 > 77 80 Ag 0.83333333333333 0.66666666666667 0.08333333333333 107.868 > 77 81 Ag 0.33333333333333 0.16666666666667 0.58333333333333 107.868 > 73 82 Ag 0.83333333333333 0.16666666666667 0.58333333333333 107.868 > 73 83 Ag 0.33333333333333 0.66666666666667 0.58333333333333 107.868 > 73 84 Ag 0.83333333333333 0.66666666666667 0.58333333333333 107.868 > 73 85 Ag 0.16666666666667 0.33333333333333 0.41666666666667 107.868 > 77 86 Ag 0.66666666666667 0.33333333333333 0.41666666666667 107.868 > 77 87 Ag 0.16666666666667 0.83333333333333 0.41666666666667 107.868 > 77 88 Ag 0.66666666666667 0.83333333333333 0.41666666666667 107.868 > 77 89 Ag 0.16666666666667 0.33333333333333 0.91666666666667 107.868 > 73 90 Ag 0.66666666666667 0.33333333333333 0.91666666666667 107.868 > 73 91 Ag 0.16666666666667 0.83333333333333 0.91666666666667 107.868 > 73 92 Ag 0.66666666666667 0.83333333333333 0.91666666666667 107.868 > 73 93 Ag 0.00000000000000 0.00000000000000 0.75000000000000 107.868 > 77 94 Ag 0.50000000000000 0.00000000000000 0.75000000000000 107.868 > 77 95 Ag 0.00000000000000 0.50000000000000 0.75000000000000 107.868 > 77 96 Ag 0.50000000000000 0.50000000000000 0.75000000000000 107.868 > 77 97 Ta 0.00000000000000 0.00000000000000 0.00000000000000 180.948 > 97 98 Ta 0.50000000000000 0.00000000000000 0.00000000000000 180.948 > 97 99 Ta 0.00000000000000 0.50000000000000 0.00000000000000 180.948 > 97 100 Ta 0.50000000000000 0.50000000000000 0.00000000000000 180.948 > 97 101 Ta 0.16666666666667 0.33333333333333 0.16666666666667 180.948 > 101 102 Ta 0.66666666666667 0.33333333333333 0.16666666666667 180.948 > 101 103 Ta 0.16666666666667 0.83333333333333 0.16666666666667 180.948 > 101 104 Ta 0.66666666666667 0.83333333333333 0.16666666666667 180.948 > 101 105 Ta 0.33333333333333 0.16666666666667 0.33333333333333 180.948 > 97 106 Ta 0.83333333333333 0.16666666666667 0.33333333333333 180.948 > 97 107 Ta 0.33333333333333 0.66666666666667 0.33333333333333 180.948 > 97 108 Ta 0.83333333333333 0.66666666666667 0.33333333333333 180.948 > 97 109 Ta 0.00000000000000 0.00000000000000 0.50000000000000 180.948 > 101 110 Ta 0.50000000000000 0.00000000000000 0.50000000000000 180.948 > 101 111 Ta 0.00000000000000 0.50000000000000 0.50000000000000 180.948 > 101 112 Ta 0.50000000000000 0.50000000000000 0.50000000000000 180.948 > 101 113 Ta 0.16666666666667 0.33333333333333 0.66666666666667 180.948 > 97 114 Ta 0.66666666666667 0.33333333333333 0.66666666666667 180.948 > 97 115 Ta 0.16666666666667 0.83333333333333 0.66666666666667 180.948 > 97 116 Ta 0.66666666666667 0.83333333333333 0.66666666666667 180.948 > 97 117 Ta 0.33333333333333 0.16666666666667 0.83333333333333 180.948 > 101 118 Ta 0.83333333333333 0.16666666666667 0.83333333333333 180.948 > 101 119 Ta 0.33333333333333 0.66666666666667 0.83333333333333 180.948 > 101 120 Ta 0.83333333333333 0.66666666666667 0.83333333333333 180.948 > 101 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 7.0787693 -0.0000000 0.0000000 -0.0000000 7.0787693 0.0000000 0.0000000 0.0000000 6.9997885 -------------------------- Born effective charges -------------------------- 1 O -4.1191987 1.2541631 -1.9363813 1.2541631 -2.6710159 1.1179703 -2.0039829 1.1570000 -3.4593383 2 O -4.1191987 -1.2541631 1.9363813 -1.2541631 -2.6710159 1.1179703 2.0039829 1.1570000 -3.4593383 3 O -1.9469244 0.0000000 0.0000000 0.0000000 -4.8432901 -2.2359406 0.0000000 -2.3140001 -3.4593383 4 O -4.1191987 1.2541631 -1.9363813 1.2541631 -2.6710159 1.1179703 -2.0039829 1.1570000 -3.4593383 5 O -1.9469244 0.0000000 0.0000000 0.0000000 -4.8432901 -2.2359406 0.0000000 -2.3140001 -3.4593383 6 O -4.1191987 -1.2541631 1.9363813 -1.2541631 -2.6710159 1.1179703 2.0039829 1.1570000 -3.4593383 7 Ag 1.4055446 0.0000000 0.0000000 0.0000000 1.4055446 -0.0000000 0.0000000 0.0000000 1.3598452 8 Ag 1.4055446 0.0000000 0.0000000 0.0000000 1.4055446 -0.0000000 0.0000000 0.0000000 1.3598452 9 Ta 8.7797773 0.8074832 0.0000000 -0.8074832 8.7797772 -0.0000000 0.0000000 0.0000000 9.0181698 10 Ta 8.7797772 -0.8074832 0.0000000 0.8074832 8.7797773 -0.0000000 0.0000000 0.0000000 9.0181698 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (yzy) -0.00000001 (yzy) -0.00000001 (yyz) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 11 11 11 ] 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: 0.84, Number of G-points: 307, Lambda: 0.23 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/146) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 146 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 1.669 ( 0.000 0.000 0.000) 0.000 1.685 ( 0.000 0.000 0.000) 0.000 1.685 ( 0.000 0.000 0.000) 0.000 1.945 ( 0.000 0.000 0.000) 0.000 2.627 ( 0.000 0.000 0.000) 0.000 2.627 ( 0.000 0.000 0.000) 0.000 2.649 ( 0.000 0.000 0.000) 0.000 3.214 ( 0.000 0.000 0.000) 0.000 3.214 ( 0.000 0.000 0.000) 0.000 4.313 ( 0.000 0.000 0.000) 0.000 4.313 ( 0.000 0.000 0.000) 0.000 5.859 ( 0.000 0.000 0.000) 0.000 5.859 ( 0.000 0.000 0.000) 0.000 6.790 ( 0.000 0.000 0.000) 0.000 7.664 ( 0.000 0.000 0.000) 0.000 7.816 ( 0.000 0.000 0.000) 0.000 7.816 ( 0.000 0.000 0.000) 0.000 8.822 ( 0.000 0.000 0.000) 0.000 11.088 ( 0.000 0.000 0.000) 0.000 12.282 ( 0.000 0.000 0.000) 0.000 12.282 ( 0.000 0.000 0.000) 0.000 14.943 ( 0.000 0.000 0.000) 0.000 15.556 ( 0.000 0.000 0.000) 0.000 15.556 ( 0.000 0.000 0.000) 0.000 17.590 ( 0.000 0.000 0.000) 0.000 17.590 ( 0.000 0.000 0.000) 0.000 27.151 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/146) ======================= q-point: ( 0.09 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.596 ( 20.340 11.744 14.974) 27.854 0.615 ( 23.478 13.555 11.062) 29.280 1.125 ( 46.281 26.720 11.097) 54.580 1.760 ( 2.953 1.705 8.463) 9.124 1.854 ( 11.281 6.513 -1.137) 13.075 1.959 ( 1.960 1.131 0.833) 2.411 2.405 ( 19.003 10.972 -43.684) 48.885 2.735 ( 7.260 4.192 2.899) 8.871 2.793 ( 9.454 5.458 7.103) 13.024 3.273 ( -0.202 -0.117 28.214) 28.215 3.298 ( 7.901 4.562 4.286) 10.080 3.467 ( 11.711 6.761 52.951) 54.650 4.504 ( 14.037 8.104 7.783) 17.981 5.836 ( 6.886 3.975 8.830) 11.882 5.842 ( -2.277 -1.315 2.218) 3.440 6.767 ( -1.676 -0.968 -1.533) 2.469 6.862 ( -8.106 -4.680 8.604) 12.714 7.713 ( 3.905 2.255 0.866) 4.592 7.805 ( -2.085 -1.204 4.408) 5.023 8.836 ( 2.274 1.313 -2.359) 3.530 11.042 ( -4.650 -2.685 1.183) 5.499 11.670 ( 13.732 7.928 -34.910) 38.342 12.231 ( -4.268 -2.464 -0.977) 5.024 12.282 ( 0.794 0.458 -2.580) 2.738 15.065 ( -2.205 -1.273 20.181) 20.341 15.585 ( 1.633 0.943 3.739) 4.188 17.570 ( -3.157 -1.823 4.407) 5.719 17.610 ( 3.110 1.795 -5.183) 6.305 22.432 ( 6.501 3.754 17.478) 19.022 27.096 ( -4.366 -2.521 -2.202) 5.501 ======================= Grid point 2 (3/146) ======================= q-point: ( 0.18 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.073 ( 14.667 8.468 10.304) 19.824 1.176 ( 20.304 11.723 10.460) 25.672 1.821 ( -0.909 -0.525 2.292) 2.521 2.045 ( 9.637 5.564 0.331) 11.133 2.095 ( 6.793 3.922 7.240) 10.675 2.133 ( 29.137 16.822 12.154) 35.773 2.551 ( 18.215 10.516 -19.125) 28.428 2.939 ( 11.103 6.410 -3.425) 13.271 3.011 ( 5.143 2.970 12.359) 13.712 3.570 ( 13.064 7.543 18.882) 24.168 3.670 ( 20.197 11.660 8.683) 24.885 4.294 ( 34.382 19.850 23.401) 46.084 4.953 ( 18.148 10.478 11.449) 23.879 5.784 ( -5.029 -2.904 4.659) 7.445 6.121 ( 11.134 6.428 10.166) 16.390 6.691 ( -4.509 -2.603 -1.421) 5.397 6.729 ( -2.728 -1.575 -4.368) 5.385 7.800 ( -1.545 -0.892 7.788) 7.990 7.837 ( 6.810 3.932 0.852) 7.910 8.912 ( 7.288 4.208 -4.266) 9.435 10.894 ( -9.586 -5.534 1.407) 11.157 11.756 ( 7.457 4.305 -13.929) 16.375 12.091 ( -6.730 -3.885 -1.944) 8.010 12.284 ( 1.353 0.781 -4.091) 4.379 15.203 ( 6.691 3.863 7.617) 10.850 15.687 ( 4.384 2.531 8.091) 9.544 17.500 ( -7.140 -4.122 8.085) 11.548 17.638 ( 3.206 1.851 -9.720) 10.401 22.807 ( 17.064 9.852 15.925) 25.335 26.923 ( -9.468 -5.467 -4.481) 11.816 ======================= Grid point 3 (4/146) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.373 ( 8.017 4.629 5.916) 10.986 1.611 ( 13.530 7.811 5.634) 16.608 1.792 ( -1.820 -1.051 -0.202) 2.112 2.166 ( 1.181 0.682 2.602) 2.938 2.277 ( 5.217 3.012 4.853) 7.735 2.406 ( 3.425 1.978 -1.553) 4.249 3.206 ( 17.822 10.289 -9.582) 22.700 3.258 ( 37.080 21.408 6.859) 43.363 3.275 ( 9.965 5.753 21.791) 24.642 4.055 ( 19.878 11.477 13.773) 26.769 4.187 ( 19.045 10.996 9.146) 23.817 5.085 ( 25.308 14.611 6.856) 30.016 5.333 ( 8.626 4.980 6.935) 12.137 5.685 ( -7.559 -4.364 8.195) 11.973 6.218 ( -5.236 -3.023 -6.336) 8.758 6.544 ( -8.516 -4.917 0.483) 9.846 6.922 ( 20.269 11.702 5.879) 24.132 7.844 ( 0.035 0.020 9.274) 9.274 8.043 ( 11.674 6.740 2.513) 13.713 9.144 ( 17.029 9.832 -4.167) 20.101 10.631 ( -14.757 -8.520 0.148) 17.040 11.692 ( -9.774 -5.643 -4.743) 12.242 12.017 ( 3.501 2.021 -3.860) 5.589 12.287 ( 1.309 0.756 -4.225) 4.488 15.467 ( 14.529 8.388 1.112) 16.813 15.896 ( 8.408 4.854 12.968) 16.200 17.351 ( -12.128 -7.002 10.573) 17.548 17.596 ( -0.610 -0.352 -13.679) 13.697 23.377 ( 24.494 14.142 16.054) 32.522 26.611 ( -15.458 -8.925 -6.860) 19.122 ======================= Grid point 4 (5/146) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.533 ( 4.361 2.518 3.369) 6.059 1.746 ( -1.908 -1.102 -0.838) 2.357 1.850 ( 6.558 3.786 1.913) 7.811 2.141 ( -3.341 -1.929 0.338) 3.873 2.386 ( 3.310 1.911 0.671) 3.880 2.457 ( 1.132 0.654 1.325) 1.862 3.583 ( 19.808 11.436 -5.048) 23.423 3.725 ( 14.650 8.458 25.507) 30.607 4.076 ( 32.611 18.828 4.174) 37.886 4.562 ( 8.426 4.865 9.771) 13.789 4.585 ( 20.942 12.091 6.854) 25.134 5.416 ( -2.838 -1.638 3.456) 4.762 5.432 ( 3.941 2.275 -5.384) 7.050 5.553 ( -9.401 -5.427 6.903) 12.864 6.022 ( -2.556 -1.476 -11.473) 11.847 6.330 ( -10.868 -6.275 1.553) 12.645 7.422 ( 17.940 10.357 2.849) 20.910 7.888 ( -2.063 -1.191 8.386) 8.718 8.443 ( 22.035 12.722 8.176) 26.726 9.613 ( 26.148 15.097 -1.947) 30.256 10.241 ( -19.747 -11.401 -2.234) 22.911 11.336 ( -18.926 -10.927 -2.915) 22.047 12.109 ( 5.133 2.964 -1.689) 6.163 12.282 ( 0.438 0.253 -3.410) 3.447 15.850 ( 20.592 11.889 -4.146) 24.137 16.229 ( 12.413 7.167 17.338) 22.496 17.097 ( -17.435 -10.066 11.587) 23.229 17.414 ( -6.705 -3.871 -17.162) 18.827 24.077 ( 28.819 16.638 15.314) 36.632 26.147 ( -21.674 -12.514 -9.287) 26.695 ======================= Grid point 5 (6/146) ======================= q-point: ( 0.45 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.629 ( 2.843 1.641 2.177) 3.939 1.694 ( -2.133 -1.231 -1.465) 2.866 1.967 ( 3.956 2.284 0.812) 4.639 2.056 ( -3.918 -2.262 -0.354) 4.537 2.444 ( 2.196 1.268 -1.140) 2.780 2.469 ( -0.882 -0.509 1.657) 1.945 3.960 ( 15.340 8.856 -3.700) 18.095 4.094 ( 2.318 1.338 12.129) 12.421 4.734 ( 25.354 14.638 -2.198) 29.358 4.762 ( 4.463 2.577 22.369) 22.955 5.003 ( 11.404 6.584 -7.013) 14.919 5.231 ( -16.118 -9.306 1.724) 18.691 5.257 ( -5.484 -3.166 -9.064) 11.057 5.387 ( -8.110 -4.682 0.913) 9.409 6.017 ( 4.340 2.506 -4.188) 6.531 6.124 ( -7.700 -4.446 1.607) 9.036 7.716 ( 9.933 5.735 -3.573) 12.013 7.851 ( -5.695 -3.288 6.453) 9.214 9.070 ( 27.075 15.632 10.050) 32.839 9.703 ( -23.788 -13.734 -7.567) 28.491 10.241 ( 27.243 15.729 1.860) 31.512 10.836 ( -24.474 -14.130 -2.342) 28.357 12.200 ( 3.246 1.874 0.474) 3.778 12.257 ( -1.181 -0.682 -2.120) 2.521 16.299 ( 23.082 13.327 -8.298) 27.915 16.652 ( 13.773 7.952 19.602) 25.242 16.737 ( -21.272 -12.281 11.038) 26.929 17.081 ( -12.059 -6.962 -19.552) 24.004 24.825 ( 29.552 17.062 13.738) 36.786 25.538 ( -26.844 -15.498 -11.642) 33.110 ======================= Grid point 12 (7/146) ======================= q-point: ( 0.09 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.615 ( 0.000 15.102 16.561) 22.413 0.637 ( 0.000 19.703 13.368) 23.810 1.245 ( 0.000 41.291 22.118) 46.842 1.784 ( 0.000 0.290 10.364) 10.368 1.816 ( 0.000 11.252 0.519) 11.264 1.956 ( 0.000 2.109 1.015) 2.341 2.140 ( -0.000 9.254 -11.088) 14.442 2.724 ( 0.000 6.804 -0.358) 6.813 2.902 ( 0.000 16.923 10.087) 19.701 3.309 ( 0.000 8.908 5.336) 10.383 3.347 ( 0.000 7.979 10.911) 13.517 3.942 ( 0.000 -6.513 61.784) 62.126 4.478 ( 0.000 11.676 4.862) 12.648 5.837 ( 0.000 2.322 8.093) 8.419 5.939 ( 0.000 -2.142 10.310) 10.530 6.732 ( -0.000 -4.094 -4.569) 6.135 7.056 ( 0.000 -15.635 20.718) 25.955 7.737 ( 0.000 5.546 3.726) 6.682 7.789 ( 0.000 -1.417 3.644) 3.910 8.815 ( -0.000 2.799 -4.480) 5.283 11.052 ( 0.000 -5.603 2.183) 6.013 11.413 ( -0.000 32.448 -38.212) 50.130 12.192 ( -0.000 -6.192 -4.679) 7.761 12.284 ( -0.000 2.087 -2.316) 3.118 15.223 ( 0.000 -11.904 23.692) 26.514 15.567 ( 0.000 -0.560 1.921) 2.001 17.461 ( -0.000 -9.269 -6.512) 11.328 17.683 ( 0.000 7.146 2.748) 7.656 22.614 ( 0.000 4.790 25.276) 25.725 27.076 ( -0.000 -4.852 -4.257) 6.455 ======================= Grid point 13 (8/146) ======================= q-point: ( 0.18 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.966 ( 15.248 8.082 15.225) 23.014 1.048 ( 15.061 10.913 9.276) 20.783 1.825 ( 0.179 -2.494 3.391) 4.213 1.875 ( 18.478 20.327 1.189) 27.496 2.034 ( 7.737 6.856 8.380) 13.308 2.063 ( 8.979 9.946 7.801) 15.505 2.294 ( 11.716 8.982 -7.767) 16.681 2.809 ( 4.859 0.605 -0.435) 4.915 3.167 ( 2.048 16.076 14.668) 21.858 3.601 ( 11.218 17.706 11.447) 23.883 3.623 ( 9.596 16.480 16.276) 25.071 4.366 ( 8.525 18.965 37.052) 42.488 4.830 ( 18.930 11.649 8.250) 23.708 5.867 ( -4.033 -4.623 5.949) 8.546 6.034 ( 8.412 -1.586 6.192) 10.564 6.639 ( -1.838 -4.025 -0.032) 4.425 6.928 ( -10.735 0.365 4.132) 11.509 7.803 ( -0.198 4.091 5.758) 7.066 7.897 ( 2.099 5.105 10.939) 12.253 8.831 ( 2.469 4.638 -6.352) 8.243 10.957 ( -4.971 -8.865 1.891) 10.337 11.584 ( 9.845 16.912 -18.613) 27.007 12.062 ( -2.128 -10.060 -5.689) 11.752 12.286 ( -0.781 3.906 -3.320) 5.185 15.240 ( -0.806 -1.524 11.453) 11.582 15.642 ( 6.789 -2.154 5.478) 8.985 17.331 ( 4.311 -15.478 -8.397) 18.129 17.756 ( -3.381 9.075 2.346) 9.964 22.886 ( 4.396 14.006 22.873) 27.179 26.944 ( -4.814 -7.367 -6.238) 10.788 ======================= Grid point 14 (9/146) ======================= q-point: ( 0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.321 ( 9.375 6.386 5.341) 12.538 1.466 ( 17.959 3.857 10.417) 21.117 1.800 ( -1.209 -1.844 -0.027) 2.205 2.149 ( 6.828 4.021 0.680) 7.953 2.203 ( 6.146 -1.610 7.183) 9.589 2.319 ( 7.140 2.910 -4.840) 9.104 2.785 ( 26.859 19.253 -11.697) 35.056 2.937 ( 15.736 -4.873 11.455) 20.064 3.507 ( 6.087 19.532 19.848) 28.505 4.067 ( 11.212 21.018 16.579) 29.023 4.141 ( 14.412 20.097 15.788) 29.340 4.975 ( 16.770 17.687 16.799) 29.602 5.274 ( 14.165 6.553 3.404) 15.974 5.728 ( -2.800 -14.139 -1.522) 14.494 6.118 ( 3.156 -8.028 3.137) 9.179 6.699 ( -2.265 7.035 3.944) 8.377 6.857 ( 2.326 10.092 4.073) 11.128 7.900 ( 0.645 3.590 12.156) 12.691 8.082 ( 1.505 12.751 10.033) 16.294 8.936 ( 10.802 6.077 -6.771) 14.124 10.737 ( -10.124 -12.277 -0.245) 15.915 11.717 ( -1.632 2.436 -8.705) 9.186 11.907 ( 4.077 -5.629 -5.402) 8.803 12.293 ( -1.033 5.207 -3.406) 6.307 15.353 ( 7.730 4.108 1.952) 8.968 15.820 ( 11.617 -2.300 9.728) 15.326 17.184 ( 5.998 -21.898 -9.064) 24.447 17.750 ( -9.309 8.291 0.787) 12.491 23.334 ( 13.790 17.765 20.042) 30.124 26.686 ( -10.634 -10.066 -8.246) 16.805 ======================= Grid point 15 (10/146) ======================= q-point: ( 0.36 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.505 ( 5.087 3.216 2.536) 6.531 1.739 ( 1.929 -1.818 -0.475) 2.693 1.803 ( 6.162 4.175 4.006) 8.453 2.196 ( -3.383 -0.110 1.315) 3.632 2.292 ( 6.109 -2.833 1.119) 6.827 2.441 ( 4.155 1.785 0.043) 4.523 3.158 ( 27.334 1.230 -7.834) 28.461 3.488 ( 29.464 4.027 9.758) 31.298 3.987 ( 13.421 18.562 14.293) 26.999 4.533 ( 8.319 16.585 12.878) 22.586 4.637 ( 10.249 19.936 15.308) 27.144 5.222 ( 6.453 -21.173 -16.327) 27.504 5.456 ( 5.006 4.108 8.043) 10.326 5.588 ( -2.689 -0.942 1.380) 3.166 6.097 ( -6.899 3.314 7.770) 10.906 6.598 ( -13.567 7.414 -1.707) 15.555 7.274 ( 18.755 11.803 9.814) 24.236 8.037 ( -2.466 5.037 16.492) 17.419 8.333 ( 8.687 15.893 4.211) 18.596 9.270 ( 25.004 8.886 -2.950) 26.699 10.381 ( -15.169 -15.353 -3.734) 21.904 11.443 ( -12.315 -14.725 -6.179) 20.167 12.028 ( 7.556 5.138 -2.331) 9.430 12.302 ( -1.710 5.158 -2.514) 5.987 15.597 ( 16.248 6.743 -4.863) 18.252 16.119 ( 17.293 -1.126 13.198) 21.783 16.977 ( 4.291 -26.619 -9.798) 28.688 17.600 ( -16.304 4.541 -1.076) 16.958 23.930 ( 21.851 18.732 16.552) 33.201 26.285 ( -17.310 -12.562 -10.261) 23.722 ======================= Grid point 16 (11/146) ======================= q-point: ( 0.45 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.607 ( 3.270 1.676 1.452) 3.951 1.701 ( -1.475 -1.659 -1.466) 2.660 1.948 ( 3.486 3.616 1.617) 5.277 2.120 ( -5.118 -0.783 0.566) 5.208 2.367 ( 5.458 -1.778 -0.948) 5.819 2.475 ( 0.082 -1.215 0.694) 1.401 3.627 ( 28.662 4.545 -6.271) 29.690 4.006 ( 18.863 -3.835 12.000) 22.683 4.356 ( 16.435 -2.586 -6.974) 18.040 4.783 ( 0.441 3.144 2.898) 4.299 4.892 ( 7.896 -12.812 -7.629) 16.873 5.123 ( 7.452 13.651 9.999) 18.490 5.486 ( -8.228 2.819 3.746) 9.470 5.535 ( -10.507 -1.065 3.763) 11.211 6.098 ( -4.065 10.908 3.215) 12.076 6.413 ( -17.510 7.875 4.533) 19.727 7.667 ( 8.230 11.422 4.908) 14.910 8.071 ( -11.352 4.873 13.949) 18.633 8.796 ( 26.353 12.817 3.335) 29.494 9.776 ( 8.457 -1.616 -6.722) 10.923 9.962 ( 3.057 -5.010 -0.760) 5.918 10.994 ( -17.061 -19.794 -5.376) 26.679 12.173 ( 4.580 4.977 0.323) 6.772 12.296 ( -2.936 3.931 -1.289) 5.073 15.940 ( 22.490 6.263 -8.843) 24.965 16.535 ( 21.060 1.011 14.585) 25.638 16.686 ( 0.575 -27.937 -10.709) 29.925 17.282 ( -22.543 -0.437 -2.725) 22.711 24.612 ( 26.736 17.815 12.994) 34.656 25.740 ( -23.921 -14.218 -11.996) 30.302 ======================= Grid point 17 (12/146) ======================= q-point: (-0.45 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.641 ( -2.006 -1.544 -2.186) 3.344 1.675 ( 2.134 0.811 1.061) 2.517 2.030 ( -4.250 -0.135 0.230) 4.259 2.035 ( 1.838 2.714 0.391) 3.301 2.422 ( 3.176 -0.867 -1.881) 3.792 2.446 ( -0.720 -3.745 0.554) 3.854 3.831 ( 0.974 -24.845 -21.510) 32.877 4.095 ( 8.891 -0.956 3.862) 9.740 4.466 ( 2.593 -6.201 -15.588) 16.975 4.801 ( 20.466 -9.808 13.504) 26.408 5.072 ( -1.066 5.011 -9.952) 11.193 5.254 ( -11.072 2.935 5.958) 12.911 5.334 ( -15.764 -1.481 1.393) 15.894 5.396 ( 2.227 7.927 6.901) 10.743 6.164 ( -5.691 10.532 0.240) 11.973 6.309 ( -10.233 13.266 12.242) 20.750 7.850 ( -0.449 9.522 0.468) 9.544 7.955 ( -14.953 1.433 10.309) 18.219 9.255 ( -22.930 -17.025 -12.839) 31.312 9.408 ( 29.028 9.722 2.910) 30.751 10.438 ( -20.926 -23.054 -4.221) 31.420 10.507 ( 29.900 9.878 2.424) 31.582 12.259 ( -4.306 1.904 0.003) 4.708 12.276 ( 1.565 4.318 1.850) 4.951 16.316 ( 13.239 -10.897 -10.896) 20.316 16.339 ( 8.795 -11.570 -9.951) 17.613 16.829 ( -25.593 -4.430 -4.304) 26.327 17.002 ( 19.915 3.761 13.585) 24.399 25.074 ( -28.705 -14.293 -13.132) 34.651 25.304 ( 27.245 15.122 10.006) 32.728 ======================= Grid point 18 (13/146) ======================= q-point: (-0.36 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.561 ( -3.842 -1.706 -3.024) 5.178 1.722 ( 2.242 0.108 0.370) 2.275 1.923 ( -6.433 -2.967 -1.075) 7.165 2.113 ( 3.007 2.891 -0.585) 4.212 2.365 ( -1.867 -6.469 -1.205) 6.840 2.446 ( 1.149 -0.874 -2.229) 2.655 3.345 ( -1.198 -32.812 -23.811) 40.559 3.959 ( -20.608 -2.029 -0.468) 20.713 4.385 ( -11.744 -5.591 -3.053) 13.360 4.688 ( -18.339 1.693 -6.899) 19.667 4.908 ( -26.023 -4.282 -1.092) 26.395 5.195 ( 18.577 -5.118 2.856) 19.480 5.415 ( 7.876 6.139 -6.748) 12.052 5.494 ( 3.021 -1.318 8.786) 9.384 6.109 ( -11.478 5.118 7.985) 14.890 6.446 ( -1.643 17.772 4.669) 18.449 7.648 ( -20.334 -8.323 0.994) 21.994 7.910 ( -4.626 5.887 -1.478) 7.631 8.645 ( -22.410 -9.913 -10.706) 26.741 9.834 ( -21.524 -22.665 -0.804) 31.267 9.966 ( 25.526 7.366 0.303) 26.569 11.070 ( 25.562 7.886 2.144) 26.837 12.188 ( -5.691 -0.290 1.371) 5.861 12.335 ( -0.713 3.400 2.594) 4.336 15.960 ( -6.883 -19.757 -8.136) 22.448 16.328 ( -23.015 -6.366 -6.365) 24.713 16.694 ( 24.194 0.424 -9.576) 26.023 17.412 ( 13.978 4.684 10.913) 18.341 24.351 ( -31.617 -12.575 -12.693) 36.316 25.928 ( 24.988 11.359 7.201) 28.377 ======================= Grid point 19 (14/146) ======================= q-point: (-0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.428 ( -7.095 -2.839 -5.028) 9.148 1.683 ( -9.005 -14.172 -6.338) 17.947 1.765 ( 0.585 0.932 -0.438) 1.184 2.156 ( 0.995 -0.427 -3.414) 3.582 2.246 ( -3.480 -5.147 -2.563) 6.721 2.419 ( -0.480 -2.474 -1.533) 2.949 2.964 ( 0.577 -18.021 -12.787) 22.104 3.566 ( -21.389 -1.687 -1.875) 21.537 3.806 ( -38.578 -7.425 -2.073) 39.341 4.345 ( -29.440 -5.203 -3.560) 30.108 4.416 ( -20.685 -2.583 -4.594) 21.346 5.280 ( -8.127 -6.040 -1.146) 10.190 5.496 ( 2.432 0.421 -3.656) 4.412 5.589 ( -5.537 9.308 4.206) 11.618 6.046 ( 3.689 -7.315 4.830) 9.510 6.592 ( -0.883 12.812 -3.346) 13.271 7.145 ( -22.092 -10.464 -4.713) 24.895 7.823 ( -5.088 -1.830 -3.340) 6.355 8.231 ( -16.434 -0.967 -4.172) 16.983 9.324 ( -16.529 -15.168 1.714) 22.499 10.407 ( 20.070 5.060 -0.215) 20.699 11.527 ( 19.731 5.944 2.054) 20.709 12.088 ( -6.183 -2.388 2.659) 7.142 12.355 ( -2.138 2.364 2.679) 4.164 15.615 ( -12.295 -11.151 -3.748) 17.017 15.909 ( -13.097 -6.064 -8.305) 16.652 17.002 ( 20.484 -2.066 -7.397) 21.876 17.679 ( 5.467 4.112 7.457) 10.119 23.646 ( -30.878 -8.900 -10.622) 33.845 26.431 ( 20.106 7.066 4.708) 21.825 ======================= Grid point 20 (15/146) ======================= q-point: (-0.18 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.154 ( -13.331 -10.930 -10.031) 19.946 1.297 ( -13.932 -10.412 -5.645) 18.286 1.783 ( 0.726 -0.419 -1.168) 1.438 2.077 ( -3.603 -3.535 -3.759) 6.293 2.126 ( -6.639 -1.196 -1.263) 6.863 2.346 ( -8.475 -4.066 -0.984) 9.451 2.794 ( -6.080 -4.392 -3.329) 8.206 3.113 ( -30.286 -4.297 2.435) 30.686 3.233 ( -16.586 -1.033 0.633) 16.630 3.759 ( -29.323 -3.410 -8.550) 30.733 3.953 ( -26.610 -4.467 -3.049) 27.154 4.780 ( -42.259 -8.005 -1.398) 43.033 5.193 ( -25.216 -0.680 -4.895) 25.696 5.716 ( 5.529 5.528 -0.662) 7.846 6.081 ( 3.139 -9.420 -4.309) 10.824 6.571 ( 0.714 -1.278 -3.511) 3.804 6.900 ( -6.306 6.521 2.926) 9.531 7.718 ( -0.313 -3.871 -2.664) 4.710 7.975 ( -11.934 -0.502 -1.471) 12.035 9.029 ( -9.693 -5.033 2.110) 11.124 10.727 ( 14.520 2.588 -0.566) 14.760 11.855 ( 9.056 5.599 3.361) 11.165 11.992 ( -0.829 -4.767 1.919) 5.205 12.348 ( -2.551 1.241 1.926) 3.429 15.301 ( -13.178 -4.190 -2.789) 14.107 15.677 ( -4.853 -3.355 -5.176) 7.849 17.239 ( 15.405 -2.462 -4.039) 16.115 17.772 ( -2.087 2.488 3.779) 4.983 23.041 ( -26.889 -4.264 -6.729) 28.044 26.789 ( 14.422 3.151 2.321) 14.943 ======================= Grid point 21 (16/146) ======================= q-point: (-0.09 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.768 ( -18.577 0.000 0.000) 18.577 0.942 ( -21.323 0.000 0.000) 21.323 1.752 ( -2.673 0.000 0.000) 2.673 1.819 ( -46.290 0.000 0.000) 46.290 1.976 ( -4.815 0.000 0.000) 4.815 2.000 ( -6.287 0.000 0.000) 6.287 2.671 ( -2.449 0.000 0.000) 2.449 2.882 ( -6.232 0.000 0.000) 6.232 2.964 ( -17.918 0.000 0.000) 17.918 3.261 ( -21.327 0.000 0.000) 21.327 3.498 ( -21.457 0.000 0.000) 21.457 3.902 ( -49.230 0.000 0.000) 49.230 4.748 ( -23.200 0.000 0.000) 23.200 5.815 ( 3.048 -0.000 -0.000) 3.048 5.928 ( -9.548 0.000 0.000) 9.548 6.658 ( 8.424 -0.000 -0.000) 8.424 6.886 ( -2.646 0.000 0.000) 2.646 7.724 ( 3.846 -0.000 -0.000) 3.846 7.801 ( -8.038 0.000 0.000) 8.038 8.897 ( -5.184 0.000 0.000) 5.184 10.935 ( 9.384 -0.000 -0.000) 9.384 11.862 ( -5.224 0.000 0.000) 5.224 12.118 ( 10.064 -0.000 -0.000) 10.064 12.321 ( -2.151 0.000 0.000) 2.151 15.084 ( -8.956 0.000 0.000) 8.956 15.590 ( -2.211 0.000 0.000) 2.211 17.423 ( 10.128 -0.000 -0.000) 10.128 17.725 ( -5.837 0.000 0.000) 5.837 22.604 ( -20.025 0.000 0.000) 20.025 27.005 ( 9.046 -0.000 -0.000) 9.046 ======================= Grid point 24 (17/146) ======================= q-point: ( 0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.001 ( 0.000 7.444 9.730) 12.251 1.064 ( 0.000 8.163 10.415) 13.233 1.821 ( 0.000 -2.783 1.125) 3.002 1.861 ( -0.000 10.115 -2.868) 10.513 2.102 ( 0.000 2.737 8.551) 8.979 2.119 ( 0.000 10.045 -0.288) 10.049 2.284 ( 0.000 13.266 10.287) 16.788 2.766 ( -0.000 -0.392 -2.416) 2.448 3.422 ( 0.000 16.373 19.623) 25.557 3.782 ( 0.000 26.814 12.685) 29.663 3.861 ( 0.000 23.855 18.812) 30.380 4.725 ( 0.000 16.693 31.544) 35.689 4.774 ( 0.000 11.286 2.258) 11.509 5.719 ( -0.000 -27.337 -11.434) 29.632 6.069 ( 0.000 9.610 10.527) 14.254 6.647 ( 0.000 0.647 6.114) 6.148 7.023 ( 0.000 -5.003 5.259) 7.259 7.995 ( 0.000 13.167 8.578) 15.715 8.000 ( 0.000 7.881 17.936) 19.592 8.836 ( -0.000 8.629 -7.428) 11.386 10.910 ( 0.000 -12.369 1.416) 12.450 11.570 ( -0.000 18.749 -13.235) 22.950 11.923 ( -0.000 -12.290 -9.213) 15.359 12.317 ( -0.000 4.707 -2.101) 5.154 15.296 ( 0.000 -5.448 10.671) 11.981 15.558 ( 0.000 -3.628 1.474) 3.916 17.047 ( -0.000 -20.211 -13.739) 24.438 17.892 ( 0.000 9.151 3.401) 9.763 23.150 ( 0.000 15.215 22.956) 27.541 26.859 ( -0.000 -9.226 -7.627) 11.971 ======================= Grid point 25 (18/146) ======================= q-point: ( 0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.241 ( 12.368 5.500 5.878) 14.757 1.274 ( 11.900 -0.544 10.427) 15.831 1.794 ( -0.342 -2.087 -0.197) 2.124 2.006 ( 11.641 5.285 -6.383) 14.290 2.153 ( 1.736 1.075 3.328) 3.904 2.234 ( 3.983 1.553 0.103) 4.276 2.602 ( 12.025 12.777 3.379) 17.868 2.769 ( 5.773 -3.491 1.958) 7.025 3.733 ( 2.742 15.228 21.843) 26.768 4.253 ( 9.947 28.232 15.260) 33.599 4.292 ( 7.014 26.476 18.050) 32.802 4.924 ( 8.842 -3.036 -9.440) 13.286 5.124 ( 9.116 8.269 14.732) 19.197 5.425 ( 12.023 -19.395 -8.959) 24.515 6.179 ( -6.396 6.036 12.970) 15.671 6.787 ( 4.004 6.178 8.387) 11.161 6.983 ( -3.092 3.356 3.951) 6.037 8.120 ( -5.042 13.083 13.279) 19.311 8.273 ( 3.327 12.398 18.265) 22.324 8.877 ( -0.493 11.273 -7.788) 13.711 10.731 ( -5.693 -15.657 -0.967) 16.688 11.693 ( -2.983 -7.072 -11.490) 13.818 11.738 ( 7.204 5.258 -6.017) 10.759 12.350 ( -0.845 5.968 -1.310) 6.169 15.300 ( 1.840 -2.305 2.278) 3.727 15.619 ( 10.896 -7.294 3.856) 13.667 16.771 ( 4.953 -25.653 -16.111) 30.695 17.956 ( -4.908 7.307 2.487) 9.147 23.484 ( 5.345 16.426 20.185) 26.567 26.664 ( -5.544 -10.964 -8.812) 15.120 ======================= Grid point 26 (19/146) ======================= q-point: ( 0.36 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.438 ( 7.843 2.538 -0.917) 8.294 1.607 ( 14.205 -2.346 9.740) 17.382 1.780 ( 1.296 -0.400 0.737) 1.544 2.194 ( 4.389 1.102 -1.317) 4.713 2.244 ( 2.326 -1.930 4.030) 5.038 2.292 ( 12.237 1.439 -5.527) 13.504 2.743 ( 11.363 -1.960 -8.182) 14.139 3.133 ( 24.393 5.108 7.756) 26.101 4.054 ( 5.056 6.736 11.979) 14.644 4.588 ( 8.999 -25.619 -14.503) 30.784 4.760 ( 5.081 24.156 12.263) 27.563 4.832 ( 7.162 13.634 9.455) 18.072 5.437 ( 10.469 9.031 5.510) 14.883 5.662 ( 7.912 6.155 4.717) 11.079 6.229 ( -0.015 2.274 13.609) 13.797 6.797 ( -5.374 6.358 -4.929) 9.675 7.203 ( 8.986 9.588 14.755) 19.759 8.266 ( -2.691 13.691 12.693) 18.862 8.557 ( -3.849 16.454 16.981) 23.956 8.993 ( 12.488 9.635 -6.124) 16.920 10.409 ( -11.154 -18.113 -4.632) 21.770 11.383 ( -6.888 -18.985 -10.685) 22.849 11.946 ( 8.363 9.314 -2.376) 12.741 12.382 ( -1.903 6.365 -0.518) 6.663 15.380 ( 10.182 0.836 -5.570) 11.636 15.823 ( 19.184 -9.460 7.067) 22.527 16.503 ( 7.603 -29.362 -17.055) 34.797 17.882 ( -12.137 3.398 1.310) 12.672 23.916 ( 13.614 16.416 15.828) 26.559 26.345 ( -12.144 -12.195 -9.924) 19.867 ======================= Grid point 27 (20/146) ======================= q-point: ( 0.45 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.556 ( 5.331 0.736 -0.977) 5.470 1.694 ( -0.170 -1.549 0.013) 1.558 1.909 ( 6.972 1.597 3.185) 7.830 2.191 ( -3.396 -3.217 0.105) 4.679 2.255 ( 3.918 0.122 -0.854) 4.012 2.444 ( 3.359 -1.452 -0.017) 3.659 3.054 ( 33.881 -1.441 -7.655) 34.765 3.645 ( 25.180 -1.319 5.949) 25.907 3.880 ( 7.275 -36.095 -27.110) 45.724 4.638 ( 11.723 4.044 6.154) 13.844 4.996 ( -7.630 13.320 10.582) 18.645 5.205 ( 8.162 12.383 8.646) 17.167 5.656 ( 0.823 6.440 4.238) 7.753 5.729 ( -8.234 7.289 8.606) 13.964 6.300 ( -5.614 6.553 3.802) 9.429 6.782 ( -8.251 12.637 3.718) 15.543 7.608 ( 18.266 7.615 11.910) 23.097 8.448 ( -5.974 11.835 16.946) 21.516 8.638 ( -1.360 11.933 -1.284) 12.078 9.438 ( 26.552 9.098 1.491) 28.107 9.970 ( -14.423 -17.607 -7.447) 23.948 10.965 ( -10.971 -23.282 -9.783) 27.534 12.142 ( 6.420 7.073 0.083) 9.552 12.395 ( -3.400 5.604 0.227) 6.558 15.577 ( 18.061 1.260 -9.471) 20.432 16.137 ( 21.596 -19.787 0.525) 29.295 16.267 ( 12.410 -17.891 -8.996) 23.559 17.631 ( -20.006 -1.085 0.462) 20.040 24.451 ( 21.408 15.146 11.279) 28.547 25.897 ( -19.305 -12.453 -10.722) 25.352 ======================= Grid point 28 (21/146) ======================= q-point: ( 0.55 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.615 ( 2.376 -0.876 -1.776) 3.093 1.670 ( -0.650 -0.436 0.217) 0.812 2.014 ( 3.019 1.213 -0.521) 3.295 2.089 ( -3.307 -4.199 -1.404) 5.526 2.326 ( 5.056 -0.231 -1.347) 5.238 2.427 ( -1.231 -3.875 0.060) 4.066 3.296 ( 4.456 -37.747 -28.801) 47.688 3.645 ( 36.151 -1.312 -5.021) 36.522 4.193 ( 27.054 -1.617 5.860) 27.728 4.770 ( -10.533 2.483 4.540) 11.735 5.041 ( 2.181 8.426 0.916) 8.752 5.373 ( 1.319 -2.285 1.785) 3.186 5.632 ( -13.259 7.143 4.922) 15.844 5.646 ( -15.735 3.222 6.995) 17.518 6.331 ( -0.965 11.741 0.297) 11.784 6.780 ( -15.821 18.271 12.910) 27.401 7.978 ( 4.556 11.133 7.710) 14.288 8.346 ( -20.408 0.418 11.270) 23.317 8.974 ( 27.674 7.373 -4.164) 28.940 9.375 ( -18.625 -14.380 -10.741) 25.866 10.109 ( 29.479 7.911 3.639) 30.738 10.452 ( -14.772 -26.126 -7.893) 31.033 12.288 ( 3.475 4.978 1.050) 6.161 12.377 ( -4.913 4.309 1.067) 6.621 15.851 ( 20.502 -6.325 -11.390) 24.292 15.957 ( 9.386 -21.260 -13.169) 26.712 16.666 ( 28.669 -2.535 7.561) 29.757 17.217 ( -26.266 -4.265 -0.098) 26.610 25.041 ( 25.220 12.192 6.837) 28.835 25.338 ( -25.035 -11.002 -9.925) 29.091 ======================= Grid point 29 (22/146) ======================= q-point: (-0.36 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.581 ( -2.358 -1.424 -3.258) 4.266 1.676 ( 1.696 -2.723 -0.485) 3.245 1.913 ( -2.091 -12.571 -7.933) 15.011 2.093 ( 1.524 2.646 0.146) 3.056 2.347 ( -2.747 -4.007 -0.601) 4.896 2.380 ( 2.921 -1.008 -2.044) 3.705 2.883 ( 4.228 -24.799 -17.803) 30.819 4.166 ( 19.783 2.377 1.750) 20.002 4.362 ( -12.618 1.781 -3.928) 13.335 4.783 ( 20.670 -7.001 8.370) 23.374 4.982 ( -16.460 0.976 -9.365) 18.963 5.330 ( -22.429 -0.309 0.373) 22.434 5.375 ( -0.655 2.529 4.003) 4.780 5.527 ( -6.564 0.242 1.955) 6.853 6.451 ( -3.402 12.844 6.065) 14.606 6.781 ( -16.264 19.307 11.570) 27.769 7.921 ( -22.674 -10.695 -1.802) 25.134 8.102 ( -9.122 5.426 3.683) 11.234 8.865 ( -20.393 -4.319 -7.877) 22.284 9.539 ( 31.368 4.554 -2.318) 31.781 9.898 ( -16.142 -24.543 -3.641) 29.601 10.691 ( 29.002 5.627 2.338) 29.636 12.304 ( -5.737 1.582 0.879) 6.016 12.389 ( 0.102 3.962 1.886) 4.389 15.701 ( 4.279 -19.118 -11.734) 22.837 16.224 ( 24.794 -1.178 -6.888) 25.760 16.704 ( -28.928 -4.880 -0.811) 29.348 17.159 ( 25.471 0.091 5.915) 26.149 24.697 ( -30.428 -8.437 -9.021) 32.839 25.633 ( 26.586 8.481 4.812) 28.318 ======================= Grid point 30 (23/146) ======================= q-point: (-0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.446 ( -4.729 -9.444 -9.764) 14.384 1.573 ( -3.372 -10.559 -3.428) 11.602 1.770 ( -0.238 -1.075 -1.245) 1.663 2.126 ( 0.121 0.990 -0.872) 1.325 2.291 ( -2.653 1.564 0.440) 3.111 2.371 ( 0.689 -3.205 -1.983) 3.832 2.742 ( 4.604 -7.603 -4.833) 10.117 3.930 ( -25.254 -1.124 0.533) 25.285 4.295 ( -22.098 -1.355 -1.652) 22.201 4.650 ( -12.167 0.698 -2.260) 12.394 4.836 ( -30.574 -1.391 -1.053) 30.624 5.140 ( 17.153 -2.603 1.134) 17.386 5.453 ( 1.704 6.680 -6.681) 9.600 5.510 ( 8.699 -6.170 7.013) 12.764 6.461 ( -23.660 12.760 15.034) 30.800 6.718 ( -9.855 6.293 -4.244) 12.439 7.356 ( -20.381 -12.577 -6.728) 24.877 7.959 ( -13.053 0.810 -0.052) 13.078 8.495 ( -18.616 0.466 -3.384) 18.927 9.440 ( -13.906 -12.458 -0.545) 18.678 10.055 ( 26.439 2.040 -0.157) 26.518 11.197 ( 25.634 2.824 1.055) 25.810 12.207 ( -7.386 0.113 1.057) 7.462 12.418 ( -1.243 1.857 1.182) 2.528 15.553 ( 0.836 -8.791 -5.813) 10.572 16.188 ( -26.548 -3.232 -0.941) 26.760 16.580 ( 23.448 -1.302 -3.968) 23.817 17.553 ( 16.889 1.051 3.183) 17.218 24.061 ( -32.460 -4.411 -5.251) 33.176 26.141 ( 24.068 4.062 2.318) 24.518 ======================= Grid point 31 (24/146) ======================= q-point: (-0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.214 ( -8.751 0.000 0.000) 8.751 1.423 ( -8.575 0.000 0.000) 8.575 1.774 ( 0.482 -0.000 -0.000) 0.482 2.105 ( -2.316 0.000 0.000) 2.316 2.232 ( -6.167 0.000 0.000) 6.167 2.365 ( 1.143 -0.000 -0.000) 1.143 2.763 ( 2.922 -0.000 -0.000) 2.922 3.531 ( -21.176 0.000 0.000) 21.176 3.719 ( -39.113 0.000 0.000) 39.113 4.272 ( -34.400 0.000 0.000) 34.400 4.358 ( -23.501 0.000 0.000) 23.501 5.216 ( -12.029 0.000 0.000) 12.029 5.473 ( 1.404 -0.000 -0.000) 1.404 5.795 ( 19.240 -0.000 -0.000) 19.240 5.969 ( -37.968 0.000 0.000) 37.968 6.604 ( -5.079 0.000 0.000) 5.079 7.063 ( -9.500 0.000 0.000) 9.500 7.759 ( -8.616 0.000 0.000) 8.616 8.199 ( -15.821 0.000 0.000) 15.821 9.180 ( -11.259 0.000 0.000) 11.259 10.451 ( 20.171 -0.000 -0.000) 20.171 11.603 ( 20.985 -0.000 -0.000) 20.985 12.084 ( -7.636 0.000 0.000) 7.636 12.401 ( -2.227 0.000 0.000) 2.227 15.456 ( -6.890 0.000 0.000) 6.890 15.799 ( -16.153 0.000 0.000) 16.153 16.920 ( 19.857 -0.000 -0.000) 19.857 17.764 ( 6.463 -0.000 -0.000) 6.463 23.489 ( -31.365 0.000 0.000) 31.365 26.531 ( 19.564 -0.000 -0.000) 19.564 ======================= Grid point 36 (25/146) ======================= q-point: ( 0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.166 ( 0.000 0.543 3.703) 3.742 1.220 ( 0.000 -2.961 5.750) 6.468 1.772 ( -0.000 -2.276 -0.404) 2.312 1.902 ( -0.000 2.364 -5.814) 6.276 2.176 ( -0.000 2.158 -2.612) 3.388 2.207 ( 0.000 -1.187 5.397) 5.526 2.643 ( 0.000 9.281 6.926) 11.581 2.683 ( -0.000 -3.652 -3.294) 4.918 3.990 ( 0.000 12.181 21.884) 25.045 4.363 ( -0.000 -15.869 -14.490) 21.489 4.609 ( 0.000 25.999 14.988) 30.010 4.667 ( -0.000 4.519 -4.909) 6.672 5.162 ( 0.000 2.397 3.407) 4.166 5.245 ( 0.000 9.594 10.931) 14.544 6.466 ( 0.000 9.307 17.212) 19.567 6.858 ( 0.000 6.014 12.999) 14.323 7.054 ( 0.000 6.647 0.487) 6.665 8.373 ( 0.000 3.719 13.798) 14.290 8.456 ( 0.000 20.168 11.645) 23.288 9.020 ( 0.000 17.226 -0.310) 17.229 10.607 ( -0.000 -18.067 -2.299) 18.212 11.483 ( -0.000 -18.097 -12.725) 22.123 11.763 ( -0.000 13.355 -4.931) 14.236 12.413 ( 0.000 6.309 0.287) 6.316 15.257 ( 0.000 -7.223 1.463) 7.370 15.438 ( -0.000 -9.195 -1.777) 9.365 16.350 ( -0.000 -28.251 -18.947) 34.016 18.076 ( 0.000 5.656 1.802) 5.936 23.708 ( 0.000 13.479 17.393) 22.005 26.544 ( -0.000 -11.549 -8.842) 14.545 ======================= Grid point 37 (26/146) ======================= q-point: ( 0.36 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.277 ( 8.619 -3.982 -0.738) 9.522 1.364 ( 19.501 -3.351 7.915) 21.311 1.754 ( 0.584 -1.944 -0.202) 2.040 1.957 ( 10.490 0.541 -8.128) 13.282 2.174 ( 0.585 -0.019 -1.172) 1.310 2.247 ( 1.965 -1.644 1.636) 3.040 2.611 ( -0.048 -3.770 -4.635) 5.975 2.895 ( 14.952 5.320 5.452) 16.780 3.784 ( 0.667 -46.974 -32.653) 57.212 4.283 ( 6.670 7.338 16.677) 19.403 4.942 ( 5.422 16.368 7.703) 18.885 5.028 ( 12.875 23.072 8.692) 27.815 5.356 ( 9.943 10.338 3.181) 14.693 5.490 ( 10.931 8.418 9.447) 16.721 6.505 ( -12.419 4.541 16.922) 21.476 6.924 ( -6.813 6.346 1.366) 9.411 7.288 ( 8.121 13.347 12.986) 20.315 8.473 ( 0.910 6.794 5.712) 8.923 8.774 ( 5.519 18.584 12.767) 23.213 9.114 ( -9.214 14.102 3.666) 17.239 10.353 ( -6.894 -18.053 -4.497) 19.841 11.188 ( -2.874 -20.792 -13.669) 25.048 11.906 ( 5.707 10.267 -2.084) 11.930 12.470 ( -1.073 6.141 1.117) 6.333 15.203 ( 4.045 -5.087 -5.574) 8.562 15.442 ( 14.024 -14.540 -0.251) 20.203 15.998 ( 5.049 -27.424 -18.096) 33.242 18.073 ( -6.479 2.568 0.705) 7.005 23.980 ( 6.743 11.442 13.229) 18.745 26.324 ( -6.365 -11.442 -8.676) 15.707 ======================= Grid point 38 (27/146) ======================= q-point: ( 0.45 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.402 ( 10.892 -2.671 -2.878) 11.578 1.669 ( 5.241 -0.533 3.877) 6.541 1.795 ( 9.086 -2.376 5.561) 10.915 2.135 ( 0.698 -5.632 -6.102) 8.333 2.195 ( 21.752 -3.333 -5.720) 22.737 2.258 ( 2.512 0.730 -1.280) 2.912 2.577 ( 8.165 -5.498 -5.829) 11.440 3.158 ( 4.293 -44.808 -31.177) 54.756 3.288 ( 23.229 2.735 3.948) 23.720 4.593 ( 9.668 7.501 12.806) 17.712 5.174 ( 8.020 4.011 -0.819) 9.005 5.355 ( -7.157 16.338 10.942) 20.926 5.711 ( 10.156 14.396 5.774) 18.539 5.837 ( 13.416 4.601 4.526) 14.888 6.471 ( -6.965 4.525 10.078) 13.060 6.919 ( 1.003 10.645 2.420) 10.963 7.576 ( 2.369 9.688 14.356) 17.480 8.627 ( 2.768 12.999 0.813) 13.315 9.008 ( -17.206 3.987 9.649) 20.125 9.188 ( 16.168 13.803 5.815) 22.039 9.991 ( -13.013 -13.918 -6.308) 20.071 10.807 ( -6.768 -23.599 -12.916) 27.741 12.096 ( 7.229 7.214 -0.151) 10.214 12.504 ( -2.503 5.218 1.403) 5.955 15.250 ( 12.430 -2.665 -10.301) 16.362 15.546 ( 18.207 -26.075 -6.063) 32.375 15.832 ( 14.956 -13.222 -6.836) 21.101 17.912 ( -14.378 -0.721 0.070) 14.396 24.336 ( 15.105 9.996 8.913) 20.187 25.998 ( -13.579 -10.358 -8.324) 18.999 ======================= Grid point 39 (28/146) ======================= q-point: ( 0.55 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.518 ( 6.776 -1.492 -2.450) 7.358 1.673 ( -0.433 -2.823 0.040) 2.856 1.902 ( 1.389 -16.192 -12.808) 20.692 1.982 ( 6.531 -4.815 -0.437) 8.126 2.282 ( 2.057 2.159 0.149) 2.985 2.401 ( 2.111 -2.327 -0.316) 3.158 2.713 ( 4.497 -25.872 -18.373) 32.049 2.927 ( 41.304 -3.295 -5.666) 41.821 3.753 ( 27.480 0.470 3.403) 27.694 4.886 ( 7.422 7.891 6.705) 12.740 5.268 ( -3.356 -1.469 0.793) 3.748 5.301 ( -8.581 4.223 1.702) 9.714 5.916 ( -5.621 7.135 6.813) 11.354 5.937 ( -8.673 4.659 4.108) 10.668 6.455 ( -3.580 7.518 0.479) 8.341 7.232 ( 2.223 21.854 12.376) 25.213 7.852 ( 18.229 2.905 9.449) 20.737 8.657 ( -15.115 -9.224 -7.158) 19.099 8.838 ( -2.300 12.322 6.611) 14.171 9.501 ( -10.966 -2.532 -0.303) 11.258 9.773 ( 17.215 4.954 0.205) 17.915 10.352 ( -10.400 -24.438 -10.188) 28.446 12.264 ( 5.636 4.509 0.614) 7.244 12.502 ( -4.094 3.800 1.418) 5.763 15.381 ( 15.105 -12.943 -12.966) 23.744 15.507 ( 15.922 -12.130 -7.042) 21.219 16.155 ( 30.443 -5.134 2.389) 30.965 17.590 ( -22.141 -2.643 -0.051) 22.298 24.782 ( 22.201 8.015 5.214) 24.172 25.571 ( -20.714 -8.133 -7.111) 23.362 ======================= Grid point 40 (29/146) ======================= q-point: (-0.36 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.484 ( 2.017 -15.146 -11.841) 19.331 1.618 ( 1.059 -4.720 -0.906) 4.921 1.725 ( 2.747 -4.623 -4.824) 7.224 2.075 ( 3.992 0.624 0.698) 4.100 2.336 ( 1.048 1.499 -0.122) 1.833 2.364 ( -1.899 -1.516 -0.174) 2.436 2.555 ( 5.715 -9.479 -6.195) 12.684 3.599 ( 41.602 0.284 -2.321) 41.668 4.230 ( 26.604 -0.821 2.693) 26.752 4.874 ( -21.615 1.988 2.797) 21.886 5.137 ( -5.439 3.614 -3.533) 7.425 5.315 ( 5.602 -3.600 2.061) 6.971 5.729 ( -20.162 0.833 2.140) 20.292 5.777 ( -16.749 2.071 1.083) 16.911 6.548 ( 3.274 6.634 1.942) 7.648 7.412 ( -17.823 26.872 15.043) 35.581 8.106 ( -21.254 -24.411 -9.415) 33.708 8.242 ( 8.078 5.015 5.463) 10.965 9.079 ( 16.862 8.069 -2.164) 18.818 9.164 ( -17.709 -1.067 -1.732) 17.825 9.887 ( -11.725 -17.672 -5.007) 21.791 10.271 ( 27.799 3.267 1.823) 28.050 12.362 ( 1.560 1.693 0.321) 2.324 12.465 ( -4.320 2.258 1.181) 5.015 15.362 ( 9.939 -11.691 -7.237) 16.965 15.774 ( 23.299 -1.265 -3.834) 23.646 16.679 ( 32.997 -1.683 2.058) 33.104 17.145 ( -27.775 -2.321 -0.035) 27.872 25.068 ( -26.072 -3.664 -4.441) 26.700 25.280 ( 25.350 3.661 2.430) 25.728 ======================= Grid point 41 (30/146) ======================= q-point: (-0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.359 ( -0.050 0.000 0.000) 0.050 1.586 ( -2.285 0.000 0.000) 2.285 1.742 ( 2.098 -0.000 -0.000) 2.098 2.125 ( 1.213 -0.000 -0.000) 1.213 2.327 ( -0.232 0.000 0.000) 0.232 2.347 ( -1.141 0.000 0.000) 1.141 2.598 ( 6.294 -0.000 -0.000) 6.294 4.204 ( 28.285 -0.000 -0.000) 28.285 4.358 ( -22.623 0.000 0.000) 22.623 4.768 ( 20.036 -0.000 -0.000) 20.036 4.920 ( -19.238 0.000 0.000) 19.238 5.329 ( -24.785 0.000 0.000) 24.785 5.432 ( 2.935 -0.000 -0.000) 2.935 5.528 ( -11.885 0.000 0.000) 11.885 6.646 ( 2.523 -0.000 -0.000) 2.523 7.279 ( -33.934 0.000 0.000) 33.934 7.514 ( -15.840 0.000 0.000) 15.840 8.211 ( -13.196 0.000 0.000) 13.196 8.810 ( -20.268 0.000 0.000) 20.268 9.574 ( 31.653 -0.000 -0.000) 31.653 9.583 ( -12.220 0.000 0.000) 12.220 10.763 ( 28.301 -0.000 -0.000) 28.301 12.327 ( -5.913 0.000 0.000) 5.913 12.445 ( -0.584 0.000 0.000) 0.584 15.421 ( 6.531 -0.000 -0.000) 6.531 16.158 ( 24.711 -0.000 -0.000) 24.711 16.647 ( -29.746 0.000 0.000) 29.746 17.194 ( 27.443 -0.000 -0.000) 27.443 24.552 ( -30.888 0.000 0.000) 30.888 25.747 ( 26.432 -0.000 -0.000) 26.432 ======================= Grid point 48 (31/146) ======================= q-point: ( 0.36 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.117 ( -0.000 -5.743 -2.977) 6.469 1.125 ( 0.000 -10.148 0.835) 10.182 1.725 ( -0.000 -2.683 -0.103) 2.685 1.851 ( -0.000 0.140 -3.980) 3.983 2.165 ( -0.000 0.397 -2.290) 2.324 2.196 ( -0.000 -6.095 -1.029) 6.181 2.520 ( -0.000 -10.477 -7.812) 13.069 2.844 ( 0.000 5.128 3.417) 6.162 3.087 ( -0.000 -44.030 -30.604) 53.621 4.419 ( 0.000 6.459 16.130) 17.375 4.944 ( -0.000 5.939 -2.813) 6.572 5.008 ( -0.000 4.964 -2.712) 5.657 5.561 ( 0.000 19.099 12.540) 22.848 5.610 ( 0.000 16.387 10.853) 19.655 6.721 ( 0.000 -0.658 9.823) 9.845 7.225 ( 0.000 12.176 17.646) 21.439 7.354 ( 0.000 16.645 6.689) 17.939 8.485 ( -0.000 3.167 -3.652) 4.834 9.024 ( 0.000 22.028 11.433) 24.818 9.330 ( 0.000 2.948 5.917) 6.611 10.245 ( -0.000 -11.333 -2.506) 11.606 10.914 ( -0.000 -21.519 -14.802) 26.118 11.936 ( -0.000 8.459 -1.221) 8.547 12.544 ( 0.000 5.270 1.768) 5.558 15.081 ( -0.000 -8.250 -3.787) 9.077 15.127 ( -0.000 -17.537 -8.338) 19.418 15.613 ( -0.000 -20.501 -13.757) 24.689 18.148 ( -0.000 1.095 -0.164) 1.107 24.086 ( 0.000 7.298 9.574) 12.039 26.223 ( -0.000 -9.911 -7.061) 12.169 ======================= Grid point 49 (32/146) ======================= q-point: ( 0.45 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.133 ( 11.992 -7.650 -2.314) 14.411 1.338 ( 31.304 -4.778 1.132) 31.686 1.687 ( 1.081 -9.685 -2.057) 9.959 1.864 ( 4.901 -0.249 -4.910) 6.942 1.931 ( -1.255 -27.824 -23.136) 36.207 2.193 ( 3.974 -0.880 -2.492) 4.773 2.373 ( 4.199 -9.337 -4.075) 11.019 2.691 ( -1.406 -12.649 -8.806) 15.476 3.024 ( 13.823 2.803 2.312) 14.293 4.611 ( 5.295 4.786 12.910) 14.752 5.037 ( 5.866 -0.096 -7.735) 9.709 5.250 ( 30.858 2.412 -1.630) 30.995 5.748 ( -4.802 13.165 8.002) 16.137 5.862 ( 3.590 12.529 8.735) 15.690 6.704 ( -7.017 0.544 6.656) 9.687 7.199 ( -16.549 12.342 9.414) 22.689 7.750 ( 7.410 15.010 15.694) 22.945 8.552 ( 9.238 4.567 -9.800) 14.222 9.233 ( -8.542 -8.480 2.917) 12.385 9.305 ( 0.418 17.083 10.854) 20.244 10.092 ( -10.430 -1.598 -0.487) 10.563 10.583 ( -3.383 -21.929 -13.769) 26.114 12.048 ( 5.392 5.652 -0.218) 7.814 12.590 ( -1.237 3.865 1.623) 4.371 14.957 ( 8.060 -12.726 -12.471) 19.556 15.059 ( 9.337 -12.956 -2.473) 16.161 15.466 ( 9.325 -10.378 -6.215) 15.274 18.087 ( -7.481 -0.446 -0.488) 7.510 24.261 ( 8.217 5.033 5.913) 11.305 26.039 ( -7.162 -7.492 -5.426) 11.699 ======================= Grid point 50 (33/146) ======================= q-point: ( 0.55 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.302 ( 16.584 -10.601 -5.413) 20.414 1.358 ( 4.753 -26.615 -18.784) 32.921 1.722 ( -0.410 -0.332 -2.723) 2.774 1.860 ( 11.159 -1.223 8.276) 13.947 2.042 ( 34.029 -1.437 -8.615) 35.132 2.269 ( 7.789 1.779 -0.824) 8.032 2.376 ( 5.419 -5.345 -1.284) 7.719 2.547 ( -3.353 -3.437 -2.717) 5.517 3.359 ( 22.256 0.908 1.285) 22.311 4.848 ( 9.013 4.434 8.058) 12.878 5.098 ( 8.219 -2.731 -6.269) 10.692 5.640 ( -8.427 4.423 2.943) 9.962 5.885 ( 19.999 1.829 0.642) 20.093 6.048 ( 1.750 5.721 4.281) 7.357 6.615 ( -8.102 2.793 1.750) 8.747 7.201 ( 5.789 6.677 5.935) 10.645 8.006 ( -6.221 16.586 14.262) 22.742 8.608 ( 0.784 -10.429 -15.485) 18.686 9.037 ( -4.251 -1.292 6.552) 7.917 9.558 ( 6.098 11.606 7.522) 15.115 9.849 ( -17.700 1.498 -1.770) 17.851 10.218 ( -6.829 -18.572 -9.355) 21.887 12.196 ( 6.898 2.752 0.247) 7.430 12.595 ( -2.647 2.082 0.983) 3.508 14.955 ( 13.094 -10.368 -8.383) 18.687 15.144 ( 13.718 -4.717 -2.306) 14.688 15.655 ( 23.593 -3.885 -0.708) 23.921 17.886 ( -15.509 -1.007 -0.260) 15.544 24.537 ( 16.641 3.212 2.747) 17.170 25.772 ( -14.650 -4.192 -3.328) 15.597 ======================= Grid point 51 (34/146) ======================= q-point: (-0.36 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.223 ( 8.211 -0.000 -0.000) 8.211 1.500 ( 9.558 -0.000 -0.000) 9.558 1.698 ( -0.942 0.000 0.000) 0.942 1.988 ( 6.388 -0.000 -0.000) 6.388 2.317 ( 5.966 -0.000 -0.000) 5.966 2.360 ( 0.193 -0.000 -0.000) 0.193 2.452 ( -1.551 0.000 0.000) 1.551 2.854 ( 45.320 -0.000 -0.000) 45.320 3.779 ( 26.967 -0.000 -0.000) 26.967 5.060 ( 7.371 -0.000 -0.000) 7.371 5.159 ( 3.607 -0.000 -0.000) 3.607 5.384 ( -19.788 0.000 0.000) 19.788 5.999 ( -8.476 0.000 0.000) 8.476 6.030 ( -9.670 0.000 0.000) 9.670 6.553 ( -0.960 0.000 0.000) 0.960 7.670 ( 34.544 -0.000 -0.000) 34.544 8.016 ( -13.178 0.000 0.000) 13.178 8.267 ( -14.437 0.000 0.000) 14.437 9.050 ( -2.593 0.000 0.000) 2.593 9.510 ( -21.370 0.000 0.000) 21.370 9.874 ( 21.102 -0.000 -0.000) 21.102 9.946 ( -9.137 0.000 0.000) 9.137 12.313 ( 5.183 -0.000 -0.000) 5.183 12.553 ( -4.058 0.000 0.000) 4.058 15.089 ( 12.547 -0.000 -0.000) 12.547 15.394 ( 19.611 -0.000 -0.000) 19.611 16.116 ( 32.779 -0.000 -0.000) 32.779 17.559 ( -22.835 0.000 0.000) 22.835 24.895 ( 22.927 -0.000 -0.000) 22.927 25.439 ( -21.462 0.000 0.000) 21.462 ======================= Grid point 60 (35/146) ======================= q-point: ( 0.45 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.875 ( -0.000 -17.632 -7.883) 19.314 0.940 ( -0.000 -4.800 -3.691) 6.055 1.262 ( -0.000 -35.125 -22.490) 41.708 1.733 ( -0.000 -1.643 -2.920) 3.350 1.822 ( -0.000 0.123 -1.018) 1.026 2.144 ( -0.000 -0.030 -0.963) 0.963 2.285 ( 0.000 -2.206 0.404) 2.243 2.627 ( -0.000 -2.333 -1.862) 2.985 2.938 ( 0.000 1.670 1.050) 1.973 4.685 ( 0.000 3.160 10.863) 11.313 4.920 ( -0.000 -1.966 -8.831) 9.047 4.951 ( -0.000 0.467 -1.956) 2.011 5.939 ( 0.000 6.982 4.225) 8.161 5.977 ( 0.000 7.486 4.869) 8.930 6.789 ( 0.000 -0.070 2.849) 2.850 7.690 ( 0.000 7.424 4.562) 8.713 7.754 ( 0.000 13.093 18.516) 22.678 8.420 ( -0.000 1.862 -13.846) 13.970 9.180 ( -0.000 -13.713 0.688) 13.730 9.556 ( 0.000 17.142 9.108) 19.411 10.212 ( 0.000 2.711 1.719) 3.210 10.331 ( -0.000 -17.892 -11.492) 21.264 12.040 ( 0.000 2.956 -0.120) 2.958 12.638 ( 0.000 2.048 1.025) 2.290 14.680 ( -0.000 -11.265 -6.638) 13.076 14.908 ( -0.000 -3.814 -2.393) 4.502 15.275 ( -0.000 -5.470 -3.366) 6.423 18.143 ( -0.000 -0.353 -0.453) 0.574 24.252 ( 0.000 2.015 2.833) 3.477 26.018 ( -0.000 -3.949 -2.692) 4.779 ======================= Grid point 61 (36/146) ======================= q-point: (-0.45 -0.55 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.803 ( 15.508 -0.000 -0.000) 15.508 1.116 ( 7.988 -0.000 -0.000) 7.988 1.284 ( 38.749 -0.000 -0.000) 38.749 1.723 ( 0.058 -0.000 -0.000) 0.058 1.833 ( 1.980 -0.000 -0.000) 1.980 2.174 ( 3.924 -0.000 -0.000) 3.924 2.306 ( 2.779 -0.000 -0.000) 2.779 2.586 ( -2.950 0.000 0.000) 2.950 3.066 ( 13.414 -0.000 -0.000) 13.414 4.788 ( 4.863 -0.000 -0.000) 4.863 4.922 ( 6.455 -0.000 -0.000) 6.455 5.249 ( 32.735 -0.000 -0.000) 32.735 5.926 ( -7.032 0.000 0.000) 7.032 6.052 ( 2.406 -0.000 -0.000) 2.406 6.752 ( -5.446 0.000 0.000) 5.446 7.416 ( -19.961 0.000 0.000) 19.961 8.235 ( 20.656 -0.000 -0.000) 20.656 8.324 ( -4.866 0.000 0.000) 4.866 9.077 ( -2.996 0.000 0.000) 2.996 9.668 ( -2.518 0.000 0.000) 2.518 10.116 ( -11.194 0.000 0.000) 11.194 10.164 ( -4.443 0.000 0.000) 4.443 12.103 ( 5.444 -0.000 -0.000) 5.444 12.641 ( -1.246 0.000 0.000) 1.246 14.683 ( 9.167 -0.000 -0.000) 9.167 14.941 ( 7.086 -0.000 -0.000) 7.086 15.334 ( 11.777 -0.000 -0.000) 11.777 18.075 ( -7.801 0.000 0.000) 7.801 24.345 ( 8.921 -0.000 -0.000) 8.921 25.927 ( -7.557 0.000 0.000) 7.557 ======================= Grid point 135 (37/146) ======================= q-point: ( 0.09 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 146 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.576 ( 0.000 0.000 29.596) 29.596 0.576 ( 0.000 0.000 29.596) 29.596 1.039 ( 0.000 0.000 48.833) 48.833 1.923 ( 0.000 0.000 19.624) 19.624 1.923 ( 0.000 0.000 19.624) 19.624 1.927 ( -0.000 -0.000 -1.753) 1.753 1.971 ( 0.000 0.000 5.101) 5.101 2.718 ( 0.000 -0.000 9.202) 9.202 2.718 ( 0.000 -0.000 9.202) 9.202 3.294 ( 0.000 0.000 8.546) 8.546 3.294 ( 0.000 0.000 8.546) 8.546 4.450 ( 0.000 0.000 12.556) 12.556 4.450 ( 0.000 0.000 12.556) 12.556 6.014 ( 0.000 0.000 14.194) 14.194 6.014 ( 0.000 0.000 14.194) 14.194 6.736 ( -0.000 -0.000 -5.446) 5.446 7.629 ( -0.000 -0.000 -3.172) 3.172 7.863 ( 0.000 0.000 5.724) 5.724 7.863 ( 0.000 0.000 5.724) 5.724 8.753 ( -0.000 -0.000 -6.720) 6.720 10.434 ( 0.000 0.000 7.908) 7.908 11.126 ( 0.000 0.000 3.621) 3.621 12.227 ( -0.000 -0.000 -5.590) 5.590 12.227 ( -0.000 -0.000 -5.590) 5.590 15.615 ( 0.000 0.000 5.988) 5.988 15.615 ( 0.000 0.000 5.988) 5.988 17.573 ( -0.000 0.000 -1.735) 1.735 17.573 ( -0.000 0.000 -1.735) 1.735 22.795 ( 0.000 0.000 11.920) 11.920 27.086 ( -0.000 -0.000 -6.572) 6.572 ======================= Grid point 136 (38/146) ======================= q-point: ( 0.18 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.918 ( 10.731 6.195 18.321) 22.117 0.971 ( 14.719 8.498 22.189) 27.951 1.583 ( 20.971 12.108 23.848) 33.987 1.881 ( -2.255 -1.302 -0.256) 2.616 1.934 ( 5.540 3.199 14.159) 15.537 2.097 ( 3.769 2.176 12.814) 13.533 2.213 ( 6.474 3.738 10.114) 12.576 2.799 ( 5.778 3.336 6.879) 9.583 3.018 ( 10.629 6.137 15.874) 20.065 3.463 ( 11.036 6.372 12.365) 17.757 3.493 ( 10.919 6.304 16.112) 20.458 4.480 ( 1.222 0.706 30.333) 30.366 4.748 ( 14.492 8.367 15.150) 22.573 6.027 ( -5.247 -3.029 14.824) 16.015 6.118 ( 1.636 0.945 15.121) 15.239 6.674 ( -1.457 -0.841 -7.391) 7.580 7.159 ( -30.471 -17.593 17.062) 39.104 7.752 ( 1.867 1.078 3.411) 4.035 7.956 ( 0.990 0.572 11.418) 11.475 8.728 ( 2.495 1.441 -8.260) 8.748 11.071 ( 31.110 17.962 -14.042) 38.570 11.091 ( -5.509 -3.181 3.399) 7.212 12.159 ( -3.322 -1.918 -6.232) 7.318 12.183 ( 0.938 0.541 -7.427) 7.506 15.432 ( -11.860 -6.847 13.425) 19.177 15.716 ( 3.245 1.874 9.560) 10.268 17.480 ( -0.922 -0.533 -7.487) 7.562 17.630 ( 0.636 0.367 1.533) 1.700 22.895 ( 2.887 1.667 23.268) 23.506 26.988 ( -4.373 -2.525 -8.731) 10.086 ======================= Grid point 137 (39/146) ======================= q-point: ( 0.27 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.237 ( 10.587 6.113 6.286) 13.747 1.419 ( 13.870 8.008 13.583) 21.000 1.828 ( -2.107 -1.216 -1.125) 2.680 1.999 ( 15.201 8.777 -5.065) 18.269 2.245 ( 4.502 2.599 2.056) 5.590 2.246 ( 3.622 2.091 5.982) 7.299 2.504 ( 16.837 9.721 10.492) 22.092 3.060 ( 14.071 8.124 17.390) 23.799 3.342 ( 9.297 5.368 20.623) 23.250 3.885 ( 16.366 9.449 15.782) 24.621 3.968 ( 18.394 10.620 21.119) 29.952 4.901 ( 15.195 8.773 28.627) 33.576 5.185 ( 14.317 8.266 10.634) 19.657 5.972 ( -7.846 -4.530 11.638) 14.749 6.246 ( 0.377 0.217 -0.647) 0.780 6.595 ( -1.222 -0.706 -5.838) 6.006 6.832 ( -5.929 -3.423 18.955) 20.154 7.862 ( 6.437 3.716 1.440) 7.571 8.057 ( -0.543 -0.313 17.400) 17.412 8.783 ( 8.430 4.867 -8.194) 12.724 10.918 ( -11.340 -6.547 0.191) 13.096 11.502 ( 15.743 9.089 -8.303) 19.985 12.010 ( -5.778 -3.336 -6.174) 9.090 12.175 ( 2.506 1.447 -6.669) 7.270 15.355 ( -1.382 -0.798 7.200) 7.375 15.896 ( 6.559 3.787 13.070) 15.106 17.413 ( 0.168 0.097 -12.697) 12.698 17.611 ( -3.942 -2.276 2.894) 5.394 23.233 ( 12.814 7.398 24.115) 28.292 26.771 ( -9.589 -5.536 -10.968) 15.585 ======================= Grid point 138 (40/146) ======================= q-point: ( 0.36 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.453 ( 6.727 3.884 1.790) 7.971 1.728 ( 6.879 3.972 4.671) 9.215 1.782 ( -0.251 -0.145 0.872) 0.918 2.222 ( -0.724 -0.418 3.328) 3.432 2.319 ( 10.915 6.302 -8.303) 15.093 2.331 ( 2.288 1.321 0.721) 2.739 2.852 ( 18.846 10.881 -13.984) 25.867 3.667 ( 23.482 13.557 25.263) 37.059 3.742 ( 13.028 7.522 24.249) 28.536 4.343 ( 15.827 9.138 13.860) 22.937 4.491 ( 14.954 8.633 20.590) 26.872 5.316 ( 7.172 4.141 7.917) 11.457 5.433 ( 4.385 2.532 2.400) 5.603 5.819 ( -10.713 -6.185 3.171) 12.770 6.078 ( -8.711 -5.029 -0.719) 10.084 6.544 ( -3.357 -1.938 2.937) 4.864 7.150 ( 16.696 9.639 17.300) 25.903 8.080 ( 13.989 8.077 0.415) 16.159 8.145 ( -2.936 -1.695 19.067) 19.366 9.046 ( 19.900 11.489 -4.935) 23.502 10.591 ( -16.701 -9.642 -5.192) 19.971 11.581 ( -6.859 -3.960 -5.943) 9.902 11.946 ( 5.565 3.213 -2.615) 6.938 12.198 ( 2.683 1.549 -4.425) 5.402 15.455 ( 8.606 4.969 -1.650) 10.074 16.185 ( 10.845 6.261 16.249) 20.514 17.290 ( -3.061 -1.767 -17.163) 17.523 17.484 ( -9.358 -5.403 2.491) 11.089 23.754 ( 20.491 11.830 20.495) 31.303 26.413 ( -15.630 -9.024 -13.276) 22.405 ======================= Grid point 139 (41/146) ======================= q-point: ( 0.45 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.577 ( 4.095 2.364 0.706) 4.781 1.716 ( -1.832 -1.058 -1.816) 2.788 1.909 ( 3.932 2.270 3.476) 5.718 2.157 ( -4.555 -2.630 1.589) 5.495 2.373 ( 2.165 1.250 -1.754) 3.053 2.461 ( 3.701 2.137 -1.521) 4.537 3.256 ( 28.430 16.414 -23.955) 40.639 4.158 ( 8.824 5.095 18.182) 20.842 4.277 ( 17.317 9.998 13.760) 24.273 4.736 ( 12.517 7.227 4.539) 15.149 4.865 ( 7.988 4.612 18.516) 20.687 5.256 ( -5.962 -3.442 -11.979) 13.816 5.475 ( -0.619 -0.358 -4.355) 4.413 5.544 ( -13.078 -7.550 0.677) 15.116 6.035 ( -0.630 -0.364 13.810) 13.829 6.447 ( -9.382 -5.417 10.683) 15.215 7.561 ( 9.681 5.589 12.391) 16.688 8.163 ( -6.505 -3.756 17.964) 19.472 8.535 ( 26.433 15.261 0.398) 30.525 9.562 ( 26.341 15.208 -3.031) 30.567 10.125 ( -19.451 -11.230 -10.148) 24.646 11.251 ( -17.406 -10.049 -5.629) 20.872 12.099 ( 6.724 3.882 1.048) 7.834 12.225 ( 1.554 0.897 -2.234) 2.866 15.703 ( 16.835 9.720 -9.710) 21.730 16.580 ( 14.204 8.201 18.146) 24.460 17.039 ( -8.285 -4.783 -20.758) 22.856 17.225 ( -15.030 -8.678 0.720) 17.371 24.389 ( 25.689 14.832 15.757) 33.588 25.905 ( -21.706 -12.532 -15.154) 29.289 ======================= Grid point 140 (42/146) ======================= q-point: ( 0.55 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.654 ( 2.774 1.602 0.210) 3.210 1.658 ( -2.412 -1.392 -2.070) 3.470 1.992 ( 2.789 1.610 1.255) 3.456 2.064 ( -4.554 -2.629 1.206) 5.395 2.406 ( 2.022 1.167 -2.573) 3.474 2.487 ( -0.437 -0.252 0.145) 0.525 3.725 ( 24.695 14.258 -21.484) 35.703 4.237 ( -8.023 -4.632 2.836) 9.689 4.391 ( -3.399 -1.963 -28.575) 28.843 4.936 ( 8.309 4.797 3.339) 10.159 5.094 ( -12.236 -7.064 -9.467) 17.007 5.218 ( 5.473 3.160 17.948) 19.028 5.261 ( 6.634 3.830 5.960) 9.706 5.448 ( -8.936 -5.159 6.301) 12.090 6.123 ( 0.206 0.119 12.455) 12.457 6.315 ( -9.117 -5.264 16.009) 19.161 7.764 ( 3.486 2.013 8.580) 9.477 8.087 ( -10.859 -6.269 16.153) 20.449 9.167 ( 28.714 16.578 -0.005) 33.156 9.452 ( -23.686 -13.675 -17.897) 32.686 10.261 ( 27.676 15.979 0.029) 31.957 10.768 ( -22.929 -13.238 -4.439) 26.845 12.232 ( -0.263 -0.152 -0.588) 0.662 12.232 ( 4.022 2.322 2.851) 5.449 16.052 ( 21.719 12.539 -15.748) 29.613 16.666 ( -11.936 -6.891 -22.290) 26.207 16.824 ( -18.789 -10.848 -2.404) 21.828 17.035 ( 13.626 7.867 18.448) 24.246 25.073 ( 27.420 15.831 11.359) 33.638 25.265 ( -26.586 -15.350 -15.638) 34.453 ======================= Grid point 141 (43/146) ======================= q-point: (-0.36 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.577 ( -3.503 -2.022 -2.918) 4.987 1.706 ( 2.059 1.189 -0.341) 2.402 1.971 ( -4.838 -2.793 1.067) 5.687 2.063 ( 3.291 1.900 -0.244) 3.808 2.424 ( 1.119 0.646 -2.750) 3.038 2.449 ( -2.967 -1.713 -0.675) 3.492 3.687 ( -13.003 -7.507 -28.712) 32.401 3.934 ( -16.365 -9.448 -6.382) 19.945 4.373 ( 18.894 10.908 -20.236) 29.757 4.593 ( -22.403 -12.934 -10.159) 27.792 5.102 ( 5.881 3.395 -4.963) 8.411 5.137 ( -22.153 -12.790 6.830) 26.476 5.406 ( 2.625 1.515 2.264) 3.783 5.549 ( 6.970 4.024 17.342) 19.119 6.220 ( 2.535 1.464 8.898) 9.367 6.267 ( -6.055 -3.496 17.743) 19.071 7.854 ( 0.326 0.188 6.513) 6.524 7.861 ( -18.258 -10.541 8.270) 22.646 8.789 ( -23.378 -13.497 -16.257) 31.512 9.758 ( 24.587 14.195 -1.886) 28.454 10.200 ( -25.712 -14.845 -1.788) 29.744 10.857 ( 25.360 14.642 -0.338) 29.285 12.204 ( -2.236 -1.291 0.452) 2.621 12.315 ( 1.593 0.920 3.664) 4.099 16.247 ( -11.123 -6.422 -21.320) 24.890 16.336 ( -21.699 -12.528 -5.445) 25.640 16.440 ( 21.932 12.662 -18.205) 31.189 17.438 ( 11.062 6.387 16.645) 20.981 24.546 ( -29.086 -16.793 -13.634) 36.247 25.726 ( 25.438 14.687 7.637) 30.350 ======================= Grid point 142 (44/146) ======================= q-point: (-0.27 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.455 ( -5.661 -3.268 -4.404) 7.882 1.744 ( 1.539 0.889 -0.696) 1.909 1.829 ( -9.087 -5.246 -1.428) 10.589 2.123 ( 2.215 1.279 -1.989) 3.240 2.336 ( -5.739 -3.313 -4.694) 8.120 2.421 ( 0.251 0.145 -2.169) 2.189 3.199 ( -10.901 -6.294 -25.452) 28.394 3.476 ( -19.033 -10.989 -12.714) 25.390 4.007 ( -25.505 -14.725 -3.622) 29.673 4.500 ( -7.120 -4.111 1.927) 8.445 4.606 ( -29.399 -16.974 8.562) 35.011 5.229 ( 16.138 9.318 -19.919) 27.277 5.393 ( -3.629 -2.095 -3.478) 5.446 5.632 ( -12.251 -7.073 15.890) 21.275 6.261 ( -2.562 -1.479 7.970) 8.501 6.350 ( 5.248 3.030 3.708) 7.105 7.360 ( -24.954 -14.407 -6.060) 29.445 7.867 ( -2.778 -1.604 6.003) 6.806 8.305 ( -14.836 -8.565 -1.961) 17.243 9.620 ( -23.006 -13.282 -1.886) 26.632 10.251 ( 19.138 11.050 -0.168) 22.100 11.361 ( 20.279 11.708 -0.633) 23.425 12.139 ( -3.786 -2.186 0.521) 4.402 12.354 ( -0.214 -0.123 3.674) 3.682 15.827 ( -19.830 -11.449 -7.057) 23.961 15.898 ( -8.435 -4.870 -16.164) 18.872 16.792 ( 20.289 11.714 -18.639) 29.938 17.717 ( 4.878 2.817 13.570) 14.693 23.829 ( -28.523 -16.468 -8.394) 33.988 26.279 ( 20.691 11.946 4.360) 24.287 ======================= Grid point 143 (45/146) ======================= q-point: (-0.18 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.251 ( -10.190 -5.883 -5.667) 13.059 1.489 ( -17.767 -10.258 -8.188) 22.089 1.777 ( 1.363 0.787 -1.233) 2.000 2.107 ( -2.205 -1.273 -3.404) 4.251 2.165 ( -5.967 -3.445 -4.790) 8.392 2.401 ( -2.519 -1.454 -2.232) 3.666 2.921 ( -21.658 -12.504 -16.656) 30.047 2.933 ( -2.759 -1.593 -12.303) 12.709 3.484 ( -20.848 -12.036 5.443) 24.680 3.991 ( -30.786 -17.774 10.543) 37.079 4.138 ( -23.810 -13.747 3.724) 27.744 5.137 ( -38.992 -22.512 8.654) 45.848 5.164 ( -11.785 -6.804 -9.714) 16.720 5.531 ( 16.254 9.384 -9.088) 20.853 6.189 ( -5.381 -3.107 -7.450) 9.701 6.496 ( 7.231 4.175 -1.491) 8.482 6.921 ( -10.748 -6.205 4.517) 13.207 7.821 ( -4.599 -2.655 6.306) 8.244 8.044 ( -10.671 -6.161 4.082) 12.980 9.184 ( -15.168 -8.757 -0.637) 17.526 10.620 ( 14.368 8.295 -0.359) 16.595 11.737 ( 13.698 7.909 -0.589) 15.828 12.050 ( -3.428 -1.979 -2.049) 4.458 12.357 ( -1.363 -0.787 2.762) 3.179 15.399 ( -14.575 -8.415 -5.447) 17.690 15.673 ( -4.216 -2.434 -9.630) 10.790 17.083 ( 16.276 9.397 -16.144) 24.776 17.829 ( -1.619 -0.935 10.068) 10.241 23.204 ( -24.891 -14.371 0.229) 28.742 26.690 ( 14.754 8.518 1.283) 17.085 ======================= Grid point 144 (46/146) ======================= q-point: (-0.09 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( -15.851 -9.152 -2.207) 18.436 1.018 ( -19.031 -10.988 -4.606) 22.452 1.782 ( -0.863 -0.499 0.560) 1.144 1.945 ( -19.771 -11.415 -5.644) 23.517 2.024 ( -4.979 -2.875 -0.117) 5.750 2.066 ( -18.080 -10.439 2.794) 21.063 2.497 ( -6.542 -3.777 -24.282) 25.430 2.842 ( -1.968 -1.136 -5.571) 6.016 3.157 ( -14.083 -8.131 8.104) 18.169 3.469 ( -21.657 -12.503 19.848) 31.926 3.620 ( -22.289 -12.868 3.278) 25.945 4.229 ( -42.411 -24.486 14.896) 51.188 4.786 ( -16.164 -9.332 -4.556) 19.213 5.786 ( 8.438 4.872 2.362) 10.026 5.976 ( -9.140 -5.277 -2.145) 10.770 6.640 ( 7.108 4.104 -4.376) 9.301 6.876 ( -0.027 -0.016 8.897) 8.897 7.773 ( -2.514 -1.451 5.142) 5.905 7.862 ( -8.327 -4.807 4.054) 10.434 8.935 ( -7.057 -4.075 -2.088) 8.412 10.884 ( 9.530 5.502 0.616) 11.022 11.842 ( -4.384 -2.531 -8.069) 9.526 12.062 ( 8.186 4.726 -5.087) 10.734 12.332 ( -1.906 -1.101 0.735) 2.321 15.140 ( -7.209 -4.162 3.242) 8.933 15.575 ( -1.096 -0.633 -3.269) 3.505 17.302 ( 11.935 6.891 -11.743) 18.106 17.795 ( -5.878 -3.394 6.354) 9.298 22.760 ( -18.224 -10.522 12.207) 24.328 26.950 ( 9.037 5.218 -1.627) 10.561 ======================= Grid point 147 (47/146) ======================= q-point: ( 0.18 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.039 ( 0.000 2.648 23.275) 23.426 1.040 ( 0.000 7.101 24.591) 25.596 1.689 ( 0.000 10.530 12.363) 16.240 1.875 ( -0.000 -2.190 -1.578) 2.699 2.060 ( 0.000 0.296 20.584) 20.586 2.173 ( 0.000 -0.610 17.203) 17.214 2.234 ( 0.000 3.212 16.724) 17.030 2.768 ( 0.000 -1.457 5.237) 5.436 3.209 ( 0.000 19.215 20.565) 28.145 3.518 ( 0.000 10.188 16.157) 19.101 3.631 ( 0.000 14.268 19.928) 24.509 4.645 ( 0.000 5.244 10.313) 11.569 4.796 ( 0.000 9.019 29.826) 31.160 6.099 ( -0.000 -15.313 0.926) 15.341 6.119 ( 0.000 -6.234 18.654) 19.668 6.642 ( -0.000 1.215 -2.689) 2.951 7.340 ( 0.000 -22.455 8.214) 23.910 7.870 ( 0.000 2.533 10.005) 10.321 8.007 ( 0.000 3.984 19.999) 20.392 8.670 ( -0.000 3.273 -9.764) 10.298 11.002 ( -0.000 31.045 -5.269) 31.489 11.114 ( 0.000 -7.155 3.508) 7.969 12.045 ( -0.000 -7.078 -10.272) 12.474 12.194 ( -0.000 4.818 -6.712) 8.262 15.592 ( 0.000 -12.542 15.723) 20.112 15.659 ( 0.000 -3.664 7.316) 8.182 17.318 ( -0.000 -15.290 -7.925) 17.221 17.717 ( 0.000 9.913 0.398) 9.921 23.076 ( 0.000 8.402 22.367) 23.893 26.927 ( -0.000 -4.412 -10.755) 11.625 ======================= Grid point 148 (48/146) ======================= q-point: ( 0.27 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.211 ( 4.069 1.414 13.647) 14.311 1.363 ( 11.389 3.603 18.657) 22.153 1.831 ( -1.144 -1.968 -1.610) 2.788 1.858 ( 7.419 5.732 -1.414) 9.482 2.197 ( 4.216 -1.651 6.401) 7.841 2.254 ( 1.854 0.887 10.247) 10.451 2.498 ( 5.770 6.480 15.801) 18.026 2.894 ( 13.856 -5.530 12.706) 19.596 3.558 ( 1.927 19.200 23.813) 30.649 3.898 ( 12.299 18.389 19.013) 29.171 4.012 ( 9.712 17.055 23.734) 30.798 4.870 ( 13.108 4.470 9.202) 16.627 5.174 ( 7.755 9.963 26.269) 29.146 5.862 ( 3.181 -27.740 -10.256) 29.746 6.203 ( 1.035 -2.456 14.505) 14.748 6.674 ( -1.818 8.395 0.578) 8.609 7.100 ( -10.874 -11.667 14.435) 21.511 7.930 ( -3.910 10.481 8.007) 13.758 8.240 ( 0.210 7.486 23.821) 24.970 8.663 ( 2.804 5.153 -10.185) 11.753 10.984 ( -6.608 -11.088 0.076) 12.908 11.354 ( 12.007 19.249 -4.152) 23.064 11.896 ( 0.790 -10.839 -10.906) 15.397 12.196 ( -1.493 7.603 -5.660) 9.596 15.449 ( -7.311 -7.733 9.803) 14.469 15.815 ( 11.308 -6.530 12.071) 17.783 17.127 ( 5.204 -20.240 -11.614) 23.909 17.784 ( -4.437 10.447 -0.172) 11.352 23.356 ( 3.972 11.875 23.829) 26.919 26.757 ( -5.119 -6.458 -12.672) 15.116 ======================= Grid point 149 (49/146) ======================= q-point: ( 0.36 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.377 ( 7.196 2.906 1.691) 7.943 1.668 ( 9.120 1.862 8.999) 12.947 1.790 ( -0.501 -0.597 -0.078) 0.783 2.069 ( 14.404 7.752 -8.982) 18.661 2.260 ( 2.742 -1.932 1.162) 3.550 2.308 ( -0.223 -1.245 3.667) 3.879 2.667 ( 5.691 2.668 -2.220) 6.666 3.332 ( 27.880 -7.382 26.023) 38.845 3.952 ( 5.094 16.431 23.530) 29.147 4.390 ( 8.834 20.788 16.659) 28.066 4.539 ( 12.572 16.686 23.145) 31.180 5.062 ( 11.135 -18.481 -13.146) 25.266 5.493 ( 3.696 5.245 17.931) 19.045 5.683 ( 7.014 -14.361 0.688) 15.997 6.288 ( -1.691 1.618 11.242) 11.483 6.644 ( -7.581 5.539 -1.806) 9.561 7.152 ( 7.859 4.392 19.399) 21.386 8.054 ( 0.456 12.673 4.852) 13.578 8.429 ( -8.145 11.036 22.629) 26.461 8.793 ( 15.532 6.814 -6.268) 18.082 10.683 ( -12.629 -14.043 -6.124) 19.854 11.561 ( -0.918 -2.574 -7.707) 8.177 11.807 ( 9.196 -0.553 -3.463) 9.841 12.221 ( -1.312 8.714 -3.690) 9.553 15.384 ( 1.497 -2.917 1.675) 3.682 16.065 ( 15.836 -6.269 14.920) 22.642 16.933 ( 7.589 -25.094 -15.198) 30.303 17.746 ( -11.033 9.321 -2.320) 14.628 23.752 ( 11.334 13.158 21.465) 27.611 26.460 ( -11.333 -8.564 -14.634) 20.394 ======================= Grid point 150 (50/146) ======================= q-point: ( 0.45 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.516 ( 6.184 2.464 -1.672) 6.864 1.717 ( -0.975 -1.386 -1.325) 2.151 1.891 ( 4.641 2.270 4.543) 6.880 2.231 ( -4.439 -1.490 1.315) 4.863 2.269 ( 7.400 -0.797 -3.994) 8.447 2.387 ( 8.013 5.913 -5.830) 11.540 2.822 ( 18.373 6.581 -15.568) 24.965 3.915 ( 29.113 -8.792 25.427) 39.641 4.231 ( 4.159 -5.678 3.251) 7.753 4.746 ( 2.147 8.227 1.487) 8.631 4.825 ( 9.155 -11.223 -0.662) 14.499 5.052 ( 9.028 10.437 17.330) 22.154 5.619 ( -4.981 9.303 4.010) 11.288 5.687 ( -3.551 -4.168 6.046) 8.157 6.255 ( -10.792 3.821 10.226) 15.350 6.638 ( -3.832 3.238 7.999) 9.442 7.553 ( 14.551 7.238 17.658) 23.999 8.283 ( 12.034 12.574 0.976) 17.432 8.478 ( -11.594 8.554 16.599) 21.980 9.231 ( 26.378 12.072 -0.466) 29.013 10.226 ( -17.276 -15.530 -12.567) 26.412 11.292 ( -8.920 -16.551 -9.043) 20.863 12.020 ( 9.070 5.881 1.681) 10.940 12.260 ( -1.646 7.615 -1.793) 7.995 15.470 ( 11.325 2.158 -7.058) 13.518 16.419 ( 20.700 -5.264 16.883) 27.226 16.683 ( 6.168 -28.317 -18.369) 34.312 17.554 ( -18.389 6.527 -5.452) 20.261 24.262 ( 19.112 13.797 16.785) 28.938 26.023 ( -18.136 -10.292 -16.161) 26.382 ======================= Grid point 151 (51/146) ======================= q-point: ( 0.55 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.607 ( 3.971 0.949 -1.655) 4.406 1.673 ( -1.808 -0.674 -1.308) 2.332 1.981 ( 2.060 1.831 1.310) 3.052 2.137 ( -5.188 -1.918 0.798) 5.588 2.330 ( 4.996 -1.203 -2.686) 5.798 2.470 ( 1.540 0.086 -1.550) 2.187 3.220 ( 30.977 15.661 -28.012) 44.604 3.913 ( 2.672 -35.798 -27.472) 45.203 4.409 ( 12.231 -3.035 14.765) 19.412 4.792 ( 2.145 -1.758 6.715) 7.265 4.957 ( 5.837 -0.112 2.757) 6.456 5.398 ( 4.052 9.112 14.416) 17.529 5.506 ( -17.407 7.412 0.138) 18.919 5.622 ( -8.068 4.871 5.682) 11.005 6.244 ( -3.042 0.715 14.066) 14.409 6.610 ( -11.642 5.160 13.132) 18.293 7.870 ( 1.274 7.455 15.331) 17.095 8.404 ( -15.608 2.083 17.970) 23.893 8.774 ( 30.907 11.235 -5.122) 33.282 9.538 ( -14.118 -10.590 -17.406) 24.788 9.943 ( 22.410 8.839 -1.060) 24.113 10.867 ( -13.739 -21.055 -7.299) 26.180 12.208 ( 5.442 4.656 3.156) 7.826 12.281 ( -2.691 5.468 -0.492) 6.114 15.699 ( 19.253 6.444 -14.230) 24.793 16.357 ( 2.888 -27.566 -20.398) 34.413 16.855 ( 22.571 -3.901 16.901) 28.466 17.194 ( -24.269 2.950 -8.442) 25.864 24.855 ( 24.538 13.362 11.738) 30.306 25.459 ( -24.265 -10.913 -15.968) 31.030 ======================= Grid point 152 (52/146) ======================= q-point: (-0.36 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.593 ( -2.527 -1.887 -2.720) 4.165 1.677 ( 2.095 1.169 -0.888) 2.558 2.019 ( -0.300 -1.931 -2.564) 3.224 2.050 ( -2.157 0.810 1.426) 2.709 2.374 ( 2.944 -0.248 -2.768) 4.048 2.442 ( -1.181 -4.530 -1.032) 4.794 3.306 ( 1.998 -31.429 -29.403) 43.085 3.831 ( 32.150 14.647 -27.895) 45.015 4.300 ( -21.413 4.810 -6.436) 22.871 4.831 ( -15.462 -1.068 -7.183) 17.083 5.026 ( 10.635 -6.430 7.227) 14.376 5.338 ( -4.015 1.165 4.856) 6.407 5.460 ( -16.359 -2.758 8.079) 18.452 5.630 ( 1.446 1.676 15.806) 15.961 6.327 ( -2.160 5.120 14.227) 15.274 6.562 ( -11.925 7.348 13.037) 19.136 7.970 ( -6.258 3.233 10.232) 12.422 8.179 ( -20.582 -5.751 8.102) 22.854 8.940 ( -21.394 -10.491 -15.079) 28.198 9.386 ( 31.090 9.483 -4.773) 32.852 10.352 ( -17.263 -23.251 -4.225) 29.265 10.525 ( 28.873 12.002 -0.621) 31.275 12.265 ( -3.983 2.910 0.120) 4.935 12.331 ( 2.191 3.308 3.592) 5.353 16.004 ( 2.016 -17.437 -20.593) 27.059 16.027 ( 21.805 4.062 -17.464) 28.230 16.697 ( -27.731 1.051 -11.753) 30.137 17.304 ( 20.420 -3.280 15.847) 26.055 24.805 ( -28.372 -10.846 -13.345) 33.177 25.476 ( 25.886 12.084 7.727) 29.594 ======================= Grid point 153 (53/146) ======================= q-point: (-0.27 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.488 ( -4.822 -2.634 -4.585) 7.156 1.711 ( 2.122 -0.543 -1.619) 2.724 1.870 ( -5.709 -10.965 -5.821) 13.664 2.088 ( 1.619 2.228 -1.406) 3.092 2.317 ( -3.669 -6.044 -3.681) 7.972 2.393 ( 1.273 -0.870 -2.847) 3.238 2.916 ( 2.191 -17.999 -17.407) 25.135 3.846 ( -27.827 6.583 -12.596) 31.246 4.264 ( -3.678 0.039 -9.318) 10.018 4.458 ( -0.040 11.644 -15.701) 19.547 5.010 ( -24.141 -9.981 7.465) 27.169 5.069 ( -5.411 -2.560 -1.727) 6.230 5.419 ( -1.689 -0.375 3.871) 4.240 5.766 ( 5.088 -4.877 14.734) 16.333 6.391 ( -13.963 2.621 17.354) 22.427 6.514 ( -6.207 9.283 1.538) 11.272 7.568 ( -24.716 -16.650 -12.516) 32.323 8.003 ( -8.450 0.636 10.110) 13.192 8.518 ( -17.425 -3.433 2.463) 17.930 9.730 ( -7.301 -14.089 -8.947) 18.217 10.006 ( 15.504 0.520 3.312) 15.863 11.074 ( 25.393 9.543 -1.885) 27.192 12.204 ( -5.291 0.492 -0.336) 5.324 12.393 ( -0.284 1.823 3.246) 3.734 15.709 ( -1.119 -14.225 -14.843) 20.589 16.154 ( -24.321 1.313 -14.119) 28.153 16.400 ( 22.044 9.540 -17.962) 29.993 17.658 ( 13.751 -3.073 12.690) 18.962 24.149 ( -30.264 -9.091 -6.864) 32.337 26.035 ( 23.956 9.036 3.929) 25.903 ======================= Grid point 154 (54/146) ======================= q-point: (-0.18 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.302 ( -7.679 -7.450 -7.671) 13.164 1.524 ( -8.876 -13.724 -7.970) 18.184 1.759 ( 0.601 1.302 -0.096) 1.437 2.099 ( -0.947 0.441 -1.304) 1.671 2.205 ( -4.719 0.472 -1.876) 5.100 2.380 ( 0.606 -1.465 -2.832) 3.246 2.788 ( 2.137 -4.473 -5.827) 7.651 3.330 ( -30.773 9.419 -18.455) 37.098 3.798 ( -26.453 -7.237 2.498) 27.539 4.451 ( -22.037 -8.532 8.291) 25.043 4.476 ( -29.265 -10.023 11.500) 33.002 5.161 ( 18.375 13.744 -22.868) 32.396 5.317 ( -11.355 -2.791 2.597) 11.978 5.762 ( -26.207 3.141 7.363) 27.403 6.082 ( -5.542 -12.027 -6.930) 14.947 6.566 ( -3.886 7.561 6.260) 10.557 7.071 ( -12.005 -6.084 -1.752) 13.572 7.913 ( -6.914 -6.702 11.302) 14.848 8.256 ( -15.319 -3.500 7.495) 17.409 9.310 ( -14.028 -13.097 -3.517) 19.511 10.401 ( 19.735 5.133 -0.016) 20.391 11.519 ( 20.384 7.223 -2.983) 21.830 12.092 ( -6.475 -1.484 -2.789) 7.205 12.402 ( -1.917 0.302 2.068) 2.836 15.485 ( -6.807 -5.866 -7.849) 11.931 15.738 ( -14.710 2.503 -10.007) 17.967 16.747 ( 20.980 10.132 -16.818) 28.734 17.853 ( 5.028 -3.865 9.015) 11.022 23.564 ( -28.719 -6.789 2.773) 29.640 26.479 ( 19.314 5.452 0.306) 20.071 ======================= Grid point 155 (55/146) ======================= q-point: (-0.09 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( -11.037 -0.968 2.930) 11.460 1.245 ( -13.804 -0.885 -0.256) 13.834 1.782 ( 0.669 0.590 0.998) 1.339 2.058 ( -4.608 1.301 0.854) 4.864 2.107 ( -6.871 0.394 -0.499) 6.900 2.309 ( -7.861 -1.042 -3.023) 8.486 2.691 ( -23.038 6.152 -9.623) 25.713 2.845 ( -8.844 4.247 -11.777) 15.328 3.401 ( -17.909 -6.833 11.024) 22.112 3.929 ( -29.723 -9.296 18.221) 36.081 4.012 ( -28.753 -6.366 8.534) 30.661 4.861 ( -40.228 -11.455 7.584) 42.509 5.089 ( -21.940 7.998 -5.082) 23.899 5.648 ( 13.590 12.400 -8.478) 20.257 6.021 ( 0.874 -4.373 1.575) 4.730 6.593 ( -2.409 1.516 6.757) 7.332 6.948 ( -2.992 -0.445 1.833) 3.537 7.827 ( -3.464 -8.065 12.467) 15.247 8.035 ( -12.789 -3.670 7.398) 15.224 9.007 ( -9.328 -4.882 -4.336) 11.386 10.728 ( 14.807 2.874 0.560) 15.094 11.844 ( 12.139 6.443 -3.854) 14.273 11.916 ( -6.212 -3.556 -9.345) 11.772 12.365 ( -2.813 -1.200 -0.110) 3.060 15.272 ( -9.631 0.138 0.214) 9.634 15.605 ( -3.059 4.558 -1.932) 5.820 17.061 ( 16.601 10.593 -12.700) 23.433 17.873 ( -2.581 -5.406 5.387) 8.056 23.124 ( -23.666 -4.891 13.853) 27.855 26.781 ( 13.853 2.143 -3.156) 14.369 ======================= Grid point 159 (56/146) ======================= q-point: ( 0.27 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.278 ( 0.000 -4.243 16.474) 17.012 1.397 ( 0.000 -2.246 21.174) 21.292 1.808 ( -0.000 -2.139 -1.725) 2.748 1.828 ( -0.000 2.607 -1.563) 3.040 2.186 ( 0.000 -1.833 4.997) 5.322 2.315 ( 0.000 -4.114 11.097) 11.835 2.623 ( 0.000 2.843 21.796) 21.981 2.746 ( 0.000 -4.743 0.903) 4.828 3.889 ( 0.000 16.943 25.661) 30.750 4.106 ( 0.000 22.873 19.501) 30.058 4.279 ( 0.000 20.953 24.010) 31.867 4.790 ( -0.000 -2.978 -4.225) 5.169 5.389 ( 0.000 1.694 33.459) 33.502 5.419 ( -0.000 -31.017 -14.467) 34.225 6.337 ( 0.000 8.199 15.353) 17.405 6.780 ( 0.000 8.357 4.633) 9.555 7.106 ( 0.000 -11.664 5.075) 12.720 8.168 ( 0.000 15.039 8.759) 17.403 8.411 ( 0.000 1.827 13.181) 13.308 8.732 ( 0.000 14.592 6.916) 16.148 10.914 ( -0.000 -15.201 -1.724) 15.299 11.426 ( -0.000 18.993 -1.668) 19.066 11.691 ( -0.000 -12.558 -14.190) 18.948 12.255 ( -0.000 8.842 -3.942) 9.681 15.536 ( 0.000 -14.990 13.818) 20.387 15.633 ( 0.000 -9.062 6.163) 10.959 16.770 ( -0.000 -26.358 -14.071) 29.879 17.920 ( 0.000 10.392 -0.790) 10.422 23.596 ( 0.000 12.102 22.209) 25.292 26.648 ( -0.000 -7.329 -13.827) 15.649 ======================= Grid point 160 (57/146) ======================= q-point: ( 0.36 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.322 ( 1.630 -4.445 7.409) 8.792 1.581 ( 9.633 -4.397 15.319) 18.622 1.782 ( 0.224 -1.172 -0.238) 1.216 1.884 ( 6.973 2.031 -5.199) 8.932 2.204 ( 1.463 -2.480 2.600) 3.879 2.327 ( -0.279 -3.484 5.960) 6.909 2.639 ( -1.525 -1.533 -0.117) 2.166 3.005 ( 21.177 -6.233 20.679) 30.248 4.180 ( -0.783 7.157 18.822) 20.152 4.458 ( 10.622 -20.040 -11.831) 25.581 4.642 ( 3.751 17.627 12.433) 21.894 4.721 ( 9.273 14.975 16.644) 24.233 5.336 ( 15.064 -5.443 3.053) 16.305 5.607 ( 4.948 -5.310 25.564) 26.575 6.460 ( -7.928 9.349 14.268) 18.811 6.834 ( -7.922 4.224 0.460) 8.990 7.150 ( 9.305 4.477 9.671) 14.148 8.294 ( -6.065 14.572 4.631) 16.449 8.581 ( 12.100 6.526 0.447) 13.755 8.900 ( -10.147 15.278 21.952) 28.606 10.662 ( -7.957 -17.452 -6.628) 20.293 11.433 ( -1.092 -13.805 -15.181) 20.548 11.682 ( 8.692 11.510 0.706) 14.440 12.315 ( -1.107 9.638 -2.263) 9.962 15.365 ( -4.807 -11.294 4.564) 13.095 15.768 ( 16.794 -14.704 11.230) 24.987 16.445 ( 5.366 -30.023 -16.377) 34.617 17.956 ( -5.777 8.573 -2.784) 10.706 23.878 ( 4.641 10.690 19.696) 22.886 26.430 ( -6.156 -7.978 -14.857) 17.952 ======================= Grid point 161 (58/146) ======================= q-point: ( 0.45 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.385 ( 8.019 -0.552 -4.095) 9.021 1.704 ( 0.965 -1.398 0.720) 1.845 1.848 ( 5.591 0.151 5.402) 7.776 2.055 ( 15.156 4.538 -10.425) 18.947 2.226 ( 4.163 -2.108 -0.700) 4.719 2.303 ( -1.791 -3.420 2.162) 4.425 2.614 ( 3.189 -2.960 -3.611) 5.655 3.495 ( 28.373 -10.439 24.267) 38.767 3.841 ( 2.093 -44.344 -29.269) 53.174 4.587 ( 9.065 4.307 15.622) 18.568 5.015 ( 0.492 20.364 12.107) 23.696 5.178 ( 7.125 13.824 19.940) 25.288 5.614 ( 12.811 -2.166 9.233) 15.940 5.791 ( 3.471 3.943 8.001) 9.572 6.495 ( -6.940 2.455 12.410) 14.429 6.742 ( -2.778 6.229 3.408) 7.624 7.471 ( 10.667 8.754 10.145) 17.127 8.374 ( -1.832 13.591 1.009) 13.751 8.873 ( 1.574 13.538 -0.604) 13.643 9.029 ( 2.564 10.268 23.235) 25.531 10.242 ( -14.170 -17.436 -12.763) 25.840 11.138 ( -3.520 -19.720 -13.831) 24.342 11.948 ( 9.403 8.697 2.495) 13.048 12.368 ( -2.139 9.042 -1.059) 9.352 15.280 ( 4.858 -6.202 -3.692) 8.700 16.031 ( 23.110 -19.732 11.783) 32.592 16.157 ( 8.263 -27.487 -15.442) 32.593 17.841 ( -13.299 5.929 -5.902) 15.711 24.228 ( 12.037 9.698 15.811) 22.111 26.093 ( -13.191 -8.004 -15.554) 21.909 ======================= Grid point 162 (59/146) ======================= q-point: ( 0.55 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.500 ( 8.050 0.860 -5.133) 9.586 1.687 ( -1.180 -0.309 -0.594) 1.356 1.956 ( 3.761 0.389 1.124) 3.944 2.121 ( 1.846 -6.361 -8.510) 10.784 2.260 ( -0.028 0.426 1.348) 1.414 2.394 ( 9.442 3.371 -6.093) 11.732 2.713 ( 20.380 4.512 -16.520) 26.620 3.259 ( 4.787 -43.041 -30.261) 52.831 4.043 ( 30.267 -13.218 24.442) 41.089 4.858 ( 5.321 3.612 13.985) 15.393 5.111 ( -12.751 12.599 -0.485) 17.932 5.429 ( 4.877 -4.220 12.847) 14.375 5.796 ( -2.577 9.740 7.887) 12.795 5.855 ( -7.107 7.156 4.531) 11.057 6.418 ( -7.375 -0.131 11.446) 13.617 6.917 ( -2.581 15.082 9.751) 18.144 7.851 ( 21.212 3.507 9.753) 23.609 8.511 ( 4.355 11.767 -2.889) 12.875 8.825 ( -16.751 3.751 11.784) 20.822 9.468 ( 12.901 8.009 1.952) 15.310 9.760 ( -7.026 -8.991 -12.501) 16.925 10.756 ( -7.307 -23.925 -11.009) 27.331 12.176 ( 7.095 5.824 3.224) 9.729 12.397 ( -3.454 7.394 -0.401) 8.171 15.364 ( 14.513 -0.256 -10.594) 17.970 15.857 ( 7.794 -28.743 -18.425) 35.020 16.442 ( 28.363 -13.911 16.016) 35.419 17.549 ( -21.178 3.627 -9.384) 23.447 24.672 ( 19.610 8.953 11.391) 24.381 25.642 ( -20.029 -7.006 -14.821) 25.883 ======================= Grid point 163 (60/146) ======================= q-point: (-0.36 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.560 ( 2.218 -2.101 -4.289) 5.266 1.666 ( -0.511 0.711 -0.700) 1.121 1.908 ( 1.347 -13.637 -11.643) 17.982 2.070 ( 2.175 -0.846 -0.315) 2.355 2.303 ( 2.911 1.280 -0.827) 3.286 2.417 ( -1.450 -3.568 -1.089) 4.002 2.784 ( 5.506 -23.523 -21.308) 32.213 3.211 ( 35.657 16.174 -29.322) 48.917 4.509 ( 16.424 -9.252 17.327) 25.604 4.832 ( -12.887 0.604 -0.391) 12.907 5.032 ( -6.240 5.286 -0.403) 8.188 5.458 ( -0.802 -4.534 4.628) 6.529 5.747 ( -13.105 -0.531 7.242) 14.983 5.804 ( -10.813 2.688 10.931) 15.609 6.480 ( 0.762 4.015 14.128) 14.707 6.995 ( -14.627 20.377 9.015) 26.654 8.190 ( -2.128 4.278 10.613) 11.639 8.433 ( -14.095 -14.424 -7.730) 21.598 8.889 ( 21.827 9.753 -2.400) 24.027 9.177 ( -18.626 -2.433 -4.463) 19.307 10.137 ( 27.484 7.405 -0.923) 28.479 10.309 ( -9.587 -23.811 -6.324) 26.436 12.328 ( 2.992 2.844 2.785) 4.980 12.391 ( -3.962 5.686 0.086) 6.931 15.579 ( 15.619 -9.622 -14.102) 23.139 15.646 ( 11.915 -4.908 -17.582) 21.799 16.907 ( 27.824 -11.169 14.690) 33.388 17.104 ( -25.752 2.247 -11.372) 28.241 25.074 ( -15.178 -1.965 -7.982) 17.261 25.224 ( 14.073 4.494 3.696) 15.228 ======================= Grid point 164 (61/146) ======================= q-point: (-0.27 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.453 ( -1.430 -9.524 -11.036) 14.647 1.642 ( -0.907 -5.726 -2.466) 6.300 1.750 ( 1.934 -4.945 -5.233) 7.455 2.107 ( 0.579 2.151 0.968) 2.428 2.326 ( -3.115 -1.263 -1.657) 3.748 2.342 ( 1.533 -0.255 -1.686) 2.293 2.648 ( 5.689 -7.131 -7.164) 11.599 3.819 ( 36.576 21.288 -29.687) 51.694 4.299 ( -27.598 5.656 -9.077) 29.598 4.779 ( -21.350 3.476 -4.585) 22.111 4.960 ( 11.112 -9.846 8.156) 16.940 5.379 ( -15.272 -2.649 4.548) 16.153 5.549 ( -10.023 -3.374 11.392) 15.544 5.730 ( -1.271 -10.444 15.326) 18.590 6.631 ( 0.779 5.074 10.637) 11.811 6.948 ( -22.577 20.473 5.963) 31.056 7.696 ( -24.240 -17.704 -22.474) 37.498 8.269 ( -11.730 0.497 12.628) 17.242 8.839 ( -19.006 -0.604 7.066) 20.286 9.426 ( 26.091 4.683 -8.639) 27.880 9.873 ( -6.332 -20.016 0.465) 20.999 10.689 ( 28.091 6.760 -2.449) 28.996 12.311 ( -5.939 1.764 -0.591) 6.224 12.429 ( 0.528 1.996 2.166) 2.992 15.472 ( 4.993 -8.994 -10.925) 15.006 15.963 ( 23.380 10.771 -17.546) 31.153 16.568 ( -28.713 3.768 -13.094) 31.782 17.362 ( 24.409 -9.404 12.841) 29.140 24.551 ( -29.061 -2.036 -5.319) 29.614 25.714 ( 25.483 4.606 3.490) 26.130 ======================= Grid point 165 (62/146) ======================= q-point: (-0.18 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.303 ( -3.653 2.056 -1.671) 4.513 1.536 ( -4.793 -2.305 -0.932) 5.399 1.756 ( 1.013 0.973 -0.426) 1.467 2.133 ( -0.517 1.407 1.419) 2.064 2.288 ( -3.271 3.597 -0.843) 4.934 2.334 ( 0.857 -1.285 -1.853) 2.412 2.680 ( 4.945 0.247 -2.003) 5.341 3.807 ( -28.916 7.811 -13.776) 32.969 4.199 ( -13.644 4.786 -7.180) 16.144 4.528 ( 7.374 14.828 -12.584) 20.799 4.931 ( -12.225 -5.963 2.611) 13.850 5.004 ( -18.986 -4.236 4.383) 19.940 5.486 ( -5.789 -3.196 9.208) 11.336 5.787 ( 8.079 -11.312 12.141) 18.456 6.487 ( -35.493 2.756 -17.947) 39.868 6.761 ( -6.069 3.856 13.220) 15.049 7.198 ( -11.845 0.471 -5.551) 13.090 8.105 ( -13.405 -6.684 13.426) 20.115 8.570 ( -18.522 -2.615 10.147) 21.280 9.371 ( -10.448 -7.262 -6.393) 14.240 10.063 ( 24.706 1.106 0.825) 24.744 11.166 ( 25.439 4.129 -4.222) 26.115 12.195 ( -7.969 0.328 -2.327) 8.309 12.440 ( -1.268 -0.547 1.162) 1.805 15.453 ( 1.829 2.176 -4.068) 4.962 16.045 ( -22.980 7.310 -13.172) 27.478 16.391 ( 21.238 12.187 -13.516) 27.969 17.684 ( 15.458 -8.214 8.612) 19.509 24.044 ( -29.897 0.400 3.346) 30.086 26.159 ( 23.100 1.227 -0.510) 23.138 ======================= Grid point 166 (63/146) ======================= q-point: (-0.09 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.365 ( -7.999 16.662 12.684) 22.416 1.434 ( -7.207 4.198 0.943) 8.394 1.776 ( 0.749 0.218 0.106) 0.787 2.146 ( -1.252 1.961 3.947) 4.581 2.224 ( -5.322 0.887 -0.915) 5.473 2.348 ( -0.675 3.876 -1.368) 4.165 2.779 ( 3.004 6.720 1.574) 7.527 3.307 ( -31.895 13.430 -17.861) 38.945 3.802 ( -26.189 -0.822 9.762) 27.962 4.439 ( -23.953 -6.340 12.219) 27.627 4.500 ( -28.497 -4.606 13.280) 31.775 5.157 ( 17.392 15.447 -20.355) 30.909 5.333 ( -16.193 -0.611 4.828) 16.908 5.729 ( -15.000 -4.522 -11.426) 19.390 5.990 ( -4.578 3.517 9.896) 11.457 6.768 ( -4.865 -1.644 10.335) 11.540 7.035 ( -10.966 2.561 -0.373) 11.268 7.938 ( -8.210 -8.092 16.011) 19.729 8.309 ( -17.068 -3.652 9.777) 20.006 9.119 ( -11.626 1.762 -5.612) 13.029 10.452 ( 20.429 0.204 -0.370) 20.434 11.547 ( 20.693 1.475 -5.667) 21.505 12.027 ( -9.864 0.944 -4.782) 11.003 12.393 ( -2.842 -2.460 -0.638) 3.812 15.453 ( -7.973 6.800 -1.219) 10.549 15.770 ( -10.431 10.281 -1.218) 14.697 16.796 ( 20.487 14.885 -11.642) 27.871 17.817 ( 5.323 -9.055 4.237) 11.326 23.625 ( -27.790 1.723 12.458) 30.503 26.487 ( 18.775 -1.904 -4.570) 19.417 ======================= Grid point 171 (64/146) ======================= q-point: ( 0.36 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.317 ( 0.000 -10.606 10.866) 15.184 1.496 ( 0.000 -15.046 19.387) 24.541 1.765 ( 0.000 -1.638 0.654) 1.763 1.818 ( -0.000 0.606 -3.138) 3.196 2.191 ( 0.000 -2.275 2.543) 3.412 2.321 ( 0.000 -6.446 5.280) 8.333 2.631 ( -0.000 -6.654 -1.623) 6.849 2.878 ( 0.000 -1.504 16.328) 16.397 3.806 ( -0.000 -49.050 -32.718) 58.961 4.428 ( 0.000 7.306 20.376) 21.646 4.788 ( 0.000 13.275 9.875) 16.545 4.968 ( 0.000 15.055 21.787) 26.483 5.295 ( 0.000 12.949 7.974) 15.208 5.641 ( 0.000 -12.218 27.055) 29.686 6.775 ( 0.000 6.643 13.322) 14.887 7.060 ( 0.000 13.734 7.139) 15.478 7.075 ( 0.000 9.216 3.417) 9.829 8.403 ( -0.000 1.350 -9.437) 9.533 8.647 ( 0.000 22.634 7.729) 23.917 9.275 ( 0.000 10.525 23.933) 26.145 10.514 ( -0.000 -18.319 -7.407) 19.760 11.174 ( -0.000 -17.017 -18.287) 24.980 11.739 ( 0.000 12.230 1.974) 12.388 12.405 ( -0.000 9.436 -1.294) 9.524 15.367 ( 0.000 -18.441 10.108) 21.029 15.452 ( 0.000 -17.138 3.098) 17.416 16.003 ( -0.000 -29.590 -15.585) 33.444 18.058 ( -0.000 6.748 -3.757) 7.724 24.043 ( 0.000 6.683 16.719) 18.006 26.313 ( -0.000 -7.126 -14.633) 16.276 ======================= Grid point 172 (65/146) ======================= q-point: ( 0.45 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.231 ( 1.113 -10.500 1.467) 10.660 1.615 ( 11.974 -8.798 10.706) 18.314 1.781 ( 4.597 -3.889 5.547) 8.187 1.830 ( 3.651 0.316 -4.332) 5.674 2.171 ( -1.141 -4.917 -0.786) 5.109 2.276 ( 0.982 -7.716 -0.317) 7.784 2.530 ( 0.115 -7.491 -3.462) 8.254 3.136 ( 11.492 -23.778 -3.287) 26.614 3.145 ( 10.074 -28.787 -7.529) 31.415 4.637 ( 4.398 4.431 16.005) 17.180 5.122 ( 16.076 3.480 8.353) 18.448 5.255 ( 12.448 3.222 18.800) 22.777 5.506 ( -0.234 14.868 7.222) 16.531 5.766 ( 5.027 -1.544 17.842) 18.601 6.770 ( -8.799 -1.733 9.631) 13.160 6.974 ( -14.266 14.709 6.603) 21.528 7.510 ( 9.724 17.687 8.010) 21.715 8.400 ( 6.248 4.315 -10.304) 12.800 8.932 ( 2.134 22.185 5.331) 22.916 9.402 ( -8.446 1.683 19.719) 21.518 10.217 ( -10.190 -13.578 -8.656) 19.056 10.877 ( -0.806 -19.378 -17.440) 26.083 11.916 ( 6.371 8.876 2.751) 11.267 12.474 ( -1.139 8.400 -0.903) 8.525 15.149 ( -2.237 -14.265 0.493) 14.448 15.494 ( 15.778 -27.961 1.877) 32.160 15.725 ( 8.734 -19.797 -5.224) 22.260 18.025 ( -7.162 4.775 -5.714) 10.332 24.240 ( 6.262 4.058 13.356) 15.299 26.098 ( -7.056 -5.612 -14.166) 16.791 ======================= Grid point 173 (66/146) ======================= q-point: ( 0.55 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.272 ( 13.132 -0.464 -9.400) 16.156 1.694 ( 0.349 -0.303 0.304) 0.553 1.876 ( 5.382 -3.208 -8.758) 10.768 1.884 ( 0.351 -21.120 -13.379) 25.004 2.059 ( 21.719 -5.776 -1.664) 22.535 2.261 ( 2.193 -1.244 0.954) 2.696 2.483 ( 4.704 -6.119 -2.987) 8.276 2.697 ( 0.308 -21.759 -13.232) 25.469 3.580 ( 27.710 -12.649 22.021) 37.586 4.867 ( 7.726 2.181 12.860) 15.160 5.309 ( 5.403 -8.623 13.665) 17.038 5.496 ( -11.127 8.364 2.893) 14.217 5.821 ( 21.346 6.799 3.727) 22.711 5.955 ( 2.705 5.962 7.973) 10.316 6.639 ( -11.081 -1.793 9.984) 15.023 7.058 ( 4.691 13.036 10.630) 17.462 7.750 ( -0.970 13.790 1.709) 13.929 8.544 ( 7.529 5.475 -6.749) 11.498 9.109 ( -9.086 6.835 2.386) 11.618 9.414 ( 6.276 2.557 9.732) 11.859 9.845 ( -18.056 -3.349 -4.970) 19.024 10.540 ( -3.693 -21.779 -13.782) 26.036 12.127 ( 7.692 5.508 3.108) 9.958 12.512 ( -2.452 6.642 -0.931) 7.141 15.079 ( 8.798 -8.104 -5.569) 13.194 15.365 ( 8.308 -22.738 -10.395) 26.346 15.923 ( 26.216 -16.922 13.688) 34.074 17.832 ( -15.477 3.728 -8.341) 17.972 24.519 ( 14.284 2.990 9.924) 17.649 25.788 ( -14.327 -3.198 -12.749) 19.443 ======================= Grid point 174 (67/146) ======================= q-point: ( 0.64 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.402 ( 4.897 -10.485 -12.455) 17.001 1.532 ( 11.736 -16.030 -14.656) 24.688 1.687 ( -1.216 0.731 -0.029) 1.419 1.966 ( 7.528 0.981 -4.355) 8.752 2.289 ( 3.207 1.564 0.288) 3.579 2.375 ( 5.733 0.715 -2.458) 6.279 2.499 ( -0.874 -5.964 -5.290) 8.019 2.628 ( 27.309 6.358 -15.295) 31.940 4.074 ( 29.496 -15.698 22.718) 40.404 5.078 ( 3.668 0.971 11.103) 11.733 5.249 ( -20.775 9.170 -9.415) 24.583 5.370 ( 3.454 -12.463 9.962) 16.325 5.978 ( -7.259 1.603 1.559) 7.596 6.046 ( -6.144 2.450 6.084) 8.987 6.586 ( -1.785 -0.558 13.444) 13.573 7.456 ( 3.295 23.502 10.644) 26.009 7.921 ( 20.310 1.260 -4.353) 20.810 8.403 ( -13.592 -13.024 -18.607) 26.469 8.994 ( -8.844 8.129 9.094) 15.067 9.507 ( -19.539 0.791 0.666) 19.566 9.772 ( 21.282 6.443 0.857) 22.253 10.173 ( -6.182 -20.224 -8.032) 22.622 12.299 ( 5.667 2.430 2.805) 6.774 12.505 ( -3.846 4.462 -1.306) 6.034 15.170 ( 13.530 -8.740 -7.601) 17.811 15.319 ( 12.030 -1.254 -10.200) 15.822 16.361 ( 32.145 -15.659 16.533) 39.394 17.481 ( -23.364 4.341 -11.031) 26.200 24.895 ( 21.056 1.992 6.411) 22.101 25.407 ( -20.481 -0.031 -9.244) 22.470 ======================= Grid point 175 (68/146) ======================= q-point: (-0.27 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.298 ( 3.754 1.491 -3.008) 5.036 1.603 ( 3.206 -1.466 -0.660) 3.586 1.690 ( 1.104 2.103 -0.008) 2.375 2.068 ( 5.686 0.606 -2.025) 6.066 2.335 ( -0.321 1.829 -0.096) 1.860 2.357 ( -1.886 -0.456 -0.346) 1.971 2.490 ( 5.406 -0.405 -1.217) 5.556 3.198 ( 38.145 21.162 -28.386) 52.044 4.510 ( 20.929 -14.317 17.655) 30.898 4.805 ( -23.444 3.988 -10.363) 25.940 5.152 ( -12.353 5.212 3.449) 13.844 5.402 ( 7.809 -8.477 5.733) 12.873 5.773 ( -15.523 -4.830 5.339) 17.111 5.893 ( -13.298 -5.821 7.813) 16.485 6.676 ( 2.642 -3.622 11.530) 12.371 7.601 ( -19.546 30.861 5.730) 36.977 7.725 ( -21.472 -20.483 -28.350) 41.040 8.344 ( 16.292 -5.223 3.357) 17.435 9.086 ( 5.647 8.225 2.877) 10.384 9.216 ( -15.233 -1.093 6.632) 16.650 9.818 ( -8.025 -10.911 -2.216) 13.725 10.258 ( 26.679 2.844 -3.102) 27.009 12.384 ( 0.365 0.055 1.681) 1.721 12.460 ( -3.082 1.719 -1.513) 3.840 15.260 ( 9.067 0.170 -2.834) 9.501 15.595 ( 21.079 10.974 -12.251) 26.736 16.862 ( 29.936 -12.426 13.937) 35.282 17.020 ( -26.897 5.860 -11.941) 30.006 24.990 ( -25.440 4.340 -3.315) 26.019 25.329 ( 24.986 -1.134 2.592) 25.146 ======================= Grid point 176 (69/146) ======================= q-point: (-0.18 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.482 ( 0.178 18.963 8.974) 20.980 1.591 ( -2.558 -0.137 1.200) 2.829 1.758 ( 1.229 4.919 2.278) 5.558 2.128 ( 2.434 -0.699 0.062) 2.533 2.316 ( -1.475 -0.221 -1.070) 1.835 2.358 ( -0.097 2.999 1.222) 3.240 2.631 ( 5.514 9.174 3.831) 11.368 3.842 ( 34.059 20.827 -28.558) 49.085 4.292 ( -25.744 8.283 -11.226) 29.281 4.777 ( -0.386 -5.323 2.955) 6.101 4.938 ( -12.577 2.018 2.928) 13.070 5.383 ( -15.895 -2.996 4.238) 16.721 5.571 ( -0.839 -10.734 11.677) 15.883 5.684 ( -5.395 -11.281 10.148) 16.105 6.678 ( -5.313 -10.778 2.428) 12.259 6.994 ( -20.414 -11.757 -18.828) 30.157 7.570 ( -20.297 24.472 3.124) 31.947 8.314 ( -9.016 -11.882 9.485) 17.676 8.903 ( -17.375 -3.509 5.350) 18.516 9.474 ( 6.153 13.160 -3.209) 14.877 9.684 ( 8.793 -3.791 4.354) 10.519 10.710 ( 28.323 0.845 -5.391) 28.844 12.313 ( -7.104 0.086 -1.534) 7.268 12.442 ( 0.089 -2.210 0.222) 2.223 15.448 ( 5.778 11.937 2.556) 13.506 16.012 ( 22.660 15.644 -13.124) 30.503 16.532 ( -27.797 9.339 -10.839) 31.263 17.308 ( 25.009 -11.575 9.688) 29.211 24.592 ( -28.675 6.924 3.750) 29.737 25.734 ( 25.481 -4.107 -1.465) 25.851 ======================= Grid point 177 (70/146) ======================= q-point: (-0.09 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.549 ( -4.191 1.507 1.694) 4.765 1.671 ( 0.730 8.603 3.258) 9.229 1.828 ( -4.640 7.993 4.656) 10.349 2.163 ( 2.606 -0.799 2.279) 3.553 2.274 ( -2.613 1.478 -1.030) 3.174 2.416 ( 0.362 4.257 2.389) 4.896 2.906 ( 1.884 23.567 12.197) 26.603 3.802 ( -25.225 10.078 -12.130) 29.749 4.242 ( -9.960 9.068 -7.386) 15.362 4.679 ( -2.076 10.401 -2.385) 10.871 4.860 ( 2.919 1.425 -5.917) 6.749 5.028 ( -22.710 -2.602 8.470) 24.377 5.521 ( -4.591 -5.530 9.221) 11.692 5.656 ( 3.325 -10.143 2.139) 10.886 6.251 ( -17.619 -8.364 -2.491) 19.662 6.750 ( -0.205 -13.550 0.565) 13.563 7.445 ( -20.814 15.857 4.639) 26.574 8.112 ( -9.067 -10.509 14.175) 19.839 8.616 ( -17.668 -2.838 5.254) 18.650 9.426 ( -17.528 17.600 -0.662) 24.848 10.051 ( 25.424 -2.516 -1.362) 25.585 11.125 ( 25.751 -0.799 -6.109) 26.478 12.168 ( -8.664 0.584 -2.280) 8.978 12.398 ( -1.799 -3.932 -0.640) 4.371 15.652 ( -2.926 15.923 2.483) 16.379 16.129 ( -19.037 14.729 -4.029) 24.404 16.515 ( 22.037 15.901 -9.825) 28.897 17.573 ( 14.772 -12.407 3.829) 19.667 24.229 ( -29.479 8.393 10.726) 32.473 26.061 ( 23.127 -7.004 -5.989) 24.895 ======================= Grid point 183 (71/146) ======================= q-point: ( 0.45 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.183 ( 0.000 -15.334 9.397) 17.985 1.378 ( 0.000 -24.067 21.015) 31.951 1.744 ( 0.000 -3.843 3.100) 4.937 1.801 ( -0.000 0.948 -1.299) 1.608 1.939 ( -0.000 -39.904 -27.011) 48.186 2.179 ( 0.000 -2.131 2.540) 3.316 2.401 ( -0.000 -10.505 0.083) 10.505 2.721 ( -0.000 -13.599 -7.599) 15.579 3.015 ( 0.000 -4.411 13.452) 14.157 4.722 ( 0.000 1.746 11.298) 11.432 4.951 ( 0.000 0.058 3.368) 3.368 5.243 ( 0.000 -17.704 27.033) 32.315 5.744 ( 0.000 16.209 5.633) 17.160 5.862 ( 0.000 6.415 13.284) 14.752 6.838 ( 0.000 -4.035 4.430) 5.993 7.493 ( 0.000 16.480 6.391) 17.676 7.532 ( 0.000 21.089 13.457) 25.016 8.261 ( -0.000 1.924 -16.846) 16.955 9.198 ( 0.000 24.191 6.335) 25.006 9.488 ( 0.000 -14.333 4.905) 15.149 10.216 ( 0.000 -2.368 1.889) 3.029 10.583 ( -0.000 -17.988 -18.445) 25.764 11.955 ( 0.000 6.811 2.800) 7.364 12.550 ( -0.000 6.908 -1.360) 7.041 15.008 ( -0.000 -25.262 -3.477) 25.500 15.146 ( 0.000 -17.363 10.786) 20.441 15.447 ( -0.000 -14.205 -2.593) 14.440 18.089 ( -0.000 3.804 -5.816) 6.950 24.281 ( 0.000 -0.187 10.431) 10.432 26.030 ( -0.000 -2.692 -12.508) 12.794 ======================= Grid point 184 (72/146) ======================= q-point: ( 0.55 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.020 ( 2.817 -12.892 -0.511) 13.206 1.314 ( 4.453 -40.654 -23.687) 47.262 1.565 ( 17.236 -11.609 10.574) 23.317 1.752 ( 1.805 -3.081 2.028) 4.107 1.833 ( 4.317 -0.356 3.582) 5.621 2.203 ( 2.821 -1.563 2.356) 3.994 2.360 ( 2.399 -5.139 0.921) 5.746 2.607 ( -2.773 -3.308 -1.621) 4.611 3.211 ( 17.970 -8.969 15.783) 25.543 4.818 ( 5.296 -1.415 5.539) 7.792 5.177 ( 13.649 -6.934 12.846) 19.985 5.350 ( 20.105 -12.946 19.443) 30.820 5.820 ( -7.941 9.914 -1.148) 12.754 6.018 ( 2.832 4.966 6.627) 8.752 6.791 ( -4.122 -3.849 5.071) 7.584 7.347 ( -18.636 8.631 4.097) 20.943 8.010 ( 1.734 24.090 9.829) 26.076 8.262 ( 14.465 -1.431 -17.083) 22.430 9.266 ( -5.538 -15.210 -2.737) 16.417 9.449 ( -0.706 18.651 3.684) 19.024 10.127 ( -12.949 0.613 4.609) 13.759 10.305 ( -1.326 -15.616 -13.315) 20.565 12.077 ( 5.661 3.755 2.872) 7.375 12.587 ( -1.106 4.888 -2.050) 5.415 14.824 ( 5.252 -14.830 -0.936) 15.760 15.085 ( 2.596 -12.288 4.761) 13.432 15.486 ( 16.893 -12.741 9.051) 23.013 18.016 ( -8.250 3.752 -6.680) 11.259 24.392 ( 8.047 -2.196 7.592) 11.279 25.883 ( -7.459 0.872 -10.322) 12.765 ======================= Grid point 185 (73/146) ======================= q-point: ( 0.64 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.051 ( 13.310 -3.399 -2.779) 14.015 1.202 ( 14.307 5.749 -6.938) 16.908 1.714 ( 0.602 1.558 1.044) 1.970 1.796 ( 8.387 -0.966 -7.076) 11.015 2.083 ( 19.814 -0.487 7.352) 21.139 2.283 ( 6.298 1.589 1.680) 6.709 2.363 ( 2.476 -3.662 -0.348) 4.434 2.525 ( -4.353 0.017 0.262) 4.361 3.598 ( 26.662 -14.362 20.106) 36.351 4.947 ( 11.088 -6.194 2.958) 13.041 5.309 ( 3.370 -11.475 21.581) 24.673 5.592 ( -14.935 5.135 -7.813) 17.620 5.893 ( 20.874 -0.000 1.509) 20.929 6.105 ( 1.417 -0.919 1.475) 2.242 6.714 ( -5.201 -5.466 9.951) 12.488 7.250 ( 8.181 -1.718 -1.549) 8.502 8.072 ( -8.469 6.612 -13.058) 16.910 8.378 ( -3.941 8.169 -2.220) 9.338 9.110 ( 4.011 -7.376 0.447) 8.408 9.576 ( -0.021 7.775 -4.719) 9.095 9.909 ( -16.145 0.108 7.554) 17.825 10.073 ( -5.035 -5.943 -5.075) 9.296 12.225 ( 6.869 0.587 2.560) 7.354 12.578 ( -2.411 2.577 -2.645) 4.410 14.891 ( 11.230 -1.641 2.056) 11.533 15.111 ( 7.356 -0.654 -0.117) 7.386 15.822 ( 27.303 -13.581 16.452) 34.649 17.799 ( -16.914 5.117 -8.402) 19.567 24.608 ( 16.295 -3.663 4.594) 17.322 25.671 ( -14.380 4.992 -6.732) 16.644 ======================= Grid point 186 (74/146) ======================= q-point: (-0.27 -0.55 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.407 ( 4.204 24.668 14.080) 28.713 1.477 ( 12.600 5.011 -2.565) 13.801 1.738 ( -1.066 4.301 5.400) 6.986 1.911 ( 10.494 2.337 -8.027) 13.417 2.325 ( 4.246 -1.004 0.477) 4.390 2.360 ( 0.724 1.277 0.027) 1.468 2.489 ( 0.666 6.744 4.389) 8.075 2.649 ( 28.659 14.136 -12.740) 34.401 4.047 ( 28.231 -16.952 20.798) 38.948 5.068 ( 5.224 -10.334 0.890) 11.614 5.248 ( -15.246 4.041 -11.081) 19.276 5.360 ( -2.754 -4.239 13.857) 14.750 5.967 ( -7.977 -2.833 -1.639) 8.622 6.032 ( -6.735 -6.865 -1.325) 9.708 6.667 ( -0.763 -9.959 12.811) 16.244 7.517 ( 11.857 -17.787 -18.078) 27.996 7.830 ( 12.690 -0.949 -10.212) 16.316 8.324 ( -20.648 24.906 2.711) 32.465 9.107 ( 1.637 -12.245 4.455) 13.132 9.470 ( -13.332 -0.962 -4.589) 14.132 9.861 ( 14.709 -3.952 -1.799) 15.337 10.007 ( -10.272 14.944 6.247) 19.180 12.334 ( 5.070 -2.152 2.020) 5.867 12.521 ( -3.930 0.333 -2.907) 4.900 15.159 ( 11.031 11.160 6.789) 17.098 15.329 ( 15.517 9.587 -4.725) 18.842 16.304 ( 31.699 -13.053 16.705) 38.135 17.454 ( -24.272 7.783 -10.268) 27.479 24.906 ( 22.447 -6.299 1.112) 23.340 25.423 ( -20.196 9.085 -1.565) 22.201 ======================= Grid point 187 (75/146) ======================= q-point: (-0.18 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.606 ( 3.129 1.732 2.054) 4.125 1.627 ( -0.503 4.957 -0.303) 4.992 1.916 ( -0.710 15.227 10.355) 18.428 2.042 ( 6.513 0.648 -3.126) 7.254 2.345 ( 2.399 -1.058 0.795) 2.740 2.360 ( -2.047 2.023 -0.572) 2.935 2.788 ( 4.969 28.077 18.607) 34.047 3.259 ( 36.700 22.132 -26.216) 50.240 4.440 ( 21.745 -15.668 15.612) 31.017 4.723 ( -23.115 3.484 -11.990) 26.272 5.266 ( 5.203 -9.843 5.915) 12.607 5.311 ( -5.258 3.295 0.834) 6.261 5.706 ( -14.202 -7.523 2.296) 16.234 5.781 ( -10.425 -10.344 -1.946) 14.814 6.635 ( 0.120 -15.065 12.201) 19.386 7.012 ( -17.180 -16.568 -23.060) 33.187 8.168 ( -3.106 6.129 -0.009) 6.871 8.180 ( -3.507 -0.362 -1.089) 3.690 9.150 ( 17.973 -8.822 4.074) 20.432 9.200 ( -17.122 5.350 -0.106) 17.939 10.025 ( -15.056 21.769 8.523) 27.807 10.185 ( 27.838 -2.987 -6.737) 28.797 12.375 ( 1.357 -3.508 1.653) 4.109 12.422 ( -4.384 -1.743 -2.728) 5.449 15.534 ( 7.939 21.338 9.752) 24.768 15.719 ( 21.162 14.933 -7.851) 27.064 16.796 ( 29.707 -12.721 11.619) 34.342 17.034 ( -27.949 10.928 -10.380) 31.754 25.156 ( -23.575 11.070 4.217) 26.384 25.228 ( 24.235 -8.805 -3.042) 25.964 ======================= Grid point 188 (76/146) ======================= q-point: (-0.09 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.624 ( -2.101 1.734 1.130) 2.949 1.671 ( 2.247 0.660 -0.581) 2.413 2.001 ( -4.294 4.170 1.785) 6.246 2.098 ( 3.518 -2.654 0.253) 4.414 2.347 ( -2.358 4.872 -0.616) 5.447 2.414 ( 3.825 1.120 1.252) 4.178 3.328 ( 0.340 38.491 24.669) 45.719 3.854 ( 27.006 16.833 -24.476) 40.147 4.347 ( -16.815 13.179 -10.301) 23.718 4.673 ( 11.641 -8.291 2.848) 14.572 5.052 ( -22.051 6.945 -1.655) 23.178 5.365 ( -5.699 -2.876 1.209) 6.498 5.464 ( 1.263 -14.855 11.047) 18.556 5.560 ( -2.335 -10.712 2.138) 11.170 6.410 ( -17.291 -11.773 -2.532) 21.071 6.586 ( -0.297 -19.475 -0.598) 19.486 7.911 ( -19.309 4.165 -0.251) 19.755 8.142 ( -0.357 -16.337 7.474) 17.968 8.994 ( -19.985 13.371 2.950) 24.226 9.521 ( 27.613 -4.451 -3.965) 28.249 10.005 ( -19.561 23.567 6.250) 31.259 10.600 ( 29.982 -3.195 -6.536) 30.852 12.287 ( -6.831 -0.886 -0.688) 6.922 12.365 ( 0.204 -5.285 -0.235) 5.294 15.898 ( -0.060 24.135 6.401) 24.970 16.188 ( 23.457 16.583 -9.232) 30.174 16.649 ( -24.331 13.840 -4.048) 28.283 17.157 ( 22.192 -14.483 4.059) 26.808 24.882 ( -28.094 13.435 9.078) 32.437 25.514 ( 25.830 -12.560 -7.497) 29.684 ======================= Grid point 195 (77/146) ======================= q-point: ( 0.55 0.55 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.804 ( 0.000 -11.523 6.099) 13.038 1.078 ( 0.000 -10.309 14.652) 17.916 1.302 ( 0.000 -18.615 23.259) 29.791 1.746 ( 0.000 -1.227 3.926) 4.113 1.815 ( 0.000 1.070 0.414) 1.147 2.185 ( 0.000 -1.496 3.715) 4.005 2.302 ( 0.000 -3.787 1.234) 3.983 2.617 ( 0.000 -0.165 0.768) 0.785 3.065 ( 0.000 -7.582 11.577) 13.839 4.762 ( 0.000 -6.260 0.695) 6.299 4.992 ( 0.000 -1.017 5.806) 5.895 5.261 ( 0.000 -19.651 34.664) 39.846 5.949 ( -0.000 3.357 -3.200) 4.638 6.040 ( 0.000 -0.350 1.696) 1.732 6.800 ( -0.000 -3.829 0.043) 3.830 7.712 ( -0.000 2.582 -2.496) 3.592 7.819 ( -0.000 -6.572 -16.386) 17.655 8.326 ( 0.000 21.953 9.705) 24.002 9.117 ( -0.000 -11.622 -7.976) 14.095 9.637 ( -0.000 8.114 -2.474) 8.483 10.141 ( -0.000 0.190 -5.896) 5.899 10.280 ( 0.000 -2.803 5.130) 5.846 12.068 ( 0.000 1.109 2.750) 2.965 12.616 ( -0.000 2.851 -3.164) 4.259 14.683 ( 0.000 -6.781 6.878) 9.658 15.040 ( 0.000 -11.072 15.558) 19.096 15.293 ( 0.000 -4.527 5.227) 6.915 18.083 ( -0.000 4.030 -5.532) 6.844 24.328 ( 0.000 -5.197 5.025) 7.229 25.914 ( -0.000 5.043 -7.748) 9.245 ======================= Grid point 196 (78/146) ======================= q-point: (-0.36 -0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( 3.390 6.577 11.099) 13.339 1.253 ( 5.441 29.049 21.445) 36.515 1.513 ( 15.856 -9.119 12.175) 21.973 1.774 ( -0.757 2.846 5.942) 6.632 1.898 ( 8.542 -0.252 7.458) 11.343 2.226 ( 3.322 -0.517 4.164) 5.352 2.307 ( 2.435 -0.703 0.265) 2.548 2.611 ( -2.955 2.402 2.806) 4.730 3.212 ( 17.371 -11.652 14.240) 25.304 4.720 ( 5.969 -10.109 -1.479) 11.832 5.252 ( 15.055 -4.111 12.207) 19.813 5.393 ( 17.432 -12.450 23.705) 31.950 5.837 ( -8.639 -1.311 -8.758) 12.372 6.028 ( 2.370 -7.572 -1.094) 8.009 6.730 ( -1.981 -6.623 -1.133) 7.005 7.310 ( -16.902 -6.283 -10.077) 20.656 7.870 ( 7.704 -10.034 -21.055) 24.564 8.625 ( 6.406 12.269 14.189) 19.821 8.987 ( -4.905 3.637 -7.872) 9.963 9.534 ( -1.260 -11.017 -11.669) 16.098 10.155 ( -11.670 -6.035 2.394) 13.355 10.239 ( -3.478 19.849 6.961) 21.320 12.131 ( 5.222 -1.841 2.647) 6.137 12.601 ( -1.042 0.779 -3.684) 3.907 14.805 ( 7.256 6.278 11.936) 15.314 15.064 ( 1.612 -2.390 11.601) 11.954 15.461 ( 15.940 -4.801 13.085) 21.174 18.017 ( -8.775 4.971 -5.784) 11.627 24.365 ( 8.809 -7.327 2.107) 11.650 25.881 ( -7.069 9.182 -4.424) 12.404 ======================= Grid point 197 (79/146) ======================= q-point: (-0.27 -0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.256 ( 17.846 10.358 -4.828) 21.191 1.630 ( 0.259 6.976 2.743) 7.500 1.693 ( 10.462 2.501 -4.537) 11.674 1.948 ( -1.260 18.625 16.332) 24.804 2.184 ( 15.390 1.736 4.995) 16.273 2.299 ( 2.903 -2.202 1.235) 3.847 2.446 ( 7.445 11.016 5.879) 14.538 2.675 ( -0.290 17.633 13.598) 22.269 3.560 ( 26.300 -16.421 18.823) 36.272 4.751 ( 12.356 -13.451 -2.098) 18.384 5.382 ( 2.647 -9.859 13.950) 17.286 5.490 ( -14.482 -3.682 -10.310) 18.154 5.879 ( 16.966 -3.166 0.007) 17.259 5.955 ( 1.152 -11.598 -2.929) 12.017 6.615 ( 2.557 -14.925 2.400) 15.331 7.063 ( 4.640 -7.417 -6.418) 10.850 7.639 ( -2.873 -8.790 -20.848) 22.807 8.845 ( 0.658 -8.005 -12.444) 14.811 8.901 ( -7.133 12.798 13.304) 19.790 9.366 ( 6.924 -10.479 -10.664) 16.476 9.886 ( -14.225 -2.142 0.989) 14.419 10.420 ( -7.903 24.224 10.259) 27.468 12.218 ( 6.371 -4.439 2.290) 8.096 12.549 ( -2.287 -1.080 -3.300) 4.158 15.162 ( 12.115 15.287 6.946) 20.705 15.239 ( 7.910 9.792 12.963) 18.069 15.840 ( 23.705 -7.295 16.339) 29.700 17.814 ( -17.075 6.807 -7.278) 19.771 24.497 ( 16.549 -10.437 -1.300) 19.608 25.802 ( -13.297 12.781 -0.196) 18.445 ======================= Grid point 198 (80/146) ======================= q-point: (-0.18 -0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.545 ( 8.110 3.352 0.457) 8.788 1.656 ( 0.467 1.628 -2.260) 2.825 1.864 ( 11.944 3.491 -7.061) 14.307 2.103 ( -2.110 7.125 3.630) 8.270 2.291 ( 1.706 -2.224 1.144) 3.027 2.389 ( 2.440 2.617 -1.444) 3.858 2.783 ( 24.198 15.454 -11.619) 30.973 3.229 ( 4.652 42.990 31.030) 53.223 3.974 ( 27.229 -17.228 18.325) 37.068 4.816 ( 10.598 -14.305 -1.461) 17.863 5.099 ( -12.378 -4.268 -11.382) 17.349 5.408 ( 1.845 -8.525 4.659) 9.889 5.784 ( -6.480 -9.493 -6.957) 13.436 5.811 ( -8.330 -7.703 -6.908) 13.284 6.550 ( 1.381 -18.367 10.007) 20.961 6.971 ( -7.940 -11.446 -12.476) 18.700 7.665 ( 26.520 -4.741 -7.416) 27.943 8.542 ( -15.432 -6.063 -12.371) 20.687 8.895 ( 2.155 -12.010 5.881) 13.545 9.479 ( 7.522 7.008 -2.354) 10.547 9.749 ( 1.401 1.791 -2.267) 3.211 10.557 ( -12.562 25.277 9.707) 29.849 12.276 ( 4.965 -6.045 1.666) 7.998 12.465 ( -3.672 -2.315 -1.889) 4.734 15.504 ( 15.783 11.585 -1.988) 19.679 15.711 ( 10.037 26.775 15.804) 32.671 16.280 ( 26.635 -10.185 12.446) 31.114 17.500 ( -23.089 9.286 -8.287) 26.230 24.682 ( 22.271 -14.449 -4.970) 27.009 25.681 ( -18.931 15.085 4.011) 24.536 ======================= Grid point 207 (81/146) ======================= q-point: (-0.36 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.159 ( 0.000 -3.294 14.134) 14.512 1.247 ( 0.000 -10.681 26.203) 28.297 1.631 ( 0.000 11.433 8.151) 14.042 1.860 ( 0.000 1.539 3.069) 3.434 2.009 ( 0.000 22.711 23.466) 32.657 2.218 ( 0.000 -1.217 5.061) 5.205 2.313 ( 0.000 8.333 5.737) 10.117 2.716 ( 0.000 9.575 9.154) 13.247 3.028 ( 0.000 -11.277 10.143) 15.168 4.547 ( -0.000 -12.916 -4.011) 13.525 5.064 ( 0.000 -2.501 8.891) 9.236 5.342 ( 0.000 -17.602 25.623) 31.086 5.784 ( -0.000 -11.115 -11.328) 15.871 5.896 ( 0.000 -14.741 1.201) 14.790 6.670 ( -0.000 -3.816 -8.551) 9.364 7.308 ( -0.000 -11.582 -24.743) 27.320 7.557 ( -0.000 -9.389 -7.884) 12.260 8.582 ( -0.000 -5.838 -1.300) 5.981 9.195 ( 0.000 17.915 5.696) 18.799 9.311 ( -0.000 -16.659 -15.247) 22.583 10.198 ( -0.000 -6.054 -0.197) 6.058 10.549 ( 0.000 24.858 10.065) 26.818 12.074 ( 0.000 -4.260 3.143) 5.294 12.583 ( -0.000 -0.856 -4.088) 4.176 14.929 ( 0.000 11.421 17.748) 21.105 15.122 ( 0.000 -4.960 18.434) 19.090 15.420 ( 0.000 7.742 11.032) 13.478 18.101 ( -0.000 4.350 -4.628) 6.352 24.213 ( -0.000 -9.928 -1.036) 9.982 26.023 ( -0.000 12.634 -1.934) 12.782 ======================= Grid point 208 (82/146) ======================= q-point: (-0.27 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.138 ( 2.188 3.024 6.140) 7.185 1.472 ( 10.485 -7.143 7.414) 14.694 1.709 ( 0.233 3.244 1.130) 3.443 1.994 ( 10.329 1.502 6.501) 12.297 2.169 ( -0.718 2.479 4.148) 4.886 2.264 ( 1.835 -1.278 3.651) 4.281 2.538 ( 0.640 8.921 7.840) 11.894 3.092 ( 5.017 32.398 28.552) 43.475 3.146 ( 14.892 -4.758 17.284) 23.306 4.426 ( 6.395 -15.004 -6.544) 17.574 5.249 ( 8.400 -12.839 4.954) 16.123 5.379 ( 14.146 -16.005 4.846) 21.903 5.541 ( 3.012 -11.645 -10.491) 15.960 5.792 ( 3.143 -19.126 11.199) 22.385 6.482 ( -7.503 -7.384 -14.908) 18.250 7.011 ( -4.174 -6.562 -10.028) 12.690 7.432 ( 1.798 -10.700 -14.595) 18.186 8.549 ( 6.545 -7.647 -10.018) 14.201 9.045 ( 0.862 -17.813 -15.019) 23.315 9.285 ( -7.968 2.765 8.968) 12.311 10.100 ( -8.439 5.776 -0.339) 10.232 10.827 ( -3.838 25.070 10.592) 27.485 12.087 ( 4.673 -6.484 3.504) 8.727 12.535 ( -0.836 -2.280 -3.539) 4.292 15.182 ( 3.908 7.165 9.609) 12.608 15.301 ( 10.846 4.536 21.555) 24.553 15.690 ( 7.738 13.339 15.427) 21.813 18.038 ( -8.384 4.117 -5.306) 10.743 24.155 ( 8.380 -13.300 -4.695) 16.406 26.101 ( -6.262 15.157 1.035) 16.433 ======================= Grid point 209 (83/146) ======================= q-point: (-0.18 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.376 ( 16.798 8.237 -5.681) 19.553 1.550 ( 5.900 -3.811 -3.777) 7.975 1.752 ( 1.706 2.203 -0.170) 2.792 2.168 ( 1.094 2.228 -1.488) 2.894 2.250 ( 5.998 -0.898 2.685) 6.633 2.302 ( 4.450 0.897 1.595) 4.812 2.649 ( 3.959 6.993 1.646) 8.203 3.460 ( 26.233 -18.866 17.734) 36.859 3.808 ( 3.360 41.682 31.401) 52.294 4.415 ( 14.452 -12.493 -4.304) 19.582 5.097 ( -5.655 -17.574 -12.588) 22.345 5.168 ( 6.365 -22.298 -6.612) 24.113 5.674 ( 4.928 -10.363 -6.169) 13.028 5.813 ( 0.020 -9.253 8.469) 12.544 6.276 ( 11.161 -14.639 -4.701) 18.999 6.914 ( -0.412 -4.324 -1.008) 4.459 7.272 ( 5.948 -7.020 -13.342) 16.207 8.423 ( -0.721 -13.656 -16.715) 21.596 8.803 ( -0.005 -17.498 -11.350) 20.856 9.223 ( 4.385 -8.492 6.990) 11.841 10.064 ( -11.475 18.696 1.343) 21.978 11.031 ( -8.211 24.135 9.324) 27.145 12.133 ( 5.877 -7.732 3.193) 10.223 12.469 ( -1.649 -3.230 -1.793) 4.046 15.388 ( 9.313 6.132 3.384) 11.653 15.738 ( 20.451 1.254 15.161) 25.489 16.092 ( 7.603 21.239 15.834) 27.561 17.842 ( -15.245 4.888 -6.462) 17.264 24.166 ( 15.743 -17.778 -8.055) 25.075 26.117 ( -12.094 16.399 3.877) 20.741 ======================= Grid point 219 (84/146) ======================= q-point: (-0.27 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.236 ( 0.000 -4.416 7.026) 8.299 1.338 ( 0.000 -10.917 18.857) 21.789 1.733 ( 0.000 1.762 0.534) 1.841 1.954 ( 0.000 1.417 5.806) 5.977 2.183 ( -0.000 -0.611 -0.552) 0.823 2.264 ( 0.000 -1.989 6.264) 6.572 2.641 ( 0.000 4.021 5.844) 7.094 2.895 ( 0.000 -15.823 8.681) 18.048 3.778 ( 0.000 48.689 36.037) 60.575 4.164 ( -0.000 -17.489 -10.127) 20.209 5.038 ( 0.000 -17.594 4.154) 18.078 5.054 ( -0.000 -26.580 -6.652) 27.400 5.290 ( -0.000 -14.209 -11.888) 18.526 5.652 ( 0.000 -26.286 20.807) 33.524 6.435 ( -0.000 -2.037 -18.185) 18.299 6.853 ( -0.000 -5.115 -19.127) 19.799 7.246 ( -0.000 -12.423 -4.182) 13.108 8.370 ( -0.000 -5.053 -13.100) 14.041 8.749 ( -0.000 -19.329 -15.969) 25.072 9.359 ( 0.000 -13.151 7.369) 15.075 10.273 ( 0.000 15.909 0.140) 15.910 11.159 ( 0.000 23.507 9.919) 25.513 12.004 ( 0.000 -8.241 5.180) 9.734 12.492 ( -0.000 -3.137 -3.212) 4.490 15.268 ( 0.000 -4.046 14.183) 14.749 15.329 ( 0.000 6.399 12.007) 13.606 15.960 ( 0.000 25.323 20.480) 32.568 18.098 ( -0.000 1.194 -5.146) 5.283 23.901 ( -0.000 -16.180 -8.726) 18.384 26.315 ( 0.000 16.320 2.475) 16.506 ======================= Grid point 220 (85/146) ======================= q-point: (-0.18 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.196 ( 3.356 -2.248 0.275) 4.048 1.406 ( 5.240 -8.351 4.562) 10.863 1.758 ( 0.581 1.798 0.089) 1.891 2.079 ( 7.869 0.275 2.658) 8.311 2.178 ( 1.986 -1.983 0.122) 2.809 2.297 ( 0.813 -1.537 5.279) 5.558 2.701 ( -0.384 3.641 3.835) 5.302 2.975 ( 20.719 -20.083 13.830) 31.999 3.937 ( 3.567 -18.096 -10.561) 21.253 4.441 ( 4.727 28.957 20.629) 35.867 4.747 ( 4.815 -29.852 -13.422) 33.083 4.841 ( 2.218 -17.036 -2.919) 17.426 5.361 ( 16.591 -6.548 -2.357) 17.992 5.574 ( 11.644 -30.225 19.770) 37.947 6.161 ( -11.334 -1.983 -15.863) 19.597 6.799 ( 7.441 -2.575 -12.308) 14.611 7.096 ( -1.490 -9.740 -4.687) 10.912 8.211 ( -1.247 -8.999 -17.015) 19.289 8.487 ( 2.801 -18.303 -14.307) 23.400 9.195 ( -4.701 -16.262 7.233) 18.408 10.400 ( -5.677 19.199 0.665) 20.032 11.407 ( -3.554 21.506 8.374) 23.351 11.993 ( 3.994 -9.270 5.962) 11.722 12.440 ( -0.307 -3.551 -1.769) 3.979 15.336 ( 4.202 -2.361 7.186) 8.653 15.536 ( 10.744 0.492 8.876) 13.945 16.379 ( 3.124 27.021 19.680) 33.574 18.005 ( -6.723 -0.343 -5.926) 8.968 23.724 ( 7.636 -19.930 -11.873) 24.423 26.446 ( -5.620 16.265 3.801) 17.624 ======================= Grid point 231 (86/146) ======================= q-point: (-0.18 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.165 ( 0.000 -9.742 2.764) 10.126 1.283 ( 0.000 -15.344 10.075) 18.356 1.770 ( -0.000 2.111 -0.380) 2.145 2.025 ( 0.000 -2.659 5.350) 5.974 2.133 ( -0.000 -3.328 -1.521) 3.659 2.303 ( 0.000 -3.994 7.866) 8.822 2.639 ( 0.000 -22.579 8.039) 23.967 2.767 ( 0.000 1.691 5.570) 5.821 3.639 ( -0.000 -19.706 -12.756) 23.474 4.290 ( -0.000 -30.086 -9.866) 31.662 4.298 ( -0.000 -32.743 -16.942) 36.866 4.964 ( 0.000 0.658 12.088) 12.106 5.209 ( -0.000 -40.048 2.698) 40.139 5.268 ( 0.000 22.438 14.673) 26.810 6.168 ( -0.000 -5.251 -9.423) 10.787 6.596 ( -0.000 -0.217 -11.338) 11.340 7.016 ( -0.000 -6.364 -3.742) 7.383 8.047 ( -0.000 -7.848 -15.542) 17.411 8.212 ( -0.000 -15.971 -11.857) 19.892 9.116 ( 0.000 -16.376 5.689) 17.336 10.622 ( 0.000 17.116 -0.228) 17.117 11.669 ( 0.000 17.374 6.255) 18.466 11.922 ( 0.000 -9.062 9.463) 13.102 12.397 ( -0.000 -3.329 -1.365) 3.598 15.291 ( 0.000 -6.778 4.345) 8.051 15.517 ( 0.000 1.634 6.064) 6.281 16.731 ( 0.000 23.988 19.052) 30.634 17.993 ( -0.000 -4.120 -6.417) 7.626 23.374 ( -0.000 -21.524 -14.923) 26.191 26.666 ( 0.000 14.998 3.652) 15.436 ======================= Grid point 268 (87/146) ======================= q-point: ( 0.18 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 146 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.148 ( 0.000 0.000 27.372) 27.372 1.148 ( 0.000 0.000 27.372) 27.372 1.677 ( 0.000 0.000 11.067) 11.067 1.879 ( -0.000 -0.000 -2.966) 2.966 2.254 ( 0.000 0.000 10.887) 10.887 2.254 ( 0.000 0.000 10.887) 10.887 2.369 ( 0.000 0.000 39.507) 39.507 2.999 ( 0.000 0.000 18.749) 18.749 2.999 ( 0.000 0.000 18.749) 18.749 3.582 ( 0.000 0.000 21.253) 21.253 3.582 ( 0.000 0.000 21.253) 21.253 4.733 ( 0.000 0.000 14.186) 14.186 4.733 ( 0.000 0.000 14.186) 14.186 6.300 ( 0.000 0.000 10.968) 10.968 6.300 ( 0.000 0.000 10.968) 10.968 6.576 ( -0.000 -0.000 -10.717) 10.717 7.558 ( -0.000 -0.000 -3.513) 3.513 8.114 ( 0.000 0.000 21.696) 21.696 8.114 ( 0.000 0.000 21.696) 21.696 8.570 ( -0.000 -0.000 -11.389) 11.389 10.640 ( 0.000 0.000 12.236) 12.236 11.217 ( 0.000 0.000 5.149) 5.149 12.062 ( -0.000 -0.000 -11.166) 11.166 12.062 ( -0.000 -0.000 -11.166) 11.166 15.791 ( 0.000 -0.000 11.686) 11.686 15.791 ( 0.000 0.000 11.686) 11.686 17.520 ( -0.000 -0.000 -3.659) 3.659 17.520 ( -0.000 0.000 -3.659) 3.659 23.136 ( 0.000 0.000 22.162) 22.162 26.891 ( -0.000 -0.000 -13.159) 13.159 ======================= Grid point 269 (88/146) ======================= q-point: ( 0.27 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.338 ( -0.369 -0.213 22.687) 22.691 1.408 ( 7.027 4.057 20.604) 22.144 1.778 ( 4.773 2.756 1.725) 5.775 1.843 ( -1.332 -0.769 -2.716) 3.121 2.281 ( -0.024 -0.014 5.057) 5.057 2.312 ( -1.633 -0.943 13.044) 13.180 2.550 ( -2.357 -1.361 21.587) 21.758 3.107 ( 7.423 4.286 26.298) 27.660 3.396 ( 11.090 6.403 21.468) 24.998 3.816 ( 10.410 6.010 22.923) 25.884 3.937 ( 13.462 7.772 27.741) 31.799 4.884 ( 10.540 6.085 13.298) 18.026 5.033 ( 12.348 7.129 12.370) 18.876 6.250 ( -7.453 -4.303 -0.171) 8.607 6.263 ( -4.149 -2.395 -1.424) 4.998 6.556 ( 1.286 0.743 0.424) 1.544 7.464 ( -9.401 -5.427 8.207) 13.608 8.008 ( -15.005 -8.663 28.874) 33.673 8.294 ( 1.490 0.860 23.606) 23.669 8.527 ( 3.588 2.072 -11.465) 12.191 11.020 ( 20.883 12.057 5.001) 24.627 11.150 ( -8.616 -4.975 1.679) 10.090 11.985 ( -1.848 -1.067 -11.403) 11.601 11.997 ( 3.002 1.733 -11.032) 11.564 15.671 ( -12.143 -7.011 12.119) 18.533 15.961 ( 4.527 2.613 15.092) 15.972 17.322 ( -5.646 -3.260 -8.537) 10.742 17.625 ( 2.781 1.606 -2.191) 3.888 23.364 ( 6.019 3.475 25.237) 26.176 26.751 ( -4.360 -2.517 -15.310) 16.116 ======================= Grid point 270 (89/146) ======================= q-point: ( 0.36 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.399 ( -2.278 -1.315 11.593) 11.888 1.676 ( 6.463 3.731 11.174) 13.437 1.798 ( -0.965 -0.557 -1.014) 1.507 1.902 ( 7.767 4.485 -4.470) 10.021 2.309 ( 0.539 0.311 0.689) 0.929 2.344 ( -2.037 -1.176 5.820) 6.277 2.629 ( 2.028 1.171 3.804) 4.467 3.592 ( 17.480 10.092 32.203) 38.006 3.790 ( 11.555 6.671 24.009) 27.468 4.231 ( 12.642 7.299 18.467) 23.540 4.463 ( 15.937 9.201 27.517) 33.103 5.234 ( 9.460 5.462 4.095) 11.666 5.328 ( 7.171 4.140 2.571) 8.670 6.041 ( -8.403 -4.851 -6.635) 11.754 6.184 ( 1.279 0.738 -1.735) 2.279 6.624 ( 1.816 1.048 9.881) 10.101 7.355 ( -6.516 -3.762 24.013) 25.164 7.975 ( -2.348 -1.356 16.322) 16.545 8.433 ( -0.461 -0.266 14.006) 14.016 8.646 ( 11.034 6.370 1.162) 12.794 10.862 ( -15.449 -8.919 -6.912) 19.131 11.444 ( 13.174 7.606 0.938) 15.241 11.854 ( -2.134 -1.232 -9.210) 9.533 12.038 ( 5.387 3.110 -6.661) 9.114 15.495 ( -8.441 -4.873 7.309) 12.183 16.201 ( 7.658 4.421 17.657) 19.748 17.147 ( -4.060 -2.344 -14.010) 14.774 17.605 ( -3.059 -1.766 -3.754) 5.154 23.715 ( 10.663 6.156 24.757) 27.649 26.489 ( -9.679 -5.588 -17.510) 20.773 ======================= Grid point 271 (90/146) ======================= q-point: ( 0.45 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.452 ( 4.162 2.403 -1.186) 4.950 1.729 ( -1.343 -0.775 -1.501) 2.158 1.884 ( 3.908 2.256 6.116) 7.601 2.082 ( 13.698 7.909 -13.256) 20.638 2.301 ( -4.134 -2.387 3.940) 6.190 2.314 ( 0.653 0.377 -2.158) 2.286 2.692 ( 4.157 2.400 -3.660) 6.037 4.192 ( 16.039 9.260 25.150) 31.233 4.204 ( 10.625 6.134 21.853) 25.061 4.565 ( 9.073 5.238 6.523) 12.341 4.931 ( 9.624 5.556 21.392) 24.107 5.208 ( -4.402 -2.542 -11.586) 12.652 5.368 ( 1.342 0.775 -8.660) 8.798 5.808 ( -9.921 -5.728 -2.257) 11.676 6.324 ( 1.584 0.915 20.187) 20.270 6.730 ( -1.094 -0.632 14.443) 14.498 7.575 ( 11.625 6.712 21.361) 25.228 8.090 ( 7.098 4.098 4.654) 9.426 8.506 ( -1.303 -0.752 14.111) 14.191 9.003 ( 19.634 11.336 3.424) 22.929 10.393 ( -19.904 -11.492 -15.336) 27.630 11.447 ( -8.548 -4.935 -8.364) 12.938 11.935 ( 9.680 5.588 1.785) 11.319 12.122 ( 4.720 2.725 -3.235) 6.338 15.421 ( 0.328 0.189 -1.507) 1.554 16.534 ( 11.435 6.602 18.911) 23.065 16.928 ( -6.433 -3.714 -19.169) 20.558 17.434 ( -9.004 -5.198 -7.805) 13.000 24.161 ( 16.101 9.296 20.836) 27.925 26.089 ( -15.470 -8.932 -19.295) 26.294 ======================= Grid point 272 (91/146) ======================= q-point: ( 0.55 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.549 ( 5.589 3.227 -3.936) 7.559 1.682 ( -1.969 -1.137 -1.572) 2.764 1.967 ( 1.409 0.813 1.933) 2.526 2.184 ( -3.055 -1.764 -1.143) 3.708 2.323 ( 1.823 1.052 -3.151) 3.789 2.353 ( 11.918 6.881 -9.981) 17.001 2.812 ( 14.477 8.358 -16.310) 23.355 4.270 ( -11.532 -6.658 -22.164) 25.857 4.408 ( -3.382 -1.953 4.203) 5.737 4.847 ( 11.919 6.881 14.885) 20.273 5.104 ( 1.596 0.921 -0.412) 1.888 5.202 ( 6.070 3.504 5.668) 9.014 5.401 ( -1.063 -0.613 9.436) 9.516 5.630 ( -3.401 -1.964 4.241) 5.780 6.422 ( -5.108 -2.949 22.746) 23.499 6.738 ( -7.190 -4.151 17.983) 19.807 7.919 ( 2.238 1.292 23.172) 23.315 8.461 ( 28.090 16.217 -7.372) 33.262 8.532 ( -6.537 -3.774 17.435) 18.999 9.476 ( 13.533 7.813 -7.098) 17.163 9.854 ( -9.645 -5.569 -15.121) 18.780 11.114 ( -15.617 -9.017 -8.317) 19.859 12.152 ( 7.396 4.270 4.159) 9.499 12.192 ( 2.805 1.620 -1.354) 3.511 15.494 ( 9.924 5.730 -10.995) 15.881 16.605 ( -9.983 -5.764 -22.777) 25.528 16.927 ( 10.632 6.139 13.999) 18.619 17.119 ( -11.222 -6.479 -8.932) 15.738 24.697 ( 21.185 12.231 15.694) 29.064 25.559 ( -20.591 -11.888 -19.328) 30.641 ======================= Grid point 273 (92/146) ======================= q-point: (-0.36 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.615 ( -3.094 -1.786 -2.375) 4.290 1.632 ( 3.738 2.158 -2.593) 5.035 1.996 ( 1.589 0.917 -1.330) 2.266 2.092 ( -4.570 -2.638 1.036) 5.378 2.348 ( 2.076 1.199 -3.099) 3.918 2.468 ( 1.772 1.023 -2.558) 3.276 3.159 ( 28.701 16.571 -32.931) 46.720 3.737 ( -13.538 -7.816 -35.813) 39.077 4.150 ( -14.267 -8.237 -12.740) 20.826 4.908 ( -15.461 -8.926 -5.651) 18.726 5.129 ( 4.216 2.434 13.262) 14.127 5.386 ( 4.380 2.529 5.876) 7.753 5.516 ( -1.551 -0.895 10.723) 10.872 5.654 ( 1.501 0.867 14.307) 14.412 6.431 ( -5.479 -3.164 18.308) 19.371 6.689 ( -8.284 -4.783 20.410) 22.540 8.035 ( -2.356 -1.360 17.941) 18.146 8.381 ( -17.304 -9.990 6.751) 21.090 9.049 ( -20.462 -11.814 -17.154) 29.198 9.090 ( 30.463 17.588 -7.263) 35.917 10.242 ( 27.704 15.995 -1.908) 32.047 10.665 ( -20.325 -11.734 -5.883) 24.195 12.222 ( 0.442 0.255 -0.674) 0.846 12.308 ( 4.077 2.354 4.715) 6.663 15.702 ( 17.245 9.957 -19.297) 27.730 16.216 ( -10.537 -6.084 -22.683) 25.741 16.613 ( -17.924 -10.348 -18.953) 28.064 17.384 ( 13.084 7.554 16.691) 22.513 24.945 ( -23.854 -13.772 -15.994) 31.851 25.285 ( 23.619 13.636 10.580) 29.253 ======================= Grid point 274 (93/146) ======================= q-point: (-0.27 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.510 ( -4.491 -2.593 -4.199) 6.673 1.684 ( 2.422 1.398 -1.909) 3.386 1.986 ( -6.205 -3.582 -0.679) 7.196 2.029 ( 2.686 1.551 -3.282) 4.516 2.367 ( 1.368 0.790 -2.956) 3.352 2.405 ( -5.758 -3.324 -4.425) 7.987 3.066 ( -9.616 -5.552 -31.148) 33.068 3.689 ( -17.641 -10.185 -17.550) 26.888 3.830 ( 35.872 20.711 -33.859) 53.499 4.472 ( -20.551 -11.865 -1.668) 23.789 5.188 ( -7.249 -4.185 11.918) 14.564 5.293 ( -19.926 -11.504 8.983) 24.700 5.414 ( -2.535 -1.464 -2.652) 3.950 5.895 ( 5.818 3.359 16.970) 18.251 6.450 ( -2.440 -1.409 15.106) 15.367 6.591 ( -13.025 -7.520 11.975) 19.225 7.795 ( -27.176 -15.690 -18.830) 36.596 8.077 ( -3.470 -2.003 14.942) 15.470 8.663 ( -13.893 -8.021 8.502) 18.156 9.637 ( 20.971 12.108 -9.775) 26.114 10.184 ( -18.077 -10.437 0.107) 20.873 10.820 ( 25.457 14.698 -3.487) 29.602 12.198 ( -2.121 -1.224 -1.363) 2.803 12.397 ( 1.235 0.713 4.541) 4.760 15.807 ( -3.532 -2.039 -23.235) 23.590 16.057 ( 17.540 10.127 -19.548) 28.148 16.072 ( -18.156 -10.482 -20.714) 29.472 17.736 ( 9.207 5.315 13.422) 17.122 24.322 ( -24.555 -14.177 -8.398) 29.571 25.854 ( 22.386 12.924 5.683) 26.466 ======================= Grid point 275 (94/146) ======================= q-point: (-0.18 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.359 ( -6.281 -3.626 -5.408) 9.047 1.689 ( -7.528 -4.346 -11.132) 14.124 1.750 ( -5.343 -3.085 -2.576) 6.685 2.058 ( 1.703 0.984 -4.438) 4.854 2.219 ( -4.914 -2.837 -5.053) 7.598 2.366 ( 0.321 0.185 -3.787) 3.805 2.810 ( -1.025 -0.592 -13.037) 13.091 3.162 ( -19.297 -11.141 -16.822) 27.919 4.014 ( -21.049 -12.153 4.589) 24.735 4.398 ( 27.235 15.724 -21.578) 38.139 4.830 ( -27.350 -15.791 12.770) 34.066 4.963 ( -13.524 -7.808 2.108) 15.758 5.292 ( -4.871 -2.812 -6.785) 8.813 5.994 ( -21.668 -12.510 14.857) 29.099 6.190 ( -8.479 -4.896 -13.147) 16.393 6.517 ( -0.405 -0.234 13.563) 13.571 7.222 ( -14.892 -8.598 -3.571) 17.563 8.080 ( -4.954 -2.860 14.214) 15.321 8.438 ( -14.074 -8.126 13.679) 21.242 9.524 ( -17.334 -10.008 -7.603) 21.411 10.260 ( 16.689 9.635 0.993) 19.296 11.306 ( 20.831 12.027 -5.010) 24.570 12.105 ( -4.835 -2.792 -4.046) 6.895 12.425 ( -1.082 -0.624 3.525) 3.739 15.585 ( -13.832 -7.986 -16.070) 22.657 15.593 ( -2.444 -1.411 -14.537) 14.808 16.386 ( 22.291 12.869 -21.815) 33.740 17.949 ( 2.915 1.683 9.780) 10.343 23.776 ( -22.666 -13.086 2.792) 26.321 26.329 ( 18.279 10.553 0.901) 21.125 ======================= Grid point 280 (95/146) ======================= q-point: ( 0.27 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.473 ( 0.000 -2.097 19.700) 19.811 1.526 ( 0.000 3.158 22.984) 23.200 1.773 ( 0.000 2.641 0.386) 2.669 1.826 ( -0.000 -1.185 -2.895) 3.128 2.274 ( 0.000 -3.588 4.026) 5.393 2.409 ( 0.000 2.068 5.585) 5.956 2.836 ( 0.000 -5.652 35.906) 36.348 2.973 ( 0.000 -14.191 15.920) 21.327 3.675 ( 0.000 22.042 25.889) 34.002 3.941 ( 0.000 8.909 25.696) 27.197 4.126 ( 0.000 14.165 28.462) 31.792 4.816 ( 0.000 -1.718 5.428) 5.693 5.240 ( 0.000 24.854 16.485) 29.824 5.935 ( -0.000 -30.284 -14.618) 33.628 6.434 ( 0.000 -0.714 9.585) 9.611 6.599 ( -0.000 10.579 -4.100) 11.345 7.465 ( 0.000 -9.913 5.244) 11.215 8.195 ( 0.000 -14.445 25.132) 28.988 8.422 ( -0.000 0.815 -9.092) 9.128 8.607 ( 0.000 9.932 33.110) 34.568 11.049 ( 0.000 19.996 7.192) 21.250 11.165 ( -0.000 -11.101 0.823) 11.131 11.786 ( -0.000 -7.829 -15.920) 17.741 12.028 ( -0.000 9.908 -9.785) 13.925 15.851 ( 0.000 -7.260 11.905) 13.944 15.912 ( 0.000 -10.285 17.344) 20.164 17.151 ( -0.000 -20.713 -8.941) 22.561 17.690 ( -0.000 11.880 -3.235) 12.312 23.549 ( 0.000 8.386 26.012) 27.330 26.651 ( -0.000 -3.801 -17.251) 17.665 ======================= Grid point 281 (96/146) ======================= q-point: ( 0.36 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( -4.117 -6.897 17.413) 19.177 1.703 ( 2.154 1.216 13.909) 14.127 1.796 ( -0.002 -0.409 -0.068) 0.415 1.821 ( 3.496 1.748 -2.127) 4.450 2.274 ( 1.177 -2.928 1.400) 3.453 2.422 ( -3.052 -0.777 5.235) 6.109 2.704 ( -8.271 -4.282 9.501) 13.304 3.351 ( 24.626 -11.482 29.076) 39.795 4.054 ( 1.178 19.194 25.214) 31.710 4.330 ( 8.082 16.271 23.385) 29.613 4.523 ( 10.109 12.341 25.756) 30.296 4.883 ( 11.267 -13.922 -7.745) 19.513 5.578 ( -3.049 21.444 12.356) 24.936 5.626 ( 11.634 -24.259 -9.234) 28.445 6.433 ( -6.932 8.068 3.512) 11.202 6.685 ( 0.459 7.500 3.411) 8.252 7.407 ( 0.853 -14.064 13.757) 19.692 8.181 ( -5.627 -4.196 18.039) 19.357 8.448 ( 7.015 4.288 -8.499) 11.825 8.841 ( -9.673 11.546 34.956) 38.063 10.925 ( -10.832 -14.505 -7.059) 19.431 11.365 ( 9.032 13.125 2.888) 16.192 11.647 ( 6.155 -9.573 -13.213) 17.439 12.073 ( -0.787 12.541 -6.527) 14.160 15.648 ( -12.246 -11.816 10.703) 20.103 16.110 ( 13.749 -9.616 17.546) 24.277 16.887 ( 3.306 -24.680 -12.443) 27.836 17.734 ( -5.499 10.953 -5.190) 13.309 23.836 ( 4.042 8.586 25.161) 26.891 26.444 ( -5.510 -5.294 -19.033) 20.510 ======================= Grid point 282 (97/146) ======================= q-point: ( 0.45 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.451 ( -4.760 -6.387 7.063) 10.647 1.728 ( -0.764 -1.186 -0.924) 1.686 1.867 ( 4.318 0.625 1.090) 4.497 1.921 ( 5.983 4.500 -0.377) 7.496 2.268 ( 1.265 -2.496 -1.245) 3.063 2.377 ( -3.826 -2.214 3.217) 5.467 2.649 ( 0.024 -1.994 0.341) 2.023 3.883 ( 28.264 -10.540 28.237) 41.319 4.307 ( -0.498 -7.068 2.395) 7.479 4.664 ( 4.510 3.152 2.464) 6.028 4.754 ( 9.148 -3.154 5.585) 11.173 5.039 ( 12.013 11.787 21.832) 27.566 5.652 ( -9.424 14.280 -0.051) 17.109 5.745 ( 9.830 -4.554 -0.153) 10.835 6.476 ( -2.148 10.025 9.625) 14.063 6.801 ( 0.738 -0.048 15.237) 15.255 7.481 ( 10.777 -4.320 11.480) 16.328 8.207 ( -2.598 2.691 12.766) 13.302 8.607 ( 6.882 11.617 -3.651) 13.988 9.018 ( -4.530 9.299 28.360) 30.188 10.466 ( -17.094 -15.569 -16.336) 28.310 11.366 ( -0.560 -12.580 -12.462) 17.717 11.811 ( 12.622 7.221 3.547) 14.968 12.150 ( -0.337 11.758 -3.586) 12.297 15.433 ( -6.037 -9.208 3.500) 11.553 16.402 ( 17.554 -8.828 18.654) 27.093 16.615 ( 5.106 -27.586 -16.260) 32.426 17.630 ( -13.116 9.428 -9.781) 18.883 24.180 ( 9.308 8.097 22.120) 25.328 26.112 ( -11.895 -6.677 -20.428) 24.564 ======================= Grid point 283 (98/146) ======================= q-point: ( 0.55 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.431 ( 6.043 0.871 -6.757) 9.107 1.693 ( -1.508 -0.854 -1.092) 2.049 1.951 ( 4.615 0.435 -1.386) 4.838 2.044 ( 7.167 5.292 -10.426) 13.714 2.270 ( 1.970 -0.176 -1.909) 2.749 2.308 ( -2.317 -1.232 0.473) 2.666 2.651 ( 3.591 -1.508 -3.659) 5.344 3.881 ( 0.440 -39.995 -29.130) 49.481 4.421 ( 21.608 -6.898 22.805) 32.165 4.880 ( -3.543 9.493 8.535) 13.248 4.888 ( 6.342 1.477 3.216) 7.262 5.435 ( 4.371 11.848 16.054) 20.425 5.610 ( -9.315 16.630 -1.002) 19.087 5.740 ( -5.970 2.434 1.066) 6.535 6.604 ( -2.443 -3.654 22.777) 23.198 6.895 ( -1.602 -2.390 16.998) 17.240 7.856 ( 26.049 3.172 7.137) 27.194 8.302 ( -0.149 7.709 8.131) 11.206 8.764 ( -4.624 9.101 7.029) 12.394 9.309 ( 12.097 10.504 10.848) 19.348 9.880 ( -18.165 -13.926 -21.897) 31.677 11.088 ( -5.298 -17.613 -11.613) 21.752 12.089 ( 9.222 5.964 4.927) 12.037 12.225 ( -0.780 9.138 -1.903) 9.366 15.341 ( 3.302 -3.202 -5.676) 7.306 16.289 ( 3.522 -28.226 -20.562) 35.099 16.781 ( 20.881 -7.219 19.140) 29.231 17.347 ( -20.484 7.511 -15.769) 26.920 24.599 ( 15.915 8.466 17.651) 25.229 25.660 ( -18.008 -7.322 -20.190) 28.027 ======================= Grid point 284 (99/146) ======================= q-point: ( 0.64 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.533 ( 7.248 2.209 -6.671) 10.095 1.643 ( -2.545 -0.261 -1.930) 3.205 1.972 ( 0.192 -0.823 -3.114) 3.226 2.101 ( 3.303 -2.126 -7.370) 8.351 2.277 ( 3.038 0.493 -2.007) 3.675 2.381 ( 7.220 6.831 -8.089) 12.815 2.718 ( 13.079 4.278 -17.163) 21.998 3.302 ( 1.516 -36.935 -31.463) 48.543 4.477 ( -22.157 10.725 -11.695) 27.253 4.981 ( 5.393 -4.659 4.293) 8.320 5.045 ( 9.032 -7.013 15.744) 19.458 5.436 ( -9.331 7.434 -0.989) 11.971 5.729 ( -6.698 5.184 5.428) 10.060 5.778 ( 0.829 10.603 16.299) 19.462 6.631 ( -5.937 -5.243 22.658) 24.003 6.909 ( -7.102 -2.048 17.808) 19.281 8.229 ( -2.066 0.529 18.939) 19.059 8.567 ( 9.204 -2.320 -12.174) 15.437 8.673 ( 4.308 7.389 -2.773) 8.991 9.206 ( -18.785 -4.806 -6.949) 20.597 9.919 ( 25.697 12.682 -1.270) 28.684 10.710 ( -9.986 -20.476 -8.642) 24.366 12.264 ( -1.951 6.479 -1.238) 6.879 12.292 ( 5.309 3.595 4.964) 8.109 15.408 ( 12.226 3.957 -14.743) 19.558 15.933 ( 1.993 -24.843 -21.673) 33.028 16.878 ( -25.510 6.635 -20.964) 33.679 17.217 ( 20.794 -5.807 16.876) 27.403 25.063 ( 5.954 1.262 2.063) 6.426 25.159 ( -7.261 0.641 -6.216) 9.580 ======================= Grid point 285 (100/146) ======================= q-point: (-0.27 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.516 ( -2.797 -4.038 -6.266) 7.962 1.642 ( 2.356 2.357 -2.650) 4.257 1.904 ( 1.478 -9.931 -9.199) 13.617 2.067 ( -1.972 1.370 -0.466) 2.446 2.319 ( 2.468 0.221 -2.865) 3.788 2.397 ( -3.205 -5.855 -3.814) 7.687 2.749 ( 6.340 -11.692 -25.584) 28.835 3.199 ( 31.732 15.817 -32.246) 47.926 4.027 ( -29.051 10.970 -20.356) 37.130 4.738 ( -20.702 -2.890 -1.927) 20.991 5.275 ( 6.916 -11.104 16.017) 20.680 5.425 ( -3.874 3.928 2.371) 6.005 5.602 ( -15.435 0.231 6.410) 16.715 5.938 ( 0.664 0.591 14.000) 14.029 6.631 ( -5.872 -0.352 14.741) 15.872 6.858 ( -12.677 -1.393 16.948) 21.210 7.881 ( -23.024 -19.038 -27.242) 40.432 8.319 ( -10.987 3.249 15.350) 19.154 8.932 ( -14.918 -2.356 12.983) 19.916 9.236 ( 30.697 9.540 -9.894) 33.633 10.275 ( -11.855 -20.608 -3.584) 24.043 10.482 ( 27.439 12.375 -3.777) 30.336 12.250 ( -4.052 3.270 -1.827) 5.518 12.414 ( 2.170 1.841 4.677) 5.474 15.561 ( 7.467 -1.013 -23.090) 24.289 15.680 ( 12.772 -5.525 -17.460) 22.328 16.340 ( -26.929 6.719 -23.504) 36.369 17.604 ( 18.093 -4.752 14.166) 23.465 24.575 ( -24.396 -5.910 -9.505) 26.841 25.623 ( 22.816 8.345 7.345) 25.380 ======================= Grid point 286 (101/146) ======================= q-point: (-0.18 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.346 ( -3.297 -7.740 -10.760) 13.659 1.618 ( -3.251 -7.666 -8.008) 11.553 1.745 ( -0.284 -3.015 -3.363) 4.525 2.070 ( -1.523 5.418 -1.307) 5.778 2.236 ( -3.708 -1.108 -3.907) 5.499 2.335 ( 0.613 -0.213 -3.236) 3.300 2.676 ( 4.298 -2.172 -7.982) 9.322 3.490 ( -29.534 10.175 -20.641) 37.441 3.798 ( 38.089 22.634 -34.197) 55.969 4.335 ( -22.296 -2.953 2.119) 22.591 5.194 ( -14.443 -13.060 13.298) 23.580 5.207 ( -21.615 -9.375 8.280) 24.973 5.461 ( -11.596 11.268 0.312) 16.172 6.043 ( 6.532 -7.907 9.772) 14.166 6.373 ( -29.334 -9.030 -13.997) 33.733 6.755 ( -8.697 6.314 16.290) 19.516 7.303 ( -10.434 -11.994 -5.397) 16.788 8.270 ( -9.325 -0.498 15.600) 18.181 8.731 ( -16.591 -5.270 15.662) 23.416 9.513 ( 1.088 -8.255 -12.344) 14.889 10.070 ( 10.876 -2.670 2.676) 11.515 10.994 ( 24.916 9.906 -6.242) 27.530 12.164 ( -6.547 0.596 -3.521) 7.458 12.462 ( -0.631 -0.145 3.671) 3.728 15.419 ( 1.688 -4.519 -13.881) 14.695 15.763 ( -12.074 7.793 -23.619) 27.647 16.035 ( 12.780 12.714 -18.600) 25.902 17.885 ( 11.226 -4.803 9.951) 15.752 24.093 ( -23.902 -4.214 0.845) 24.286 26.091 ( 21.020 6.094 1.791) 21.959 ======================= Grid point 292 (102/146) ======================= q-point: ( 0.36 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.597 ( 0.000 -8.072 14.909) 16.954 1.748 ( 0.000 -2.647 1.497) 3.041 1.788 ( -0.000 0.427 -2.297) 2.337 1.838 ( 0.000 -0.853 16.055) 16.078 2.251 ( 0.000 -2.231 1.348) 2.607 2.463 ( 0.000 -2.364 2.500) 3.441 2.867 ( 0.000 -16.661 13.310) 21.325 3.109 ( 0.000 -7.873 26.685) 27.823 4.383 ( 0.000 13.634 23.899) 27.514 4.421 ( -0.000 -24.142 -10.190) 26.204 4.598 ( 0.000 7.432 8.220) 11.081 4.760 ( 0.000 17.436 22.465) 28.437 5.269 ( -0.000 -9.984 -2.438) 10.278 5.928 ( 0.000 13.852 18.721) 23.289 6.596 ( 0.000 10.173 8.885) 13.506 6.794 ( -0.000 15.268 -3.031) 15.566 7.333 ( 0.000 -20.063 18.997) 27.630 8.298 ( -0.000 1.899 -13.018) 13.155 8.373 ( 0.000 6.445 14.039) 15.448 9.283 ( 0.000 9.236 35.854) 37.024 10.817 ( -0.000 -18.574 -8.531) 20.440 11.319 ( -0.000 -9.853 -18.206) 20.702 11.506 ( 0.000 12.794 3.481) 13.259 12.166 ( -0.000 13.279 -4.990) 14.185 15.797 ( 0.000 -14.003 10.249) 17.353 15.855 ( 0.000 -20.182 18.651) 27.480 16.500 ( -0.000 -30.823 -13.163) 33.516 17.853 ( -0.000 10.754 -6.130) 12.379 24.042 ( 0.000 6.958 23.417) 24.429 26.313 ( -0.000 -5.060 -19.990) 20.621 ======================= Grid point 293 (103/146) ======================= q-point: ( 0.45 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.542 ( -7.189 -13.965 13.654) 20.812 1.720 ( -0.338 -1.769 -0.162) 1.809 1.794 ( 2.293 0.503 -3.393) 4.126 1.931 ( 1.336 -1.810 13.542) 13.728 2.232 ( -0.596 -2.381 -0.186) 2.461 2.415 ( -2.279 -5.078 1.603) 5.792 2.666 ( -6.544 -8.525 4.877) 11.802 3.488 ( 26.185 -12.730 26.654) 39.473 3.866 ( 1.048 -47.595 -30.010) 56.276 4.638 ( 3.519 7.877 18.324) 20.254 4.978 ( 6.106 18.316 17.155) 25.828 5.125 ( 9.095 16.631 18.361) 26.390 5.373 ( 14.981 0.351 0.078) 14.986 6.009 ( -9.289 3.408 9.386) 13.638 6.708 ( -7.772 11.810 10.360) 17.527 6.959 ( -1.964 9.293 11.601) 14.993 7.345 ( 8.163 -8.667 13.595) 18.071 8.256 ( 3.438 3.357 -8.159) 9.469 8.592 ( 4.538 13.638 6.333) 15.707 9.485 ( -10.374 6.695 31.416) 33.755 10.450 ( -12.667 -17.841 -15.013) 26.536 11.094 ( 2.984 -15.839 -19.004) 24.918 11.748 ( 8.673 11.283 5.298) 15.186 12.258 ( -0.695 12.633 -3.626) 13.162 15.492 ( -11.746 -17.218 8.481) 22.503 16.058 ( 20.465 -21.478 17.000) 34.192 16.140 ( 3.765 -30.231 -13.235) 33.215 17.838 ( -7.797 9.231 -9.309) 15.253 24.273 ( 4.217 4.215 20.676) 21.519 26.079 ( -6.625 -4.577 -20.547) 22.068 ======================= Grid point 294 (104/146) ======================= q-point: ( 0.55 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.337 ( -4.278 -10.731 1.717) 11.679 1.701 ( -0.771 -0.627 -0.383) 1.065 1.826 ( 4.273 0.788 -5.416) 6.944 2.021 ( 0.687 -0.429 3.352) 3.448 2.184 ( 2.313 -4.717 -3.338) 6.224 2.336 ( -1.860 -5.009 0.699) 5.389 2.575 ( 0.544 -5.165 -0.449) 5.213 3.233 ( 2.119 -44.825 -28.753) 53.297 4.018 ( 29.940 -14.477 27.035) 42.859 4.894 ( 6.350 5.497 13.125) 15.582 5.182 ( -9.715 14.685 3.616) 17.975 5.508 ( 4.974 7.717 9.418) 13.153 5.705 ( 18.217 4.650 3.503) 19.125 5.926 ( -8.994 8.652 3.244) 12.895 6.763 ( -4.731 4.114 15.244) 16.483 7.029 ( -2.014 -3.189 24.409) 24.699 7.553 ( 11.577 4.004 -0.736) 12.272 8.389 ( 7.762 6.598 -0.019) 10.188 8.845 ( 4.727 15.456 0.538) 16.171 9.524 ( -8.860 1.394 21.649) 23.434 9.916 ( -19.261 -11.591 -17.367) 28.407 10.844 ( 0.857 -19.738 -15.903) 25.362 12.030 ( 9.498 7.430 5.364) 13.198 12.331 ( -1.530 10.736 -2.823) 11.206 15.254 ( -3.313 -11.738 1.336) 12.270 15.802 ( 4.722 -30.584 -15.985) 34.831 16.392 ( 25.232 -18.230 20.338) 37.184 17.639 ( -16.747 8.137 -14.489) 23.592 24.552 ( 10.638 2.939 17.303) 20.523 25.740 ( -13.359 -3.327 -19.811) 24.125 ======================= Grid point 295 (105/146) ======================= q-point: ( 0.64 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.327 ( 11.409 2.493 -12.153) 16.854 1.666 ( -2.162 -0.974 -2.593) 3.513 1.855 ( 2.679 -13.519 -15.711) 20.899 1.899 ( 4.582 -1.700 -7.354) 8.830 2.265 ( 7.813 2.431 -3.125) 8.758 2.286 ( -1.031 0.053 0.700) 1.247 2.549 ( 1.811 -4.454 -3.063) 5.700 2.756 ( 2.991 -26.478 -18.683) 32.544 4.529 ( 26.034 -13.626 23.642) 37.714 4.955 ( -18.789 11.851 -14.284) 26.410 5.135 ( -0.768 2.400 12.786) 13.032 5.554 ( -2.342 -2.491 -1.664) 3.802 5.934 ( -5.422 11.164 4.882) 13.336 5.981 ( 0.095 7.127 9.456) 11.841 6.810 ( -3.751 -6.749 25.551) 26.692 7.157 ( -6.094 9.404 14.790) 18.555 7.900 ( 32.892 -0.615 -3.626) 33.097 8.457 ( -6.267 -3.786 -10.622) 12.901 8.881 ( -12.421 6.514 -0.119) 14.026 9.478 ( -12.018 0.524 -6.166) 13.518 9.672 ( 10.153 6.776 10.341) 15.998 10.532 ( -2.934 -22.470 -11.889) 25.590 12.260 ( 7.047 4.262 5.065) 9.668 12.369 ( -2.822 8.192 -2.495) 9.017 15.190 ( 6.124 -2.617 -6.618) 9.388 15.508 ( 4.400 -23.240 -16.210) 28.674 16.805 ( 27.399 -15.845 20.155) 37.523 17.256 ( -24.537 8.061 -19.864) 32.582 24.912 ( 16.881 2.683 13.071) 21.517 25.329 ( -18.314 -1.024 -16.232) 24.494 ======================= Grid point 296 (106/146) ======================= q-point: (-0.27 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.380 ( 1.851 -11.068 -15.312) 18.984 1.603 ( 7.472 1.274 -9.538) 12.183 1.691 ( 0.588 -7.249 -2.950) 7.848 2.008 ( 9.551 2.858 -8.423) 13.051 2.283 ( 0.175 2.253 -1.860) 2.927 2.383 ( -1.153 -1.538 -2.246) 2.956 2.454 ( 5.811 1.985 -12.254) 13.706 2.722 ( 17.683 4.861 -15.854) 24.242 4.492 ( -28.260 11.777 -18.350) 35.693 4.979 ( 19.609 -12.742 16.353) 28.536 5.074 ( -16.037 1.105 2.442) 16.260 5.525 ( 1.202 -0.626 3.178) 3.454 5.894 ( -11.209 2.595 6.769) 13.349 6.042 ( -3.767 -2.136 9.760) 10.678 6.844 ( -6.262 -1.331 20.196) 21.187 7.192 ( -11.557 10.654 13.564) 20.762 7.870 ( -22.369 -18.217 -36.023) 46.150 8.450 ( 24.925 -2.620 4.584) 25.478 8.876 ( 0.303 14.493 3.291) 14.865 9.279 ( -15.319 -0.024 10.481) 18.561 10.079 ( 19.322 -0.946 -4.205) 19.797 10.199 ( 0.733 -13.583 -5.332) 14.611 12.351 ( -4.283 4.516 -2.001) 6.538 12.415 ( 3.482 2.291 3.777) 5.625 15.302 ( 7.649 1.895 -16.383) 18.180 15.328 ( 10.981 -5.686 -10.852) 16.452 16.736 ( -29.021 9.648 -22.833) 38.166 17.248 ( 25.902 -13.250 17.016) 33.705 24.883 ( -22.146 1.869 -9.383) 24.124 25.354 ( 21.550 1.983 7.864) 23.026 ======================= Grid point 297 (107/146) ======================= q-point: (-0.18 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( 0.561 3.217 -5.996) 6.827 1.618 ( -3.443 -1.919 0.317) 3.954 1.694 ( 3.629 2.637 -1.703) 4.798 2.110 ( 3.524 2.595 -1.723) 4.703 2.271 ( -2.512 3.881 -3.842) 6.011 2.318 ( -1.134 -0.033 -0.934) 1.469 2.546 ( 5.970 2.008 -4.272) 7.611 3.170 ( 35.615 24.049 -32.884) 54.112 3.977 ( -30.881 12.575 -21.032) 39.423 4.737 ( -24.091 3.615 -0.355) 24.364 5.202 ( 7.438 -15.260 14.611) 22.398 5.482 ( -11.151 -3.507 4.089) 12.384 5.766 ( -10.314 1.563 9.439) 14.068 5.966 ( -2.585 -10.154 5.129) 11.666 6.750 ( -24.719 4.749 -4.004) 25.487 7.025 ( -14.773 -2.883 -2.624) 15.279 7.320 ( -5.980 -3.161 1.787) 6.996 8.557 ( -9.947 -2.821 15.543) 18.668 9.037 ( -10.203 -5.075 6.989) 13.367 9.245 ( 12.163 7.351 -5.841) 15.365 9.888 ( 2.004 -15.202 0.605) 15.346 10.595 ( 26.984 6.579 -7.027) 28.650 12.274 ( -6.933 2.407 -2.885) 7.886 12.481 ( 0.773 -0.727 3.213) 3.384 15.286 ( 4.562 3.388 -7.694) 9.564 15.588 ( 17.766 14.751 -19.453) 30.194 16.222 ( -25.539 11.697 -20.321) 34.670 17.617 ( 20.254 -11.235 12.127) 26.144 24.491 ( -23.874 4.195 -1.027) 24.262 25.773 ( 22.577 0.180 2.448) 22.710 ======================= Grid point 304 (108/146) ======================= q-point: ( 0.45 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.552 ( 0.000 -14.390 11.629) 18.501 1.702 ( 0.000 -2.781 0.976) 2.947 1.773 ( -0.000 1.148 -1.056) 1.560 1.983 ( 0.000 -8.995 19.070) 21.085 2.228 ( 0.000 -1.500 0.772) 1.687 2.336 ( -0.000 -13.910 -6.527) 15.365 2.696 ( 0.000 -18.095 11.259) 21.312 3.196 ( -0.000 -45.522 -26.777) 52.814 3.266 ( 0.000 -9.119 22.440) 24.222 4.779 ( 0.000 1.927 15.565) 15.684 4.985 ( 0.000 1.046 9.090) 9.150 5.360 ( 0.000 16.520 15.319) 22.530 5.426 ( 0.000 18.949 4.662) 19.514 6.115 ( 0.000 -9.348 12.685) 15.757 7.083 ( 0.000 7.168 20.336) 21.562 7.148 ( 0.000 23.669 2.246) 23.775 7.244 ( 0.000 -7.332 16.333) 17.903 8.136 ( -0.000 0.347 -15.941) 15.945 8.780 ( 0.000 20.573 6.644) 21.619 9.763 ( 0.000 -5.740 19.723) 20.542 10.339 ( -0.000 -12.165 -7.187) 14.129 10.768 ( -0.000 -15.481 -22.669) 27.451 11.815 ( 0.000 10.487 5.051) 11.641 12.356 ( -0.000 11.581 -3.660) 12.146 15.538 ( 0.000 -27.881 3.381) 28.085 15.667 ( 0.000 -24.593 20.188) 31.818 15.772 ( -0.000 -22.578 -5.402) 23.215 17.925 ( -0.000 7.790 -9.793) 12.513 24.383 ( 0.000 -0.370 18.092) 18.095 25.967 ( -0.000 -2.342 -20.147) 20.282 ======================= Grid point 305 (109/146) ======================= q-point: ( 0.55 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.386 ( -10.526 -18.496 12.962) 24.918 1.693 ( 0.609 -1.658 0.714) 1.905 1.776 ( -0.130 0.450 -1.072) 1.170 1.956 ( -3.157 -32.123 -20.153) 38.052 2.032 ( 3.912 -9.696 13.609) 17.162 2.254 ( 3.059 -3.828 -0.621) 4.940 2.529 ( -3.319 -11.532 4.608) 12.854 2.752 ( -1.125 -19.372 -10.003) 21.831 3.575 ( 25.570 -14.010 24.778) 38.263 4.901 ( 4.864 -0.615 11.345) 12.359 5.256 ( 21.675 -0.655 5.438) 22.357 5.552 ( -5.024 15.352 0.332) 16.157 5.624 ( 2.331 9.138 10.377) 14.022 6.079 ( -2.535 -3.729 8.114) 9.282 7.095 ( -10.606 -6.723 24.504) 27.535 7.168 ( -6.232 2.349 16.200) 17.515 7.569 ( 2.334 22.362 -2.459) 22.618 8.162 ( 15.547 1.450 -12.543) 20.028 9.027 ( -0.444 22.238 4.798) 22.754 9.608 ( -6.991 -19.239 -6.729) 21.548 10.159 ( -14.617 0.637 9.089) 17.224 10.512 ( 3.029 -16.650 -19.058) 25.487 11.996 ( 6.685 7.258 4.893) 11.014 12.428 ( -0.761 9.652 -3.823) 10.409 15.210 ( -4.405 -23.117 3.986) 23.868 15.426 ( -3.030 -21.642 -2.041) 21.949 15.919 ( 23.399 -21.180 19.698) 37.204 17.847 ( -9.520 7.267 -12.233) 17.119 24.521 ( 5.967 -3.094 15.391) 16.794 25.770 ( -7.088 0.514 -18.766) 20.066 ======================= Grid point 306 (110/146) ======================= q-point: ( 0.64 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.159 ( -1.332 -8.431 1.967) 8.759 1.413 ( 1.108 -34.085 -22.305) 40.750 1.710 ( 0.153 -0.762 1.264) 1.484 1.777 ( 2.361 -0.528 -3.892) 4.582 2.155 ( 7.534 -1.529 6.729) 10.217 2.275 ( 2.133 -0.330 0.099) 2.161 2.457 ( 1.769 -6.163 0.223) 6.416 2.563 ( -4.047 -5.827 -2.882) 7.657 4.064 ( 29.602 -16.832 25.641) 42.627 5.079 ( 9.193 -1.437 7.924) 12.222 5.370 ( -17.986 8.779 -8.068) 21.579 5.544 ( 1.120 -0.871 -0.186) 1.431 5.929 ( 17.114 2.530 6.557) 18.501 6.103 ( -1.348 3.613 5.366) 6.608 7.006 ( -8.783 -7.945 25.744) 28.338 7.299 ( 12.569 -4.657 15.157) 20.233 7.661 ( -7.964 20.288 -8.364) 23.345 8.322 ( 4.935 -4.066 -17.441) 18.576 9.176 ( -7.932 9.307 4.476) 13.022 9.341 ( 5.773 1.341 -11.945) 13.335 9.978 ( -16.757 -0.207 14.221) 21.979 10.266 ( -0.085 -17.345 -14.040) 22.315 12.207 ( 7.740 3.775 4.668) 9.795 12.463 ( -1.800 7.205 -3.933) 8.403 15.047 ( 3.046 -12.298 2.015) 12.829 15.209 ( -0.494 -11.874 -4.401) 12.673 16.298 ( 28.444 -20.298 23.151) 41.917 17.587 ( -19.398 8.398 -16.116) 26.581 24.738 ( 13.351 -3.987 12.353) 18.621 25.506 ( -13.410 4.143 -15.349) 20.799 ======================= Grid point 307 (111/146) ======================= q-point: (-0.27 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.174 ( 3.250 -0.591 -3.443) 4.772 1.296 ( 18.868 7.608 -12.001) 23.620 1.712 ( -1.725 1.321 2.644) 3.422 1.812 ( 6.827 1.088 -7.969) 10.549 2.298 ( 3.540 2.779 1.112) 4.636 2.328 ( 3.621 3.411 -1.773) 5.281 2.449 ( -4.271 0.595 -0.466) 4.337 2.471 ( 7.293 -2.769 -2.944) 8.338 4.535 ( 26.771 -17.546 22.969) 39.397 4.955 ( -26.238 11.154 -18.888) 34.199 5.298 ( 6.763 -3.968 10.586) 13.174 5.459 ( -6.595 -1.210 -3.655) 7.636 6.064 ( -3.862 -3.604 6.050) 8.032 6.124 ( -2.566 -1.457 0.805) 3.059 7.022 ( -2.417 -11.455 30.345) 32.525 7.609 ( -10.822 12.272 -14.136) 21.623 7.709 ( 22.695 -3.739 0.599) 23.009 7.971 ( -7.937 -0.471 -19.600) 21.151 9.219 ( -7.448 9.358 12.596) 17.370 9.438 ( 2.984 0.267 -8.311) 8.834 9.861 ( -1.125 0.232 7.614) 7.701 10.020 ( -1.180 -12.910 -7.857) 15.159 12.369 ( 5.453 0.608 4.144) 6.876 12.452 ( -3.199 4.539 -3.837) 6.750 15.092 ( 8.333 -1.610 -0.303) 8.493 15.152 ( 4.093 3.429 -6.142) 8.139 16.750 ( 29.469 -18.032 21.722) 40.809 17.170 ( -26.991 11.080 -19.573) 35.134 25.040 ( 19.023 -4.476 8.289) 21.228 25.218 ( -17.713 7.779 -9.555) 21.577 ======================= Grid point 308 (112/146) ======================= q-point: (-0.18 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.374 ( 1.177 21.160 7.495) 22.479 1.576 ( 9.015 3.726 -3.015) 10.210 1.739 ( -1.715 7.135 6.156) 9.579 1.946 ( 13.020 4.826 -11.332) 17.922 2.330 ( -1.874 2.267 -0.232) 2.950 2.357 ( -1.003 0.806 0.295) 1.320 2.498 ( 3.807 10.534 2.546) 11.487 2.700 ( 22.119 15.333 -18.445) 32.627 4.461 ( -29.207 11.499 -19.492) 36.949 4.890 ( 18.150 -18.422 16.682) 30.775 5.179 ( -19.006 7.450 -1.441) 20.465 5.481 ( 7.453 -7.422 1.612) 10.641 5.933 ( -8.400 -8.785 7.790) 14.437 5.982 ( -6.306 -9.894 0.182) 11.734 7.039 ( -6.105 -12.787 23.120) 27.117 7.106 ( -17.184 -11.870 -28.750) 35.535 7.697 ( -20.289 28.457 4.856) 35.285 8.361 ( 30.985 -7.450 -1.044) 31.885 9.151 ( -14.484 2.769 1.445) 14.817 9.352 ( -0.409 -5.574 6.438) 8.525 9.813 ( -7.913 -0.057 1.941) 8.147 10.153 ( 24.199 1.323 -7.157) 25.270 12.385 ( -5.513 2.272 -2.531) 6.478 12.459 ( 2.772 -2.087 2.662) 4.373 15.250 ( 5.699 12.010 1.449) 13.373 15.353 ( 14.322 14.204 -11.079) 23.014 16.683 ( -29.446 14.598 -19.615) 38.274 17.184 ( 26.335 -16.043 16.010) 34.746 24.937 ( -21.722 11.241 -2.072) 24.546 25.381 ( 22.729 -6.659 2.517) 23.818 ======================= Grid point 316 (113/146) ======================= q-point: ( 0.55 0.55 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.375 ( -0.000 -45.846 -22.953) 51.271 1.420 ( 0.000 -14.042 12.395) 18.730 1.679 ( 0.000 -3.315 4.881) 5.901 1.797 ( 0.000 1.054 1.144) 1.555 2.003 ( 0.000 -16.073 21.605) 26.928 2.221 ( 0.000 -0.467 1.356) 1.434 2.487 ( 0.000 -14.979 9.061) 17.506 2.656 ( 0.000 -4.919 0.431) 4.938 3.355 ( 0.000 -11.034 20.351) 23.150 4.903 ( 0.000 -5.165 8.148) 9.647 5.055 ( 0.000 -1.049 6.280) 6.367 5.713 ( 0.000 0.763 12.499) 12.522 5.774 ( -0.000 12.492 -2.787) 12.800 6.091 ( 0.000 -3.892 5.201) 6.496 7.111 ( 0.000 -23.720 28.889) 37.380 7.570 ( 0.000 11.436 1.750) 11.569 7.767 ( 0.000 21.124 8.862) 22.908 7.875 ( -0.000 6.946 -19.632) 20.825 9.288 ( 0.000 23.778 3.055) 23.974 9.389 ( -0.000 -21.859 -14.528) 26.247 10.200 ( -0.000 -11.972 -19.768) 23.111 10.381 ( 0.000 -1.368 13.452) 13.521 12.029 ( 0.000 5.410 4.226) 6.864 12.489 ( -0.000 7.638 -4.689) 8.963 14.998 ( 0.000 -21.585 2.585) 21.739 15.505 ( 0.000 -22.117 24.926) 33.324 15.510 ( 0.000 -12.979 8.657) 15.602 17.920 ( -0.000 7.082 -11.155) 13.213 24.510 ( 0.000 -7.338 13.097) 15.013 25.735 ( -0.000 4.631 -16.950) 17.571 ======================= Grid point 317 (114/146) ======================= q-point: ( 0.64 0.55 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.999 ( 2.087 -12.700 3.523) 13.344 1.283 ( -10.371 -12.508 16.421) 23.101 1.690 ( 0.674 -2.489 4.189) 4.919 1.781 ( -2.463 0.093 2.002) 3.175 2.057 ( 6.687 -8.622 14.288) 17.978 2.245 ( 1.741 0.380 1.642) 2.423 2.397 ( -0.707 -8.209 3.745) 9.051 2.606 ( -3.767 -0.399 1.744) 4.170 3.608 ( 24.132 -15.647 23.343) 37.042 4.919 ( 6.387 -8.637 5.151) 11.913 5.316 ( 21.317 0.345 5.317) 21.972 5.696 ( -14.608 7.551 -10.646) 19.590 5.788 ( 3.646 -4.807 10.835) 12.402 6.125 ( 2.539 -1.115 2.674) 3.852 7.087 ( 3.372 -24.502 26.411) 36.183 7.329 ( -16.574 -1.589 -3.621) 17.040 7.844 ( 4.136 0.126 -20.432) 20.847 8.228 ( 3.592 28.407 9.129) 30.053 9.072 ( -0.887 -14.494 -15.754) 21.425 9.475 ( -1.550 13.991 -1.602) 14.168 10.030 ( 0.482 -1.753 -10.290) 10.449 10.317 ( -12.385 -5.892 10.241) 17.117 12.148 ( 5.802 2.376 3.974) 7.423 12.513 ( -0.685 5.378 -5.073) 7.425 14.906 ( 2.763 -9.175 8.547) 12.840 15.242 ( -10.089 -8.773 11.320) 17.519 15.822 ( 24.190 -18.344 24.012) 38.707 17.828 ( -10.777 8.294 -12.166) 18.247 24.569 ( 7.699 -9.477 10.518) 16.115 25.642 ( -6.702 9.089 -13.603) 17.680 ======================= Grid point 318 (115/146) ======================= q-point: (-0.27 -0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.107 ( 3.355 2.838 7.679) 8.847 1.322 ( 1.066 22.254 17.375) 28.254 1.698 ( 2.406 -2.184 -2.065) 3.850 1.799 ( -1.508 5.621 7.513) 9.504 2.210 ( 8.164 -0.808 5.264) 9.748 2.323 ( 3.985 4.536 2.598) 6.573 2.361 ( 1.406 -4.200 0.442) 4.451 2.559 ( -4.870 3.626 3.568) 7.042 4.052 ( 28.340 -18.677 24.146) 41.653 5.022 ( 14.080 -12.491 3.869) 19.216 5.343 ( -22.288 6.595 -16.092) 28.270 5.566 ( 0.139 0.196 1.740) 1.756 5.965 ( 13.430 -4.407 1.386) 14.202 6.124 ( -1.312 -5.458 0.545) 5.640 7.113 ( 8.484 -26.344 25.760) 37.809 7.143 ( 4.663 -5.690 -3.144) 8.001 7.630 ( -5.486 -5.860 -25.869) 27.086 8.431 ( -17.906 29.934 4.022) 35.112 9.025 ( 16.777 -7.914 -8.467) 20.391 9.462 ( -0.437 -4.105 -7.068) 8.185 10.015 ( -11.782 0.527 1.465) 11.885 10.079 ( -8.923 5.998 6.684) 12.660 12.289 ( 6.688 -0.921 3.606) 7.654 12.503 ( -1.710 3.189 -4.587) 5.843 15.025 ( 5.742 4.735 11.016) 13.294 15.164 ( -2.248 2.865 5.583) 6.665 16.246 ( 27.647 -18.293 24.893) 41.457 17.567 ( -20.775 11.022 -14.606) 27.684 24.721 ( 15.265 -11.079 6.928) 20.094 25.518 ( -12.332 13.392 -8.400) 20.049 ======================= Grid point 328 (116/146) ======================= q-point: (-0.36 -0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.194 ( 0.000 25.502 25.311) 35.930 1.375 ( 0.000 -8.495 12.920) 15.463 1.744 ( 0.000 -0.644 15.792) 15.805 1.846 ( 0.000 1.540 3.060) 3.426 1.991 ( 0.000 -11.639 21.987) 24.878 2.249 ( 0.000 0.587 2.549) 2.615 2.355 ( 0.000 -9.239 6.011) 11.022 2.676 ( 0.000 1.150 6.912) 7.007 3.376 ( 0.000 -14.031 19.245) 23.817 4.797 ( 0.000 -12.850 2.458) 13.083 5.147 ( 0.000 0.195 8.631) 8.633 5.758 ( 0.000 -9.166 6.158) 11.042 5.814 ( -0.000 0.648 -10.331) 10.352 6.087 ( 0.000 -0.597 1.081) 1.235 6.964 ( 0.000 -26.407 19.533) 32.846 7.361 ( -0.000 -11.650 -26.185) 28.659 7.632 ( -0.000 -3.668 -1.319) 3.898 8.567 ( 0.000 20.659 9.856) 22.890 8.885 ( -0.000 0.151 -12.882) 12.883 9.443 ( -0.000 -6.682 -15.344) 16.735 10.123 ( 0.000 22.325 2.578) 22.473 10.403 ( 0.000 -11.022 6.923) 13.016 12.134 ( 0.000 0.366 3.549) 3.568 12.526 ( -0.000 3.501 -5.512) 6.530 14.927 ( 0.000 0.954 16.791) 16.818 15.475 ( 0.000 -5.311 13.021) 14.063 15.494 ( 0.000 -16.560 29.053) 33.442 17.927 ( -0.000 8.470 -10.155) 13.223 24.457 ( 0.000 -12.944 8.226) 15.337 25.725 ( -0.000 13.620 -10.922) 17.458 ======================= Grid point 329 (117/146) ======================= q-point: (-0.27 -0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.279 ( -10.105 -6.064 17.703) 21.267 1.561 ( 3.752 9.035 6.823) 11.928 1.714 ( -7.564 -3.819 8.895) 12.285 1.981 ( 3.216 7.927 9.860) 13.054 2.165 ( 1.320 4.144 18.348) 18.857 2.309 ( 1.656 -2.339 3.813) 4.770 2.353 ( 3.962 10.276 8.354) 13.823 2.736 ( -3.290 10.739 12.373) 16.711 3.586 ( 23.408 -18.116 22.270) 37.041 4.717 ( 6.929 -16.152 0.599) 17.585 5.393 ( 16.556 -0.781 5.069) 17.333 5.594 ( -12.273 -1.628 -14.935) 19.399 5.703 ( 6.145 -12.639 -0.932) 14.084 6.095 ( -0.834 -3.377 1.850) 3.940 6.799 ( 0.720 -25.612 4.659) 26.043 7.096 ( 1.617 -12.649 -7.416) 14.751 7.523 ( -5.017 -8.662 -6.951) 12.186 8.637 ( 8.974 -9.341 -13.900) 19.000 9.002 ( -8.644 28.957 10.960) 32.146 9.255 ( 2.601 -12.632 -15.768) 20.370 10.209 ( -11.783 -12.805 3.111) 17.677 10.379 ( -3.000 26.844 6.483) 27.779 12.195 ( 4.947 -2.294 3.431) 6.442 12.511 ( -0.458 1.769 -5.030) 5.352 15.128 ( 2.198 8.257 19.960) 21.712 15.347 ( -7.708 2.288 16.048) 17.950 15.843 ( 21.320 -13.534 24.393) 35.110 17.852 ( -11.079 9.550 -10.685) 18.114 24.433 ( 8.329 -15.642 5.044) 18.425 25.766 ( -5.801 17.409 -6.906) 19.607 ======================= Grid point 340 (118/146) ======================= q-point: (-0.27 -0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.391 ( 0.000 -5.742 8.553) 10.301 1.618 ( 0.000 1.778 6.545) 6.782 1.852 ( 0.000 -13.384 15.047) 20.139 1.943 ( 0.000 2.788 4.908) 5.644 2.260 ( 0.000 -7.518 8.142) 11.083 2.305 ( 0.000 0.812 3.565) 3.657 2.586 ( 0.000 10.969 16.893) 20.142 3.135 ( 0.000 37.916 32.947) 50.230 3.318 ( 0.000 -17.959 18.140) 25.526 4.487 ( -0.000 -19.399 -2.266) 19.531 5.258 ( 0.000 -1.797 9.096) 9.272 5.469 ( -0.000 -20.214 -7.259) 21.478 5.508 ( -0.000 -14.848 -15.413) 21.402 6.124 ( 0.000 1.796 1.561) 2.380 6.600 ( 0.000 -29.735 7.628) 30.698 6.828 ( -0.000 -7.363 -22.683) 23.848 7.470 ( 0.000 -13.932 4.079) 14.517 8.389 ( -0.000 -6.605 -15.073) 16.457 8.971 ( -0.000 -15.558 -18.353) 24.060 9.403 ( 0.000 20.109 12.910) 23.896 10.192 ( -0.000 -11.534 -0.464) 11.543 10.718 ( 0.000 28.154 6.888) 28.985 12.147 ( 0.000 -3.644 3.632) 5.145 12.491 ( -0.000 0.411 -4.910) 4.927 15.342 ( 0.000 6.262 23.118) 23.951 15.584 ( 0.000 -14.088 26.376) 29.903 15.696 ( 0.000 12.446 16.554) 20.711 17.962 ( -0.000 7.809 -9.343) 12.176 24.220 ( 0.000 -19.300 2.254) 19.431 25.956 ( -0.000 20.180 -4.530) 20.683 ======================= Grid point 401 (119/146) ======================= q-point: ( 0.27 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 146 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.623 ( 0.000 0.000 20.278) 20.278 1.623 ( 0.000 0.000 20.278) 20.278 1.746 ( 0.000 0.000 0.129) 0.129 1.816 ( -0.000 -0.000 -3.226) 3.226 2.362 ( 0.000 0.000 1.497) 1.497 2.362 ( 0.000 0.000 1.497) 1.497 3.250 ( 0.000 0.000 45.363) 45.363 3.410 ( 0.000 0.000 22.304) 22.304 3.410 ( 0.000 0.000 22.304) 22.304 4.103 ( 0.000 0.000 29.344) 29.344 4.103 ( 0.000 0.000 29.344) 29.344 4.960 ( 0.000 -0.000 8.197) 8.197 4.960 ( 0.000 0.000 8.197) 8.197 6.313 ( -0.000 -0.000 -15.945) 15.945 6.364 ( -0.000 0.000 -4.216) 4.216 6.364 ( -0.000 0.000 -4.216) 4.216 7.510 ( -0.000 -0.000 -1.011) 1.011 8.320 ( -0.000 -0.000 -13.476) 13.476 8.721 ( 0.000 0.000 37.679) 37.679 8.721 ( 0.000 0.000 37.679) 37.679 10.891 ( 0.000 0.000 12.550) 12.550 11.314 ( 0.000 0.000 4.239) 4.239 11.786 ( -0.000 -0.000 -16.791) 16.791 11.786 ( -0.000 -0.000 -16.791) 16.791 16.068 ( 0.000 0.000 16.101) 16.101 16.068 ( 0.000 0.000 16.101) 16.101 17.425 ( -0.000 -0.000 -6.105) 6.105 17.425 ( -0.000 0.000 -6.105) 6.105 23.651 ( 0.000 0.000 29.419) 29.419 26.567 ( -0.000 -0.000 -19.624) 19.624 ======================= Grid point 402 (120/146) ======================= q-point: ( 0.36 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.726 ( -1.394 -0.805 9.175) 9.315 1.748 ( 0.803 0.464 10.543) 10.584 1.797 ( 0.587 0.339 1.296) 1.462 1.808 ( 1.759 1.016 8.463) 8.703 2.319 ( -1.259 -0.727 -0.504) 1.539 2.420 ( 1.310 0.756 0.737) 1.682 2.988 ( -23.008 -13.283 22.870) 35.054 3.745 ( 8.875 5.124 34.526) 36.015 3.846 ( 12.126 7.001 23.703) 27.529 4.309 ( 5.406 3.121 24.366) 25.153 4.513 ( 12.899 7.447 28.298) 31.979 5.047 ( 9.462 5.463 4.215) 11.710 5.206 ( 8.170 4.717 4.932) 10.646 6.032 ( -6.916 -3.993 -16.096) 17.968 6.130 ( -5.873 -3.391 -10.000) 12.082 6.614 ( 9.570 5.525 -0.037) 11.051 7.524 ( 0.939 0.542 1.363) 1.742 8.276 ( 4.227 2.441 -12.996) 13.882 8.778 ( -18.906 -10.915 43.493) 48.664 8.897 ( -2.170 -1.253 35.261) 35.350 11.111 ( -15.777 -9.109 -7.084) 19.547 11.173 ( 14.909 8.608 9.038) 19.444 11.710 ( 0.482 0.278 -16.413) 16.422 11.777 ( 8.456 4.882 -10.035) 14.001 15.929 ( -15.039 -8.683 13.993) 22.301 16.302 ( 5.736 3.311 19.057) 20.175 17.143 ( -9.607 -5.547 -9.628) 14.689 17.537 ( 2.921 1.686 -6.859) 7.644 23.905 ( 4.625 2.670 29.387) 29.868 26.385 ( -4.326 -2.498 -21.598) 22.168 ======================= Grid point 403 (121/146) ======================= q-point: ( 0.45 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.687 ( -11.955 -6.902 15.419) 20.696 1.738 ( -1.165 -0.672 -1.453) 1.980 1.828 ( 0.527 0.304 -1.793) 1.894 1.904 ( 2.675 1.544 8.420) 8.969 2.288 ( -0.874 -0.505 -2.557) 2.749 2.422 ( -1.858 -1.073 1.442) 2.585 2.729 ( -8.748 -5.051 7.618) 12.652 4.209 ( 13.503 7.796 28.199) 32.223 4.262 ( 10.969 6.333 22.778) 26.062 4.519 ( 2.666 1.539 6.077) 6.812 4.990 ( 13.303 7.680 23.989) 28.486 5.172 ( -1.720 -0.993 -3.732) 4.227 5.233 ( -3.322 -1.918 -12.510) 13.085 5.875 ( -1.621 -0.936 -6.546) 6.808 6.224 ( 18.429 10.640 4.652) 21.783 6.825 ( 7.898 4.560 7.624) 11.886 7.560 ( 1.580 0.912 2.552) 3.137 8.355 ( 10.179 5.877 -9.858) 15.341 8.617 ( -18.973 -10.954 41.262) 46.718 9.082 ( -0.691 -0.399 30.456) 30.466 10.616 ( -20.629 -11.910 -18.251) 30.008 11.422 ( 0.415 0.240 -7.793) 7.808 11.716 ( 10.871 6.277 -1.042) 12.596 11.926 ( 8.376 4.836 -4.727) 10.765 15.651 ( -15.426 -8.906 8.552) 19.759 16.582 ( 7.935 4.581 20.505) 22.459 16.866 ( -8.766 -5.061 -14.356) 17.566 17.456 ( -4.927 -2.845 -11.375) 12.719 24.222 ( 7.283 4.205 26.679) 27.974 26.085 ( -9.502 -5.486 -23.088) 25.563 ======================= Grid point 404 (122/146) ======================= q-point: ( 0.55 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.456 ( -10.422 -6.017 3.406) 12.507 1.702 ( -1.380 -0.796 -1.069) 1.919 1.865 ( 5.202 3.003 -8.050) 10.044 1.981 ( 0.333 0.192 3.138) 3.161 2.255 ( 0.224 0.129 -3.385) 3.395 2.362 ( -4.226 -2.440 1.896) 5.235 2.660 ( -1.081 -0.624 -0.069) 1.250 4.261 ( -13.802 -7.969 -21.920) 27.101 4.510 ( -1.838 -1.061 3.108) 3.763 4.774 ( 14.712 8.494 18.718) 25.277 5.049 ( 0.654 0.378 -4.327) 4.393 5.167 ( 3.675 2.122 7.083) 8.256 5.439 ( 12.251 7.073 15.800) 21.207 5.761 ( -6.479 -3.741 -1.732) 7.680 6.726 ( 12.004 6.930 19.478) 23.906 7.027 ( 2.625 1.515 13.967) 14.292 7.712 ( 15.995 9.235 -3.966) 18.890 8.509 ( -13.179 -7.609 33.323) 36.633 8.587 ( 13.167 7.602 -4.186) 15.770 9.278 ( 3.318 1.916 22.085) 22.415 9.982 ( -22.511 -12.997 -25.875) 36.676 11.233 ( -8.086 -4.669 -13.515) 16.427 12.012 ( 11.242 6.491 5.554) 14.120 12.066 ( 6.294 3.634 -2.711) 7.757 15.404 ( -8.764 -5.060 -0.086) 10.121 16.545 ( -10.480 -6.051 -19.218) 22.711 16.912 ( 8.871 5.121 17.244) 20.056 17.181 ( -10.084 -5.822 -15.974) 19.767 24.587 ( 11.346 6.550 22.496) 26.033 25.667 ( -14.357 -8.289 -22.939) 28.302 ======================= Grid point 405 (123/146) ======================= q-point: ( 0.64 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.389 ( 7.569 4.370 -12.831) 15.525 1.653 ( -2.685 -1.550 -1.594) 3.486 1.953 ( 9.779 5.646 -14.685) 18.525 1.964 ( -1.169 -0.675 -2.764) 3.076 2.264 ( 1.961 1.132 -2.317) 3.239 2.279 ( -3.223 -1.861 0.323) 3.736 2.647 ( 0.522 0.301 -3.378) 3.431 3.664 ( -20.165 -11.642 -34.750) 41.830 4.237 ( -12.913 -7.455 -18.999) 24.151 5.092 ( -3.876 -2.238 0.407) 4.494 5.129 ( 8.216 4.743 8.272) 12.587 5.378 ( 7.591 4.383 12.524) 15.287 5.665 ( -0.816 -0.471 10.002) 10.047 5.739 ( 6.107 3.526 10.433) 12.592 6.895 ( -7.253 -4.187 24.867) 26.239 7.108 ( -4.480 -2.586 17.960) 18.690 8.245 ( 32.843 18.962 -9.634) 39.129 8.457 ( -9.463 -5.464 25.848) 28.063 8.664 ( -8.873 -5.123 -13.750) 17.148 9.289 ( -14.805 -8.548 -4.083) 17.577 9.683 ( 17.236 9.951 -0.449) 19.907 10.920 ( -12.553 -7.247 -11.340) 18.404 12.161 ( 3.627 2.094 -1.995) 4.639 12.254 ( 7.255 4.189 5.936) 10.267 15.282 ( 0.975 0.563 -10.241) 10.302 16.159 ( -11.558 -6.673 -21.754) 25.521 16.675 ( -16.192 -9.349 -26.383) 32.336 17.328 ( 11.749 6.784 17.471) 22.120 25.022 ( 15.908 9.184 17.357) 25.272 25.168 ( -17.524 -10.118 -19.634) 28.195 ======================= Grid point 406 (124/146) ======================= q-point: (-0.27 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( 9.141 5.278 -8.673) 13.661 1.548 ( -4.739 -2.736 -5.123) 7.497 1.932 ( 1.022 0.590 -4.756) 4.900 2.046 ( 1.838 1.061 -9.292) 9.531 2.294 ( 1.821 1.051 -2.315) 3.128 2.321 ( 13.665 7.889 -13.892) 21.023 2.598 ( -1.200 -0.693 -18.320) 18.373 3.046 ( -9.689 -5.594 -31.232) 33.176 3.789 ( -14.849 -8.573 -21.367) 27.396 4.845 ( -14.746 -8.514 -2.264) 17.177 5.271 ( 3.335 1.926 -1.756) 4.233 5.564 ( -0.293 -0.169 13.362) 13.366 5.695 ( -6.451 -3.724 7.676) 10.696 5.943 ( 6.486 3.745 13.279) 15.245 6.852 ( -9.572 -5.527 24.212) 26.616 7.052 ( -12.123 -6.999 13.406) 19.382 8.020 ( -24.922 -14.388 -34.247) 44.732 8.421 ( -7.275 -4.200 19.289) 21.039 8.906 ( 31.051 17.927 -10.285) 37.300 9.107 ( -9.675 -5.586 16.404) 19.847 10.188 ( 25.857 14.928 -3.352) 30.044 10.540 ( -15.939 -9.203 -6.752) 19.605 12.194 ( 0.484 0.280 -2.298) 2.365 12.412 ( 3.628 2.095 5.684) 7.061 15.304 ( 9.425 5.441 -20.426) 23.144 15.797 ( -7.401 -4.273 -19.187) 21.004 16.107 ( -16.907 -9.762 -30.574) 36.276 17.688 ( 10.738 6.200 13.935) 18.653 24.660 ( -18.243 -10.532 -12.472) 24.480 25.501 ( 18.344 10.591 11.324) 24.019 ======================= Grid point 413 (125/146) ======================= q-point: ( 0.36 0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.740 ( 0.000 -0.080 1.165) 1.168 1.767 ( -0.000 -0.841 -2.366) 2.511 1.823 ( 0.000 -2.392 11.309) 11.559 1.914 ( 0.000 3.312 15.567) 15.916 2.297 ( -0.000 -2.794 -0.979) 2.960 2.439 ( -0.000 3.780 -1.370) 4.020 3.367 ( 0.000 -19.841 23.104) 30.454 3.526 ( 0.000 -14.077 33.459) 36.300 4.208 ( 0.000 20.785 27.255) 34.276 4.467 ( 0.000 6.470 25.100) 25.921 4.654 ( 0.000 10.125 21.896) 24.123 4.812 ( -0.000 -15.250 -5.922) 16.359 5.501 ( 0.000 31.985 11.767) 34.081 5.621 ( -0.000 -29.219 -15.577) 33.112 6.444 ( -0.000 15.856 -11.421) 19.542 6.466 ( -0.000 8.669 -5.081) 10.048 7.550 ( 0.000 2.977 3.815) 4.839 8.168 ( -0.000 2.201 -13.547) 13.725 8.849 ( 0.000 -28.499 38.487) 47.890 9.378 ( 0.000 7.498 40.258) 40.951 11.108 ( -0.000 -17.342 -7.596) 18.932 11.213 ( 0.000 12.960 7.381) 14.914 11.422 ( -0.000 -6.774 -19.807) 20.933 11.830 ( -0.000 16.924 -9.536) 19.426 16.117 ( 0.000 -10.838 14.644) 18.218 16.283 ( 0.000 -8.855 19.981) 21.855 16.964 ( -0.000 -24.540 -10.099) 26.537 17.582 ( -0.000 12.504 -7.843) 14.761 24.104 ( 0.000 4.386 29.941) 30.261 26.248 ( -0.000 -3.092 -23.362) 23.566 ======================= Grid point 414 (126/146) ======================= q-point: ( 0.45 0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.737 ( -0.757 -0.823 -1.502) 1.872 1.754 ( 0.967 0.583 -0.566) 1.263 1.864 ( -0.332 -7.694 11.029) 13.451 2.010 ( -3.730 1.480 12.842) 13.455 2.265 ( -0.386 -1.884 -1.952) 2.740 2.447 ( -0.893 1.250 -1.713) 2.301 2.980 ( -22.837 -15.891 18.611) 33.473 3.932 ( 24.392 -13.485 28.365) 39.767 4.437 ( -4.927 -13.837 -5.963) 15.853 4.600 ( 5.950 2.198 7.548) 9.859 4.778 ( 4.393 2.992 14.377) 15.328 4.992 ( 12.536 9.989 17.748) 23.915 5.489 ( 18.862 -13.325 -4.358) 23.502 5.721 ( -16.801 24.265 2.026) 29.583 6.417 ( -5.518 25.926 -1.031) 26.527 6.725 ( 12.889 8.513 -1.727) 15.543 7.604 ( -1.579 2.259 7.242) 7.749 8.165 ( 7.640 2.601 -11.603) 14.134 8.816 ( -1.402 -25.678 35.502) 43.837 9.563 ( -14.569 8.696 36.469) 40.223 10.676 ( -17.342 -16.760 -18.365) 30.314 11.236 ( 6.286 -11.328 -17.466) 21.746 11.566 ( 12.702 10.898 5.578) 17.641 11.947 ( 0.944 16.115 -6.069) 17.246 15.876 ( -17.044 -14.997 12.334) 25.837 16.491 ( 14.229 -10.997 19.847) 26.782 16.642 ( 1.325 -27.424 -11.694) 29.842 17.572 ( -8.050 10.620 -11.283) 17.462 24.357 ( 2.971 3.325 27.649) 28.007 26.011 ( -5.609 -3.942 -24.505) 25.446 ======================= Grid point 415 (127/146) ======================= q-point: ( 0.55 0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.672 ( -16.184 -15.032 13.468) 25.870 1.712 ( -2.487 -1.601 0.970) 3.113 1.781 ( 2.321 0.431 -4.014) 4.656 2.030 ( -2.537 1.624 4.709) 5.590 2.221 ( -0.130 -1.820 -2.688) 3.249 2.408 ( -2.535 -1.858 -0.638) 3.207 2.698 ( -7.160 -6.967 5.196) 11.261 3.899 ( -1.051 -41.658 -28.354) 50.403 4.434 ( 22.879 -8.734 24.122) 34.374 4.826 ( 1.765 2.130 1.211) 3.019 4.937 ( -2.824 16.834 11.075) 20.348 5.396 ( 11.767 8.567 10.688) 18.058 5.592 ( -17.243 22.235 -3.311) 28.332 5.720 ( 12.426 -4.317 1.789) 13.275 6.687 ( 9.651 15.358 10.770) 21.095 7.037 ( 9.974 9.454 5.503) 14.803 7.639 ( -0.695 1.091 7.824) 7.930 8.334 ( 15.519 3.116 -5.613) 16.795 8.798 ( -3.354 -12.158 26.900) 29.710 9.608 ( -14.100 6.971 29.448) 33.385 10.039 ( -21.994 -15.476 -25.980) 37.392 11.070 ( 2.949 -14.678 -17.521) 23.046 11.917 ( 12.272 8.394 6.484) 16.221 12.076 ( 1.392 12.950 -4.088) 13.651 15.527 ( -14.370 -13.533 5.993) 20.629 16.281 ( 0.680 -29.033 -16.252) 33.279 16.811 ( 17.433 -9.379 21.161) 28.977 17.357 ( -17.655 9.027 -17.729) 26.599 24.636 ( 7.033 2.563 24.189) 25.320 25.668 ( -11.387 -4.437 -24.095) 27.017 ======================= Grid point 416 (128/146) ======================= q-point: ( 0.64 0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.318 ( -10.120 -8.972 -1.001) 13.561 1.675 ( -2.329 -0.996 -0.892) 2.686 1.807 ( 3.692 1.057 -6.194) 7.288 1.967 ( -3.726 -2.706 -5.162) 6.918 2.227 ( 2.466 0.691 -0.758) 2.671 2.327 ( -3.824 -2.674 -0.194) 4.670 2.617 ( -0.345 -3.517 -0.357) 3.552 3.274 ( -1.764 -40.699 -30.060) 50.627 4.535 ( -22.212 13.507 -16.849) 30.979 4.952 ( 19.078 -9.106 13.963) 25.335 5.131 ( 2.682 6.460 10.735) 12.813 5.490 ( -8.635 6.932 -4.022) 11.781 5.712 ( 4.846 10.303 3.787) 11.999 5.866 ( 0.750 9.469 12.169) 15.437 7.019 ( 4.693 -3.163 17.773) 18.652 7.262 ( 1.378 2.174 16.792) 16.988 7.828 ( 21.110 8.173 -3.410) 22.892 8.512 ( 3.337 -6.489 -7.525) 10.481 8.802 ( -8.452 -0.822 12.330) 14.971 9.427 ( -10.943 -4.936 -19.579) 22.967 9.661 ( -5.732 5.436 20.891) 22.334 10.827 ( -1.256 -16.418 -14.956) 22.245 12.170 ( 1.320 9.383 -2.217) 9.731 12.209 ( 8.049 5.588 5.272) 11.127 15.255 ( -6.930 -7.322 -2.875) 10.483 15.892 ( -0.226 -27.455 -19.084) 33.436 16.918 ( -25.240 9.096 -23.604) 35.735 17.186 ( 18.206 -7.541 18.268) 26.871 24.968 ( 12.202 2.877 19.598) 23.265 25.250 ( -15.596 -3.707 -20.590) 26.094 ======================= Grid point 417 (129/146) ======================= q-point: (-0.27 0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.284 ( 13.827 7.060 -18.551) 24.190 1.565 ( -4.713 -4.219 -8.179) 10.340 1.821 ( 3.718 -5.501 -10.971) 12.824 1.876 ( 4.774 0.909 -8.190) 9.524 2.239 ( -3.237 -0.450 -3.626) 4.882 2.275 ( 1.919 2.862 -1.930) 3.949 2.535 ( -4.771 -9.419 -7.001) 12.669 2.767 ( 1.591 -17.865 -19.173) 26.254 4.088 ( -28.403 13.939 -23.990) 39.706 5.001 ( -11.364 -0.530 -2.224) 11.592 5.375 ( 3.627 8.012 7.177) 11.352 5.431 ( 6.537 -6.777 7.699) 12.163 5.822 ( -3.300 3.501 3.476) 5.935 6.046 ( 0.098 7.563 9.880) 12.443 7.036 ( -5.858 -9.405 16.935) 20.237 7.326 ( -10.075 -1.819 22.260) 24.501 7.976 ( -18.574 -18.084 -38.730) 46.605 8.420 ( 34.046 10.862 -8.976) 36.846 8.714 ( -11.956 1.301 18.023) 21.667 9.342 ( -6.988 1.692 11.309) 13.401 9.912 ( 18.292 9.951 1.638) 20.888 10.524 ( -5.148 -17.820 -10.133) 21.136 12.220 ( -1.556 6.285 -3.092) 7.175 12.402 ( 5.213 2.826 5.858) 8.335 15.129 ( 1.672 0.955 -13.231) 13.370 15.534 ( 0.917 -20.386 -18.006) 27.214 16.366 ( -29.104 10.146 -28.868) 42.230 17.548 ( 17.872 -5.764 15.900) 24.606 24.811 ( -17.890 -2.663 -13.960) 22.847 25.366 ( 16.649 4.099 13.885) 22.063 ======================= Grid point 425 (130/146) ======================= q-point: ( 0.45 0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.726 ( -0.000 -0.797 -1.062) 1.328 1.742 ( -0.000 0.396 -1.848) 1.890 1.856 ( 0.000 -8.541 10.866) 13.821 2.137 ( 0.000 1.029 11.603) 11.648 2.245 ( -0.000 -0.773 -1.637) 1.810 2.436 ( -0.000 -1.592 -4.228) 4.518 3.258 ( 0.000 -24.308 24.656) 34.624 3.659 ( 0.000 -14.230 28.603) 31.947 3.921 ( -0.000 -46.241 -28.644) 54.394 4.815 ( 0.000 7.684 18.961) 20.459 4.971 ( 0.000 12.109 18.407) 22.033 5.093 ( 0.000 17.404 10.334) 20.241 5.212 ( -0.000 -1.405 -4.801) 5.003 6.111 ( 0.000 11.400 0.830) 11.430 6.675 ( -0.000 23.201 -8.507) 24.712 6.724 ( 0.000 24.166 5.907) 24.878 7.711 ( 0.000 -0.694 15.452) 15.467 8.026 ( -0.000 1.087 -13.826) 13.869 8.813 ( 0.000 -20.004 30.862) 36.778 9.973 ( 0.000 1.303 31.800) 31.826 10.570 ( -0.000 -19.193 -15.753) 24.830 10.878 ( -0.000 -12.512 -25.336) 28.258 11.623 ( 0.000 13.399 6.634) 14.951 12.059 ( -0.000 16.123 -5.842) 17.149 16.028 ( 0.000 -17.447 12.845) 21.665 16.254 ( -0.000 -32.028 -11.679) 34.091 16.268 ( 0.000 -20.909 22.772) 30.915 17.674 ( -0.000 10.476 -12.045) 15.964 24.528 ( 0.000 0.204 25.799) 25.800 25.864 ( -0.000 -2.616 -25.184) 25.319 ======================= Grid point 426 (131/146) ======================= q-point: ( 0.55 0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.710 ( -0.768 -1.032 0.130) 1.293 1.730 ( 0.531 -2.730 -1.426) 3.125 1.822 ( -4.012 -9.932 11.595) 15.785 2.146 ( -5.736 -1.685 1.922) 6.279 2.220 ( -2.238 -2.389 3.858) 5.060 2.367 ( 1.350 -6.611 -5.730) 8.852 2.885 ( -21.318 -18.283 17.432) 33.054 3.286 ( 0.079 -44.653 -26.148) 51.745 4.038 ( 27.710 -15.491 27.279) 41.856 4.937 ( -1.080 5.759 9.738) 11.365 5.227 ( -4.835 16.361 5.671) 17.979 5.326 ( 17.087 -1.538 -2.559) 17.346 5.412 ( 12.088 13.762 10.394) 21.061 6.011 ( -13.756 10.558 -5.452) 18.177 6.872 ( -2.831 15.825 6.058) 17.180 7.053 ( 5.596 26.428 -1.952) 27.084 7.772 ( -3.444 -7.267 23.742) 25.066 8.057 ( 13.377 1.223 -10.946) 17.328 8.865 ( 0.880 -7.072 22.248) 23.362 9.914 ( -12.998 -17.637 -8.653) 23.556 10.220 ( -16.959 0.385 11.873) 20.705 10.685 ( 8.018 -15.658 -22.405) 28.486 11.866 ( 8.914 10.035 6.197) 14.784 12.169 ( 0.008 14.109 -5.312) 15.076 15.695 ( -16.837 -20.532 11.457) 28.919 15.881 ( -0.543 -30.122 -10.881) 32.032 16.476 ( 21.562 -20.017 23.073) 37.389 17.589 ( -11.223 9.649 -15.704) 21.580 24.705 ( 3.697 -2.682 23.074) 23.521 25.630 ( -6.235 -1.003 -24.483) 25.284 ======================= Grid point 427 (132/146) ======================= q-point: ( 0.64 0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.508 ( -18.980 -18.953 14.505) 30.493 1.692 ( -1.830 -2.450 -1.295) 3.321 1.756 ( -0.661 -0.331 -1.001) 1.245 1.903 ( -4.540 -18.107 -14.117) 23.404 2.212 ( -0.004 -0.259 5.171) 5.177 2.307 ( 1.267 -4.381 -3.674) 5.856 2.610 ( -5.521 -8.505 4.492) 11.090 2.788 ( -1.639 -26.311 -15.073) 30.367 4.533 ( 27.337 -13.845 24.254) 39.080 4.924 ( -15.200 13.467 -12.839) 24.026 5.283 ( -2.242 4.669 10.008) 11.269 5.478 ( 4.320 2.189 -8.020) 9.369 5.852 ( 16.311 7.418 7.602) 19.464 5.941 ( -6.151 15.387 -1.469) 16.635 7.045 ( 3.517 9.040 13.312) 16.471 7.272 ( 3.144 13.097 -7.297) 15.319 7.793 ( -2.753 -11.215 28.563) 30.809 8.261 ( 12.202 -1.101 -15.217) 19.536 8.977 ( -1.541 4.337 13.871) 14.615 9.367 ( -10.693 -11.097 -23.423) 28.038 10.088 ( -17.839 1.775 22.287) 28.602 10.501 ( 5.499 -17.910 -19.097) 26.752 12.145 ( 9.612 6.248 5.950) 12.916 12.255 ( -0.488 11.285 -4.883) 12.306 15.335 ( -12.894 -13.995 6.870) 20.231 15.523 ( -0.581 -25.755 -11.989) 28.414 16.831 ( 23.886 -17.682 23.377) 37.811 17.281 ( -22.274 10.165 -21.255) 32.422 24.919 ( 9.137 -3.701 19.870) 22.182 25.329 ( -11.604 1.406 -21.250) 24.253 ======================= Grid point 428 (133/146) ======================= q-point: ( 0.73 0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.157 ( -8.469 -5.206 -0.004) 9.941 1.405 ( -2.366 -22.972 -18.994) 29.901 1.724 ( -0.941 -1.226 0.215) 1.561 1.771 ( 2.548 -1.073 -4.043) 4.898 2.256 ( -0.285 1.239 -0.740) 1.471 2.270 ( 0.383 1.282 -1.620) 2.101 2.497 ( -5.354 -6.958 -3.658) 9.511 2.549 ( 2.203 -6.582 -2.304) 7.313 4.553 ( -27.860 15.414 -22.703) 39.105 4.977 ( 21.810 -11.131 17.782) 30.262 5.304 ( -10.017 2.512 1.186) 10.395 5.491 ( 5.409 -0.486 0.478) 5.452 5.992 ( -5.409 13.344 0.392) 14.404 6.123 ( 4.128 3.389 3.530) 6.402 7.193 ( -7.358 6.582 8.695) 13.156 7.477 ( 12.529 -1.672 11.434) 17.044 7.836 ( -11.341 -10.179 -16.366) 22.363 7.996 ( 7.500 -10.189 -7.633) 14.776 9.045 ( -8.431 10.212 12.997) 18.555 9.335 ( 13.630 5.395 -7.259) 16.358 9.958 ( -10.986 -0.980 15.472) 19.001 10.279 ( 2.411 -19.151 -13.762) 23.706 12.300 ( -1.827 8.246 -4.386) 9.516 12.367 ( 6.974 2.995 5.442) 9.339 15.104 ( -6.590 -3.436 -2.666) 7.896 15.247 ( 0.978 -15.594 -9.031) 18.047 16.791 ( -29.711 12.229 -25.423) 40.971 17.218 ( 23.338 -14.869 20.373) 34.363 25.007 ( -15.341 4.579 -14.357) 21.504 25.203 ( 14.629 -3.634 14.502) 20.917 ======================= Grid point 437 (134/146) ======================= q-point: ( 0.55 0.55 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.686 ( 0.000 -5.484 1.081) 5.590 1.713 ( 0.000 -0.530 0.881) 1.028 1.840 ( 0.000 -5.295 8.141) 9.711 2.039 ( -0.000 -32.354 -20.196) 38.140 2.223 ( -0.000 0.313 -0.951) 1.001 2.268 ( 0.000 -3.520 8.171) 8.897 2.819 ( -0.000 -22.944 -10.870) 25.389 3.102 ( 0.000 -27.344 27.420) 38.724 3.745 ( 0.000 -13.907 25.546) 29.086 5.039 ( 0.000 -1.536 9.886) 10.004 5.107 ( 0.000 -1.271 2.386) 2.703 5.459 ( -0.000 17.546 -1.807) 17.638 5.547 ( 0.000 16.679 4.170) 17.192 6.107 ( -0.000 0.337 -8.919) 8.926 7.165 ( 0.000 34.608 -0.706) 34.615 7.280 ( 0.000 19.203 2.619) 19.380 7.818 ( -0.000 -3.579 -14.764) 15.192 7.881 ( 0.000 -17.168 35.990) 39.875 8.970 ( 0.000 5.410 14.771) 15.730 9.722 ( -0.000 -24.700 -20.647) 32.193 10.288 ( -0.000 -12.411 -25.708) 28.547 10.508 ( 0.000 -0.126 20.555) 20.555 11.918 ( 0.000 9.241 5.014) 10.514 12.262 ( -0.000 12.500 -5.807) 13.783 15.493 ( -0.000 -29.641 -4.756) 30.020 15.878 ( 0.000 -17.181 12.658) 21.340 16.144 ( 0.000 -24.662 27.185) 36.705 17.675 ( -0.000 9.125 -15.265) 17.784 24.767 ( 0.000 -7.404 20.933) 22.204 25.530 ( -0.000 2.525 -23.724) 23.858 ======================= Grid point 438 (135/146) ======================= q-point: ( 0.64 0.55 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.493 ( -2.105 -36.779 -17.742) 40.889 1.625 ( -3.102 -10.183 6.273) 12.356 1.730 ( -0.134 -1.092 1.765) 2.080 1.818 ( -4.127 -3.684 6.785) 8.755 2.237 ( 1.319 0.336 -1.042) 1.714 2.266 ( -1.506 -4.321 7.125) 8.468 2.632 ( -2.808 -8.014 -1.570) 8.636 2.770 ( -19.469 -17.724 18.533) 32.197 4.083 ( 27.597 -16.303 25.765) 41.124 5.066 ( 2.025 -1.065 3.624) 4.285 5.312 ( 14.207 4.082 -2.627) 15.013 5.453 ( -10.338 6.834 -4.820) 13.297 5.743 ( 5.376 10.462 1.372) 11.842 6.066 ( 1.241 5.235 -6.768) 8.646 7.251 ( -10.346 5.529 -1.777) 11.864 7.449 ( -4.791 28.511 -6.574) 29.649 7.855 ( 6.202 -15.447 14.172) 21.861 7.984 ( 7.279 -5.186 16.450) 18.721 9.145 ( -0.190 12.591 6.401) 14.126 9.253 ( -8.369 -15.668 -21.915) 28.210 10.088 ( 6.883 -12.510 -20.987) 25.383 10.499 ( -13.373 -3.365 17.630) 22.383 12.094 ( 7.292 6.118 4.656) 10.597 12.329 ( -0.270 10.071 -5.911) 11.681 15.231 ( -0.023 -20.839 -0.241) 20.841 15.559 ( -18.713 -15.289 13.718) 27.787 16.395 ( 24.344 -21.783 26.965) 42.358 17.552 ( -13.080 10.076 -17.296) 23.911 24.855 ( 5.502 -10.037 18.495) 21.750 25.375 ( -5.872 6.560 -20.714) 22.507 ======================= Grid point 449 (136/146) ======================= q-point: (-0.36 -0.36 -0.73) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.166 ( 0.000 -14.641 3.592) 15.075 1.598 ( 0.000 -7.068 4.978) 8.645 1.766 ( 0.000 2.004 5.492) 5.846 1.867 ( 0.000 -1.540 5.717) 5.921 2.238 ( 0.000 1.468 0.646) 1.604 2.256 ( 0.000 -6.118 4.209) 7.426 2.608 ( 0.000 -3.972 1.413) 4.216 2.983 ( 0.000 -24.360 31.796) 40.055 3.796 ( 0.000 -14.744 23.555) 27.789 5.043 ( 0.000 -8.712 5.459) 10.281 5.159 ( 0.000 2.839 3.221) 4.294 5.635 ( -0.000 9.983 -11.055) 14.896 5.780 ( -0.000 5.976 -2.782) 6.592 5.995 ( -0.000 3.425 -11.642) 12.135 7.389 ( -0.000 -2.917 -8.633) 9.112 7.392 ( -0.000 -7.115 -24.999) 25.991 8.011 ( 0.000 36.506 12.155) 38.476 8.014 ( 0.000 -24.164 42.677) 49.043 8.984 ( -0.000 -17.623 -24.968) 30.562 9.316 ( 0.000 12.148 -0.745) 12.171 9.838 ( -0.000 1.727 -15.243) 15.340 10.667 ( 0.000 -8.693 14.210) 16.658 12.108 ( 0.000 4.720 3.478) 5.863 12.377 ( -0.000 7.966 -6.248) 10.124 15.102 ( 0.000 -10.663 7.582) 13.084 15.770 ( 0.000 -13.903 17.047) 21.997 16.081 ( 0.000 -22.093 31.696) 38.636 17.656 ( -0.000 10.667 -15.333) 18.678 24.805 ( 0.000 -14.354 16.780) 22.082 25.379 ( -0.000 11.698 -18.553) 21.933 ======================= Grid point 534 (137/146) ======================= q-point: ( 0.36 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 146 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.734 ( -0.000 -0.000 -0.942) 0.942 1.759 ( -0.000 -0.000 -2.440) 2.440 1.947 ( 0.000 -0.000 12.846) 12.846 1.947 ( 0.000 0.000 12.846) 12.846 2.349 ( -0.000 -0.000 -2.426) 2.426 2.349 ( -0.000 0.000 -2.426) 2.426 3.870 ( 0.000 0.000 23.779) 23.779 3.870 ( 0.000 0.000 23.779) 23.779 4.104 ( 0.000 0.000 40.631) 40.631 4.622 ( 0.000 0.000 18.142) 18.142 4.622 ( 0.000 0.000 18.142) 18.142 5.085 ( 0.000 -0.000 8.122) 8.122 5.085 ( 0.000 0.000 8.122) 8.122 5.944 ( -0.000 -0.000 -21.532) 21.532 6.177 ( -0.000 0.000 -13.753) 13.753 6.177 ( -0.000 0.000 -13.753) 13.753 7.528 ( 0.000 0.000 3.000) 3.000 8.053 ( -0.000 -0.000 -13.207) 13.207 9.507 ( 0.000 0.000 39.952) 39.952 9.507 ( 0.000 0.000 39.952) 39.952 11.118 ( 0.000 0.000 10.139) 10.139 11.373 ( 0.000 0.000 1.534) 1.534 11.397 ( -0.000 -0.000 -22.644) 22.644 11.397 ( -0.000 -0.000 -22.644) 22.644 16.409 ( 0.000 0.000 17.882) 17.882 16.409 ( 0.000 0.000 17.882) 17.882 17.273 ( -0.000 -0.000 -9.367) 9.367 17.273 ( -0.000 0.000 -9.367) 9.367 24.274 ( 0.000 0.000 33.049) 33.049 26.119 ( -0.000 -0.000 -25.577) 25.577 ======================= Grid point 535 (138/146) ======================= q-point: ( 0.45 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.735 ( 0.706 0.407 -1.150) 1.409 1.737 ( -0.609 -0.352 -1.693) 1.833 1.996 ( -0.241 -0.139 9.393) 9.397 2.076 ( 0.768 0.443 11.920) 11.953 2.278 ( -1.769 -1.021 -3.473) 4.030 2.392 ( 2.362 1.363 -3.022) 4.070 3.471 ( -31.357 -18.104 25.975) 44.562 4.307 ( 11.837 6.834 22.078) 25.967 4.385 ( 3.417 1.973 29.221) 29.486 4.583 ( -5.114 -2.953 -1.941) 6.216 4.903 ( 11.010 6.357 4.669) 13.543 5.189 ( 6.016 3.473 14.351) 15.944 5.262 ( -4.634 -2.676 2.137) 5.762 5.745 ( 3.731 2.154 -8.339) 9.386 5.918 ( 2.524 1.457 -10.484) 10.881 6.511 ( 19.328 11.159 -9.896) 24.414 7.575 ( 1.331 0.768 4.342) 4.606 8.022 ( 5.433 3.137 -12.359) 13.860 9.613 ( -17.123 -9.886 39.718) 44.368 9.624 ( -6.313 -3.645 36.924) 37.637 10.831 ( -21.789 -12.580 -21.099) 32.836 11.257 ( 2.139 1.235 -13.214) 13.443 11.421 ( 13.573 7.836 -0.675) 15.687 11.629 ( 12.090 6.980 -5.403) 14.970 16.215 ( -18.703 -10.798 14.681) 26.114 16.693 ( 7.098 4.098 19.993) 21.608 16.938 ( -12.110 -6.992 -11.264) 17.956 17.350 ( 1.112 0.642 -12.176) 12.243 24.513 ( 1.878 1.084 31.762) 31.836 25.904 ( -3.948 -2.279 -26.925) 27.308 ======================= Grid point 536 (139/146) ======================= q-point: ( 0.55 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.714 ( -0.741 -0.428 -0.689) 1.098 1.747 ( 1.215 0.701 -2.024) 2.463 2.038 ( -0.967 -0.558 4.552) 4.687 2.047 ( -13.799 -7.967 15.367) 22.137 2.220 ( -0.984 -0.568 -3.682) 3.853 2.406 ( 0.323 0.187 -2.708) 2.733 2.959 ( -24.303 -14.031 16.187) 32.396 4.294 ( -14.407 -8.318 -21.145) 26.905 4.581 ( -2.327 -1.343 0.726) 2.783 4.724 ( 11.424 6.596 19.895) 23.870 4.949 ( 2.255 1.302 -6.689) 7.178 5.240 ( -2.097 -1.211 6.223) 6.678 5.311 ( 11.126 6.424 5.317) 13.904 5.848 ( 0.923 0.533 5.161) 5.270 6.331 ( 29.371 16.957 6.271) 34.489 6.896 ( 18.005 10.395 -0.151) 20.790 7.619 ( -0.347 -0.200 4.991) 5.007 8.152 ( 13.216 7.630 -10.369) 18.450 9.413 ( -21.930 -12.661 37.437) 45.197 9.710 ( -6.447 -3.722 31.987) 32.842 10.147 ( -24.915 -14.385 -28.634) 40.591 11.120 ( -2.111 -1.219 -20.611) 20.755 11.799 ( 15.125 8.732 6.697) 18.704 11.841 ( 9.866 5.696 -4.267) 12.165 15.832 ( -21.872 -12.628 9.642) 27.033 16.582 ( -12.709 -7.338 -14.380) 20.547 16.982 ( 5.957 3.439 17.158) 18.486 17.168 ( -7.275 -4.200 -15.298) 17.453 24.768 ( 3.428 1.979 28.483) 28.757 25.591 ( -8.219 -4.745 -26.528) 28.174 ======================= Grid point 537 (140/146) ======================= q-point: ( 0.64 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.642 ( -28.669 -16.552 15.224) 36.437 1.689 ( -1.615 -0.933 -0.205) 1.877 1.760 ( 0.960 0.554 -2.496) 2.731 1.978 ( -4.172 -2.409 -4.130) 6.345 2.211 ( 1.130 0.653 -0.447) 1.380 2.363 ( -2.804 -1.619 -2.038) 3.826 2.690 ( -6.940 -4.007 3.421) 8.713 3.700 ( -22.044 -12.727 -31.243) 40.300 4.242 ( -13.219 -7.632 -23.371) 27.913 5.054 ( 7.131 4.117 8.272) 11.672 5.110 ( 3.880 2.240 3.512) 5.693 5.348 ( 8.386 4.841 8.889) 13.144 5.583 ( 10.881 6.282 -0.674) 12.582 5.875 ( -0.991 -0.572 12.734) 12.785 7.055 ( 26.697 15.414 12.109) 33.120 7.238 ( 9.732 5.619 6.709) 13.088 7.646 ( 3.091 1.785 0.940) 3.691 8.398 ( 10.737 6.199 -15.976) 20.222 9.180 ( -19.446 -11.227 32.284) 39.325 9.418 ( -18.148 -10.478 -28.913) 35.708 9.769 ( -5.821 -3.361 26.335) 27.179 10.912 ( -4.755 -2.745 -18.816) 19.601 12.005 ( 7.231 4.175 -3.676) 9.124 12.136 ( 11.145 6.434 6.648) 14.484 15.423 ( -17.753 -10.250 2.174) 20.614 16.181 ( -13.878 -8.013 -17.327) 23.602 16.688 ( -16.980 -9.804 -26.289) 32.795 17.335 ( 9.192 5.307 18.551) 21.372 25.051 ( 6.605 3.813 24.262) 25.432 25.206 ( -11.380 -6.570 -23.201) 26.663 ======================= Grid point 546 (141/146) ======================= q-point: ( 0.45 0.45 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.725 ( -0.000 0.265 -0.919) 0.956 1.729 ( -0.000 -0.331 -1.261) 1.304 2.035 ( 0.000 -3.740 8.878) 9.633 2.158 ( 0.000 3.357 9.407) 9.988 2.250 ( -0.000 -1.912 -3.659) 4.129 2.380 ( -0.000 3.645 -4.375) 5.694 3.851 ( 0.000 -19.407 24.951) 31.610 4.150 ( 0.000 -14.188 29.375) 32.622 4.475 ( -0.000 -24.112 -20.123) 31.406 4.717 ( 0.000 13.681 23.373) 27.083 4.881 ( 0.000 9.618 0.421) 9.627 4.969 ( 0.000 -8.016 15.101) 17.097 5.356 ( -0.000 -15.480 -9.298) 18.058 5.774 ( 0.000 27.162 15.398) 31.223 6.160 ( -0.000 21.128 -16.890) 27.050 6.289 ( -0.000 19.612 -11.025) 22.499 7.643 ( 0.000 6.506 6.125) 8.936 7.911 ( -0.000 1.804 -12.089) 12.223 9.619 ( 0.000 -29.963 37.820) 48.251 10.136 ( 0.000 4.827 35.688) 36.013 10.835 ( -0.000 -19.587 -20.095) 28.062 10.917 ( -0.000 -9.636 -27.145) 28.804 11.404 ( 0.000 13.482 7.326) 15.344 11.669 ( -0.000 19.593 -6.878) 20.765 16.413 ( 0.000 -13.626 14.912) 20.200 16.684 ( 0.000 -6.320 20.113) 21.082 16.749 ( -0.000 -25.998 -11.753) 28.531 17.376 ( -0.000 11.819 -13.017) 17.582 24.716 ( 0.000 0.020 31.584) 31.584 25.735 ( -0.000 -2.127 -28.360) 28.439 ======================= Grid point 547 (142/146) ======================= q-point: ( 0.55 0.45 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.717 ( -0.410 -0.212 -0.319) 0.561 1.726 ( 0.534 0.136 -1.165) 1.288 2.055 ( 0.650 -5.231 7.685) 9.319 2.164 ( -3.676 -1.680 -1.806) 4.427 2.259 ( -1.041 1.340 5.712) 5.958 2.379 ( 0.745 0.925 -4.999) 5.138 3.424 ( -33.108 -21.727 25.634) 47.174 3.955 ( -1.610 -40.320 -26.789) 48.435 4.480 ( 20.165 -11.590 22.900) 32.640 4.818 ( -8.608 4.712 -7.416) 12.300 4.962 ( -1.354 16.962 14.059) 22.073 5.171 ( 11.218 6.902 -3.236) 13.563 5.509 ( 24.329 -8.329 8.941) 27.225 5.688 ( -21.973 16.521 -5.829) 28.102 6.465 ( 0.445 33.695 6.241) 34.271 6.621 ( 22.475 13.245 -7.879) 27.251 7.747 ( -2.740 9.332 8.149) 12.689 7.937 ( 10.086 3.418 -10.931) 15.261 9.543 ( -2.777 -31.447 35.968) 47.857 10.155 ( -19.639 -13.654 -10.111) 25.969 10.290 ( -19.730 1.146 12.748) 23.518 10.812 ( 10.569 -13.256 -24.864) 30.094 11.700 ( 12.292 11.518 6.959) 18.226 11.829 ( 2.670 16.727 -6.102) 18.005 16.128 ( -21.237 -16.490 13.001) 29.866 16.384 ( -1.850 -28.570 -12.823) 31.370 16.913 ( 14.951 -8.998 20.619) 27.012 17.290 ( -11.771 9.620 -17.055) 22.847 24.920 ( 1.658 -1.722 29.033) 29.131 25.488 ( -4.718 -2.137 -28.055) 28.529 ======================= Grid point 548 (143/146) ======================= q-point: ( 0.64 0.45 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.706 ( -1.043 -0.414 0.616) 1.280 1.726 ( 0.511 -0.403 -1.677) 1.799 1.987 ( -10.855 -12.421 11.358) 20.028 2.018 ( -8.159 -6.023 -3.908) 10.868 2.239 ( -4.698 0.808 5.144) 7.013 2.350 ( 0.169 -2.064 -5.062) 5.469 2.881 ( -22.390 -14.732 14.262) 30.360 3.335 ( -2.887 -41.232 -26.991) 49.365 4.530 ( -22.620 13.819 -20.296) 33.385 4.885 ( 20.737 -7.943 13.669) 26.076 5.163 ( -2.487 12.511 8.824) 15.511 5.394 ( 10.293 2.869 -6.640) 12.580 5.552 ( -7.347 20.156 -3.162) 21.686 5.862 ( 14.250 -3.085 9.186) 17.232 6.874 ( 15.398 21.122 7.106) 27.088 7.037 ( 17.473 5.345 -2.619) 18.459 7.835 ( -6.642 11.936 11.151) 17.633 8.137 ( 14.568 4.223 -13.516) 20.316 9.408 ( -8.240 -25.041 26.669) 37.499 9.431 ( -19.851 -15.144 -26.975) 36.757 10.191 ( -18.805 4.204 26.574) 32.825 10.672 ( 6.960 -13.244 -22.670) 27.162 11.980 ( 2.886 12.890 -5.064) 14.147 12.051 ( 12.230 7.891 6.323) 15.869 15.670 ( -22.524 -15.510 8.446) 28.622 15.974 ( -3.433 -28.605 -14.529) 32.267 16.940 ( -24.219 9.079 -22.641) 34.375 17.232 ( 16.241 -8.014 19.725) 26.779 25.130 ( 4.563 -2.399 25.271) 25.792 25.180 ( -8.668 -1.614 -24.464) 26.004 ======================= Grid point 558 (144/146) ======================= q-point: ( 0.55 0.55 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.715 ( -0.000 -0.350 -0.758) 0.835 1.720 ( 0.000 0.118 0.510) 0.523 2.028 ( 0.000 -6.618 5.964) 8.909 2.201 ( -0.000 0.769 -2.112) 2.248 2.274 ( -0.000 -4.012 -3.451) 5.292 2.338 ( 0.000 -0.878 0.317) 0.934 3.373 ( -0.000 -43.137 -25.018) 49.867 3.791 ( 0.000 -23.743 27.362) 36.227 4.216 ( 0.000 -16.532 26.916) 31.588 5.028 ( -0.000 7.493 -1.626) 7.668 5.041 ( -0.000 8.441 -11.961) 14.640 5.234 ( 0.000 17.222 8.258) 19.100 5.245 ( 0.000 0.378 7.113) 7.123 6.019 ( -0.000 2.528 -8.694) 9.054 6.488 ( -0.000 32.101 -9.505) 33.479 6.839 ( 0.000 29.373 5.030) 29.800 7.777 ( -0.000 -0.683 -10.769) 10.791 7.949 ( 0.000 13.834 10.333) 17.267 9.497 ( 0.000 -30.932 35.472) 47.064 10.052 ( -0.000 -25.268 -25.804) 36.115 10.332 ( -0.000 -11.166 -29.737) 31.764 10.650 ( 0.000 1.334 25.593) 25.628 11.745 ( 0.000 12.279 5.529) 13.467 11.935 ( -0.000 17.126 -6.733) 18.402 16.031 ( -0.000 -30.804 -10.514) 32.549 16.300 ( 0.000 -16.959 14.052) 22.024 16.727 ( 0.000 -17.159 22.854) 28.579 17.383 ( -0.000 9.963 -17.165) 19.847 25.055 ( 0.000 -5.761 27.281) 27.883 25.333 ( -0.000 0.241 -28.215) 28.216 ======================= Grid point 668 (145/146) ======================= q-point: ( 0.45 0.45 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 146 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.719 ( -0.000 -0.000 -0.372) 0.372 1.724 ( -0.000 -0.000 -0.994) 0.994 2.148 ( 0.000 0.000 7.987) 7.987 2.148 ( 0.000 0.000 7.987) 7.987 2.275 ( -0.000 -0.000 -4.997) 4.997 2.275 ( -0.000 -0.000 -4.997) 4.997 4.320 ( 0.000 0.000 20.933) 20.933 4.320 ( 0.000 0.000 20.933) 20.933 4.653 ( -0.000 0.000 -11.181) 11.181 4.653 ( -0.000 0.000 -11.181) 11.181 4.846 ( 0.000 0.000 34.330) 34.330 5.423 ( 0.000 0.000 22.354) 22.354 5.423 ( 0.000 0.000 22.354) 22.354 5.458 ( -0.000 -0.000 -27.741) 27.741 5.845 ( -0.000 -0.000 -19.459) 19.459 5.845 ( -0.000 -0.000 -19.459) 19.459 7.630 ( 0.000 0.000 7.294) 7.294 7.812 ( -0.000 -0.000 -10.952) 10.952 10.255 ( 0.000 0.000 35.241) 35.241 10.255 ( 0.000 0.000 35.241) 35.241 10.889 ( -0.000 -0.000 -28.887) 28.887 10.889 ( -0.000 -0.000 -28.887) 28.887 11.283 ( 0.000 0.000 6.362) 6.362 11.367 ( -0.000 -0.000 -2.224) 2.224 16.754 ( 0.000 -0.000 16.588) 16.588 16.754 ( 0.000 0.000 16.588) 16.588 17.051 ( -0.000 0.000 -13.221) 13.221 17.051 ( -0.000 0.000 -13.221) 13.221 24.933 ( 0.000 0.000 33.151) 33.151 25.564 ( -0.000 -0.000 -30.367) 30.367 ======================= Grid point 669 (146/146) ======================= q-point: ( 0.55 0.45 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.717 ( -0.181 -0.104 -0.251) 0.326 1.719 ( 0.159 0.092 -0.248) 0.309 2.140 ( -2.845 -1.642 3.966) 5.149 2.192 ( -0.976 -0.564 -3.730) 3.897 2.260 ( 1.857 1.072 6.293) 6.648 2.309 ( 3.237 1.869 -4.659) 5.973 3.993 ( -31.188 -18.006 25.897) 44.357 4.320 ( -12.577 -7.262 -20.181) 24.864 4.618 ( -2.767 -1.597 -6.305) 7.068 4.756 ( 10.671 6.161 0.213) 12.324 4.874 ( -4.510 -2.604 19.364) 20.052 5.120 ( -0.645 -0.372 -16.085) 16.102 5.401 ( -9.337 -5.391 -2.446) 11.056 5.846 ( 21.937 12.665 9.552) 27.072 5.851 ( 8.798 5.080 11.350) 15.233 6.265 ( 29.441 16.998 -12.267) 36.141 7.704 ( 1.202 0.694 8.664) 8.775 7.800 ( 5.908 3.411 -9.783) 11.927 10.291 ( -19.493 -11.254 -8.526) 24.069 10.315 ( -17.055 -9.847 30.751) 36.517 10.336 ( -12.784 -7.381 10.290) 17.994 10.786 ( 2.854 1.648 -28.563) 28.752 11.529 ( 11.734 6.775 -5.353) 14.568 11.538 ( 15.739 9.087 6.799) 19.404 16.497 ( -21.548 -12.440 13.586) 28.348 16.695 ( -12.825 -7.404 -13.308) 19.910 17.044 ( 0.081 0.047 -5.542) 5.543 17.084 ( 6.547 3.780 6.022) 9.666 25.141 ( -0.417 -0.241 31.382) 31.385 25.333 ( -2.647 -1.528 -30.480) 30.633 =================== 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 3/39930 10.0 169.212 169.212 204.954 0.000 -0.000 -0.000 3/39930 20.0 68.079 68.079 75.185 0.000 -0.000 -0.000 3/39930 30.0 40.898 40.898 45.602 0.000 -0.000 -0.000 3/39930 40.0 28.666 28.666 31.993 0.000 -0.000 -0.000 3/39930 50.0 22.042 22.042 24.527 0.000 -0.000 -0.000 3/39930 60.0 17.963 17.963 19.915 0.000 -0.000 -0.000 3/39930 70.0 15.211 15.211 16.807 0.000 -0.000 -0.000 3/39930 80.0 13.230 13.230 14.574 0.000 -0.000 -0.000 3/39930 90.0 11.735 11.735 12.892 0.000 -0.000 -0.000 3/39930 100.0 10.565 10.565 11.578 0.000 -0.000 -0.000 3/39930 110.0 9.622 9.622 10.520 0.000 -0.000 -0.000 3/39930 120.0 8.846 8.846 9.649 0.000 -0.000 -0.000 3/39930 130.0 8.193 8.193 8.918 0.000 -0.000 -0.000 3/39930 140.0 7.636 7.636 8.295 0.000 -0.000 -0.000 3/39930 150.0 7.155 7.155 7.758 0.000 -0.000 -0.000 3/39930 160.0 6.734 6.734 7.288 0.000 -0.000 -0.000 3/39930 170.0 6.362 6.362 6.874 0.000 -0.000 -0.000 3/39930 180.0 6.031 6.031 6.506 0.000 -0.000 -0.000 3/39930 190.0 5.734 5.734 6.177 0.000 -0.000 -0.000 3/39930 200.0 5.466 5.466 5.880 0.000 -0.000 -0.000 3/39930 210.0 5.223 5.223 5.612 0.000 -0.000 -0.000 3/39930 220.0 5.001 5.001 5.367 0.000 -0.000 -0.000 3/39930 230.0 4.798 4.798 5.144 0.000 -0.000 -0.000 3/39930 240.0 4.611 4.611 4.938 0.000 -0.000 -0.000 3/39930 250.0 4.438 4.438 4.749 0.000 -0.000 -0.000 3/39930 260.0 4.278 4.278 4.574 0.000 -0.000 -0.000 3/39930 270.0 4.130 4.130 4.412 0.000 -0.000 -0.000 3/39930 280.0 3.991 3.991 4.261 0.000 -0.000 -0.000 3/39930 290.0 3.862 3.862 4.120 0.000 -0.000 -0.000 3/39930 300.0 3.740 3.740 3.988 0.000 -0.000 -0.000 3/39930 310.0 3.627 3.627 3.865 0.000 -0.000 -0.000 3/39930 320.0 3.519 3.519 3.749 0.000 -0.000 -0.000 3/39930 330.0 3.419 3.419 3.639 0.000 -0.000 -0.000 3/39930 340.0 3.323 3.323 3.536 0.000 -0.000 -0.000 3/39930 350.0 3.233 3.233 3.439 0.000 -0.000 -0.000 3/39930 360.0 3.148 3.148 3.347 0.000 -0.000 -0.000 3/39930 370.0 3.067 3.067 3.260 0.000 -0.000 -0.000 3/39930 380.0 2.990 2.990 3.177 0.000 -0.000 -0.000 3/39930 390.0 2.917 2.917 3.098 0.000 -0.000 -0.000 3/39930 400.0 2.847 2.847 3.024 0.000 -0.000 -0.000 3/39930 410.0 2.781 2.781 2.952 0.000 -0.000 -0.000 3/39930 420.0 2.718 2.718 2.884 0.000 -0.000 -0.000 3/39930 430.0 2.657 2.657 2.819 0.000 -0.000 -0.000 3/39930 440.0 2.599 2.599 2.757 0.000 -0.000 -0.000 3/39930 450.0 2.544 2.544 2.698 0.000 -0.000 -0.000 3/39930 460.0 2.490 2.490 2.641 0.000 -0.000 -0.000 3/39930 470.0 2.439 2.439 2.586 0.000 -0.000 -0.000 3/39930 480.0 2.390 2.390 2.534 0.000 -0.000 -0.000 3/39930 490.0 2.343 2.343 2.484 0.000 -0.000 -0.000 3/39930 500.0 2.298 2.298 2.435 0.000 -0.000 -0.000 3/39930 510.0 2.255 2.255 2.389 0.000 -0.000 -0.000 3/39930 520.0 2.213 2.213 2.344 0.000 -0.000 -0.000 3/39930 530.0 2.172 2.172 2.301 0.000 -0.000 -0.000 3/39930 540.0 2.133 2.133 2.259 0.000 -0.000 -0.000 3/39930 550.0 2.096 2.096 2.219 0.000 -0.000 -0.000 3/39930 560.0 2.059 2.059 2.181 0.000 -0.000 -0.000 3/39930 570.0 2.024 2.024 2.143 0.000 -0.000 -0.000 3/39930 580.0 1.990 1.990 2.107 0.000 -0.000 -0.000 3/39930 590.0 1.958 1.958 2.072 0.000 -0.000 -0.000 3/39930 600.0 1.926 1.926 2.038 0.000 -0.000 -0.000 3/39930 610.0 1.895 1.895 2.006 0.000 -0.000 -0.000 3/39930 620.0 1.865 1.865 1.974 0.000 -0.000 -0.000 3/39930 630.0 1.836 1.836 1.943 0.000 -0.000 -0.000 3/39930 640.0 1.808 1.808 1.913 0.000 -0.000 -0.000 3/39930 650.0 1.781 1.781 1.884 0.000 -0.000 -0.000 3/39930 660.0 1.755 1.755 1.856 0.000 -0.000 -0.000 3/39930 670.0 1.729 1.729 1.829 0.000 -0.000 -0.000 3/39930 680.0 1.704 1.704 1.803 0.000 -0.000 -0.000 3/39930 690.0 1.680 1.680 1.777 0.000 -0.000 -0.000 3/39930 700.0 1.657 1.657 1.752 0.000 -0.000 -0.000 3/39930 710.0 1.634 1.634 1.728 0.000 -0.000 -0.000 3/39930 720.0 1.612 1.612 1.704 0.000 -0.000 -0.000 3/39930 730.0 1.590 1.590 1.681 0.000 -0.000 -0.000 3/39930 740.0 1.569 1.569 1.659 0.000 -0.000 -0.000 3/39930 750.0 1.548 1.548 1.637 0.000 -0.000 -0.000 3/39930 760.0 1.528 1.528 1.616 0.000 -0.000 -0.000 3/39930 770.0 1.509 1.509 1.595 0.000 -0.000 -0.000 3/39930 780.0 1.490 1.490 1.575 0.000 -0.000 -0.000 3/39930 790.0 1.471 1.471 1.555 0.000 -0.000 -0.000 3/39930 800.0 1.453 1.453 1.536 0.000 -0.000 -0.000 3/39930 810.0 1.436 1.436 1.518 0.000 -0.000 -0.000 3/39930 820.0 1.418 1.418 1.499 0.000 -0.000 -0.000 3/39930 830.0 1.402 1.402 1.481 0.000 -0.000 -0.000 3/39930 840.0 1.385 1.385 1.464 0.000 -0.000 -0.000 3/39930 850.0 1.369 1.369 1.447 0.000 -0.000 -0.000 3/39930 860.0 1.353 1.353 1.430 0.000 -0.000 -0.000 3/39930 870.0 1.338 1.338 1.414 0.000 -0.000 -0.000 3/39930 880.0 1.323 1.323 1.398 0.000 -0.000 -0.000 3/39930 890.0 1.309 1.309 1.383 0.000 -0.000 -0.000 3/39930 900.0 1.294 1.294 1.368 0.000 -0.000 -0.000 3/39930 910.0 1.280 1.280 1.353 0.000 -0.000 -0.000 3/39930 920.0 1.266 1.266 1.338 0.000 -0.000 -0.000 3/39930 930.0 1.253 1.253 1.324 0.000 -0.000 -0.000 3/39930 940.0 1.240 1.240 1.310 0.000 -0.000 -0.000 3/39930 950.0 1.227 1.227 1.296 0.000 -0.000 -0.000 3/39930 960.0 1.214 1.214 1.283 0.000 -0.000 -0.000 3/39930 970.0 1.202 1.202 1.270 0.000 -0.000 -0.000 3/39930 980.0 1.190 1.190 1.257 0.000 -0.000 -0.000 3/39930 990.0 1.178 1.178 1.245 0.000 -0.000 -0.000 3/39930 1000.0 1.166 1.166 1.232 0.000 -0.000 -0.000 3/39930 Thermal conductivity related properties were written into "kappa-m111111.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:37:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|