----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 10:35:48]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 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 2.554460740515290 1.474818596170830 4.607003099999996 b -2.554460740515284 1.474818596170830 4.607003099999996 c 0.000000000000003 -2.949637192341665 4.607003099999996 Atomic positions (fractional): *1 Rh 0.65056012790465 0.65056012790465 0.65056012790465 102.906 2 Rh 0.84943987209535 0.84943987209535 0.84943987209535 102.906 3 Rh 0.34943987209535 0.34943987209535 0.34943987209535 102.906 4 Rh 0.15056012790465 0.15056012790465 0.15056012790465 102.906 *5 O 0.04964530247806 0.45035469752194 0.75000000000000 15.999 6 O 0.45035469752194 0.75000000000000 0.04964530247806 15.999 7 O 0.75000000000000 0.04964530247806 0.45035469752194 15.999 8 O 0.95035469752194 0.54964530247806 0.25000000000000 15.999 9 O 0.54964530247806 0.25000000000000 0.95035469752194 15.999 10 O 0.25000000000000 0.95035469752194 0.54964530247806 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.108921481030574 0.000000000000000 0.000000000000000 b -2.554460740515287 4.424455788512495 0.000000000000000 c 0.000000000000000 0.000000000000000 13.821009300000000 Atomic positions (fractional): *1 Rh 0.33333333333333 0.66666666666667 0.31722679457131 102.906 > 1 2 Rh 0.66666666666667 0.33333333333333 0.18277320542869 102.906 > 2 3 Rh 0.33333333333333 0.66666666666667 0.01610653876202 102.906 > 3 4 Rh 0.00000000000000 0.00000000000000 0.15056012790465 102.906 > 4 5 Rh 0.00000000000000 0.00000000000000 0.65056012790465 102.906 > 1 6 Rh 0.33333333333333 0.66666666666667 0.51610653876202 102.906 > 2 7 Rh 0.00000000000000 0.00000000000000 0.34943987209535 102.906 > 3 8 Rh 0.66666666666667 0.33333333333333 0.48389346123798 102.906 > 4 9 Rh 0.66666666666667 0.33333333333333 0.98389346123798 102.906 > 1 10 Rh 0.00000000000000 0.00000000000000 0.84943987209535 102.906 > 2 11 Rh 0.66666666666667 0.33333333333333 0.68277320542869 102.906 > 3 12 Rh 0.33333333333333 0.66666666666667 0.81722679457131 102.906 > 4 *13 O 0.96631196914473 0.33333333333333 0.08333333333333 15.999 > 5 14 O 0.36702136418861 0.03368803085527 0.08333333333333 15.999 > 6 15 O 0.66666666666667 0.63297863581139 0.08333333333333 15.999 > 7 16 O 0.70035469752194 0.00000000000000 0.25000000000000 15.999 > 8 17 O 0.29964530247806 0.29964530247806 0.25000000000000 15.999 > 9 18 O 0.00000000000000 0.70035469752194 0.25000000000000 15.999 > 10 19 O 0.63297863581139 0.66666666666667 0.41666666666667 15.999 > 5 20 O 0.03368803085527 0.36702136418861 0.41666666666667 15.999 > 6 21 O 0.33333333333333 0.96631196914473 0.41666666666667 15.999 > 7 22 O 0.36702136418861 0.33333333333333 0.58333333333333 15.999 > 8 23 O 0.96631196914473 0.63297863581139 0.58333333333333 15.999 > 9 24 O 0.66666666666667 0.03368803085527 0.58333333333333 15.999 > 10 25 O 0.29964530247806 0.00000000000000 0.75000000000000 15.999 > 5 26 O 0.70035469752194 0.70035469752194 0.75000000000000 15.999 > 6 27 O 0.00000000000000 0.29964530247806 0.75000000000000 15.999 > 7 28 O 0.03368803085527 0.66666666666667 0.91666666666667 15.999 > 8 29 O 0.63297863581139 0.96631196914473 0.91666666666667 15.999 > 9 30 O 0.33333333333333 0.36702136418861 0.91666666666667 15.999 > 10 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.217842962061148 0.000000000000000 0.000000000000000 b -5.108921481030574 8.848911577024991 0.000000000000000 c 0.000000000000000 0.000000000000000 13.821009300000000 Atomic positions (fractional): *1 Rh 0.16666666666667 0.33333333333333 0.31722679457131 102.906 > 1 2 Rh 0.66666666666667 0.33333333333333 0.31722679457131 102.906 > 1 3 Rh 0.16666666666667 0.83333333333333 0.31722679457131 102.906 > 1 4 Rh 0.66666666666667 0.83333333333333 0.31722679457131 102.906 > 1 5 Rh 0.33333333333333 0.16666666666667 0.18277320542869 102.906 > 2 6 Rh 0.83333333333333 0.16666666666667 0.18277320542869 102.906 > 2 7 Rh 0.33333333333333 0.66666666666667 0.18277320542869 102.906 > 2 8 Rh 0.83333333333333 0.66666666666667 0.18277320542869 102.906 > 2 9 Rh 0.16666666666667 0.33333333333333 0.01610653876202 102.906 > 3 10 Rh 0.66666666666667 0.33333333333333 0.01610653876202 102.906 > 3 11 Rh 0.16666666666667 0.83333333333333 0.01610653876202 102.906 > 3 12 Rh 0.66666666666667 0.83333333333333 0.01610653876202 102.906 > 3 13 Rh 0.00000000000000 0.00000000000000 0.15056012790465 102.906 > 4 14 Rh 0.50000000000000 0.00000000000000 0.15056012790465 102.906 > 4 15 Rh 0.00000000000000 0.50000000000000 0.15056012790465 102.906 > 4 16 Rh 0.50000000000000 0.50000000000000 0.15056012790465 102.906 > 4 17 Rh 0.00000000000000 0.00000000000000 0.65056012790465 102.906 > 1 18 Rh 0.50000000000000 0.00000000000000 0.65056012790465 102.906 > 1 19 Rh 0.00000000000000 0.50000000000000 0.65056012790465 102.906 > 1 20 Rh 0.50000000000000 0.50000000000000 0.65056012790465 102.906 > 1 21 Rh 0.16666666666667 0.33333333333333 0.51610653876202 102.906 > 2 22 Rh 0.66666666666667 0.33333333333333 0.51610653876202 102.906 > 2 23 Rh 0.16666666666667 0.83333333333333 0.51610653876202 102.906 > 2 24 Rh 0.66666666666667 0.83333333333333 0.51610653876202 102.906 > 2 25 Rh 0.00000000000000 0.00000000000000 0.34943987209535 102.906 > 3 26 Rh 0.50000000000000 0.00000000000000 0.34943987209535 102.906 > 3 27 Rh 0.00000000000000 0.50000000000000 0.34943987209535 102.906 > 3 28 Rh 0.50000000000000 0.50000000000000 0.34943987209535 102.906 > 3 29 Rh 0.33333333333333 0.16666666666667 0.48389346123798 102.906 > 4 30 Rh 0.83333333333333 0.16666666666667 0.48389346123798 102.906 > 4 31 Rh 0.33333333333333 0.66666666666667 0.48389346123798 102.906 > 4 32 Rh 0.83333333333333 0.66666666666667 0.48389346123798 102.906 > 4 33 Rh 0.33333333333333 0.16666666666667 0.98389346123798 102.906 > 1 34 Rh 0.83333333333333 0.16666666666667 0.98389346123798 102.906 > 1 35 Rh 0.33333333333333 0.66666666666667 0.98389346123798 102.906 > 1 36 Rh 0.83333333333333 0.66666666666667 0.98389346123798 102.906 > 1 37 Rh 0.00000000000000 0.00000000000000 0.84943987209535 102.906 > 2 38 Rh 0.50000000000000 0.00000000000000 0.84943987209535 102.906 > 2 39 Rh 0.00000000000000 0.50000000000000 0.84943987209535 102.906 > 2 40 Rh 0.50000000000000 0.50000000000000 0.84943987209535 102.906 > 2 41 Rh 0.33333333333333 0.16666666666667 0.68277320542869 102.906 > 3 42 Rh 0.83333333333333 0.16666666666667 0.68277320542869 102.906 > 3 43 Rh 0.33333333333333 0.66666666666667 0.68277320542869 102.906 > 3 44 Rh 0.83333333333333 0.66666666666667 0.68277320542869 102.906 > 3 45 Rh 0.16666666666667 0.33333333333333 0.81722679457131 102.906 > 4 46 Rh 0.66666666666667 0.33333333333333 0.81722679457131 102.906 > 4 47 Rh 0.16666666666667 0.83333333333333 0.81722679457131 102.906 > 4 48 Rh 0.66666666666667 0.83333333333333 0.81722679457131 102.906 > 4 *49 O 0.48315598457236 0.16666666666667 0.08333333333333 15.999 > 5 50 O 0.98315598457236 0.16666666666667 0.08333333333333 15.999 > 5 51 O 0.48315598457236 0.66666666666667 0.08333333333333 15.999 > 5 52 O 0.98315598457236 0.66666666666667 0.08333333333333 15.999 > 5 53 O 0.18351068209430 0.01684401542764 0.08333333333333 15.999 > 6 54 O 0.68351068209430 0.01684401542764 0.08333333333333 15.999 > 6 55 O 0.18351068209430 0.51684401542764 0.08333333333333 15.999 > 6 56 O 0.68351068209430 0.51684401542764 0.08333333333333 15.999 > 6 57 O 0.33333333333333 0.31648931790570 0.08333333333333 15.999 > 7 58 O 0.83333333333333 0.31648931790570 0.08333333333333 15.999 > 7 59 O 0.33333333333333 0.81648931790570 0.08333333333333 15.999 > 7 60 O 0.83333333333333 0.81648931790570 0.08333333333333 15.999 > 7 61 O 0.35017734876097 0.00000000000000 0.25000000000000 15.999 > 8 62 O 0.85017734876097 0.00000000000000 0.25000000000000 15.999 > 8 63 O 0.35017734876097 0.50000000000000 0.25000000000000 15.999 > 8 64 O 0.85017734876097 0.50000000000000 0.25000000000000 15.999 > 8 65 O 0.14982265123903 0.14982265123903 0.25000000000000 15.999 > 9 66 O 0.64982265123903 0.14982265123903 0.25000000000000 15.999 > 9 67 O 0.14982265123903 0.64982265123903 0.25000000000000 15.999 > 9 68 O 0.64982265123903 0.64982265123903 0.25000000000000 15.999 > 9 69 O 0.00000000000000 0.35017734876097 0.25000000000000 15.999 > 10 70 O 0.50000000000000 0.35017734876097 0.25000000000000 15.999 > 10 71 O 0.00000000000000 0.85017734876097 0.25000000000000 15.999 > 10 72 O 0.50000000000000 0.85017734876097 0.25000000000000 15.999 > 10 73 O 0.31648931790570 0.33333333333333 0.41666666666667 15.999 > 5 74 O 0.81648931790570 0.33333333333333 0.41666666666667 15.999 > 5 75 O 0.31648931790570 0.83333333333333 0.41666666666667 15.999 > 5 76 O 0.81648931790570 0.83333333333333 0.41666666666667 15.999 > 5 77 O 0.01684401542764 0.18351068209430 0.41666666666667 15.999 > 6 78 O 0.51684401542764 0.18351068209430 0.41666666666667 15.999 > 6 79 O 0.01684401542764 0.68351068209430 0.41666666666667 15.999 > 6 80 O 0.51684401542764 0.68351068209430 0.41666666666667 15.999 > 6 81 O 0.16666666666667 0.48315598457236 0.41666666666667 15.999 > 7 82 O 0.66666666666667 0.48315598457236 0.41666666666667 15.999 > 7 83 O 0.16666666666667 0.98315598457236 0.41666666666667 15.999 > 7 84 O 0.66666666666667 0.98315598457236 0.41666666666667 15.999 > 7 85 O 0.18351068209430 0.16666666666667 0.58333333333333 15.999 > 8 86 O 0.68351068209430 0.16666666666667 0.58333333333333 15.999 > 8 87 O 0.18351068209430 0.66666666666667 0.58333333333333 15.999 > 8 88 O 0.68351068209430 0.66666666666667 0.58333333333333 15.999 > 8 89 O 0.48315598457236 0.31648931790570 0.58333333333333 15.999 > 9 90 O 0.98315598457236 0.31648931790570 0.58333333333333 15.999 > 9 91 O 0.48315598457236 0.81648931790570 0.58333333333333 15.999 > 9 92 O 0.98315598457236 0.81648931790570 0.58333333333333 15.999 > 9 93 O 0.33333333333333 0.01684401542764 0.58333333333333 15.999 > 10 94 O 0.83333333333333 0.01684401542764 0.58333333333333 15.999 > 10 95 O 0.33333333333333 0.51684401542764 0.58333333333333 15.999 > 10 96 O 0.83333333333333 0.51684401542764 0.58333333333333 15.999 > 10 97 O 0.14982265123903 0.00000000000000 0.75000000000000 15.999 > 5 98 O 0.64982265123903 0.00000000000000 0.75000000000000 15.999 > 5 99 O 0.14982265123903 0.50000000000000 0.75000000000000 15.999 > 5 100 O 0.64982265123903 0.50000000000000 0.75000000000000 15.999 > 5 101 O 0.35017734876097 0.35017734876097 0.75000000000000 15.999 > 6 102 O 0.85017734876097 0.35017734876097 0.75000000000000 15.999 > 6 103 O 0.35017734876097 0.85017734876097 0.75000000000000 15.999 > 6 104 O 0.85017734876097 0.85017734876097 0.75000000000000 15.999 > 6 105 O 0.00000000000000 0.14982265123903 0.75000000000000 15.999 > 7 106 O 0.50000000000000 0.14982265123903 0.75000000000000 15.999 > 7 107 O 0.00000000000000 0.64982265123903 0.75000000000000 15.999 > 7 108 O 0.50000000000000 0.64982265123903 0.75000000000000 15.999 > 7 109 O 0.01684401542764 0.33333333333333 0.91666666666667 15.999 > 8 110 O 0.51684401542764 0.33333333333333 0.91666666666667 15.999 > 8 111 O 0.01684401542764 0.83333333333333 0.91666666666667 15.999 > 8 112 O 0.51684401542764 0.83333333333333 0.91666666666667 15.999 > 8 113 O 0.31648931790570 0.48315598457236 0.91666666666667 15.999 > 9 114 O 0.81648931790570 0.48315598457236 0.91666666666667 15.999 > 9 115 O 0.31648931790570 0.98315598457236 0.91666666666667 15.999 > 9 116 O 0.81648931790570 0.98315598457236 0.91666666666667 15.999 > 9 117 O 0.16666666666667 0.18351068209430 0.91666666666667 15.999 > 10 118 O 0.66666666666667 0.18351068209430 0.91666666666667 15.999 > 10 119 O 0.16666666666667 0.68351068209430 0.91666666666667 15.999 > 10 120 O 0.66666666666667 0.68351068209430 0.91666666666667 15.999 > 10 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 19.2841287 0.0000000 0.0000000 -0.0000000 19.2841287 0.0000000 0.0000000 0.0000000 21.6533827 -------------------------- Born effective charges -------------------------- 1 Rh 1.1664160 0.8678260 0.0000000 -0.8678259 1.1664160 0.0000000 -0.0000000 -0.0000000 1.5948240 2 Rh 1.1664160 -0.8678260 0.0000000 0.8678259 1.1664160 0.0000000 -0.0000000 -0.0000000 1.5948240 3 Rh 1.1664160 0.8678260 0.0000000 -0.8678259 1.1664160 0.0000000 -0.0000000 -0.0000000 1.5948240 4 Rh 1.1664160 -0.8678260 0.0000000 0.8678259 1.1664160 0.0000000 -0.0000000 -0.0000000 1.5948240 5 O -1.5257130 0.0000000 -0.0000000 0.0000000 -0.0295082 0.6855390 -0.0000000 0.9017121 -1.0632160 6 O -0.4035594 -0.6478757 0.5936942 -0.6478757 -1.1516618 -0.3427695 0.7809056 -0.4508560 -1.0632160 7 O -0.4035594 0.6478757 -0.5936942 0.6478757 -1.1516618 -0.3427695 -0.7809056 -0.4508560 -1.0632160 8 O -1.5257130 0.0000000 -0.0000000 0.0000000 -0.0295082 0.6855390 -0.0000000 0.9017121 -1.0632160 9 O -0.4035594 -0.6478757 0.5936942 -0.6478757 -1.1516618 -0.3427695 0.7809056 -0.4508560 -1.0632160 10 O -0.4035594 0.6478757 -0.5936942 0.6478757 -1.1516618 -0.3427695 -0.7809056 -0.4508560 -1.0632160 ---------------------------------------------------------------------------- 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: 7392/7392 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 501 Number of blocks in projector: 251 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: 236 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 192 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 73 Use standard eigh solver. Tree of FC basis block matrices: - (501, 493), data: False |-- (73, 71), data: True |-- (192, 190), data: True |-- (236, 232), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.012 Solver_block: 100 / 160 - Time: 0.449 Solver_block: 160 / 160 - Time: 0.307 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.774 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yx) 0.00000000 (yx) Permutation basis: 360/360 Permutation basis: 7392/7392 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 501 Number of blocks in projector: 251 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: 236 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 192 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 73 Use standard eigh solver. Tree of FC basis block matrices: - (501, 493), data: False |-- (73, 71), data: True |-- (192, 190), data: True |-- (236, 232), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yx) 0.00000000 (yx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 10:35:58]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 10:35:58]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 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 2.554460740515290 1.474818596170830 4.607003099999996 b -2.554460740515284 1.474818596170830 4.607003099999996 c 0.000000000000003 -2.949637192341665 4.607003099999996 Atomic positions (fractional): 1 Rh 0.65056012790465 0.65056012790465 0.65056012790465 102.906 2 Rh 0.84943987209535 0.84943987209535 0.84943987209535 102.906 3 Rh 0.34943987209535 0.34943987209535 0.34943987209535 102.906 4 Rh 0.15056012790465 0.15056012790465 0.15056012790465 102.906 5 O 0.04964530247806 0.45035469752194 0.75000000000000 15.999 6 O 0.45035469752194 0.75000000000000 0.04964530247806 15.999 7 O 0.75000000000000 0.04964530247806 0.45035469752194 15.999 8 O 0.95035469752194 0.54964530247806 0.25000000000000 15.999 9 O 0.54964530247806 0.25000000000000 0.95035469752194 15.999 10 O 0.25000000000000 0.95035469752194 0.54964530247806 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.217842962061148 0.000000000000000 0.000000000000000 b -5.108921481030574 8.848911577024991 0.000000000000000 c 0.000000000000000 0.000000000000000 13.821009300000000 Atomic positions (fractional): 1 Rh 0.16666666666667 0.33333333333333 0.31722679457131 102.906 > 1 2 Rh 0.66666666666667 0.33333333333333 0.31722679457131 102.906 > 1 3 Rh 0.16666666666667 0.83333333333333 0.31722679457131 102.906 > 1 4 Rh 0.66666666666667 0.83333333333333 0.31722679457131 102.906 > 1 5 Rh 0.33333333333333 0.16666666666667 0.18277320542869 102.906 > 5 6 Rh 0.83333333333333 0.16666666666667 0.18277320542869 102.906 > 5 7 Rh 0.33333333333333 0.66666666666667 0.18277320542869 102.906 > 5 8 Rh 0.83333333333333 0.66666666666667 0.18277320542869 102.906 > 5 9 Rh 0.16666666666667 0.33333333333333 0.01610653876202 102.906 > 9 10 Rh 0.66666666666667 0.33333333333333 0.01610653876202 102.906 > 9 11 Rh 0.16666666666667 0.83333333333333 0.01610653876202 102.906 > 9 12 Rh 0.66666666666667 0.83333333333333 0.01610653876202 102.906 > 9 13 Rh 0.00000000000000 0.00000000000000 0.15056012790465 102.906 > 13 14 Rh 0.50000000000000 0.00000000000000 0.15056012790465 102.906 > 13 15 Rh 0.00000000000000 0.50000000000000 0.15056012790465 102.906 > 13 16 Rh 0.50000000000000 0.50000000000000 0.15056012790465 102.906 > 13 17 Rh 0.00000000000000 0.00000000000000 0.65056012790465 102.906 > 1 18 Rh 0.50000000000000 0.00000000000000 0.65056012790465 102.906 > 1 19 Rh 0.00000000000000 0.50000000000000 0.65056012790465 102.906 > 1 20 Rh 0.50000000000000 0.50000000000000 0.65056012790465 102.906 > 1 21 Rh 0.16666666666667 0.33333333333333 0.51610653876202 102.906 > 5 22 Rh 0.66666666666667 0.33333333333333 0.51610653876202 102.906 > 5 23 Rh 0.16666666666667 0.83333333333333 0.51610653876202 102.906 > 5 24 Rh 0.66666666666667 0.83333333333333 0.51610653876202 102.906 > 5 25 Rh 0.00000000000000 0.00000000000000 0.34943987209535 102.906 > 9 26 Rh 0.50000000000000 0.00000000000000 0.34943987209535 102.906 > 9 27 Rh 0.00000000000000 0.50000000000000 0.34943987209535 102.906 > 9 28 Rh 0.50000000000000 0.50000000000000 0.34943987209535 102.906 > 9 29 Rh 0.33333333333333 0.16666666666667 0.48389346123798 102.906 > 13 30 Rh 0.83333333333333 0.16666666666667 0.48389346123798 102.906 > 13 31 Rh 0.33333333333333 0.66666666666667 0.48389346123798 102.906 > 13 32 Rh 0.83333333333333 0.66666666666667 0.48389346123798 102.906 > 13 33 Rh 0.33333333333333 0.16666666666667 0.98389346123798 102.906 > 1 34 Rh 0.83333333333333 0.16666666666667 0.98389346123798 102.906 > 1 35 Rh 0.33333333333333 0.66666666666667 0.98389346123798 102.906 > 1 36 Rh 0.83333333333333 0.66666666666667 0.98389346123798 102.906 > 1 37 Rh 0.00000000000000 0.00000000000000 0.84943987209535 102.906 > 5 38 Rh 0.50000000000000 0.00000000000000 0.84943987209535 102.906 > 5 39 Rh 0.00000000000000 0.50000000000000 0.84943987209535 102.906 > 5 40 Rh 0.50000000000000 0.50000000000000 0.84943987209535 102.906 > 5 41 Rh 0.33333333333333 0.16666666666667 0.68277320542869 102.906 > 9 42 Rh 0.83333333333333 0.16666666666667 0.68277320542869 102.906 > 9 43 Rh 0.33333333333333 0.66666666666667 0.68277320542869 102.906 > 9 44 Rh 0.83333333333333 0.66666666666667 0.68277320542869 102.906 > 9 45 Rh 0.16666666666667 0.33333333333333 0.81722679457131 102.906 > 13 46 Rh 0.66666666666667 0.33333333333333 0.81722679457131 102.906 > 13 47 Rh 0.16666666666667 0.83333333333333 0.81722679457131 102.906 > 13 48 Rh 0.66666666666667 0.83333333333333 0.81722679457131 102.906 > 13 49 O 0.48315598457236 0.16666666666667 0.08333333333333 15.999 > 49 50 O 0.98315598457236 0.16666666666667 0.08333333333333 15.999 > 49 51 O 0.48315598457236 0.66666666666667 0.08333333333333 15.999 > 49 52 O 0.98315598457236 0.66666666666667 0.08333333333333 15.999 > 49 53 O 0.18351068209430 0.01684401542764 0.08333333333333 15.999 > 53 54 O 0.68351068209430 0.01684401542764 0.08333333333333 15.999 > 53 55 O 0.18351068209430 0.51684401542764 0.08333333333333 15.999 > 53 56 O 0.68351068209430 0.51684401542764 0.08333333333333 15.999 > 53 57 O 0.33333333333333 0.31648931790570 0.08333333333333 15.999 > 57 58 O 0.83333333333333 0.31648931790570 0.08333333333333 15.999 > 57 59 O 0.33333333333333 0.81648931790570 0.08333333333333 15.999 > 57 60 O 0.83333333333333 0.81648931790570 0.08333333333333 15.999 > 57 61 O 0.35017734876097 0.00000000000000 0.25000000000000 15.999 > 61 62 O 0.85017734876097 0.00000000000000 0.25000000000000 15.999 > 61 63 O 0.35017734876097 0.50000000000000 0.25000000000000 15.999 > 61 64 O 0.85017734876097 0.50000000000000 0.25000000000000 15.999 > 61 65 O 0.14982265123903 0.14982265123903 0.25000000000000 15.999 > 65 66 O 0.64982265123903 0.14982265123903 0.25000000000000 15.999 > 65 67 O 0.14982265123903 0.64982265123903 0.25000000000000 15.999 > 65 68 O 0.64982265123903 0.64982265123903 0.25000000000000 15.999 > 65 69 O 0.00000000000000 0.35017734876097 0.25000000000000 15.999 > 69 70 O 0.50000000000000 0.35017734876097 0.25000000000000 15.999 > 69 71 O 0.00000000000000 0.85017734876097 0.25000000000000 15.999 > 69 72 O 0.50000000000000 0.85017734876097 0.25000000000000 15.999 > 69 73 O 0.31648931790570 0.33333333333333 0.41666666666667 15.999 > 49 74 O 0.81648931790570 0.33333333333333 0.41666666666667 15.999 > 49 75 O 0.31648931790570 0.83333333333333 0.41666666666667 15.999 > 49 76 O 0.81648931790570 0.83333333333333 0.41666666666667 15.999 > 49 77 O 0.01684401542764 0.18351068209430 0.41666666666667 15.999 > 53 78 O 0.51684401542764 0.18351068209430 0.41666666666667 15.999 > 53 79 O 0.01684401542764 0.68351068209430 0.41666666666667 15.999 > 53 80 O 0.51684401542764 0.68351068209430 0.41666666666667 15.999 > 53 81 O 0.16666666666667 0.48315598457236 0.41666666666667 15.999 > 57 82 O 0.66666666666667 0.48315598457236 0.41666666666667 15.999 > 57 83 O 0.16666666666667 0.98315598457236 0.41666666666667 15.999 > 57 84 O 0.66666666666667 0.98315598457236 0.41666666666667 15.999 > 57 85 O 0.18351068209430 0.16666666666667 0.58333333333333 15.999 > 61 86 O 0.68351068209430 0.16666666666667 0.58333333333333 15.999 > 61 87 O 0.18351068209430 0.66666666666667 0.58333333333333 15.999 > 61 88 O 0.68351068209430 0.66666666666667 0.58333333333333 15.999 > 61 89 O 0.48315598457236 0.31648931790570 0.58333333333333 15.999 > 65 90 O 0.98315598457236 0.31648931790570 0.58333333333333 15.999 > 65 91 O 0.48315598457236 0.81648931790570 0.58333333333333 15.999 > 65 92 O 0.98315598457236 0.81648931790570 0.58333333333333 15.999 > 65 93 O 0.33333333333333 0.01684401542764 0.58333333333333 15.999 > 69 94 O 0.83333333333333 0.01684401542764 0.58333333333333 15.999 > 69 95 O 0.33333333333333 0.51684401542764 0.58333333333333 15.999 > 69 96 O 0.83333333333333 0.51684401542764 0.58333333333333 15.999 > 69 97 O 0.14982265123903 0.00000000000000 0.75000000000000 15.999 > 49 98 O 0.64982265123903 0.00000000000000 0.75000000000000 15.999 > 49 99 O 0.14982265123903 0.50000000000000 0.75000000000000 15.999 > 49 100 O 0.64982265123903 0.50000000000000 0.75000000000000 15.999 > 49 101 O 0.35017734876097 0.35017734876097 0.75000000000000 15.999 > 53 102 O 0.85017734876097 0.35017734876097 0.75000000000000 15.999 > 53 103 O 0.35017734876097 0.85017734876097 0.75000000000000 15.999 > 53 104 O 0.85017734876097 0.85017734876097 0.75000000000000 15.999 > 53 105 O 0.00000000000000 0.14982265123903 0.75000000000000 15.999 > 57 106 O 0.50000000000000 0.14982265123903 0.75000000000000 15.999 > 57 107 O 0.00000000000000 0.64982265123903 0.75000000000000 15.999 > 57 108 O 0.50000000000000 0.64982265123903 0.75000000000000 15.999 > 57 109 O 0.01684401542764 0.33333333333333 0.91666666666667 15.999 > 61 110 O 0.51684401542764 0.33333333333333 0.91666666666667 15.999 > 61 111 O 0.01684401542764 0.83333333333333 0.91666666666667 15.999 > 61 112 O 0.51684401542764 0.83333333333333 0.91666666666667 15.999 > 61 113 O 0.31648931790570 0.48315598457236 0.91666666666667 15.999 > 65 114 O 0.81648931790570 0.48315598457236 0.91666666666667 15.999 > 65 115 O 0.31648931790570 0.98315598457236 0.91666666666667 15.999 > 65 116 O 0.81648931790570 0.98315598457236 0.91666666666667 15.999 > 65 117 O 0.16666666666667 0.18351068209430 0.91666666666667 15.999 > 69 118 O 0.66666666666667 0.18351068209430 0.91666666666667 15.999 > 69 119 O 0.16666666666667 0.68351068209430 0.91666666666667 15.999 > 69 120 O 0.66666666666667 0.68351068209430 0.91666666666667 15.999 > 69 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 19.2841287 0.0000000 0.0000000 -0.0000000 19.2841287 0.0000000 0.0000000 0.0000000 21.6533827 -------------------------- Born effective charges -------------------------- 1 Rh 1.1664160 0.8678260 0.0000000 -0.8678259 1.1664160 0.0000000 -0.0000000 -0.0000000 1.5948240 2 Rh 1.1664160 -0.8678260 0.0000000 0.8678259 1.1664160 0.0000000 -0.0000000 -0.0000000 1.5948240 3 Rh 1.1664160 0.8678260 0.0000000 -0.8678259 1.1664160 0.0000000 -0.0000000 -0.0000000 1.5948240 4 Rh 1.1664160 -0.8678260 0.0000000 0.8678259 1.1664160 0.0000000 -0.0000000 -0.0000000 1.5948240 5 O -1.5257130 0.0000000 -0.0000000 0.0000000 -0.0295082 0.6855390 -0.0000000 0.9017121 -1.0632160 6 O -0.4035594 -0.6478757 0.5936942 -0.6478757 -1.1516618 -0.3427695 0.7809056 -0.4508560 -1.0632160 7 O -0.4035594 0.6478757 -0.5936942 0.6478757 -1.1516618 -0.3427695 -0.7809056 -0.4508560 -1.0632160 8 O -1.5257130 0.0000000 -0.0000000 0.0000000 -0.0295082 0.6855390 -0.0000000 0.9017121 -1.0632160 9 O -0.4035594 -0.6478757 0.5936942 -0.6478757 -1.1516618 -0.3427695 0.7809056 -0.4508560 -1.0632160 10 O -0.4035594 0.6478757 -0.5936942 0.6478757 -1.1516618 -0.3427695 -0.7809056 -0.4508560 -1.0632160 ---------------------------------------------------------------------------- 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[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 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: -0.00000004 (xxx) -0.00000004 (xxx) -0.00000004 (xxx) 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 2026-01-08 10:36:05]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 10:36:06]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 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 2.554460740515290 1.474818596170830 4.607003099999996 b -2.554460740515284 1.474818596170830 4.607003099999996 c 0.000000000000003 -2.949637192341665 4.607003099999996 Atomic positions (fractional): 1 Rh 0.65056012790465 0.65056012790465 0.65056012790465 102.906 2 Rh 0.84943987209535 0.84943987209535 0.84943987209535 102.906 3 Rh 0.34943987209535 0.34943987209535 0.34943987209535 102.906 4 Rh 0.15056012790465 0.15056012790465 0.15056012790465 102.906 5 O 0.04964530247806 0.45035469752194 0.75000000000000 15.999 6 O 0.45035469752194 0.75000000000000 0.04964530247806 15.999 7 O 0.75000000000000 0.04964530247806 0.45035469752194 15.999 8 O 0.95035469752194 0.54964530247806 0.25000000000000 15.999 9 O 0.54964530247806 0.25000000000000 0.95035469752194 15.999 10 O 0.25000000000000 0.95035469752194 0.54964530247806 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.217842962061148 0.000000000000000 0.000000000000000 b -5.108921481030574 8.848911577024991 0.000000000000000 c 0.000000000000000 0.000000000000000 13.821009300000000 Atomic positions (fractional): 1 Rh 0.16666666666667 0.33333333333333 0.31722679457131 102.906 > 1 2 Rh 0.66666666666667 0.33333333333333 0.31722679457131 102.906 > 1 3 Rh 0.16666666666667 0.83333333333333 0.31722679457131 102.906 > 1 4 Rh 0.66666666666667 0.83333333333333 0.31722679457131 102.906 > 1 5 Rh 0.33333333333333 0.16666666666667 0.18277320542869 102.906 > 5 6 Rh 0.83333333333333 0.16666666666667 0.18277320542869 102.906 > 5 7 Rh 0.33333333333333 0.66666666666667 0.18277320542869 102.906 > 5 8 Rh 0.83333333333333 0.66666666666667 0.18277320542869 102.906 > 5 9 Rh 0.16666666666667 0.33333333333333 0.01610653876202 102.906 > 9 10 Rh 0.66666666666667 0.33333333333333 0.01610653876202 102.906 > 9 11 Rh 0.16666666666667 0.83333333333333 0.01610653876202 102.906 > 9 12 Rh 0.66666666666667 0.83333333333333 0.01610653876202 102.906 > 9 13 Rh 0.00000000000000 0.00000000000000 0.15056012790465 102.906 > 13 14 Rh 0.50000000000000 0.00000000000000 0.15056012790465 102.906 > 13 15 Rh 0.00000000000000 0.50000000000000 0.15056012790465 102.906 > 13 16 Rh 0.50000000000000 0.50000000000000 0.15056012790465 102.906 > 13 17 Rh 0.00000000000000 0.00000000000000 0.65056012790465 102.906 > 1 18 Rh 0.50000000000000 0.00000000000000 0.65056012790465 102.906 > 1 19 Rh 0.00000000000000 0.50000000000000 0.65056012790465 102.906 > 1 20 Rh 0.50000000000000 0.50000000000000 0.65056012790465 102.906 > 1 21 Rh 0.16666666666667 0.33333333333333 0.51610653876202 102.906 > 5 22 Rh 0.66666666666667 0.33333333333333 0.51610653876202 102.906 > 5 23 Rh 0.16666666666667 0.83333333333333 0.51610653876202 102.906 > 5 24 Rh 0.66666666666667 0.83333333333333 0.51610653876202 102.906 > 5 25 Rh 0.00000000000000 0.00000000000000 0.34943987209535 102.906 > 9 26 Rh 0.50000000000000 0.00000000000000 0.34943987209535 102.906 > 9 27 Rh 0.00000000000000 0.50000000000000 0.34943987209535 102.906 > 9 28 Rh 0.50000000000000 0.50000000000000 0.34943987209535 102.906 > 9 29 Rh 0.33333333333333 0.16666666666667 0.48389346123798 102.906 > 13 30 Rh 0.83333333333333 0.16666666666667 0.48389346123798 102.906 > 13 31 Rh 0.33333333333333 0.66666666666667 0.48389346123798 102.906 > 13 32 Rh 0.83333333333333 0.66666666666667 0.48389346123798 102.906 > 13 33 Rh 0.33333333333333 0.16666666666667 0.98389346123798 102.906 > 1 34 Rh 0.83333333333333 0.16666666666667 0.98389346123798 102.906 > 1 35 Rh 0.33333333333333 0.66666666666667 0.98389346123798 102.906 > 1 36 Rh 0.83333333333333 0.66666666666667 0.98389346123798 102.906 > 1 37 Rh 0.00000000000000 0.00000000000000 0.84943987209535 102.906 > 5 38 Rh 0.50000000000000 0.00000000000000 0.84943987209535 102.906 > 5 39 Rh 0.00000000000000 0.50000000000000 0.84943987209535 102.906 > 5 40 Rh 0.50000000000000 0.50000000000000 0.84943987209535 102.906 > 5 41 Rh 0.33333333333333 0.16666666666667 0.68277320542869 102.906 > 9 42 Rh 0.83333333333333 0.16666666666667 0.68277320542869 102.906 > 9 43 Rh 0.33333333333333 0.66666666666667 0.68277320542869 102.906 > 9 44 Rh 0.83333333333333 0.66666666666667 0.68277320542869 102.906 > 9 45 Rh 0.16666666666667 0.33333333333333 0.81722679457131 102.906 > 13 46 Rh 0.66666666666667 0.33333333333333 0.81722679457131 102.906 > 13 47 Rh 0.16666666666667 0.83333333333333 0.81722679457131 102.906 > 13 48 Rh 0.66666666666667 0.83333333333333 0.81722679457131 102.906 > 13 49 O 0.48315598457236 0.16666666666667 0.08333333333333 15.999 > 49 50 O 0.98315598457236 0.16666666666667 0.08333333333333 15.999 > 49 51 O 0.48315598457236 0.66666666666667 0.08333333333333 15.999 > 49 52 O 0.98315598457236 0.66666666666667 0.08333333333333 15.999 > 49 53 O 0.18351068209430 0.01684401542764 0.08333333333333 15.999 > 53 54 O 0.68351068209430 0.01684401542764 0.08333333333333 15.999 > 53 55 O 0.18351068209430 0.51684401542764 0.08333333333333 15.999 > 53 56 O 0.68351068209430 0.51684401542764 0.08333333333333 15.999 > 53 57 O 0.33333333333333 0.31648931790570 0.08333333333333 15.999 > 57 58 O 0.83333333333333 0.31648931790570 0.08333333333333 15.999 > 57 59 O 0.33333333333333 0.81648931790570 0.08333333333333 15.999 > 57 60 O 0.83333333333333 0.81648931790570 0.08333333333333 15.999 > 57 61 O 0.35017734876097 0.00000000000000 0.25000000000000 15.999 > 61 62 O 0.85017734876097 0.00000000000000 0.25000000000000 15.999 > 61 63 O 0.35017734876097 0.50000000000000 0.25000000000000 15.999 > 61 64 O 0.85017734876097 0.50000000000000 0.25000000000000 15.999 > 61 65 O 0.14982265123903 0.14982265123903 0.25000000000000 15.999 > 65 66 O 0.64982265123903 0.14982265123903 0.25000000000000 15.999 > 65 67 O 0.14982265123903 0.64982265123903 0.25000000000000 15.999 > 65 68 O 0.64982265123903 0.64982265123903 0.25000000000000 15.999 > 65 69 O 0.00000000000000 0.35017734876097 0.25000000000000 15.999 > 69 70 O 0.50000000000000 0.35017734876097 0.25000000000000 15.999 > 69 71 O 0.00000000000000 0.85017734876097 0.25000000000000 15.999 > 69 72 O 0.50000000000000 0.85017734876097 0.25000000000000 15.999 > 69 73 O 0.31648931790570 0.33333333333333 0.41666666666667 15.999 > 49 74 O 0.81648931790570 0.33333333333333 0.41666666666667 15.999 > 49 75 O 0.31648931790570 0.83333333333333 0.41666666666667 15.999 > 49 76 O 0.81648931790570 0.83333333333333 0.41666666666667 15.999 > 49 77 O 0.01684401542764 0.18351068209430 0.41666666666667 15.999 > 53 78 O 0.51684401542764 0.18351068209430 0.41666666666667 15.999 > 53 79 O 0.01684401542764 0.68351068209430 0.41666666666667 15.999 > 53 80 O 0.51684401542764 0.68351068209430 0.41666666666667 15.999 > 53 81 O 0.16666666666667 0.48315598457236 0.41666666666667 15.999 > 57 82 O 0.66666666666667 0.48315598457236 0.41666666666667 15.999 > 57 83 O 0.16666666666667 0.98315598457236 0.41666666666667 15.999 > 57 84 O 0.66666666666667 0.98315598457236 0.41666666666667 15.999 > 57 85 O 0.18351068209430 0.16666666666667 0.58333333333333 15.999 > 61 86 O 0.68351068209430 0.16666666666667 0.58333333333333 15.999 > 61 87 O 0.18351068209430 0.66666666666667 0.58333333333333 15.999 > 61 88 O 0.68351068209430 0.66666666666667 0.58333333333333 15.999 > 61 89 O 0.48315598457236 0.31648931790570 0.58333333333333 15.999 > 65 90 O 0.98315598457236 0.31648931790570 0.58333333333333 15.999 > 65 91 O 0.48315598457236 0.81648931790570 0.58333333333333 15.999 > 65 92 O 0.98315598457236 0.81648931790570 0.58333333333333 15.999 > 65 93 O 0.33333333333333 0.01684401542764 0.58333333333333 15.999 > 69 94 O 0.83333333333333 0.01684401542764 0.58333333333333 15.999 > 69 95 O 0.33333333333333 0.51684401542764 0.58333333333333 15.999 > 69 96 O 0.83333333333333 0.51684401542764 0.58333333333333 15.999 > 69 97 O 0.14982265123903 0.00000000000000 0.75000000000000 15.999 > 49 98 O 0.64982265123903 0.00000000000000 0.75000000000000 15.999 > 49 99 O 0.14982265123903 0.50000000000000 0.75000000000000 15.999 > 49 100 O 0.64982265123903 0.50000000000000 0.75000000000000 15.999 > 49 101 O 0.35017734876097 0.35017734876097 0.75000000000000 15.999 > 53 102 O 0.85017734876097 0.35017734876097 0.75000000000000 15.999 > 53 103 O 0.35017734876097 0.85017734876097 0.75000000000000 15.999 > 53 104 O 0.85017734876097 0.85017734876097 0.75000000000000 15.999 > 53 105 O 0.00000000000000 0.14982265123903 0.75000000000000 15.999 > 57 106 O 0.50000000000000 0.14982265123903 0.75000000000000 15.999 > 57 107 O 0.00000000000000 0.64982265123903 0.75000000000000 15.999 > 57 108 O 0.50000000000000 0.64982265123903 0.75000000000000 15.999 > 57 109 O 0.01684401542764 0.33333333333333 0.91666666666667 15.999 > 61 110 O 0.51684401542764 0.33333333333333 0.91666666666667 15.999 > 61 111 O 0.01684401542764 0.83333333333333 0.91666666666667 15.999 > 61 112 O 0.51684401542764 0.83333333333333 0.91666666666667 15.999 > 61 113 O 0.31648931790570 0.48315598457236 0.91666666666667 15.999 > 65 114 O 0.81648931790570 0.48315598457236 0.91666666666667 15.999 > 65 115 O 0.31648931790570 0.98315598457236 0.91666666666667 15.999 > 65 116 O 0.81648931790570 0.98315598457236 0.91666666666667 15.999 > 65 117 O 0.16666666666667 0.18351068209430 0.91666666666667 15.999 > 69 118 O 0.66666666666667 0.18351068209430 0.91666666666667 15.999 > 69 119 O 0.16666666666667 0.68351068209430 0.91666666666667 15.999 > 69 120 O 0.66666666666667 0.68351068209430 0.91666666666667 15.999 > 69 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 19.2841287 0.0000000 0.0000000 -0.0000000 19.2841287 0.0000000 0.0000000 0.0000000 21.6533827 -------------------------- Born effective charges -------------------------- 1 Rh 1.1664160 0.8678260 0.0000000 -0.8678259 1.1664160 0.0000000 -0.0000000 -0.0000000 1.5948240 2 Rh 1.1664160 -0.8678260 0.0000000 0.8678259 1.1664160 0.0000000 -0.0000000 -0.0000000 1.5948240 3 Rh 1.1664160 0.8678260 0.0000000 -0.8678259 1.1664160 0.0000000 -0.0000000 -0.0000000 1.5948240 4 Rh 1.1664160 -0.8678260 0.0000000 0.8678259 1.1664160 0.0000000 -0.0000000 -0.0000000 1.5948240 5 O -1.5257130 0.0000000 -0.0000000 0.0000000 -0.0295082 0.6855390 -0.0000000 0.9017121 -1.0632160 6 O -0.4035594 -0.6478757 0.5936942 -0.6478757 -1.1516618 -0.3427695 0.7809056 -0.4508560 -1.0632160 7 O -0.4035594 0.6478757 -0.5936942 0.6478757 -1.1516618 -0.3427695 -0.7809056 -0.4508560 -1.0632160 8 O -1.5257130 0.0000000 -0.0000000 0.0000000 -0.0295082 0.6855390 -0.0000000 0.9017121 -1.0632160 9 O -0.4035594 -0.6478757 0.5936942 -0.6478757 -1.1516618 -0.3427695 0.7809056 -0.4508560 -1.0632160 10 O -0.4035594 0.6478757 -0.5936942 0.6478757 -1.1516618 -0.3427695 -0.7809056 -0.4508560 -1.0632160 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000004 (xxx) -0.00000004 (xxx) -0.00000004 (xxx) Max drift of fc2: 0.00000000 (yx) 0.00000000 (yx) --------------------------- 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 ... [ 12 12 12 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.88, Number of G-points: 297, Lambda: 0.41 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/189) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 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 5.990 ( 0.000 0.000 0.000) 0.000 6.692 ( 0.000 0.000 0.000) 0.000 6.692 ( 0.000 0.000 0.000) 0.000 8.149 ( 0.000 0.000 0.000) 0.000 8.149 ( 0.000 0.000 0.000) 0.000 8.302 ( 0.000 0.000 0.000) 0.000 8.511 ( 0.000 0.000 0.000) 0.000 8.511 ( 0.000 0.000 0.000) 0.000 9.629 ( 0.000 0.000 0.000) 0.000 12.660 ( 0.000 0.000 0.000) 0.000 12.724 ( 0.000 0.000 0.000) 0.000 12.724 ( 0.000 0.000 0.000) 0.000 13.555 ( 0.000 0.000 0.000) 0.000 13.555 ( 0.000 0.000 0.000) 0.000 14.579 ( 0.000 0.000 0.000) 0.000 16.433 ( 0.000 0.000 0.000) 0.000 16.433 ( 0.000 0.000 0.000) 0.000 16.548 ( 0.000 0.000 0.000) 0.000 16.892 ( 0.000 0.000 0.000) 0.000 17.011 ( 0.000 0.000 0.000) 0.000 17.011 ( 0.000 0.000 0.000) 0.000 17.491 ( 0.000 0.000 0.000) 0.000 17.517 ( 0.000 0.000 0.000) 0.000 17.517 ( 0.000 0.000 0.000) 0.000 18.465 ( 0.000 0.000 0.000) 0.000 18.769 ( 0.000 0.000 0.000) 0.000 18.769 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/189) ======================= q-point: ( 0.08 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.721 ( 28.562 16.490 17.753) 37.455 0.781 ( 38.433 22.189 -9.529) 45.390 1.388 ( 55.006 31.758 29.394) 69.987 5.906 ( -7.423 -4.285 -0.572) 8.590 6.659 ( -4.700 -2.714 -0.156) 5.429 6.659 ( -0.871 -0.503 -6.078) 6.160 8.013 ( -11.767 -6.794 -3.168) 13.952 8.154 ( -0.936 -0.540 3.846) 3.995 8.284 ( -0.790 -0.456 -2.287) 2.463 8.485 ( 0.193 0.112 -6.863) 6.867 8.542 ( 0.638 0.368 6.547) 6.588 9.588 ( -2.937 -1.696 -2.939) 4.488 12.728 ( 1.669 0.964 0.791) 2.083 12.756 ( 1.863 1.076 4.363) 4.865 12.810 ( 10.743 6.203 2.491) 12.653 13.599 ( 4.085 2.358 -0.453) 4.738 13.756 ( 5.144 2.970 -2.301) 6.370 14.560 ( -1.828 -1.055 0.621) 2.200 16.320 ( -9.418 -5.437 4.555) 11.790 16.406 ( -2.456 -1.418 0.128) 2.839 16.641 ( 2.351 1.358 2.091) 3.427 16.923 ( 1.479 0.854 4.738) 5.036 17.023 ( 1.276 0.737 -0.996) 1.779 17.124 ( 1.418 0.819 -1.007) 1.922 17.488 ( 0.594 0.343 -3.650) 3.714 17.528 ( 1.296 0.748 -0.817) 1.704 17.539 ( 1.642 0.948 1.404) 2.359 18.430 ( -3.329 -1.922 0.914) 3.951 18.685 ( -7.595 -4.385 -0.174) 8.772 18.841 ( -2.729 -1.576 -6.430) 7.161 ======================= Grid point 2 (3/189) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.461 ( 29.552 17.062 18.208) 38.678 1.553 ( 37.223 21.491 -7.569) 43.643 2.732 ( 53.015 30.608 25.588) 66.349 5.674 ( -12.454 -7.190 -2.896) 14.669 6.503 ( -9.669 -5.583 -0.184) 11.167 6.599 ( -0.930 -0.537 -6.909) 6.992 7.632 ( -19.781 -11.421 -3.990) 23.188 8.141 ( -3.340 -1.928 6.916) 7.919 8.249 ( -0.431 -0.249 -4.361) 4.389 8.450 ( 1.753 1.012 -12.407) 12.571 8.586 ( -1.942 -1.121 9.455) 9.717 9.472 ( -5.280 -3.048 -5.434) 8.167 12.789 ( 3.718 2.146 1.816) 4.661 12.862 ( 4.477 2.585 8.317) 9.792 13.148 ( 17.569 10.143 2.862) 20.487 13.719 ( 7.023 4.055 -0.936) 8.163 13.889 ( 6.739 3.891 2.277) 8.108 14.512 ( -2.994 -1.728 1.343) 3.709 16.118 ( -10.746 -6.204 2.791) 12.719 16.329 ( -4.501 -2.598 -0.230) 5.202 16.686 ( 2.177 1.257 -3.545) 4.346 17.000 ( 2.383 1.376 5.165) 5.853 17.049 ( 1.779 1.027 -2.022) 2.882 17.154 ( 1.727 0.997 -1.044) 2.251 17.463 ( -0.089 -0.051 -7.394) 7.394 17.567 ( 2.873 1.659 -0.809) 3.414 17.604 ( 3.213 1.855 2.657) 4.563 18.340 ( -5.907 -3.410 2.611) 7.303 18.449 ( -13.406 -7.740 -0.171) 15.481 18.702 ( -6.137 -3.543 -6.584) 9.673 ======================= Grid point 3 (4/189) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.225 ( 30.368 17.533 18.371) 39.587 2.302 ( 34.813 20.100 -4.670) 40.470 3.982 ( 48.947 28.260 18.631) 59.511 5.353 ( -14.421 -8.326 -4.978) 17.380 6.232 ( -14.671 -8.470 -1.230) 16.985 6.534 ( -1.700 -0.981 -5.423) 5.767 7.173 ( -19.430 -11.218 -2.021) 22.527 8.088 ( -6.406 -3.698 9.950) 12.398 8.222 ( 0.888 0.513 -5.307) 5.405 8.405 ( 1.966 1.135 -15.866) 16.028 8.548 ( -6.718 -3.879 8.965) 11.855 9.293 ( -7.725 -4.460 -7.406) 11.594 12.920 ( 7.151 4.129 2.845) 8.734 13.052 ( 7.610 4.393 10.828) 13.945 13.563 ( 17.968 10.374 3.249) 21.001 13.877 ( 7.636 4.408 -1.418) 8.930 14.062 ( 7.282 4.204 3.474) 9.098 14.455 ( -3.067 -1.771 2.235) 4.188 15.904 ( -9.626 -5.558 1.590) 11.229 16.211 ( -5.872 -3.390 -1.009) 6.855 16.694 ( 0.880 0.508 -4.721) 4.829 17.071 ( 1.436 0.829 -2.404) 2.920 17.071 ( 1.723 0.995 2.419) 3.132 17.180 ( 1.131 0.653 -0.898) 1.585 17.385 ( -2.145 -1.239 -10.800) 11.080 17.648 ( 4.859 2.805 -0.018) 5.611 17.703 ( 3.834 2.214 3.072) 5.389 18.082 ( -17.878 -10.322 1.960) 20.737 18.258 ( -5.174 -2.987 3.200) 6.777 18.510 ( -7.516 -4.339 -6.430) 10.801 ======================= Grid point 4 (5/189) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.993 ( 30.059 17.354 17.349) 38.803 3.000 ( 30.728 17.741 -1.188) 35.502 5.001 ( -14.940 -8.625 -5.375) 18.069 5.003 ( 32.755 18.911 3.627) 37.996 5.919 ( -8.481 -4.897 1.793) 9.956 6.457 ( -2.752 -1.589 -3.958) 5.076 6.803 ( -14.159 -8.175 2.542) 16.546 7.964 ( -11.725 -6.770 11.459) 17.737 8.234 ( 3.065 1.769 -4.463) 5.696 8.348 ( 2.131 1.230 -17.266) 17.440 8.424 ( -8.531 -4.925 8.581) 13.064 9.043 ( -10.620 -6.132 -8.974) 15.196 13.129 ( 9.938 5.738 3.652) 12.043 13.309 ( 9.511 5.491 10.184) 14.977 13.930 ( 13.342 7.703 2.735) 15.647 14.007 ( 4.467 2.579 -1.297) 5.319 14.228 ( 5.585 3.225 3.067) 7.141 14.417 ( -1.537 -0.887 2.899) 3.399 15.750 ( -4.428 -2.557 0.911) 5.194 16.071 ( -5.985 -3.456 -1.422) 7.056 16.669 ( -0.213 -0.123 -5.257) 5.263 17.081 ( 0.619 0.358 -1.646) 1.795 17.096 ( 0.167 0.096 -0.847) 0.869 17.194 ( 0.652 0.377 -0.324) 0.820 17.237 ( -5.044 -2.912 -12.980) 14.227 17.652 ( -16.221 -9.365 3.357) 19.029 17.773 ( 6.226 3.594 0.440) 7.202 17.850 ( 2.181 1.259 3.151) 4.033 18.181 ( -4.079 -2.355 3.888) 6.107 18.316 ( -6.817 -3.936 -4.729) 9.183 ======================= Grid point 5 (6/189) ======================= q-point: ( 0.42 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.609 ( 24.465 14.125 2.693) 28.378 3.716 ( 26.753 15.446 13.066) 33.542 4.648 ( -14.749 -8.515 -2.159) 17.167 5.054 ( -15.866 -9.160 -13.158) 22.557 6.223 ( 20.977 12.111 -2.268) 24.328 6.377 ( -2.389 -1.379 -2.353) 3.626 6.659 ( 2.660 1.536 13.833) 14.170 7.678 ( -20.325 -11.734 7.052) 24.505 8.299 ( 2.928 1.690 -16.636) 16.976 8.311 ( 5.891 3.401 -1.512) 6.969 8.318 ( -6.348 -3.665 11.183) 13.371 8.743 ( -11.412 -6.588 -8.309) 15.578 13.376 ( 9.939 5.738 4.125) 12.196 13.543 ( 6.349 3.666 4.386) 8.543 14.056 ( 0.887 0.512 2.191) 2.419 14.147 ( 5.366 3.098 -1.688) 6.422 14.320 ( 1.647 0.951 3.232) 3.750 14.416 ( -0.477 -0.275 1.405) 1.509 15.747 ( 3.356 1.938 0.939) 3.988 15.949 ( -4.540 -2.621 -0.733) 5.294 16.642 ( 1.214 0.701 -3.955) 4.196 16.992 ( -10.620 -6.131 -9.964) 15.801 17.081 ( -0.304 -0.176 -0.062) 0.357 17.083 ( -0.096 -0.056 -2.116) 2.119 17.208 ( 0.925 0.534 -0.199) 1.086 17.365 ( -9.970 -5.756 3.395) 12.003 17.911 ( 6.154 3.553 -0.220) 7.109 17.948 ( 4.181 2.414 1.917) 5.194 18.116 ( -4.075 -2.353 2.972) 5.565 18.164 ( -5.229 -3.019 -2.443) 6.514 ======================= Grid point 6 (7/189) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.046 ( -8.836 -5.101 -5.224) 11.463 4.046 ( 8.836 5.101 5.224) 11.463 4.573 ( -13.765 -7.947 -15.526) 22.219 4.573 ( 13.765 7.947 15.526) 22.219 6.342 ( 0.564 0.325 -1.213) 1.376 6.342 ( -0.564 -0.325 1.213) 1.376 7.165 ( -26.763 -15.451 -4.480) 31.226 7.165 ( 26.763 15.451 4.480) 31.226 8.282 ( 4.317 2.492 -14.583) 15.411 8.282 ( -4.317 -2.492 14.583) 15.411 8.479 ( -9.039 -5.219 -3.719) 11.080 8.479 ( 9.039 5.219 3.719) 11.080 13.568 ( -4.409 -2.546 -2.937) 5.877 13.568 ( 4.409 2.546 2.937) 5.877 14.127 ( -2.824 -1.630 -6.155) 6.966 14.127 ( 2.824 1.630 6.155) 6.966 14.386 ( -2.256 -1.302 -2.097) 3.344 14.386 ( 2.256 1.302 2.097) 3.344 15.852 ( -4.640 -2.679 -0.437) 5.376 15.852 ( 4.640 2.679 0.437) 5.376 16.729 ( -8.192 -4.730 -1.899) 9.649 16.729 ( 8.192 4.730 1.899) 9.649 17.076 ( 0.523 0.302 -1.672) 1.778 17.076 ( -0.523 -0.302 1.672) 1.778 17.245 ( -3.133 -1.809 0.688) 3.682 17.245 ( 3.133 1.809 -0.688) 3.682 18.026 ( -3.930 -2.269 2.177) 5.034 18.026 ( 3.930 2.269 -2.177) 5.034 18.055 ( -3.149 -1.818 -0.802) 3.724 18.055 ( 3.149 1.818 0.802) 3.724 ======================= Grid point 14 (8/189) ======================= q-point: ( 0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.594 ( 0.000 35.740 -4.265) 35.993 0.843 ( -0.000 26.721 27.545) 38.376 1.677 ( -0.000 60.137 42.076) 73.395 5.914 ( 0.000 -7.535 0.268) 7.540 6.564 ( 0.000 -7.179 -9.867) 12.202 6.688 ( 0.000 0.934 -3.214) 3.347 8.077 ( -0.000 -11.080 3.688) 11.678 8.085 ( 0.000 -4.604 -3.706) 5.911 8.269 ( 0.000 -0.382 -3.863) 3.882 8.420 ( 0.000 -5.392 -6.664) 8.572 8.605 ( -0.000 5.703 6.142) 8.381 9.563 ( 0.000 -3.030 -5.605) 6.372 12.745 ( -0.000 0.221 3.140) 3.148 12.784 ( -0.000 3.403 6.777) 7.583 12.826 ( -0.000 11.355 3.669) 11.933 13.643 ( -0.000 5.938 4.262) 7.310 13.699 ( 0.000 6.503 -5.227) 8.343 14.564 ( -0.000 -2.334 0.983) 2.533 16.327 ( -0.000 -11.216 3.451) 11.735 16.421 ( -0.000 -2.216 1.854) 2.889 16.670 ( -0.000 0.092 0.758) 0.764 16.962 ( -0.000 0.404 8.154) 8.164 17.020 ( 0.000 2.036 -1.479) 2.516 17.116 ( 0.000 2.013 -0.804) 2.168 17.460 ( 0.000 1.323 -6.799) 6.926 17.516 ( 0.000 0.318 -0.793) 0.854 17.550 ( -0.000 2.339 1.619) 2.845 18.438 ( -0.000 -3.659 1.599) 3.993 18.648 ( 0.000 -9.788 -4.168) 10.639 18.822 ( 0.000 -0.371 -6.412) 6.422 ======================= Grid point 15 (9/189) ======================= q-point: ( 0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.159 ( 26.570 28.419 -0.639) 38.910 1.431 ( 19.064 26.592 20.079) 38.389 2.683 ( 24.232 51.573 37.232) 68.067 5.759 ( -8.707 -9.353 -1.047) 12.821 6.445 ( 1.890 -8.689 -9.107) 12.728 6.627 ( -4.618 -0.490 -5.123) 6.914 7.792 ( -15.562 -12.664 -2.448) 20.212 8.066 ( 2.866 -12.015 1.527) 12.446 8.256 ( 1.212 1.122 -4.797) 5.074 8.324 ( 1.579 -5.803 -9.930) 11.609 8.696 ( -1.728 5.650 7.526) 9.569 9.468 ( -2.803 -3.552 -7.521) 8.777 12.781 ( 1.577 1.101 4.198) 4.618 12.886 ( 2.680 3.545 9.252) 10.264 13.061 ( 9.511 14.958 3.714) 18.111 13.704 ( 1.012 7.181 0.506) 7.269 13.833 ( 6.726 5.454 1.911) 8.868 14.532 ( -1.317 -3.346 1.237) 3.803 16.196 ( -5.582 -10.451 3.532) 12.363 16.380 ( -3.687 -2.572 1.818) 4.849 16.671 ( -0.152 3.203 -3.375) 4.656 17.020 ( 0.709 1.074 6.122) 6.256 17.040 ( 0.587 3.096 -1.405) 3.451 17.146 ( 0.911 2.603 -0.034) 2.758 17.425 ( -0.348 1.785 -9.419) 9.593 17.531 ( 2.081 0.632 -0.743) 2.298 17.601 ( 1.673 2.903 2.346) 4.091 18.388 ( -2.660 -4.650 2.708) 6.003 18.473 ( -4.670 -14.216 -4.116) 15.520 18.728 ( -4.791 -2.513 -6.352) 8.344 ======================= Grid point 16 (10/189) ======================= q-point: ( 0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.892 ( 31.509 23.543 2.476) 39.411 2.145 ( 23.929 26.574 15.193) 38.853 3.792 ( 31.682 41.848 28.716) 59.830 5.468 ( -13.268 -9.640 -3.461) 16.761 6.314 ( -4.880 -9.242 -4.576) 11.409 6.496 ( -3.033 -2.806 -7.614) 8.663 7.360 ( -18.652 -13.001 -2.516) 22.874 7.993 ( 3.270 -14.989 1.812) 15.448 8.211 ( 3.999 -7.579 -14.861) 17.154 8.289 ( -0.615 3.460 -1.329) 3.757 8.714 ( -6.720 3.020 6.485) 9.815 9.318 ( -5.657 -3.488 -8.396) 10.708 12.877 ( 4.967 2.562 4.717) 7.313 13.053 ( 5.719 4.481 10.924) 13.119 13.419 ( 14.372 12.969 3.202) 19.621 13.822 ( 4.830 7.061 -0.730) 8.586 14.012 ( 6.786 5.223 3.516) 9.257 14.481 ( -1.640 -3.501 1.615) 4.190 16.010 ( -8.607 -7.774 3.256) 12.047 16.281 ( -6.198 -2.630 1.044) 6.814 16.675 ( -0.214 2.535 -4.402) 5.084 17.059 ( 0.552 2.535 -1.370) 2.933 17.082 ( 0.334 1.820 3.008) 3.532 17.185 ( 0.323 3.053 0.141) 3.073 17.361 ( -2.245 1.892 -10.845) 11.236 17.592 ( 4.445 1.500 0.036) 4.691 17.685 ( 3.161 2.922 2.777) 5.123 18.187 ( -9.982 -16.446 -1.811) 19.323 18.309 ( -3.560 -4.737 3.767) 7.022 18.560 ( -7.278 -2.945 -6.752) 10.355 ======================= Grid point 17 (11/189) ======================= q-point: ( 0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.637 ( 31.308 20.703 4.125) 37.760 2.879 ( 25.019 25.159 14.022) 38.151 4.782 ( 27.769 30.243 14.804) 43.645 5.129 ( -14.062 -8.379 -3.881) 16.823 6.045 ( -12.423 -7.583 -2.276) 14.731 6.406 ( 0.852 -4.527 -6.981) 8.364 6.964 ( -14.556 -10.097 0.143) 17.715 7.920 ( 4.090 -16.467 2.331) 17.127 8.109 ( 5.702 -11.431 -13.349) 18.477 8.301 ( -3.603 6.467 -0.974) 7.467 8.618 ( -10.082 0.665 4.190) 10.938 9.112 ( -9.405 -3.327 -8.704) 13.240 13.050 ( 8.647 4.100 4.810) 10.711 13.278 ( 8.017 4.840 10.192) 13.841 13.771 ( 14.223 6.999 2.022) 15.980 13.964 ( 5.160 5.910 -1.665) 8.021 14.183 ( 6.053 3.641 3.178) 7.745 14.445 ( -0.838 -1.776 2.247) 2.984 15.832 ( -7.591 -3.819 2.512) 8.861 16.150 ( -7.376 -2.360 0.659) 7.773 16.654 ( -1.072 1.198 -4.690) 4.957 17.073 ( -0.004 0.973 -2.060) 2.279 17.101 ( -1.068 1.113 0.159) 1.550 17.197 ( -1.730 1.831 -4.155) 4.859 17.271 ( -4.154 3.876 -5.705) 8.051 17.700 ( 5.829 1.912 0.725) 6.177 17.766 ( -1.831 -0.488 1.482) 2.406 17.861 ( -6.939 -11.619 2.406) 13.745 18.235 ( -3.386 -4.178 4.422) 6.962 18.374 ( -7.321 -2.321 -5.702) 9.566 ======================= Grid point 18 (12/189) ======================= q-point: ( 0.42 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.334 ( 27.808 17.853 5.113) 33.439 3.584 ( 23.166 22.048 13.077) 34.551 4.778 ( -13.445 -9.144 -3.530) 16.638 5.171 ( -10.815 1.176 -6.422) 12.633 6.035 ( 14.137 10.972 2.005) 18.007 6.340 ( 0.717 -3.524 -6.050) 7.038 6.742 ( -4.392 -3.436 6.852) 8.834 7.806 ( -2.494 -17.052 2.241) 17.378 8.053 ( 8.488 -12.558 -5.361) 16.078 8.231 ( -7.726 0.512 -4.867) 9.146 8.519 ( -4.840 3.653 3.523) 7.013 8.861 ( -11.815 -0.788 -7.635) 14.089 13.282 ( 10.716 4.594 4.541) 12.513 13.497 ( 6.914 3.228 5.552) 9.437 14.002 ( 7.836 0.822 0.749) 7.914 14.066 ( 4.325 1.967 -2.605) 5.418 14.302 ( 3.941 0.900 2.379) 4.691 14.446 ( -0.965 0.674 2.122) 2.426 15.755 ( -1.363 1.505 1.470) 2.507 16.018 ( -6.626 -1.547 1.043) 6.884 16.618 ( -0.434 0.465 -3.474) 3.532 17.000 ( -5.124 -4.961 -6.392) 9.577 17.084 ( -0.975 1.488 -2.824) 3.337 17.131 ( -3.392 3.073 -2.096) 5.034 17.259 ( -2.842 5.301 1.598) 6.223 17.505 ( -11.793 -8.460 2.964) 14.814 17.838 ( 6.352 2.638 0.492) 6.895 17.911 ( 4.370 1.964 2.440) 5.376 18.169 ( -3.484 -3.827 3.889) 6.474 18.218 ( -6.018 -1.719 -3.566) 7.203 ======================= Grid point 19 (13/189) ======================= q-point: ( 0.50 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.922 ( 20.563 13.484 7.206) 25.624 4.082 ( 3.000 7.287 1.629) 8.047 4.554 ( 1.179 -1.083 3.884) 4.201 4.751 ( -23.115 -5.185 -7.502) 24.849 6.270 ( 5.868 0.713 -5.678) 8.197 6.305 ( 2.312 -1.252 -4.642) 5.335 6.966 ( 18.016 11.942 6.537) 22.582 7.459 ( -24.450 -15.027 1.327) 28.729 8.004 ( 6.575 -10.474 -16.216) 20.393 8.174 ( 8.842 -12.554 10.812) 18.779 8.570 ( -0.358 9.486 3.134) 9.996 8.652 ( -10.840 4.145 -3.420) 12.099 13.507 ( 8.247 2.348 2.988) 9.081 13.578 ( -0.589 -1.271 -0.501) 1.488 14.074 ( 1.283 -3.321 -7.389) 8.202 14.105 ( 3.834 0.063 3.716) 5.340 14.366 ( 2.177 0.171 -0.092) 2.185 14.424 ( -3.185 0.163 1.377) 3.473 15.816 ( 3.584 3.472 0.205) 4.994 15.920 ( -5.464 -0.670 1.611) 5.736 16.652 ( 5.722 2.413 0.168) 6.212 16.800 ( -7.685 -5.143 -1.996) 9.460 17.073 ( 0.067 1.449 -2.011) 2.480 17.112 ( -2.148 2.278 0.972) 3.279 17.278 ( -2.468 5.172 1.907) 6.039 17.329 ( -6.673 -0.497 2.653) 7.198 17.956 ( 5.327 1.872 -1.090) 5.750 18.017 ( 4.144 2.940 1.897) 5.423 18.088 ( -4.407 -4.028 2.500) 6.473 18.097 ( -4.802 -1.927 -1.934) 5.524 ======================= Grid point 20 (14/189) ======================= q-point: (-0.42 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.789 ( -20.778 -14.388 -7.207) 26.281 4.042 ( -26.249 -3.891 -2.816) 26.685 4.500 ( 13.432 9.240 0.248) 16.306 4.972 ( 17.178 13.131 14.017) 25.768 6.306 ( 5.029 -2.092 -2.736) 6.095 6.362 ( 3.354 0.831 2.130) 4.060 6.792 ( -33.430 -12.611 -10.360) 37.201 7.396 ( 19.867 7.828 -6.094) 22.206 7.973 ( 13.118 -12.107 -10.588) 20.755 8.311 ( 7.963 -7.951 16.102) 19.644 8.513 ( -8.869 6.865 -2.564) 11.505 8.746 ( 5.153 10.578 6.278) 13.336 13.447 ( -7.684 -5.281 -3.321) 9.898 13.575 ( -3.470 -3.041 -1.840) 4.967 14.008 ( 1.962 -2.092 -5.771) 6.444 14.164 ( 0.455 -3.554 1.610) 3.929 14.337 ( -3.167 0.370 -2.615) 4.124 14.412 ( 0.027 0.305 -0.075) 0.315 15.811 ( -5.845 -0.687 -0.211) 5.889 15.919 ( 3.142 3.079 1.538) 4.660 16.687 ( -2.302 -1.655 4.394) 5.230 16.875 ( 14.186 4.273 4.959) 15.624 17.091 ( 1.378 2.070 -1.359) 2.833 17.117 ( -1.291 2.822 2.692) 4.108 17.262 ( -3.240 2.556 0.458) 4.152 17.326 ( -0.764 5.748 2.630) 6.367 17.968 ( -4.421 -4.308 -0.660) 6.208 17.978 ( -4.487 -3.337 -1.454) 5.777 18.052 ( 3.193 0.884 -1.431) 3.609 18.134 ( 4.571 4.287 2.029) 6.587 ======================= Grid point 21 (15/189) ======================= q-point: (-0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.173 ( -27.651 -18.360 -10.530) 34.821 3.460 ( -34.343 -4.884 -2.830) 34.803 4.862 ( 15.557 7.945 5.383) 18.278 5.324 ( -7.613 2.000 10.056) 12.771 5.955 ( -22.168 -6.329 -6.462) 23.942 6.382 ( 7.199 -2.238 -0.754) 7.576 6.641 ( 12.527 7.963 -3.445) 15.238 7.661 ( 16.625 -2.685 -10.892) 20.056 8.076 ( 14.912 -6.535 -3.745) 16.706 8.413 ( -3.571 0.271 8.416) 9.146 8.480 ( 0.514 5.260 3.246) 6.202 8.999 ( 9.022 7.900 7.261) 14.019 13.223 ( -10.315 -5.765 -2.073) 11.997 13.365 ( -10.499 -5.122 -8.765) 14.604 13.973 ( -3.686 -6.828 -2.342) 8.105 14.084 ( -3.875 -0.858 -0.462) 3.995 14.263 ( -4.228 -2.083 -1.865) 5.069 14.401 ( -0.853 0.736 -2.416) 2.666 15.741 ( -1.583 1.605 0.026) 2.255 16.027 ( 4.995 3.291 2.112) 6.343 16.707 ( 0.016 0.630 6.127) 6.159 17.080 ( 2.461 -1.360 2.236) 3.593 17.128 ( -1.604 3.342 2.473) 4.456 17.226 ( 0.533 2.616 4.353) 5.107 17.283 ( 6.617 6.247 6.619) 11.253 17.433 ( 10.226 6.229 -4.011) 12.627 17.830 ( -5.817 -5.020 -0.223) 7.687 17.861 ( -4.076 -3.606 -3.004) 6.216 18.104 ( 3.996 0.519 -3.176) 5.131 18.280 ( 6.094 5.131 3.113) 8.553 ======================= Grid point 22 (16/189) ======================= q-point: (-0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.456 ( -31.347 -16.548 -10.534) 36.979 2.810 ( -37.681 -6.048 -0.313) 38.165 4.571 ( -55.356 -15.393 -6.535) 57.826 5.210 ( 15.147 6.083 4.626) 16.966 6.070 ( 14.695 8.565 0.510) 17.017 6.483 ( 7.015 -2.030 1.772) 7.515 6.977 ( 18.031 10.127 1.800) 20.758 7.800 ( 14.913 -7.688 -8.933) 19.008 8.244 ( 9.950 -1.089 -0.443) 10.019 8.389 ( -2.525 0.871 3.539) 4.434 8.570 ( 0.369 4.583 3.450) 5.748 9.243 ( 8.424 4.645 5.507) 11.084 13.004 ( -9.239 -4.357 -0.336) 10.221 13.095 ( -9.799 -3.406 -9.457) 14.038 13.727 ( -13.930 -7.674 -2.875) 16.162 13.996 ( -7.998 -0.960 1.877) 8.271 14.128 ( -7.263 -3.020 -2.885) 8.379 14.402 ( 2.457 0.698 -2.211) 3.378 15.805 ( 6.181 3.150 -0.323) 6.945 16.158 ( 5.620 3.000 1.701) 6.593 16.744 ( -0.985 0.956 4.959) 5.145 17.074 ( -1.269 -1.640 -1.099) 2.347 17.132 ( -3.186 2.204 3.097) 4.960 17.222 ( -2.561 1.519 1.243) 3.227 17.445 ( 0.864 3.424 9.028) 9.694 17.692 ( -3.303 -3.334 -0.389) 4.709 17.718 ( -0.047 0.195 -3.336) 3.342 17.809 ( 17.596 1.883 -2.504) 17.873 18.164 ( 5.459 0.672 -3.158) 6.342 18.463 ( 7.687 4.773 3.842) 9.830 ======================= Grid point 23 (17/189) ======================= q-point: (-0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.736 ( -33.244 -11.916 -7.317) 36.065 2.120 ( -40.510 -5.118 1.016) 40.845 3.416 ( -63.252 -11.378 -8.392) 64.813 5.522 ( 14.500 3.731 2.427) 15.168 6.350 ( 12.258 3.214 -0.587) 12.686 6.589 ( 5.212 -0.108 2.746) 5.892 7.415 ( 21.389 8.792 3.515) 23.391 7.916 ( 12.964 -6.333 -5.504) 15.442 8.318 ( -1.852 2.776 0.850) 3.443 8.425 ( 5.433 -3.334 2.847) 6.982 8.602 ( -2.262 3.365 -0.477) 4.083 9.422 ( 6.711 1.997 2.845) 7.558 12.848 ( -6.360 -2.181 1.414) 6.871 12.888 ( -6.706 -1.182 -6.851) 9.659 13.376 ( -19.320 -4.829 -1.564) 19.976 13.846 ( -9.736 -0.980 1.677) 9.928 13.960 ( -7.616 -2.292 -2.389) 8.304 14.456 ( 4.055 0.572 -0.962) 4.206 15.968 ( 10.272 2.279 -0.877) 10.558 16.277 ( 5.109 1.821 0.670) 5.465 16.747 ( -2.550 0.508 3.116) 4.059 17.008 ( -3.068 -1.411 -2.534) 4.222 17.104 ( -3.615 0.725 1.844) 4.123 17.192 ( -2.660 0.187 0.619) 2.737 17.509 ( -0.451 1.184 4.273) 4.457 17.605 ( -3.309 -2.052 1.488) 4.168 17.631 ( -3.609 -0.942 -3.075) 4.834 18.182 ( 19.219 2.932 -1.089) 19.471 18.266 ( 8.558 0.807 -1.253) 8.687 18.651 ( 7.865 2.924 2.960) 8.898 ======================= Grid point 24 (18/189) ======================= q-point: (-0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.093 ( -34.148 -0.000 0.000) 34.148 1.417 ( -42.543 -0.000 0.000) 42.543 2.249 ( -67.749 -0.000 0.000) 67.749 5.768 ( 12.082 0.000 -0.000) 12.082 6.537 ( 9.570 0.000 -0.000) 9.570 6.665 ( 2.552 0.000 -0.000) 2.552 7.817 ( 19.135 0.000 -0.000) 19.135 8.044 ( 8.564 0.000 -0.000) 8.564 8.300 ( -1.490 -0.000 0.000) 1.490 8.486 ( 2.484 0.000 -0.000) 2.484 8.563 ( -3.538 -0.000 0.000) 3.538 9.537 ( 5.175 0.000 -0.000) 5.175 12.768 ( -3.593 -0.000 0.000) 3.593 12.774 ( -3.544 -0.000 0.000) 3.544 13.026 ( -18.848 -0.000 0.000) 18.848 13.698 ( -8.058 -0.000 0.000) 8.058 13.828 ( -5.963 -0.000 0.000) 5.963 14.519 ( 3.421 0.000 -0.000) 3.421 16.153 ( 11.043 0.000 -0.000) 11.043 16.363 ( 3.981 0.000 -0.000) 3.981 16.703 ( -4.230 -0.000 0.000) 4.230 16.941 ( -2.827 -0.000 0.000) 2.827 17.058 ( -2.818 -0.000 0.000) 2.818 17.153 ( -2.252 -0.000 0.000) 2.252 17.512 ( -0.989 -0.000 0.000) 0.989 17.558 ( -2.413 -0.000 0.000) 2.413 17.564 ( -2.651 -0.000 0.000) 2.651 18.357 ( 6.213 0.000 -0.000) 6.213 18.511 ( 15.188 0.000 -0.000) 15.188 18.794 ( 6.312 0.000 -0.000) 6.312 ======================= Grid point 27 (19/189) ======================= q-point: ( 0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.259 ( -0.000 36.776 1.440) 36.804 1.667 ( -0.000 26.261 26.197) 37.093 3.240 ( -0.000 54.914 35.684) 65.490 5.747 ( -0.000 -10.335 1.270) 10.413 6.265 ( 0.000 -9.089 -12.220) 15.230 6.615 ( 0.000 -2.628 -7.509) 7.956 7.827 ( -0.000 -20.375 5.205) 21.030 7.874 ( 0.000 -10.956 -7.617) 13.343 8.151 ( 0.000 -10.368 -13.061) 16.676 8.224 ( 0.000 1.342 -3.808) 4.038 8.821 ( -0.000 7.160 7.109) 10.090 9.408 ( 0.000 -3.305 -8.682) 9.290 12.802 ( -0.000 0.206 5.287) 5.291 12.954 ( -0.000 3.875 9.163) 9.949 13.164 ( -0.000 17.147 4.422) 17.709 13.777 ( 0.000 6.174 -2.109) 6.524 13.844 ( -0.000 8.113 5.561) 9.836 14.509 ( -0.000 -4.834 0.900) 4.918 16.164 ( -0.000 -9.921 4.365) 10.839 16.403 ( -0.000 -2.950 3.680) 4.716 16.687 ( 0.000 4.223 -4.680) 6.303 17.059 ( 0.000 4.912 -2.885) 5.697 17.072 ( -0.000 1.398 7.515) 7.644 17.173 ( -0.000 3.772 1.254) 3.975 17.388 ( 0.000 2.593 -10.822) 11.128 17.512 ( 0.000 0.431 -0.636) 0.769 17.634 ( -0.000 3.698 2.522) 4.476 18.327 ( 0.000 -15.136 -6.071) 16.309 18.383 ( -0.000 -6.369 3.254) 7.152 18.700 ( 0.000 -4.498 -5.846) 7.376 ======================= Grid point 28 (20/189) ======================= q-point: ( 0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.773 ( 17.366 33.833 3.833) 38.223 2.188 ( 13.927 25.866 22.808) 37.192 4.046 ( 12.902 48.181 29.411) 57.904 5.560 ( -10.504 -10.237 -0.408) 14.673 6.164 ( 5.071 -8.674 -8.958) 13.461 6.486 ( -4.572 -5.380 -9.591) 11.909 7.481 ( -14.597 -17.200 -2.683) 22.718 7.780 ( 4.374 -18.515 -0.659) 19.036 7.973 ( 2.120 -11.957 -15.995) 20.082 8.265 ( 3.884 2.497 -2.116) 5.079 8.887 ( -4.650 5.146 6.004) 9.173 9.308 ( -2.667 -2.264 -8.584) 9.269 12.860 ( 2.858 0.644 5.571) 6.294 13.074 ( 3.807 3.735 8.744) 10.242 13.402 ( 6.350 14.676 4.328) 16.566 13.833 ( 1.619 6.785 -1.556) 7.147 13.993 ( 4.555 6.535 4.166) 8.989 14.461 ( -0.225 -5.260 0.791) 5.324 16.071 ( -4.703 -7.662 5.322) 10.447 16.364 ( -4.401 -2.155 3.605) 6.083 16.691 ( -0.992 4.392 -5.059) 6.772 17.085 ( -0.623 5.209 -3.013) 6.050 17.130 ( -0.489 2.056 5.761) 6.136 17.221 ( -0.133 4.414 0.689) 4.470 17.346 ( -0.217 2.785 -9.874) 10.262 17.539 ( 2.969 0.831 0.125) 3.086 17.698 ( 1.248 4.150 2.853) 5.189 18.111 ( -3.657 -16.450 -4.852) 17.536 18.331 ( -1.978 -5.819 4.247) 7.471 18.582 ( -4.113 -4.797 -5.990) 8.707 ======================= Grid point 29 (21/189) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.445 ( 23.829 29.356 5.224) 38.169 2.840 ( 20.169 25.164 18.835) 37.346 4.849 ( 15.600 36.478 18.220) 43.657 5.256 ( -13.219 -8.436 -1.630) 15.766 6.090 ( -2.495 -7.924 -4.830) 9.609 6.293 ( -1.501 -6.668 -9.975) 12.092 7.071 ( -13.385 -14.556 -3.203) 20.032 7.668 ( 5.047 -19.424 -3.293) 20.338 7.814 ( 5.359 -14.938 -11.983) 19.886 8.349 ( 2.977 4.312 -0.516) 5.265 8.825 ( -10.590 1.818 3.917) 11.437 9.171 ( -6.285 -1.257 -7.653) 9.982 12.981 ( 6.764 1.742 5.203) 8.709 13.249 ( 7.120 3.185 7.883) 11.090 13.666 ( 8.943 8.854 3.142) 12.971 13.930 ( 3.924 5.560 -2.725) 7.330 14.144 ( 4.927 3.665 2.670) 6.696 14.430 ( 1.100 -3.055 1.399) 3.535 15.942 ( -7.466 -4.306 5.067) 9.998 16.271 ( -7.522 -0.745 3.003) 8.134 16.670 ( -2.085 2.774 -4.944) 6.041 17.089 ( -1.710 2.604 -3.033) 4.348 17.144 ( -2.382 2.021 -0.567) 3.175 17.231 ( -1.942 3.401 -3.462) 5.227 17.342 ( -0.801 5.289 -0.759) 5.403 17.626 ( 5.598 1.537 0.922) 5.878 17.784 ( 2.240 4.153 3.122) 5.658 17.856 ( -6.977 -14.088 -1.156) 15.763 18.267 ( -2.546 -5.426 4.685) 7.608 18.424 ( -5.765 -3.464 -5.526) 8.705 ======================= Grid point 30 (22/189) ======================= q-point: ( 0.42 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.134 ( 24.646 24.521 6.182) 35.312 3.521 ( 21.441 23.731 15.837) 35.688 4.891 ( -14.209 -9.133 -3.070) 17.168 5.351 ( -4.973 12.435 1.047) 13.433 5.971 ( 3.520 3.165 -1.458) 4.954 6.224 ( 3.631 -4.221 -7.647) 9.459 6.787 ( -4.800 -8.392 0.088) 9.668 7.529 ( 6.652 -19.027 -12.611) 23.776 7.763 ( 9.859 -16.180 3.289) 19.230 8.405 ( -5.145 4.768 0.644) 7.044 8.641 ( -10.735 -1.695 1.282) 10.943 8.995 ( -9.200 0.978 -6.307) 11.197 13.171 ( 10.119 2.449 4.288) 11.259 13.439 ( 7.469 1.964 5.241) 9.334 13.878 ( 8.252 2.807 0.687) 8.743 14.006 ( 3.166 1.442 -3.146) 4.691 14.247 ( 4.429 0.238 1.099) 4.569 14.461 ( 1.801 0.593 2.050) 2.792 15.833 ( -5.554 0.035 3.067) 6.344 16.150 ( -8.702 0.230 2.596) 9.084 16.623 ( -2.004 0.608 -3.561) 4.131 17.016 ( -4.777 -3.163 -3.047) 6.489 17.106 ( -2.153 3.450 -5.653) 6.964 17.211 ( -3.149 3.460 0.303) 4.688 17.383 ( -2.552 7.099 2.373) 7.908 17.610 ( -8.405 -7.388 1.665) 11.313 17.762 ( 6.087 2.103 0.853) 6.496 17.886 ( 3.268 3.324 3.319) 5.722 18.203 ( -2.719 -5.109 4.318) 7.221 18.274 ( -5.658 -2.057 -4.096) 7.282 ======================= Grid point 31 (23/189) ======================= q-point: ( 0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.762 ( 21.893 18.640 6.855) 29.560 4.117 ( 11.687 17.905 9.704) 23.481 4.570 ( -8.343 -7.926 -1.356) 11.588 5.079 ( -23.550 -1.459 -2.957) 23.780 6.121 ( 7.698 0.217 -6.604) 10.145 6.205 ( 3.103 -1.651 -7.920) 8.665 6.836 ( 11.609 4.476 1.128) 12.493 7.401 ( 8.019 -18.511 -10.787) 22.876 7.847 ( 7.367 -11.032 9.843) 16.519 8.125 ( -19.464 -7.222 -0.095) 20.761 8.630 ( 2.656 5.301 0.893) 5.996 8.834 ( -9.332 3.734 -3.566) 10.665 13.385 ( 10.359 1.273 2.285) 10.684 13.560 ( 2.850 -0.048 2.046) 3.509 13.955 ( 3.251 -3.380 -6.759) 8.227 14.060 ( 3.773 0.103 2.083) 4.311 14.314 ( 3.666 -0.284 -1.000) 3.810 14.483 ( -1.672 0.259 2.155) 2.740 15.814 ( -0.024 2.904 0.347) 2.925 16.039 ( -7.151 0.978 2.985) 7.810 16.599 ( 1.485 0.013 -1.508) 2.117 16.866 ( -6.759 -4.465 0.032) 8.101 17.077 ( -0.956 2.157 -4.423) 5.013 17.201 ( -3.311 4.225 2.456) 5.903 17.405 ( -4.637 6.039 0.950) 7.673 17.469 ( -6.338 1.508 4.504) 7.920 17.881 ( 5.258 2.092 -0.832) 5.720 17.992 ( 3.880 3.018 2.867) 5.690 18.125 ( -3.703 -5.203 2.122) 6.729 18.151 ( -5.089 -1.858 -1.572) 5.641 ======================= Grid point 32 (24/189) ======================= q-point: (-0.42 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.970 ( -20.753 -10.009 -6.181) 23.855 4.256 ( 12.218 10.415 8.154) 18.006 4.550 ( -18.862 4.025 -5.436) 20.038 4.917 ( 12.989 11.621 13.179) 21.850 6.150 ( 5.928 -4.615 -7.368) 10.522 6.262 ( 8.343 2.415 -3.272) 9.281 7.099 ( 15.011 -0.418 -7.863) 16.951 7.196 ( -20.906 -10.319 -1.330) 23.352 7.616 ( 0.420 -9.990 -11.030) 14.888 8.153 ( 13.390 -7.098 16.014) 22.048 8.690 ( -6.859 5.176 -2.494) 8.948 8.785 ( 3.309 6.421 2.940) 7.799 13.468 ( -1.161 -3.299 -2.886) 4.535 13.584 ( -0.777 -1.549 2.555) 3.088 13.901 ( 2.355 -3.118 -8.162) 9.049 14.114 ( 2.157 -3.005 1.141) 3.871 14.350 ( 1.609 1.447 -2.402) 3.232 14.444 ( -3.717 -0.842 1.823) 4.225 15.860 ( 1.285 2.436 -0.146) 2.758 15.971 ( -5.405 1.979 2.738) 6.374 16.666 ( 7.571 -1.467 -0.963) 7.772 16.778 ( -0.606 -0.256 5.710) 5.748 17.064 ( 0.802 0.736 -3.674) 3.832 17.220 ( -2.832 5.957 4.857) 8.191 17.367 ( -5.042 4.760 0.229) 6.938 17.465 ( -4.220 6.165 4.862) 8.914 17.938 ( 1.573 -1.523 -3.477) 4.109 18.011 ( -4.619 -4.669 -0.789) 6.615 18.053 ( -2.856 -1.399 1.222) 3.407 18.112 ( 4.201 3.477 2.215) 5.885 ======================= Grid point 33 (25/189) ======================= q-point: (-0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.426 ( -27.058 -11.558 -7.211) 30.294 3.980 ( -33.439 -0.859 -0.540) 33.455 4.707 ( 15.367 7.157 3.776) 17.367 5.372 ( 14.101 12.296 11.086) 21.747 6.189 ( 9.259 -5.093 -5.294) 11.819 6.405 ( -21.791 -5.372 6.092) 23.255 6.530 ( -9.832 3.331 -10.617) 14.849 7.274 ( 16.115 -7.897 -10.196) 20.640 7.715 ( 18.748 -4.460 -4.567) 19.804 8.395 ( 9.983 -2.236 11.491) 15.385 8.598 ( -7.168 4.113 -1.441) 8.389 8.965 ( 7.742 5.831 3.757) 10.395 13.326 ( -8.649 -3.899 -1.110) 9.553 13.447 ( -9.994 -3.985 -5.250) 11.971 13.917 ( 3.273 -2.524 -2.573) 4.869 14.084 ( -0.396 -3.007 -1.150) 3.244 14.331 ( -5.406 0.451 -0.745) 5.476 14.407 ( 0.020 -0.098 -0.573) 0.582 15.831 ( -6.637 1.778 0.843) 6.922 15.989 ( 3.906 2.090 1.274) 4.609 16.743 ( 1.410 -0.081 6.286) 6.442 16.963 ( 16.104 1.011 2.080) 16.269 17.077 ( 3.972 0.283 -4.324) 5.879 17.270 ( -2.652 6.329 6.237) 9.273 17.337 ( -4.374 4.230 0.384) 6.097 17.489 ( -2.641 5.418 3.727) 7.086 17.852 ( -3.754 -5.294 -2.657) 7.013 17.883 ( -4.784 -4.300 -1.707) 6.655 18.045 ( 1.323 0.240 -1.129) 1.756 18.243 ( 5.717 3.799 1.951) 7.136 ======================= Grid point 34 (26/189) ======================= q-point: (-0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.813 ( -31.618 -7.688 -4.939) 32.912 3.386 ( -37.015 -1.414 -0.414) 37.045 5.027 ( 15.336 3.246 2.695) 15.906 5.330 ( -46.333 -4.361 1.404) 46.559 5.956 ( 5.100 6.009 -0.182) 7.884 6.296 ( 11.635 -4.008 -1.498) 12.396 6.794 ( 16.050 7.207 1.314) 17.643 7.410 ( 16.789 -7.866 -6.589) 19.677 7.980 ( 17.775 -1.325 -1.300) 17.871 8.504 ( -5.483 1.344 2.688) 6.253 8.571 ( 4.610 1.157 1.724) 5.056 9.166 ( 8.710 2.965 2.670) 9.580 13.135 ( -10.302 -2.673 1.424) 10.738 13.197 ( -11.604 -1.895 -6.235) 13.309 13.833 ( -7.355 -3.628 -1.493) 8.336 14.080 ( -0.328 -0.113 0.277) 0.444 14.212 ( -7.466 -1.089 -0.807) 7.588 14.388 ( -1.476 0.241 -1.117) 1.867 15.778 ( -0.793 1.322 0.196) 1.554 16.098 ( 5.597 1.554 1.076) 5.908 16.790 ( -0.115 0.882 3.761) 3.865 17.064 ( 0.445 -1.043 -0.328) 1.180 17.231 ( -0.184 3.027 2.097) 3.687 17.300 ( -4.145 1.807 0.778) 4.588 17.415 ( 19.445 1.794 1.950) 19.624 17.526 ( -0.069 3.855 0.965) 3.975 17.731 ( -3.982 -3.808 0.014) 5.509 17.762 ( -4.251 -2.508 -2.621) 5.589 18.074 ( 3.548 -0.063 -1.699) 3.935 18.391 ( 7.326 2.577 1.500) 7.910 ======================= Grid point 35 (27/189) ======================= q-point: (-0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.218 ( -34.167 -0.000 0.000) 34.167 2.754 ( -39.216 -0.000 0.000) 39.216 4.374 ( -61.491 -0.000 0.000) 61.491 5.302 ( 15.399 0.000 -0.000) 15.399 6.168 ( 12.157 0.000 -0.000) 12.157 6.463 ( 10.373 0.000 -0.000) 10.373 7.133 ( 19.706 0.000 -0.000) 19.706 7.618 ( 16.093 0.000 -0.000) 16.093 8.225 ( 12.775 0.000 -0.000) 12.775 8.429 ( -4.584 -0.000 0.000) 4.584 8.633 ( 0.864 0.000 -0.000) 0.864 9.323 ( 7.769 0.000 -0.000) 7.769 12.972 ( -8.856 -0.000 0.000) 8.856 12.988 ( -9.706 -0.000 0.000) 9.706 13.630 ( -14.465 -0.000 0.000) 14.465 14.008 ( -8.526 -0.000 0.000) 8.526 14.071 ( -8.261 -0.000 0.000) 8.261 14.394 ( 2.811 0.000 -0.000) 2.811 15.835 ( 6.452 0.000 -0.000) 6.452 16.201 ( 5.565 0.000 -0.000) 5.565 16.794 ( -1.409 -0.000 0.000) 1.409 17.040 ( -2.242 -0.000 0.000) 2.242 17.189 ( -4.999 -0.000 0.000) 4.999 17.246 ( -3.496 -0.000 0.000) 3.496 17.540 ( -0.586 -0.000 0.000) 0.586 17.657 ( -3.445 -0.000 0.000) 3.445 17.672 ( -3.766 -0.000 0.000) 3.766 17.821 ( 24.663 0.000 -0.000) 24.663 18.148 ( 6.139 0.000 -0.000) 6.139 18.539 ( 8.372 0.000 -0.000) 8.372 ======================= Grid point 40 (28/189) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.006 ( -0.000 36.260 7.410) 37.010 2.466 ( -0.000 26.065 24.627) 35.859 4.561 ( -0.000 45.948 23.997) 51.837 5.575 ( -0.000 -10.551 3.230) 11.035 5.961 ( 0.000 -7.779 -10.872) 13.368 6.397 ( 0.000 -7.210 -12.705) 14.609 7.458 ( -0.000 -25.337 5.657) 25.961 7.484 ( 0.000 -17.821 -11.252) 21.076 7.729 ( 0.000 -14.163 -18.020) 22.920 8.251 ( -0.000 4.379 -0.197) 4.383 9.013 ( -0.000 4.897 5.441) 7.320 9.264 ( 0.000 -0.746 -7.943) 7.978 12.869 ( -0.000 -0.329 5.592) 5.602 13.115 ( -0.000 2.991 5.833) 6.556 13.519 ( -0.000 12.959 5.579) 14.109 13.864 ( 0.000 5.605 -2.862) 6.294 14.044 ( -0.000 6.150 3.724) 7.189 14.410 ( 0.000 -5.904 0.354) 5.915 16.085 ( -0.000 -5.727 7.405) 9.361 16.411 ( -0.000 -1.548 5.154) 5.381 16.717 ( 0.000 5.602 -6.021) 8.224 17.126 ( 0.000 7.149 -5.799) 9.205 17.201 ( -0.000 2.204 8.294) 8.581 17.282 ( -0.000 5.195 2.444) 5.741 17.291 ( 0.000 0.083 -10.263) 10.263 17.523 ( -0.000 0.593 0.812) 1.005 17.754 ( -0.000 5.783 2.929) 6.482 17.968 ( 0.000 -13.015 -4.619) 13.811 18.315 ( -0.000 -6.374 4.262) 7.667 18.529 ( 0.000 -5.795 -5.357) 7.891 ======================= Grid point 41 (29/189) ======================= q-point: ( 0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.492 ( 11.833 33.434 8.731) 36.525 2.947 ( 10.802 25.477 22.418) 35.614 5.137 ( 5.327 37.298 14.551) 40.389 5.378 ( -11.461 -8.982 1.463) 14.635 5.923 ( 7.748 -6.889 -5.985) 11.971 6.209 ( -3.554 -7.752 -13.852) 16.267 7.076 ( -10.754 -20.296 -5.317) 23.577 7.361 ( 5.479 -22.942 -3.650) 23.868 7.507 ( 4.446 -16.633 -14.706) 22.643 8.333 ( 3.232 5.379 1.227) 6.394 9.022 ( -7.164 2.950 3.891) 8.670 9.199 ( -2.805 0.391 -6.327) 6.932 12.930 ( 3.993 -0.140 4.949) 6.361 13.208 ( 4.750 2.131 4.249) 6.720 13.682 ( 2.988 8.464 5.162) 10.354 13.908 ( 1.981 4.349 -4.099) 6.296 14.128 ( 2.364 2.810 1.796) 4.087 14.377 ( 1.889 -3.707 0.762) 4.230 16.050 ( -4.936 -3.232 8.217) 10.116 16.397 ( -4.652 0.204 5.031) 6.855 16.708 ( -2.389 4.097 -6.373) 7.944 17.125 ( -2.280 3.027 -7.089) 8.038 17.195 ( -2.669 1.538 -4.256) 5.254 17.279 ( -0.645 2.611 3.756) 4.619 17.374 ( 2.590 4.786 2.684) 6.068 17.566 ( 3.732 0.696 1.607) 4.123 17.812 ( -2.574 -3.911 -0.455) 4.704 17.843 ( -0.365 2.721 0.917) 2.894 18.269 ( -1.187 -6.443 4.328) 7.852 18.424 ( -2.759 -4.694 -4.399) 7.000 ======================= Grid point 42 (30/189) ======================= q-point: ( 0.42 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.082 ( 17.408 28.274 8.326) 34.232 3.537 ( 16.716 24.043 19.142) 34.985 5.044 ( -15.876 -8.776 -0.029) 18.140 5.565 ( -1.374 19.582 0.985) 19.655 5.914 ( 1.619 -4.491 -4.514) 6.570 6.070 ( 4.469 -1.920 -9.115) 10.332 6.736 ( -4.530 -14.753 -5.147) 16.269 7.161 ( 4.082 -20.647 -15.486) 26.130 7.448 ( 12.216 -18.034 3.818) 22.114 8.453 ( 3.382 5.880 1.686) 6.990 8.874 ( -15.134 -0.472 2.224) 15.304 9.098 ( -6.111 1.523 -4.893) 7.975 13.057 ( 8.105 0.415 3.714) 8.925 13.352 ( 7.688 1.142 3.165) 8.393 13.819 ( 3.631 2.960 2.298) 5.218 13.952 ( 2.792 2.248 -3.825) 5.242 14.186 ( 3.108 -0.736 0.396) 3.219 14.420 ( 4.285 -0.195 1.001) 4.404 15.970 ( -7.659 -0.471 6.567) 10.100 16.323 ( -8.647 1.734 3.136) 9.360 16.647 ( -3.011 0.631 -4.499) 5.450 17.038 ( -3.233 -3.919 -2.267) 5.563 17.149 ( -3.028 4.910 -7.855) 9.746 17.303 ( -2.657 3.434 4.164) 6.016 17.475 ( 1.078 5.289 3.589) 6.482 17.650 ( 0.861 -0.328 -0.110) 0.927 17.711 ( -0.160 -0.069 0.778) 0.797 17.918 ( 0.550 5.374 2.892) 6.127 18.211 ( -1.710 -6.239 3.952) 7.581 18.310 ( -4.064 -2.680 -2.952) 5.693 ======================= Grid point 43 (31/189) ======================= q-point: ( 0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.660 ( 18.375 21.133 6.957) 28.855 4.145 ( 17.073 21.830 15.353) 31.682 4.683 ( -16.586 -9.511 -1.298) 19.164 5.426 ( -19.564 2.031 -1.599) 19.734 5.952 ( 6.714 -2.279 -7.245) 10.137 6.089 ( 3.084 -0.891 -8.924) 9.484 6.661 ( 9.034 -3.468 -4.988) 10.887 6.980 ( 9.485 -18.988 -14.992) 25.986 7.600 ( 16.598 -11.370 13.153) 24.037 8.475 ( -20.246 -0.073 1.507) 20.302 8.630 ( -1.100 1.518 0.091) 1.877 8.982 ( -7.506 2.818 -3.051) 8.578 13.233 ( 10.327 0.184 1.835) 10.490 13.498 ( 6.704 0.434 2.385) 7.128 13.853 ( 1.279 -2.327 -4.283) 5.039 14.014 ( 3.429 1.028 0.807) 3.669 14.237 ( 4.284 -0.593 -0.892) 4.415 14.487 ( 2.585 -0.290 1.012) 2.791 15.893 ( -5.659 2.092 3.316) 6.884 16.199 ( -9.008 1.487 1.545) 9.260 16.588 ( -1.768 -0.867 -1.930) 2.757 16.930 ( -4.889 -4.890 3.015) 7.544 17.093 ( -2.507 3.523 -8.403) 9.451 17.320 ( -3.051 4.994 4.667) 7.485 17.535 ( -2.829 5.784 1.025) 6.520 17.587 ( -4.013 0.913 2.724) 4.935 17.816 ( 5.420 3.507 -0.734) 6.498 17.990 ( 1.674 2.867 2.596) 4.214 18.138 ( -2.738 -5.983 2.353) 6.988 18.207 ( -4.735 -1.467 -0.875) 5.034 ======================= Grid point 44 (32/189) ======================= q-point: ( 0.58 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.127 ( 10.400 9.047 2.399) 13.992 4.232 ( -15.399 -2.609 -0.344) 15.622 4.746 ( 13.507 15.662 10.460) 23.176 5.074 ( -21.719 0.297 2.287) 21.841 5.951 ( 5.374 -6.527 -9.040) 12.378 6.125 ( 7.847 2.213 -4.582) 9.352 6.770 ( 13.181 -7.970 -9.794) 18.253 6.990 ( 16.443 -8.673 -6.581) 19.721 7.852 ( -3.134 -1.948 7.933) 8.750 8.005 ( -13.560 -7.268 3.857) 15.861 8.730 ( 4.681 4.107 0.175) 6.230 8.874 ( -7.031 2.791 -1.041) 7.636 13.383 ( 6.794 -1.296 -0.880) 6.972 13.597 ( 2.262 0.238 4.242) 4.813 13.795 ( 0.262 -3.224 -7.562) 8.225 14.062 ( 2.013 -1.788 0.671) 2.775 14.301 ( 4.015 0.949 -1.363) 4.345 14.497 ( -1.591 -0.947 1.231) 2.223 15.876 ( -0.977 3.017 1.141) 3.371 16.106 ( -6.045 1.762 2.404) 6.739 16.545 ( 1.415 -2.507 -3.405) 4.459 16.853 ( -3.756 -2.104 7.813) 8.920 17.040 ( -0.682 1.283 -7.310) 7.453 17.361 ( -2.573 6.767 5.991) 9.397 17.506 ( -5.611 5.481 -0.359) 7.851 17.587 ( -2.069 2.015 2.980) 4.150 17.888 ( 1.315 0.841 -3.270) 3.624 18.035 ( -4.246 -4.983 0.109) 6.547 18.068 ( 3.449 1.452 2.096) 4.289 18.123 ( -3.706 -0.538 1.241) 3.945 ======================= Grid point 45 (33/189) ======================= q-point: (-0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.746 ( -25.413 -5.114 -3.202) 26.120 4.451 ( -6.540 2.524 3.207) 7.709 4.605 ( -10.655 3.688 -0.448) 11.285 5.282 ( 17.082 9.473 8.505) 21.304 5.951 ( 8.217 -5.642 -6.265) 11.773 6.321 ( 12.727 4.783 0.084) 13.597 6.840 ( 9.990 -8.945 -6.446) 14.879 7.078 ( -15.536 -2.563 -1.548) 15.822 7.417 ( -2.303 -2.644 -3.266) 4.791 8.227 ( 15.070 -1.574 6.904) 16.651 8.737 ( -6.765 1.883 -0.868) 7.076 8.898 ( 6.538 2.515 1.112) 7.093 13.393 ( -2.655 -1.509 -1.152) 3.263 13.556 ( -8.528 -1.856 0.022) 8.728 13.800 ( 6.708 -0.614 -2.781) 7.288 14.058 ( -0.014 -1.963 -0.431) 2.010 14.364 ( 2.911 1.523 -1.052) 3.450 14.437 ( -4.961 -1.208 0.939) 5.192 15.925 ( 2.128 2.567 1.375) 3.607 16.014 ( -8.080 0.285 0.289) 8.090 16.620 ( 12.563 -1.478 -0.501) 12.660 16.854 ( -0.319 0.421 4.743) 4.773 17.017 ( 1.609 -0.120 -3.956) 4.273 17.423 ( -3.019 6.376 6.666) 9.706 17.460 ( -5.444 3.936 -0.347) 6.726 17.572 ( -1.905 0.109 -0.095) 1.910 17.843 ( -2.505 -2.400 -2.513) 4.284 17.916 ( -4.969 -3.403 -0.804) 6.076 18.060 ( -2.598 0.320 0.572) 2.679 18.186 ( 5.528 1.543 1.069) 5.838 ======================= Grid point 46 (34/189) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.263 ( -29.134 -0.000 0.000) 29.134 3.972 ( -35.238 -0.000 0.000) 35.238 4.804 ( 14.744 0.000 -0.000) 14.744 5.603 ( 10.407 0.000 -0.000) 10.407 6.063 ( 11.686 0.000 -0.000) 11.686 6.344 ( -45.171 -0.000 0.000) 45.171 6.583 ( 14.921 0.000 -0.000) 14.921 7.075 ( 15.744 0.000 -0.000) 15.744 7.653 ( 20.263 0.000 -0.000) 20.263 8.451 ( 10.495 0.000 -0.000) 10.495 8.628 ( -7.067 -0.000 0.000) 7.067 9.044 ( 8.720 0.000 -0.000) 8.720 13.285 ( -8.428 -0.000 0.000) 8.428 13.365 ( -12.055 -0.000 0.000) 12.055 13.870 ( 1.140 0.000 -0.000) 1.140 14.050 ( 1.461 0.000 -0.000) 1.461 14.330 ( -7.201 -0.000 0.000) 7.201 14.402 ( 0.518 0.000 -0.000) 0.518 15.861 ( -7.981 -0.000 0.000) 7.981 16.017 ( 5.326 0.000 -0.000) 5.326 16.794 ( 3.207 0.000 -0.000) 3.207 16.984 ( 18.681 0.000 -0.000) 18.681 17.037 ( 1.996 0.000 -0.000) 1.996 17.390 ( -5.141 -0.000 0.000) 5.141 17.412 ( -5.291 -0.000 0.000) 5.291 17.553 ( -0.219 -0.000 0.000) 0.219 17.771 ( -3.412 -0.000 0.000) 3.412 17.813 ( -4.827 -0.000 0.000) 4.827 18.040 ( 0.087 0.000 -0.000) 0.087 18.295 ( 6.402 0.000 -0.000) 6.402 ======================= Grid point 53 (35/189) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.773 ( -0.000 32.208 11.074) 34.059 3.235 ( -0.000 24.940 22.390) 33.516 5.431 ( -0.000 -10.733 6.184) 12.387 5.495 ( -0.000 30.917 3.955) 31.169 5.742 ( 0.000 -1.426 -4.962) 5.162 6.077 ( 0.000 -6.502 -16.334) 17.581 6.982 ( 0.000 -19.096 -11.408) 22.244 7.027 ( -0.000 -28.481 8.185) 29.634 7.191 ( 0.000 -17.714 -20.833) 27.345 8.379 ( -0.000 6.546 3.317) 7.338 9.136 ( -0.000 2.583 3.510) 4.358 9.195 ( 0.000 1.533 -5.057) 5.284 12.918 ( -0.000 -0.847 4.197) 4.281 13.205 ( -0.000 1.737 2.252) 2.844 13.761 ( -0.000 5.307 5.400) 7.571 13.900 ( 0.000 3.348 -5.173) 6.162 14.134 ( -0.000 0.379 0.710) 0.805 14.330 ( -0.000 -2.444 0.376) 2.473 16.129 ( -0.000 -1.279 10.482) 10.559 16.475 ( -0.000 0.986 6.244) 6.322 16.727 ( 0.000 3.657 -8.151) 8.934 17.092 ( 0.000 -4.164 -7.988) 9.008 17.208 ( 0.000 4.640 -6.527) 8.008 17.354 ( -0.000 3.220 8.335) 8.936 17.419 ( -0.000 5.811 2.889) 6.490 17.545 ( -0.000 -0.589 2.456) 2.526 17.795 ( 0.000 -0.793 -2.948) 3.052 17.911 ( -0.000 6.598 2.132) 6.934 18.239 ( -0.000 -6.937 3.944) 7.980 18.382 ( 0.000 -3.993 -2.552) 4.739 ======================= Grid point 54 (36/189) ======================= q-point: ( 0.42 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.194 ( 8.283 27.198 10.425) 30.283 3.664 ( 8.953 22.594 19.580) 31.210 5.224 ( -14.134 -8.937 3.833) 17.156 5.677 ( 6.049 4.353 -7.073) 10.275 5.856 ( -2.548 6.693 -3.200) 7.844 5.956 ( 3.663 6.616 -10.961) 13.317 6.628 ( -7.011 -19.507 -4.478) 21.207 6.835 ( 0.760 -21.365 -13.780) 25.435 7.061 ( 15.111 -19.208 0.638) 24.448 8.479 ( 1.912 6.091 3.434) 7.250 9.097 ( -9.193 1.263 2.254) 9.549 9.163 ( -2.999 1.659 -3.438) 4.854 12.970 ( 4.610 -0.671 2.987) 5.533 13.271 ( 4.794 1.251 1.559) 5.194 13.822 ( 0.492 0.583 2.079) 2.214 13.916 ( 1.916 3.228 -3.330) 5.018 14.141 ( 1.323 -1.448 0.491) 2.022 14.347 ( 3.697 -0.749 -0.422) 3.795 16.138 ( -6.144 0.411 10.203) 11.917 16.484 ( -5.553 2.338 4.070) 7.271 16.669 ( -2.813 0.387 -6.809) 7.377 17.006 ( -0.118 -5.660 -2.407) 6.152 17.192 ( -2.272 5.060 -8.586) 10.222 17.413 ( -2.435 3.836 6.262) 7.737 17.505 ( 2.092 3.509 4.180) 5.845 17.600 ( 4.632 1.547 1.115) 5.009 17.762 ( -3.048 2.550 -2.000) 4.449 17.976 ( 0.137 4.554 0.875) 4.639 18.191 ( -0.703 -6.761 3.459) 7.627 18.327 ( -2.117 -1.721 -0.563) 2.786 ======================= Grid point 55 (37/189) ======================= q-point: ( 0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.644 ( 12.461 19.087 7.380) 23.960 4.164 ( 14.986 18.434 15.153) 28.178 4.898 ( -18.278 -6.967 1.385) 19.610 5.696 ( -8.096 5.497 -5.354) 11.155 5.787 ( 3.327 -3.854 -4.099) 6.536 6.012 ( -1.266 2.406 -7.953) 8.405 6.440 ( 5.506 -9.313 -6.055) 12.398 6.589 ( 5.547 -18.466 -14.364) 24.043 7.259 ( 20.922 -10.016 9.040) 24.895 8.586 ( 2.665 4.625 2.303) 5.813 8.874 ( -19.494 -1.041 0.986) 19.546 9.094 ( -5.303 1.869 -2.128) 6.012 13.087 ( 8.352 -0.411 1.484) 8.492 13.392 ( 7.524 0.707 1.281) 7.665 13.813 ( -0.376 -1.664 -1.987) 2.619 13.978 ( 2.998 1.739 0.113) 3.468 14.165 ( 2.999 -0.792 -0.005) 3.102 14.414 ( 5.252 -0.851 -0.659) 5.361 16.071 ( -9.251 1.847 7.350) 11.959 16.366 ( -9.871 0.804 -2.248) 10.156 16.611 ( -2.294 -0.150 -0.648) 2.388 16.951 ( -0.829 -4.990 3.420) 6.106 17.126 ( -3.973 3.726 -9.419) 10.881 17.442 ( -2.474 4.660 4.908) 7.206 17.581 ( 1.543 0.270 3.974) 4.272 17.676 ( -1.820 4.206 -1.742) 4.903 17.765 ( 3.348 3.598 -0.363) 4.929 18.010 ( 0.194 1.648 0.161) 1.667 18.131 ( -1.569 -5.805 2.403) 6.475 18.271 ( -3.975 0.030 0.758) 4.047 ======================= Grid point 56 (38/189) ======================= q-point: ( 0.58 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.022 ( 13.259 8.741 3.162) 16.193 4.519 ( -20.694 -2.314 -0.633) 20.833 4.663 ( 17.844 10.088 9.609) 22.639 5.474 ( -21.964 2.196 1.285) 22.110 5.773 ( 3.081 -4.476 -6.470) 8.449 5.999 ( 5.795 0.751 -3.639) 6.884 6.433 ( 10.157 -9.518 -8.019) 16.065 6.618 ( 16.405 -4.625 -4.320) 17.583 7.608 ( 21.775 -2.762 6.695) 22.948 8.454 ( -29.637 -1.484 0.155) 29.675 8.687 ( 3.880 2.121 0.620) 4.465 9.001 ( -6.651 1.261 -0.859) 6.824 13.236 ( 9.283 -0.421 0.151) 9.294 13.532 ( 7.647 0.460 1.463) 7.799 13.763 ( -2.224 -1.531 -2.644) 3.779 14.025 ( 1.736 -0.461 0.340) 1.828 14.228 ( 4.752 0.463 -0.433) 4.794 14.477 ( 3.282 -0.815 -0.010) 3.382 15.982 ( -7.296 2.194 2.988) 8.184 16.217 ( -6.330 -0.036 -0.809) 6.381 16.545 ( -4.474 -0.882 -1.454) 4.786 16.933 ( -1.441 -3.111 9.372) 9.979 17.031 ( -3.581 2.385 -10.308) 11.170 17.487 ( -1.331 5.433 4.482) 7.168 17.602 ( -0.188 -1.523 0.646) 1.665 17.641 ( -4.814 3.116 -0.355) 5.745 17.857 ( 3.051 1.976 -2.069) 4.183 18.034 ( 2.269 0.336 0.681) 2.393 18.058 ( -3.141 -3.702 1.020) 4.961 18.204 ( -5.050 0.272 0.918) 5.140 ======================= Grid point 57 (39/189) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.104 ( -20.820 -0.000 0.000) 20.820 4.319 ( 10.877 0.000 -0.000) 10.877 5.060 ( 19.141 0.000 -0.000) 19.141 5.060 ( -28.842 -0.000 0.000) 28.842 5.787 ( 5.162 0.000 -0.000) 5.162 6.146 ( 11.141 0.000 -0.000) 11.141 6.553 ( 13.252 0.000 -0.000) 13.252 6.887 ( 19.266 0.000 -0.000) 19.266 7.891 ( -37.190 -0.000 0.000) 37.190 7.958 ( 19.338 0.000 -0.000) 19.338 8.772 ( 4.310 0.000 -0.000) 4.310 8.897 ( -5.862 -0.000 0.000) 5.862 13.360 ( 5.278 0.000 -0.000) 5.278 13.666 ( 7.546 0.000 -0.000) 7.546 13.676 ( -6.082 -0.000 0.000) 6.082 14.041 ( 0.837 0.000 -0.000) 0.837 14.306 ( 4.322 0.000 -0.000) 4.322 14.491 ( -1.347 -0.000 0.000) 1.347 15.925 ( -1.609 -0.000 0.000) 1.609 16.140 ( -5.113 -0.000 0.000) 5.113 16.484 ( 1.066 0.000 -0.000) 1.066 16.919 ( -4.267 -0.000 0.000) 4.267 16.974 ( 1.350 0.000 -0.000) 1.350 17.539 ( -0.851 -0.000 0.000) 0.851 17.554 ( -2.632 -0.000 0.000) 2.632 17.576 ( -4.223 -0.000 0.000) 4.223 17.863 ( -1.504 -0.000 0.000) 1.504 17.977 ( -4.687 -0.000 0.000) 4.687 18.106 ( 5.217 0.000 -0.000) 5.217 18.126 ( -4.688 -0.000 0.000) 4.688 ======================= Grid point 66 (40/189) ======================= q-point: ( 0.42 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.424 ( -0.000 21.392 9.637) 23.463 3.895 ( -0.000 18.188 16.183) 24.345 5.318 ( -0.000 -9.073 5.654) 10.690 5.545 ( 0.000 -1.285 -5.444) 5.593 5.848 ( 0.000 2.174 -9.753) 9.993 6.051 ( 0.000 21.238 -11.810) 24.301 6.541 ( 0.000 -17.071 -11.524) 20.597 6.611 ( 0.000 -14.140 -14.852) 20.506 6.643 ( -0.000 -25.155 16.397) 30.028 8.539 ( -0.000 4.974 3.434) 6.044 9.184 ( 0.000 1.563 -2.259) 2.747 9.201 ( -0.000 1.125 1.734) 2.067 12.939 ( -0.000 -0.766 2.024) 2.164 13.249 ( -0.000 1.181 0.902) 1.486 13.819 ( 0.000 -1.252 -0.783) 1.477 13.917 ( 0.000 2.771 -0.692) 2.856 14.122 ( -0.000 -1.385 1.052) 1.739 14.301 ( 0.000 -0.720 -1.512) 1.674 16.272 ( -0.000 1.584 11.783) 11.889 16.585 ( -0.000 2.322 5.606) 6.068 16.643 ( 0.000 -0.512 -10.297) 10.310 16.934 ( 0.000 -5.368 -0.915) 5.446 17.205 ( 0.000 3.946 -8.039) 8.956 17.509 ( -0.000 3.004 6.587) 7.240 17.554 ( -0.000 5.171 1.060) 5.278 17.561 ( -0.000 -0.720 2.233) 2.346 17.806 ( 0.000 3.982 -2.518) 4.711 18.003 ( 0.000 1.802 -0.681) 1.926 18.153 ( -0.000 -6.228 2.841) 6.845 18.341 ( -0.000 0.237 1.162) 1.186 ======================= Grid point 67 (41/189) ======================= q-point: ( 0.50 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.682 ( 6.098 11.586 5.375) 14.153 4.184 ( 8.635 10.576 9.457) 16.609 5.127 ( -14.223 -4.461 1.384) 14.971 5.604 ( 7.814 -0.792 -2.918) 8.379 5.844 ( -3.206 6.493 -0.527) 7.260 6.113 ( -4.493 12.386 -11.528) 17.506 6.278 ( 0.448 -16.473 -3.393) 16.824 6.288 ( -4.061 -15.029 -6.634) 16.923 6.859 ( 22.588 -6.920 5.403) 24.234 8.602 ( 1.159 2.663 1.824) 3.430 9.129 ( -10.714 0.264 0.782) 10.746 9.163 ( -2.762 0.935 -1.072) 3.107 12.981 ( 4.691 -0.395 0.894) 4.792 13.302 ( 4.628 0.640 0.537) 4.702 13.798 ( -0.351 -1.069 -1.127) 1.592 13.952 ( 1.893 1.205 0.073) 2.245 14.128 ( 1.192 -0.572 0.707) 1.499 14.319 ( 3.974 -0.644 -1.177) 4.195 16.288 ( -7.962 1.890 9.405) 12.467 16.489 ( -7.939 -0.861 -7.089) 10.678 16.641 ( -0.321 0.985 1.546) 1.861 16.912 ( 1.886 -3.116 0.935) 3.760 17.168 ( -2.897 2.067 -5.446) 6.506 17.535 ( -1.885 2.469 1.945) 3.665 17.578 ( 0.979 -0.502 4.105) 4.250 17.652 ( 4.882 2.680 -0.989) 5.656 17.806 ( -2.398 2.978 -1.248) 4.022 18.010 ( 0.364 0.216 -0.721) 0.836 18.113 ( -0.548 -3.956 1.637) 4.316 18.335 ( -2.329 0.717 1.045) 2.651 ======================= Grid point 68 (42/189) ======================= q-point: (-0.42 -0.58 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.886 ( 10.141 0.000 -0.000) 10.141 4.465 ( 15.349 0.000 -0.000) 15.349 4.836 ( -18.967 -0.000 0.000) 18.967 5.694 ( 3.688 0.000 -0.000) 3.688 5.776 ( -10.195 -0.000 0.000) 10.195 5.977 ( -8.202 -0.000 0.000) 8.202 6.205 ( 7.541 0.000 -0.000) 7.541 6.341 ( 12.473 0.000 -0.000) 12.473 7.234 ( 23.997 0.000 -0.000) 23.997 8.648 ( 2.304 0.000 -0.000) 2.304 8.870 ( -21.150 -0.000 0.000) 21.150 9.100 ( -5.033 -0.000 0.000) 5.033 13.089 ( 8.169 0.000 -0.000) 8.169 13.409 ( 7.547 0.000 -0.000) 7.547 13.778 ( -1.077 -0.000 0.000) 1.077 13.993 ( 2.217 0.000 -0.000) 2.217 14.162 ( 3.179 0.000 -0.000) 3.179 14.395 ( 5.563 0.000 -0.000) 5.563 16.164 ( -11.128 -0.000 0.000) 11.128 16.324 ( -7.967 -0.000 0.000) 7.967 16.615 ( -3.843 -0.000 0.000) 3.843 16.934 ( 1.671 0.000 -0.000) 1.671 17.092 ( -5.127 -0.000 0.000) 5.127 17.541 ( -0.330 -0.000 0.000) 0.330 17.592 ( -0.098 -0.000 0.000) 0.098 17.716 ( -0.922 -0.000 0.000) 0.922 17.800 ( 2.564 0.000 -0.000) 2.564 18.015 ( 0.535 0.000 -0.000) 0.535 18.082 ( -1.622 -0.000 0.000) 1.622 18.288 ( -4.265 -0.000 0.000) 4.265 ======================= Grid point 81 (43/189) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.706 ( -0.000 0.000 0.000) 0.000 4.192 ( -0.000 0.000 0.000) 0.000 5.248 ( 0.000 0.000 -0.000) 0.000 5.501 ( -0.000 0.000 0.000) 0.000 5.970 ( -0.000 0.000 0.000) 0.000 6.082 ( 0.000 -0.000 -0.000) 0.000 6.129 ( 0.000 0.000 -0.000) 0.000 6.433 ( 0.000 0.000 -0.000) 0.000 6.532 ( -0.000 0.000 0.000) 0.000 8.612 ( 0.000 0.000 -0.000) 0.000 9.187 ( -0.000 0.000 0.000) 0.000 9.222 ( -0.000 0.000 0.000) 0.000 12.943 ( -0.000 0.000 0.000) 0.000 13.268 ( -0.000 0.000 0.000) 0.000 13.791 ( 0.000 -0.000 -0.000) 0.000 13.942 ( -0.000 0.000 0.000) 0.000 14.119 ( -0.000 0.000 0.000) 0.000 14.277 ( -0.000 0.000 0.000) 0.000 16.419 ( 0.000 0.000 -0.000) 0.000 16.514 ( -0.000 0.000 0.000) 0.000 16.654 ( -0.000 0.000 0.000) 0.000 16.877 ( -0.000 -0.000 0.000) 0.000 17.186 ( 0.000 0.000 -0.000) 0.000 17.568 ( -0.000 0.000 0.000) 0.000 17.588 ( 0.000 0.000 -0.000) 0.000 17.611 ( -0.000 -0.000 0.000) 0.000 17.839 ( -0.000 0.000 0.000) 0.000 18.004 ( -0.000 0.000 0.000) 0.000 18.102 ( 0.000 0.000 -0.000) 0.000 18.362 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 162 (44/189) ======================= q-point: ( 0.08 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.809 ( -0.000 0.000 44.477) 44.477 0.809 ( -0.000 0.000 44.477) 44.477 1.115 ( -0.000 0.000 61.293) 61.293 5.991 ( -0.000 0.000 0.129) 0.129 6.598 ( 0.000 -0.000 -10.096) 10.096 6.598 ( 0.000 -0.000 -10.096) 10.096 8.154 ( 0.000 0.000 0.493) 0.493 8.154 ( -0.000 -0.000 0.493) 0.493 8.243 ( 0.000 -0.000 -6.429) 6.429 8.516 ( 0.000 -0.000 0.352) 0.352 8.516 ( 0.000 0.000 0.352) 0.352 9.548 ( 0.000 -0.000 -8.874) 8.874 12.741 ( -0.000 0.000 4.669) 4.669 12.791 ( -0.000 0.000 7.337) 7.337 12.791 ( -0.000 0.000 7.337) 7.337 13.595 ( -0.000 0.000 4.308) 4.308 13.595 ( -0.000 0.000 4.308) 4.308 14.594 ( -0.000 0.000 1.543) 1.543 16.451 ( -0.000 0.000 2.005) 2.005 16.451 ( -0.000 0.000 2.005) 2.005 16.739 ( 0.000 -0.000 -10.763) 10.763 16.989 ( 0.000 -0.000 -2.435) 2.435 16.989 ( 0.000 -0.000 -2.435) 2.435 17.143 ( -0.000 0.000 9.557) 9.557 17.395 ( 0.000 -0.000 -10.163) 10.163 17.523 ( -0.000 0.000 0.809) 0.809 17.523 ( -0.000 0.000 0.809) 0.809 18.482 ( -0.000 0.000 1.440) 1.440 18.726 ( 0.000 -0.000 -4.797) 4.797 18.726 ( 0.000 -0.000 -4.797) 4.797 ======================= Grid point 163 (45/189) ======================= q-point: ( 0.17 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.897 ( 10.342 5.971 28.586) 30.981 1.277 ( 16.793 9.695 37.814) 42.495 2.177 ( 41.845 24.159 48.799) 68.674 5.891 ( -9.064 -5.233 -1.315) 10.549 6.485 ( -0.171 -0.099 -12.674) 12.675 6.566 ( -0.938 -0.542 -9.872) 9.932 7.964 ( -13.472 -7.778 -2.270) 15.721 8.189 ( -0.782 -0.451 -7.961) 8.012 8.222 ( 1.584 0.915 3.642) 4.076 8.367 ( -5.568 -3.215 -6.075) 8.846 8.646 ( 4.215 2.433 4.667) 6.743 9.460 ( -2.478 -1.431 -11.059) 11.423 12.812 ( -0.017 -0.010 8.249) 8.249 12.889 ( 9.872 5.700 5.866) 12.820 12.896 ( 3.132 1.808 10.704) 11.298 13.627 ( 2.248 1.298 3.435) 4.305 13.752 ( 7.822 4.516 3.399) 9.651 14.583 ( -1.823 -1.053 1.694) 2.702 16.384 ( -8.567 -4.946 2.246) 10.144 16.424 ( -3.123 -1.803 1.832) 4.045 16.624 ( -0.811 -0.468 -4.220) 4.322 16.990 ( 1.341 0.774 -2.434) 2.885 17.015 ( 2.563 1.480 -1.095) 3.156 17.156 ( -1.825 -1.054 8.122) 8.391 17.336 ( 0.709 0.409 -12.395) 12.422 17.523 ( 0.701 0.405 0.296) 0.862 17.569 ( 2.463 1.422 1.998) 3.475 18.460 ( -2.684 -1.550 1.787) 3.578 18.639 ( -6.206 -3.583 -4.905) 8.684 18.681 ( -1.407 -0.812 -9.677) 9.813 ======================= Grid point 164 (46/189) ======================= q-point: ( 0.25 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.493 ( 30.883 17.830 6.757) 36.295 1.929 ( 23.223 13.408 31.364) 41.264 3.360 ( 41.557 23.993 39.131) 61.918 5.612 ( -14.034 -8.102 -4.031) 16.699 6.429 ( -6.866 -3.964 -8.130) 11.356 6.433 ( 1.393 0.804 -11.160) 11.275 7.576 ( -19.484 -11.249 -2.292) 22.614 8.119 ( -0.627 -0.362 -9.759) 9.786 8.231 ( -1.896 -1.094 -11.389) 11.597 8.261 ( -0.799 -0.462 6.333) 6.400 8.718 ( -0.917 -0.529 4.946) 5.058 9.315 ( -4.405 -2.543 -11.484) 12.560 12.883 ( 2.312 1.335 8.423) 8.835 13.057 ( 5.141 2.968 12.707) 14.026 13.222 ( 16.453 9.499 5.189) 19.694 13.727 ( 5.278 3.047 1.807) 6.357 13.944 ( 7.633 4.407 4.219) 9.772 14.541 ( -2.761 -1.594 1.601) 3.567 16.171 ( -11.253 -6.497 2.576) 13.247 16.339 ( -5.431 -3.136 1.216) 6.388 16.619 ( 1.176 0.679 -3.650) 3.895 17.013 ( 1.797 1.037 -1.673) 2.665 17.063 ( 2.186 1.262 -0.944) 2.695 17.177 ( -0.356 -0.205 5.680) 5.695 17.267 ( -0.132 -0.076 -13.301) 13.302 17.563 ( 2.968 1.714 0.394) 3.450 17.651 ( 3.649 2.107 2.469) 4.884 18.397 ( -4.249 -2.453 1.907) 5.264 18.409 ( -11.992 -6.923 -3.243) 14.222 18.548 ( -4.837 -2.793 -9.839) 11.314 ======================= Grid point 165 (47/189) ======================= q-point: ( 0.33 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.239 ( 34.668 20.016 0.839) 40.040 2.643 ( 25.888 14.946 26.796) 40.144 4.415 ( 35.846 20.696 26.728) 49.271 5.266 ( -14.913 -8.610 -4.519) 17.804 6.171 ( -12.405 -7.162 -5.761) 15.439 6.390 ( 0.442 0.255 -10.637) 10.649 7.155 ( -17.245 -9.956 -0.239) 19.914 8.049 ( 1.225 0.707 -15.380) 15.445 8.155 ( 1.056 0.610 -9.368) 9.447 8.257 ( -4.110 -2.373 8.656) 9.872 8.662 ( -6.008 -3.469 3.603) 7.817 9.125 ( -7.252 -4.187 -10.557) 13.475 13.021 ( 5.793 3.345 8.126) 10.525 13.265 ( 6.752 3.898 12.069) 14.369 13.621 ( 16.880 9.746 3.105) 19.737 13.864 ( 6.429 3.712 0.048) 7.424 14.130 ( 7.006 4.045 3.992) 9.021 14.491 ( -2.497 -1.441 1.479) 3.240 15.947 ( -10.444 -6.030 2.969) 12.420 16.211 ( -6.685 -3.860 0.913) 7.773 16.612 ( 0.364 0.210 -4.294) 4.315 17.044 ( 1.576 0.910 -0.533) 1.896 17.089 ( 0.532 0.307 -0.816) 1.022 17.165 ( -2.148 -1.240 -12.561) 12.804 17.200 ( -0.113 -0.065 3.421) 3.424 17.657 ( 5.143 2.969 0.884) 6.004 17.745 ( 3.284 1.896 1.621) 4.124 18.086 ( -14.882 -8.592 -1.936) 17.293 18.325 ( -4.316 -2.492 3.914) 6.337 18.376 ( -5.497 -3.174 -7.825) 10.076 ======================= Grid point 166 (48/189) ======================= q-point: ( 0.42 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.985 ( 33.001 19.053 0.946) 38.118 3.355 ( 25.381 14.654 21.929) 36.603 4.926 ( -13.983 -8.073 -2.520) 16.342 5.087 ( 9.418 5.437 5.113) 12.017 5.948 ( 0.268 0.155 0.984) 1.032 6.322 ( -0.410 -0.237 -11.299) 11.309 6.865 ( -9.368 -5.409 3.593) 11.398 7.990 ( 3.336 1.926 -20.057) 20.423 8.145 ( -12.397 -7.158 8.205) 16.500 8.178 ( 4.692 2.709 -2.983) 6.185 8.549 ( -5.649 -3.261 5.593) 8.592 8.871 ( -10.045 -5.799 -9.523) 15.008 13.228 ( 8.732 5.041 7.312) 12.455 13.472 ( 6.125 3.536 7.498) 10.308 13.943 ( 11.134 6.428 -1.193) 12.912 13.990 ( 5.101 2.945 -0.581) 5.919 14.288 ( 5.143 2.969 3.239) 6.765 14.456 ( -1.489 -0.860 0.985) 1.982 15.784 ( -5.265 -3.040 2.807) 6.697 16.073 ( -6.310 -3.643 1.523) 7.443 16.591 ( 0.183 0.106 -3.281) 3.288 17.024 ( -4.369 -2.522 -9.837) 11.056 17.074 ( 0.932 0.538 0.587) 1.226 17.076 ( -0.957 -0.552 -0.920) 1.437 17.215 ( 0.011 0.006 2.451) 2.451 17.676 ( -12.545 -7.243 -0.487) 14.494 17.785 ( 5.856 3.381 0.740) 6.803 17.900 ( 1.135 0.655 2.101) 2.476 18.229 ( -4.478 -2.585 -4.619) 6.933 18.256 ( -4.423 -2.554 4.196) 6.610 ======================= Grid point 167 (49/189) ======================= q-point: ( 0.50 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.667 ( 27.999 16.165 3.808) 32.554 3.950 ( 16.351 9.440 12.329) 22.550 4.667 ( -7.545 -4.356 4.614) 9.858 4.849 ( -21.359 -12.331 -8.902) 26.220 6.169 ( 10.484 6.053 -3.160) 12.512 6.257 ( 1.437 0.830 -11.372) 11.492 6.863 ( 7.673 4.430 6.956) 11.264 7.767 ( -25.650 -14.809 3.027) 29.773 7.963 ( 5.474 3.160 -19.776) 20.761 8.327 ( 8.785 5.072 3.332) 10.678 8.504 ( -3.250 -1.876 9.144) 9.883 8.617 ( -8.124 -4.690 -4.941) 10.603 13.467 ( 8.684 5.014 5.926) 11.648 13.580 ( 0.895 0.517 0.087) 1.038 14.055 ( 1.492 0.862 -7.954) 8.139 14.090 ( 4.442 2.564 1.167) 5.260 14.381 ( 1.860 1.074 2.887) 3.598 14.421 ( -2.265 -1.308 -1.181) 2.869 15.775 ( 2.653 1.532 2.262) 3.808 15.962 ( -5.089 -2.938 1.827) 6.154 16.611 ( 3.543 2.045 0.391) 4.109 16.862 ( -6.103 -3.523 -3.566) 7.898 17.053 ( -0.339 -0.196 -0.611) 0.725 17.094 ( 0.393 0.227 1.059) 1.152 17.235 ( 0.348 0.201 2.963) 2.990 17.417 ( -9.976 -5.759 2.404) 11.767 17.907 ( 5.037 2.908 -0.465) 5.835 17.975 ( 3.777 2.180 1.025) 4.480 18.122 ( -3.725 -2.151 -2.067) 4.772 18.176 ( -5.277 -3.047 3.602) 7.079 ======================= Grid point 168 (50/189) ======================= q-point: (-0.42 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.988 ( -13.241 -7.645 -1.085) 15.328 4.156 ( -9.373 -5.412 4.705) 11.802 4.324 ( 3.370 1.945 -9.442) 10.212 4.851 ( 15.759 9.099 14.601) 23.331 6.280 ( 4.514 2.606 -4.597) 6.950 6.281 ( 6.879 3.972 -8.590) 11.700 7.086 ( -36.292 -20.953 -2.724) 41.995 7.187 ( 17.403 10.048 -3.012) 20.320 7.995 ( 7.711 4.452 -17.132) 19.308 8.428 ( -5.304 -3.062 -0.409) 6.138 8.542 ( -2.134 -1.232 12.352) 12.596 8.589 ( 11.634 6.717 8.334) 15.809 13.509 ( -5.901 -3.407 -3.564) 7.689 13.604 ( -0.760 -0.439 0.236) 0.908 13.984 ( 0.363 0.209 -8.430) 8.441 14.188 ( 2.699 1.558 0.212) 3.123 14.334 ( -3.878 -2.239 -3.362) 5.600 14.412 ( -0.151 -0.087 0.915) 0.932 15.853 ( -5.800 -3.349 0.417) 6.710 15.877 ( 4.472 2.582 2.648) 5.803 16.753 ( -3.641 -2.102 4.758) 6.350 16.790 ( 12.068 6.967 3.284) 14.316 17.065 ( 1.169 0.675 1.441) 1.974 17.104 ( 0.115 0.066 1.012) 1.021 17.270 ( 1.226 0.708 3.686) 3.948 17.285 ( -4.358 -2.516 3.593) 6.184 17.981 ( 1.266 0.731 -3.050) 3.382 18.042 ( -1.651 -0.953 -0.454) 1.959 18.058 ( -2.869 -1.657 0.674) 3.381 18.079 ( 1.135 0.655 2.767) 3.062 ======================= Grid point 169 (51/189) ======================= q-point: (-0.33 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.505 ( -31.271 -18.054 -9.494) 37.336 3.565 ( -23.135 -13.357 -2.466) 26.828 4.727 ( 17.372 10.030 5.994) 20.936 5.296 ( 14.130 8.158 12.803) 20.740 6.202 ( -39.888 -23.029 -6.170) 46.470 6.366 ( 5.601 3.234 -2.935) 7.102 6.461 ( 13.095 7.560 -5.034) 15.936 7.509 ( 15.834 9.142 -11.575) 21.639 8.091 ( 9.686 5.592 -14.174) 18.056 8.337 ( -3.457 -1.996 1.673) 4.328 8.587 ( -1.531 -0.884 14.517) 14.624 8.903 ( 11.692 6.751 8.955) 16.201 13.315 ( -9.433 -5.446 -2.732) 11.230 13.417 ( -10.728 -6.194 -9.357) 15.524 14.026 ( 3.427 1.978 -0.796) 4.036 14.107 ( -7.643 -4.413 -5.397) 10.345 14.278 ( -1.493 -0.862 -1.879) 2.550 14.386 ( -1.577 -0.911 -1.527) 2.377 15.744 ( -3.272 -1.889 0.836) 3.869 15.995 ( 4.514 2.606 4.363) 6.798 16.750 ( -0.927 -0.535 7.635) 7.710 17.092 ( 4.762 2.749 0.249) 5.504 17.114 ( 0.056 0.033 1.001) 1.003 17.168 ( 14.674 8.472 6.599) 18.183 17.242 ( -2.051 -1.184 3.448) 4.183 17.339 ( 3.033 1.751 3.954) 5.282 17.902 ( -4.398 -2.539 -3.349) 6.083 17.923 ( -7.214 -4.165 1.191) 8.414 18.068 ( 2.651 1.530 -2.319) 3.840 18.207 ( 6.663 3.847 2.271) 8.022 ======================= Grid point 170 (52/189) ======================= q-point: (-0.25 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.756 ( -32.247 -18.618 -8.171) 38.122 2.980 ( -28.483 -16.445 -4.316) 33.172 4.986 ( -48.179 -27.816 2.592) 55.693 5.109 ( 14.553 8.402 6.264) 17.934 5.896 ( 14.691 8.482 -0.749) 16.980 6.479 ( 5.661 3.268 -1.166) 6.640 6.786 ( 17.836 10.297 0.702) 20.607 7.738 ( 12.416 7.169 -13.380) 19.611 8.229 ( 9.997 5.772 -13.204) 17.539 8.292 ( -1.821 -1.051 2.228) 3.064 8.640 ( -1.850 -1.068 14.619) 14.775 9.181 ( 9.403 5.429 6.057) 12.432 13.094 ( -9.449 -5.455 -0.301) 10.915 13.121 ( -9.950 -5.745 -10.006) 15.236 13.854 ( -12.503 -7.218 -5.170) 15.335 14.037 ( -3.601 -2.079 1.944) 4.590 14.174 ( -6.340 -3.660 -3.226) 8.000 14.365 ( 1.636 0.945 -2.548) 3.172 15.756 ( 3.640 2.101 1.825) 4.582 16.125 ( 4.813 2.779 4.357) 7.062 16.775 ( -0.944 -0.545 6.207) 6.302 17.101 ( -1.878 -1.085 -0.115) 2.172 17.134 ( -0.493 -0.285 4.011) 4.051 17.225 ( -1.344 -0.776 2.847) 3.243 17.441 ( 3.214 1.856 5.418) 6.568 17.583 ( 17.538 10.125 -0.889) 20.270 17.776 ( -6.539 -3.775 0.978) 7.614 17.792 ( -1.927 -1.113 -2.898) 3.654 18.119 ( 3.813 2.201 -2.907) 5.276 18.390 ( 8.388 4.843 3.177) 10.193 ======================= Grid point 171 (53/189) ======================= q-point: (-0.17 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.020 ( -31.871 -18.401 -3.347) 36.954 2.281 ( -32.158 -18.567 -8.703) 38.139 3.849 ( -55.838 -32.238 5.602) 64.719 5.440 ( 12.922 7.460 4.503) 15.586 6.217 ( 13.670 7.893 -2.954) 16.059 6.589 ( 4.449 2.568 0.596) 5.171 7.235 ( 21.250 12.269 4.840) 25.011 7.898 ( 9.246 5.338 -10.990) 15.322 8.279 ( -0.519 -0.300 1.100) 1.253 8.341 ( 7.381 4.261 -13.795) 16.215 8.673 ( -3.109 -1.795 13.273) 13.750 9.380 ( 6.724 3.882 2.113) 8.046 12.891 ( -6.315 -3.646 -6.637) 9.860 12.918 ( -7.101 -4.100 2.463) 8.561 13.508 ( -16.739 -9.664 -2.650) 19.510 13.915 ( -7.873 -4.545 2.770) 9.503 13.999 ( -7.135 -4.119 -3.679) 9.023 14.420 ( 3.886 2.243 -1.376) 4.693 15.901 ( 8.054 4.650 1.584) 9.434 16.248 ( 4.399 2.540 3.077) 5.939 16.776 ( -1.882 -1.087 3.865) 4.434 17.033 ( -3.609 -2.083 -1.017) 4.289 17.124 ( -2.336 -1.349 3.135) 4.136 17.208 ( -1.837 -1.061 1.887) 2.839 17.514 ( 0.934 0.539 2.480) 2.704 17.632 ( -2.947 -1.701 -4.935) 5.994 17.661 ( -4.593 -2.652 1.499) 5.511 18.052 ( 17.866 10.315 -0.444) 20.635 18.212 ( 6.119 3.533 -1.602) 7.244 18.593 ( 8.290 4.786 2.525) 9.900 ======================= Grid point 172 (54/189) ======================= q-point: (-0.08 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.348 ( -30.223 -17.449 6.721) 35.540 1.469 ( -35.538 -20.518 -16.949) 44.398 2.687 ( -57.031 -32.927 20.771) 69.051 5.718 ( 10.598 6.119 1.988) 12.398 6.440 ( 9.775 5.643 -6.873) 13.215 6.672 ( 2.507 1.448 0.826) 3.011 7.721 ( 19.204 11.087 5.738) 22.905 8.011 ( 6.238 3.602 -7.467) 10.375 8.277 ( 0.214 0.124 -1.116) 1.144 8.385 ( 4.497 2.596 -12.422) 13.463 8.660 ( -4.587 -2.648 10.486) 11.748 9.505 ( 4.723 2.727 -1.828) 5.752 12.769 ( -2.668 -1.540 -1.726) 3.531 12.818 ( -4.202 -2.426 4.959) 6.938 13.124 ( -16.960 -9.792 0.372) 19.587 13.760 ( -7.605 -4.391 3.585) 9.485 13.838 ( -5.549 -3.204 -3.676) 7.387 14.499 ( 3.506 2.024 -0.020) 4.048 16.103 ( 9.297 5.368 1.662) 10.863 16.350 ( 3.463 1.999 2.084) 4.509 16.732 ( -3.456 -1.995 0.454) 4.016 16.962 ( -2.582 -1.491 2.385) 3.818 17.076 ( -2.874 -1.659 0.652) 3.382 17.167 ( -2.398 -1.385 0.258) 2.781 17.513 ( -0.942 -0.544 -1.751) 2.061 17.551 ( -1.863 -1.076 -3.590) 4.185 17.592 ( -2.909 -1.679 1.943) 3.880 18.328 ( 6.035 3.484 1.567) 7.143 18.418 ( 14.242 8.222 -3.448) 16.802 18.761 ( 6.044 3.489 -0.364) 6.988 ======================= Grid point 175 (55/189) ======================= q-point: ( 0.17 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.047 ( -0.000 -6.964 42.192) 42.762 1.476 ( -0.000 14.126 38.882) 41.369 2.510 ( -0.000 48.252 47.887) 67.981 5.915 ( 0.000 -7.029 -0.150) 7.031 6.329 ( 0.000 -6.913 -15.787) 17.234 6.540 ( 0.000 3.973 -12.916) 13.513 8.022 ( 0.000 -8.672 -3.213) 9.248 8.106 ( 0.000 -6.501 -4.839) 8.105 8.190 ( 0.000 -0.575 -0.110) 0.585 8.307 ( 0.000 -12.114 -5.841) 13.448 8.699 ( -0.000 9.210 3.996) 10.040 9.390 ( 0.000 -1.773 -13.365) 13.482 12.865 ( -0.000 -1.709 9.877) 10.023 12.918 ( -0.000 9.336 6.536) 11.397 12.963 ( -0.000 4.523 12.628) 13.414 13.680 ( -0.000 3.669 2.620) 4.508 13.747 ( -0.000 6.082 7.041) 9.304 14.590 ( -0.000 -2.745 1.576) 3.166 16.375 ( -0.000 -9.487 1.785) 9.653 16.471 ( -0.000 -1.782 3.542) 3.965 16.603 ( 0.000 1.181 -5.822) 5.940 16.967 ( 0.000 2.205 -4.270) 4.806 17.019 ( 0.000 5.348 -1.787) 5.639 17.210 ( -0.000 -3.262 9.691) 10.225 17.264 ( 0.000 2.246 -14.067) 14.245 17.515 ( -0.000 -0.669 0.701) 0.969 17.585 ( -0.000 3.074 2.123) 3.736 18.468 ( -0.000 -3.218 0.812) 3.319 18.539 ( 0.000 -9.351 -7.556) 12.022 18.687 ( 0.000 0.948 -8.545) 8.597 ======================= Grid point 176 (56/189) ======================= q-point: ( 0.25 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.382 ( 13.050 12.785 26.910) 32.525 1.966 ( 13.557 15.945 34.614) 40.449 3.406 ( 20.320 41.245 40.957) 61.576 5.725 ( -11.789 -8.448 -2.894) 14.789 6.239 ( 6.307 -6.314 -13.109) 15.858 6.459 ( -3.264 1.037 -13.608) 14.032 7.740 ( -15.507 -12.780 -3.105) 20.333 8.025 ( 0.819 -7.073 -7.225) 10.144 8.117 ( -0.456 -11.672 -9.193) 14.864 8.250 ( 4.570 -1.997 2.093) 5.409 8.799 ( -1.659 6.890 3.672) 7.981 9.274 ( -2.071 -1.368 -13.512) 13.738 12.917 ( 1.000 -1.133 10.449) 10.558 13.073 ( 5.030 2.946 9.774) 11.380 13.173 ( 6.958 12.756 9.891) 17.577 13.729 ( 0.931 4.203 2.688) 5.075 13.907 ( 5.773 5.654 5.673) 9.874 14.556 ( -1.114 -3.844 1.088) 4.148 16.253 ( -5.620 -8.581 2.469) 10.551 16.422 ( -5.484 -1.840 2.436) 6.277 16.599 ( 0.589 2.148 -3.923) 4.511 16.981 ( 1.703 2.610 -4.218) 5.244 17.072 ( 0.314 6.211 -0.691) 6.258 17.193 ( -1.054 1.077 -9.453) 9.572 17.240 ( -0.402 0.453 3.801) 3.849 17.533 ( 2.124 0.228 0.857) 2.301 17.645 ( 1.881 3.238 2.391) 4.442 18.357 ( -2.098 -12.828 -7.669) 15.092 18.439 ( -2.132 -3.720 1.545) 4.558 18.587 ( -5.418 -0.440 -9.123) 10.619 ======================= Grid point 177 (57/189) ======================= q-point: ( 0.33 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.987 ( 24.187 22.213 13.054) 35.339 2.595 ( 19.732 17.013 29.924) 39.677 4.346 ( 24.144 31.507 30.822) 50.256 5.400 ( -14.568 -8.373 -4.051) 17.284 6.185 ( -0.442 -6.389 -9.688) 11.614 6.307 ( -2.315 -2.089 -13.516) 13.871 7.320 ( -16.796 -13.509 -2.173) 21.663 7.884 ( 0.750 -10.421 -14.104) 17.552 8.011 ( 4.590 -8.314 -6.034) 11.252 8.314 ( 2.098 -0.622 4.245) 4.776 8.788 ( -7.234 3.257 1.192) 8.023 9.135 ( -4.846 -1.175 -11.017) 12.093 13.014 ( 4.062 0.167 10.090) 10.878 13.257 ( 6.855 1.957 10.740) 12.890 13.499 ( 11.786 11.489 6.179) 17.581 13.823 ( 3.898 4.521 0.878) 6.034 14.085 ( 6.250 4.437 4.263) 8.771 14.505 ( -1.115 -3.569 0.656) 3.796 16.075 ( -9.409 -6.416 3.812) 12.009 16.309 ( -7.418 -1.842 1.737) 7.838 16.596 ( -0.281 1.772 -4.154) 4.525 17.011 ( 2.008 1.710 -3.357) 4.270 17.117 ( -1.944 1.216 -8.037) 8.358 17.125 ( -1.005 5.459 -2.178) 5.963 17.262 ( -1.652 2.167 4.318) 5.106 17.603 ( 4.634 1.613 1.149) 5.039 17.729 ( 2.784 3.213 2.006) 4.701 18.118 ( -6.144 -14.260 -5.363) 16.427 18.377 ( -2.939 -3.580 2.982) 5.509 18.421 ( -6.991 -0.606 -8.292) 10.863 ======================= Grid point 178 (58/189) ======================= q-point: ( 0.42 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.699 ( 28.153 23.772 6.806) 37.470 3.266 ( 21.628 17.152 25.209) 37.382 5.011 ( -0.920 1.107 5.201) 5.396 5.119 ( -0.116 8.386 7.172) 11.035 5.979 ( -6.344 -4.413 -5.337) 9.392 6.220 ( 2.037 -2.139 -13.752) 14.065 6.967 ( -10.433 -10.163 -0.425) 14.571 7.726 ( 5.340 -11.767 -18.608) 22.654 8.021 ( 7.826 -7.396 0.523) 10.780 8.339 ( -4.346 1.870 4.348) 6.426 8.668 ( -8.711 0.010 1.004) 8.769 8.945 ( -9.385 -1.474 -9.108) 13.161 13.176 ( 7.637 1.581 8.992) 11.903 13.445 ( 6.495 1.568 7.804) 10.274 13.804 ( 11.224 6.095 1.648) 12.878 13.936 ( 4.856 3.635 -1.255) 6.194 14.237 ( 5.763 2.269 2.539) 6.694 14.472 ( -0.437 -1.042 0.519) 1.244 15.892 ( -9.025 -3.754 4.119) 10.607 16.176 ( -7.890 -1.638 2.049) 8.314 16.579 ( -0.427 1.413 -3.518) 3.815 17.016 ( -2.870 -0.154 -6.364) 6.983 17.039 ( 0.893 0.490 -4.116) 4.240 17.141 ( -2.937 3.840 1.377) 5.027 17.281 ( -2.333 4.423 3.166) 5.919 17.713 ( 4.708 1.048 0.486) 4.848 17.769 ( -4.389 -1.968 -1.010) 4.915 17.892 ( -0.989 -5.465 1.047) 5.651 18.268 ( -5.651 -0.501 -5.512) 7.909 18.313 ( -3.220 -3.718 3.707) 6.159 ======================= Grid point 179 (59/189) ======================= q-point: ( 0.50 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.407 ( 27.519 21.424 5.027) 35.236 3.886 ( 17.213 15.192 18.344) 29.387 4.751 ( -10.460 -9.997 0.965) 14.502 5.096 ( -19.436 -2.469 -2.142) 19.709 6.037 ( 10.046 4.871 -1.334) 11.244 6.150 ( 1.974 -0.128 -15.156) 15.285 6.830 ( 1.920 -2.181 1.340) 3.199 7.621 ( 9.560 -12.939 -18.114) 24.226 8.077 ( -7.831 -7.616 5.528) 12.243 8.218 ( -2.336 -0.547 2.230) 3.275 8.591 ( -1.638 -0.262 4.430) 4.731 8.733 ( -9.701 2.394 -6.085) 11.699 13.387 ( 9.608 1.776 6.953) 11.992 13.566 ( 2.676 0.578 2.297) 3.574 13.956 ( 4.659 -0.482 -6.263) 7.821 14.036 ( 5.123 2.444 -0.253) 5.682 14.333 ( 3.889 -1.261 0.590) 4.131 14.468 ( -1.641 1.929 0.210) 2.541 15.796 ( -2.590 0.117 3.329) 4.219 16.055 ( -6.915 -1.111 2.681) 7.499 16.583 ( 1.599 1.087 -0.674) 2.047 16.908 ( -4.980 -1.156 -2.423) 5.658 17.043 ( 1.057 -0.568 -1.615) 2.012 17.133 ( -2.776 3.270 1.403) 4.513 17.307 ( -2.642 5.252 3.148) 6.669 17.541 ( -9.843 -5.691 1.630) 11.486 17.840 ( 5.503 1.981 -0.458) 5.866 17.948 ( 3.365 2.682 1.539) 4.570 18.158 ( -4.272 -0.971 -2.800) 5.200 18.241 ( -4.066 -4.233 3.849) 7.019 ======================= Grid point 180 (60/189) ======================= q-point: ( 0.58 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.037 ( 22.501 15.249 4.861) 27.613 4.114 ( -8.965 -3.298 2.624) 9.906 4.521 ( -20.797 -6.476 -2.894) 21.973 4.827 ( 3.295 6.520 11.152) 13.332 6.132 ( 5.976 2.375 -13.077) 14.572 6.174 ( 6.891 0.848 -5.651) 8.952 6.988 ( 13.600 5.156 -4.247) 15.152 7.447 ( -20.711 -16.373 -3.732) 26.664 7.718 ( -0.257 -6.621 -13.834) 15.339 8.396 ( 12.585 -5.914 13.208) 19.178 8.562 ( -7.382 5.105 -2.531) 9.325 8.688 ( 0.839 5.703 5.806) 8.181 13.515 ( 0.043 -3.237 -1.930) 3.769 13.606 ( 1.407 1.098 3.151) 3.622 13.905 ( 0.503 -2.875 -10.233) 10.641 14.133 ( 4.361 0.971 -1.311) 4.656 14.339 ( -0.538 -1.967 -2.355) 3.115 14.448 ( -2.776 1.349 0.857) 3.203 15.840 ( 3.150 1.338 3.136) 4.642 15.956 ( -6.632 0.318 1.808) 6.882 16.668 ( 8.154 1.032 0.935) 8.272 16.829 ( -3.627 -1.083 5.044) 6.307 17.052 ( 1.841 -0.744 -0.458) 2.038 17.139 ( -1.878 4.191 2.551) 5.253 17.322 ( -2.731 2.424 2.890) 4.657 17.408 ( -6.472 1.907 5.769) 8.877 17.924 ( 3.877 0.623 -2.735) 4.785 18.034 ( 1.909 2.117 -0.453) 2.887 18.075 ( -2.082 -0.258 0.105) 2.101 18.143 ( -5.281 -4.820 3.510) 7.966 ======================= Grid point 181 (61/189) ======================= q-point: (-0.33 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.675 ( -23.396 -18.340 -4.912) 30.131 3.995 ( -32.267 -2.096 -2.121) 32.404 4.560 ( 19.325 11.115 5.541) 22.971 5.214 ( 15.802 11.929 12.124) 23.217 6.209 ( 8.898 -1.047 -7.841) 11.906 6.309 ( 10.584 8.005 -6.848) 14.933 6.693 ( -42.720 -17.381 -0.257) 46.121 7.235 ( 16.112 3.938 -11.435) 20.146 7.760 ( 16.282 -5.308 -13.345) 21.711 8.477 ( -7.268 6.147 -1.163) 9.590 8.586 ( 7.058 -6.889 13.827) 16.984 8.870 ( 7.683 7.737 7.228) 13.082 13.390 ( -7.179 -4.142 -2.961) 8.801 13.487 ( -10.552 -4.592 -7.938) 13.980 13.934 ( 6.868 -0.063 -1.688) 7.073 14.124 ( -2.204 -3.198 -5.458) 6.699 14.298 ( -2.073 1.375 -1.877) 3.116 14.412 ( -2.542 -0.309 -0.033) 2.560 15.822 ( -6.466 -0.488 1.559) 6.669 15.973 ( 4.185 2.123 4.589) 6.564 16.803 ( 0.518 -1.568 7.373) 7.555 16.916 ( 14.647 4.191 -0.976) 15.266 17.079 ( 2.676 -1.589 0.053) 3.112 17.188 ( -0.813 5.370 5.671) 7.853 17.305 ( -3.001 0.576 4.459) 5.405 17.417 ( -2.524 5.516 6.917) 9.200 17.907 ( -2.151 -3.048 -4.629) 5.945 17.982 ( -3.790 -5.115 0.329) 6.375 18.041 ( -1.459 -0.760 0.380) 1.689 18.170 ( 4.740 4.713 1.935) 6.958 ======================= Grid point 182 (62/189) ======================= q-point: (-0.25 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.032 ( -29.451 -17.974 -4.082) 34.743 3.405 ( -35.162 -2.988 -4.024) 35.517 4.962 ( 16.273 6.251 5.434) 18.259 5.514 ( -20.272 -5.855 10.371) 23.512 5.840 ( -15.001 -0.847 -5.119) 15.873 6.339 ( 9.891 -1.470 -3.536) 10.606 6.616 ( 15.657 10.999 0.185) 19.135 7.442 ( 16.344 -0.029 -13.029) 20.901 7.935 ( 16.475 -0.092 -11.671) 20.190 8.418 ( -6.252 5.833 -1.080) 8.618 8.688 ( 3.104 -5.118 12.331) 13.707 9.115 ( 9.109 4.921 5.333) 11.647 13.188 ( -10.544 -4.147 -6.954) 13.294 13.212 ( -10.703 -3.224 -2.503) 11.455 13.914 ( -6.276 -6.201 -4.128) 9.740 14.070 ( 0.956 1.217 -0.570) 1.649 14.225 ( -5.563 -1.335 -2.702) 6.327 14.367 ( -2.335 0.775 -1.339) 2.802 15.762 ( -1.421 0.872 2.534) 3.033 16.096 ( 4.856 1.164 5.426) 7.374 16.825 ( -0.985 -1.216 6.183) 6.378 17.094 ( 1.082 -1.954 -0.352) 2.261 17.174 ( 4.193 4.336 1.842) 6.306 17.276 ( 0.010 1.355 1.325) 1.895 17.325 ( 9.244 5.392 -0.262) 10.705 17.508 ( 2.716 3.068 10.242) 11.032 17.793 ( -3.425 -3.800 -3.977) 6.479 17.845 ( -6.017 -5.541 1.418) 8.302 18.057 ( 2.906 0.574 -1.800) 3.466 18.325 ( 7.128 5.015 1.785) 8.896 ======================= Grid point 183 (63/189) ======================= q-point: (-0.17 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.361 ( -32.029 -14.499 0.481) 35.161 2.740 ( -38.879 -2.531 -7.155) 39.613 4.593 ( -57.099 -18.727 8.876) 60.744 5.287 ( 14.979 2.979 3.714) 15.717 6.063 ( 12.670 8.907 -1.416) 15.552 6.476 ( 9.709 -0.747 -2.416) 10.033 7.029 ( 20.237 10.741 3.776) 23.220 7.624 ( 15.799 -1.498 -10.143) 18.834 8.124 ( 12.525 4.068 -12.439) 18.115 8.366 ( -4.939 4.422 -2.094) 6.953 8.742 ( 0.512 -4.835 10.985) 12.013 9.304 ( 7.443 2.291 1.164) 7.873 12.951 ( -8.780 -1.370 -5.924) 10.680 13.035 ( -8.849 -2.345 3.459) 9.786 13.673 ( -13.353 -5.048 -2.786) 14.545 14.028 ( -6.837 -1.721 1.019) 7.123 14.077 ( -7.993 -1.517 -2.331) 8.463 14.372 ( 2.703 1.833 -0.993) 3.414 15.829 ( 5.592 1.539 3.109) 6.580 16.211 ( 4.753 0.419 4.047) 6.257 16.817 ( -1.721 -1.581 2.377) 3.334 17.063 ( -2.263 -2.034 0.645) 3.110 17.193 ( -3.943 0.539 3.254) 5.141 17.254 ( -2.962 -0.266 2.169) 3.681 17.503 ( 3.530 3.216 -3.533) 5.941 17.629 ( -0.980 0.215 -4.221) 4.339 17.721 ( -4.776 -3.499 2.052) 6.266 17.818 ( 16.477 1.570 3.298) 16.877 18.131 ( 5.710 1.707 -0.004) 5.960 18.505 ( 8.476 3.575 0.668) 9.223 ======================= Grid point 184 (64/189) ======================= q-point: (-0.08 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.737 ( -33.278 -8.449 5.316) 34.743 2.018 ( -42.298 1.171 -6.631) 42.830 3.562 ( -59.378 -15.067 21.401) 64.891 5.554 ( 14.137 0.089 1.051) 14.176 6.296 ( 9.868 6.284 -5.327) 12.855 6.592 ( 6.796 -1.149 -2.551) 7.350 7.477 ( 22.231 3.148 2.682) 22.613 7.822 ( 13.387 3.124 -4.262) 14.393 8.254 ( 7.178 5.976 -13.730) 16.606 8.313 ( -3.562 2.327 -2.784) 5.085 8.743 ( -2.044 -5.439 9.596) 11.218 9.418 ( 5.840 0.492 -3.322) 6.737 12.816 ( -4.895 0.485 -0.823) 4.987 12.925 ( -6.525 -0.774 6.799) 9.455 13.364 ( -18.317 -3.003 0.428) 18.567 13.863 ( -8.645 -3.388 -0.753) 9.316 13.938 ( -8.329 0.860 1.091) 8.444 14.450 ( 4.380 1.575 0.258) 4.662 15.990 ( 9.663 1.238 3.215) 10.259 16.307 ( 4.591 -0.522 2.547) 5.276 16.761 ( -2.951 -2.393 -1.995) 4.291 17.018 ( -2.675 -0.497 3.950) 4.796 17.123 ( -4.358 -1.753 -0.053) 4.698 17.205 ( -3.257 -1.113 0.856) 3.547 17.502 ( -0.736 -0.864 -5.251) 5.372 17.564 ( -2.657 0.855 -3.090) 4.164 17.647 ( -3.711 -1.049 2.593) 4.647 18.172 ( 19.493 3.933 -1.374) 19.934 18.263 ( 6.913 1.672 2.025) 7.395 18.658 ( 7.808 0.737 -2.125) 8.125 ======================= Grid point 188 (65/189) ======================= q-point: ( 0.25 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.595 ( -0.000 15.200 32.666) 36.029 2.223 ( -0.000 18.143 33.920) 38.468 3.896 ( -0.000 43.555 35.729) 56.335 5.765 ( 0.000 -8.417 0.685) 8.445 6.007 ( 0.000 -6.007 -16.166) 17.246 6.391 ( 0.000 -1.294 -17.221) 17.269 7.740 ( 0.000 -14.983 -7.044) 16.557 7.863 ( 0.000 -14.189 -2.391) 14.389 7.926 ( 0.000 -16.677 -11.498) 20.257 8.195 ( -0.000 0.706 2.199) 2.309 8.916 ( -0.000 8.249 3.412) 8.927 9.200 ( 0.000 0.278 -14.008) 14.011 12.953 ( -0.000 -2.738 11.128) 11.460 13.105 ( -0.000 2.873 7.001) 7.568 13.315 ( -0.000 13.187 12.454) 18.138 13.774 ( -0.000 3.315 1.673) 3.713 13.953 ( -0.000 6.328 6.078) 8.774 14.523 ( 0.000 -5.463 0.369) 5.475 16.242 ( -0.000 -6.883 3.893) 7.908 16.474 ( -0.000 -2.274 3.788) 4.418 16.590 ( 0.000 3.653 -5.288) 6.427 16.970 ( 0.000 4.835 -6.574) 8.160 17.141 ( -0.000 7.685 1.047) 7.756 17.163 ( 0.000 4.802 -13.297) 14.138 17.276 ( -0.000 -1.444 8.912) 9.028 17.521 ( -0.000 0.170 1.448) 1.458 17.679 ( -0.000 4.034 2.349) 4.668 18.197 ( 0.000 -13.714 -7.959) 15.856 18.428 ( -0.000 -3.848 1.225) 4.038 18.562 ( 0.000 -2.178 -9.252) 9.505 ======================= Grid point 189 (66/189) ======================= q-point: ( 0.33 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.038 ( 10.271 22.528 25.325) 35.417 2.691 ( 11.046 18.663 31.189) 37.988 4.566 ( 10.564 35.884 27.032) 46.152 5.535 ( -13.627 -7.638 -2.767) 15.865 5.983 ( 8.908 -5.033 -10.521) 14.675 6.231 ( -2.613 -4.476 -18.824) 19.524 7.398 ( -13.022 -17.885 -5.753) 22.860 7.670 ( -0.928 -17.348 -13.701) 22.126 7.791 ( 6.598 -14.349 -2.156) 15.940 8.269 ( 4.303 1.469 3.099) 5.503 8.951 ( -6.050 6.006 0.468) 8.538 9.124 ( -1.436 1.746 -10.698) 10.934 13.010 ( 2.434 -2.825 10.795) 11.421 13.212 ( 5.545 1.138 6.360) 8.514 13.540 ( 3.883 11.380 10.716) 16.106 13.822 ( 1.587 3.170 0.378) 3.565 14.070 ( 3.560 4.562 3.924) 6.992 14.471 ( 0.173 -5.292 0.021) 5.295 16.172 ( -5.419 -4.806 5.683) 9.207 16.424 ( -5.943 -0.664 2.482) 6.475 16.598 ( -0.073 3.231 -4.691) 5.696 16.983 ( 1.014 4.569 -7.379) 8.738 17.115 ( -2.086 4.116 -10.351) 11.333 17.214 ( -1.123 6.871 2.253) 7.318 17.325 ( 0.115 1.391 6.690) 6.834 17.560 ( 2.900 0.973 1.855) 3.577 17.745 ( 1.286 4.709 2.255) 5.377 18.011 ( -1.962 -13.192 -5.848) 14.563 18.387 ( -1.239 -4.098 1.515) 4.541 18.451 ( -3.910 -2.076 -8.163) 9.286 ======================= Grid point 190 (67/189) ======================= q-point: ( 0.42 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.628 ( 17.612 25.800 16.692) 35.418 3.278 ( 16.764 18.586 27.608) 37.265 5.125 ( -0.260 11.950 9.516) 15.278 5.253 ( -4.585 4.072 3.167) 6.902 5.963 ( -1.977 -4.921 -10.312) 11.595 6.057 ( 3.545 -3.515 -15.454) 16.241 6.999 ( -10.453 -16.073 -4.813) 19.768 7.414 ( 1.893 -17.558 -17.367) 24.768 7.796 ( 9.866 -13.206 3.770) 16.910 8.375 ( 3.413 2.811 3.469) 5.620 8.852 ( -10.864 3.703 -1.684) 11.601 9.024 ( -6.441 1.265 -7.573) 10.022 13.117 ( 6.029 -2.069 9.590) 11.515 13.368 ( 8.084 -0.155 5.230) 9.630 13.755 ( 4.987 6.583 6.038) 10.230 13.888 ( 3.492 2.486 -1.457) 4.527 14.183 ( 4.365 1.580 1.365) 4.839 14.448 ( 1.759 -2.210 0.401) 2.853 16.046 ( -9.523 -3.108 6.437) 11.907 16.316 ( -8.320 0.335 1.652) 8.489 16.587 ( -0.942 2.444 -4.029) 4.805 16.996 ( 1.422 2.687 -6.363) 7.052 17.052 ( -3.480 2.931 -6.597) 8.014 17.248 ( -3.274 4.595 2.865) 6.327 17.381 ( -1.074 5.232 3.897) 6.611 17.648 ( 4.833 1.279 1.193) 5.140 17.808 ( -3.885 -3.693 -1.706) 5.625 17.847 ( 1.732 -1.600 1.517) 2.804 18.317 ( -4.629 -1.258 -5.336) 7.176 18.336 ( -2.153 -4.093 2.054) 5.060 ======================= Grid point 191 (68/189) ======================= q-point: ( 0.50 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.268 ( 21.016 24.340 10.488) 33.825 3.889 ( 16.996 17.994 22.931) 33.741 4.863 ( -14.639 -9.692 0.134) 17.557 5.362 ( -12.082 3.877 -0.224) 12.690 5.910 ( 7.230 1.623 -5.272) 9.094 6.017 ( 2.748 0.091 -15.063) 15.312 6.754 ( -0.148 -9.110 -4.275) 10.064 7.217 ( 7.811 -16.856 -18.408) 26.154 7.918 ( 13.268 -11.099 11.409) 20.722 8.435 ( -7.161 3.918 2.137) 8.438 8.652 ( -9.787 -2.376 0.065) 10.072 8.876 ( -8.236 4.254 -6.544) 11.347 13.277 ( 8.964 -1.653 7.314) 11.687 13.513 ( 6.359 -0.338 3.063) 7.066 13.857 ( 2.409 -0.375 -3.675) 4.410 13.977 ( 4.806 2.747 0.528) 5.561 14.255 ( 4.063 -1.207 -0.408) 4.258 14.484 ( 1.954 1.074 0.243) 2.243 15.909 ( -8.290 -0.806 5.550) 10.008 16.191 ( -8.192 0.300 1.967) 8.430 16.574 ( -0.370 1.030 -2.273) 2.523 16.978 ( -4.748 1.157 -1.293) 5.055 17.002 ( 1.425 0.779 -4.898) 5.160 17.243 ( -4.038 4.756 2.683) 6.791 17.425 ( -2.815 6.197 1.968) 7.085 17.636 ( -5.705 -4.127 1.604) 7.222 17.767 ( 4.932 1.470 -0.398) 5.162 17.936 ( 2.923 3.870 1.996) 5.245 18.206 ( -4.624 -0.743 -2.927) 5.523 18.274 ( -2.632 -4.873 3.098) 6.346 ======================= Grid point 192 (69/189) ======================= q-point: ( 0.58 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.870 ( 20.660 18.766 6.197) 28.590 4.280 ( -7.672 2.935 6.338) 10.375 4.644 ( 1.929 0.190 10.244) 10.426 5.072 ( -20.446 0.859 1.856) 20.548 5.983 ( 4.386 0.617 -13.494) 14.202 6.011 ( 7.896 0.181 -8.345) 11.490 6.775 ( 10.820 -0.918 -7.289) 13.078 7.146 ( 13.715 -13.674 -15.711) 24.938 7.994 ( -21.894 -7.055 3.654) 23.291 8.213 ( 6.335 -8.066 10.365) 14.582 8.655 ( 2.067 3.623 1.676) 4.496 8.775 ( -5.745 5.661 -2.505) 8.446 13.427 ( 6.499 -2.938 2.099) 7.435 13.608 ( 3.195 1.025 3.704) 4.998 13.809 ( -0.483 -3.480 -8.991) 9.653 14.064 ( 3.587 0.997 -2.062) 4.256 14.294 ( 2.717 -1.020 -0.900) 3.039 14.502 ( -1.303 0.948 -0.302) 1.640 15.859 ( -1.687 1.186 5.086) 5.488 16.089 ( -6.947 1.096 2.333) 7.409 16.570 ( 2.578 -1.746 -1.813) 3.603 16.916 ( -4.133 -0.214 4.144) 5.856 17.002 ( 1.634 -0.728 -2.965) 3.463 17.257 ( -3.041 6.827 3.968) 8.461 17.420 ( -4.104 3.781 1.013) 5.672 17.564 ( -4.855 2.296 5.381) 7.602 17.848 ( 3.974 1.052 -2.806) 4.977 18.024 ( 2.365 2.917 0.045) 3.756 18.115 ( -3.678 -1.143 0.133) 3.853 18.190 ( -3.976 -5.403 3.085) 7.384 ======================= Grid point 193 (70/189) ======================= q-point: (-0.33 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.889 ( -22.615 -11.473 -2.580) 25.489 4.385 ( 17.611 10.367 5.866) 21.261 4.505 ( -29.482 2.406 0.267) 29.581 5.160 ( 13.847 11.070 13.286) 22.154 5.997 ( 7.684 -3.613 -9.327) 12.613 6.156 ( 11.913 8.015 -7.045) 15.993 6.916 ( 13.110 -3.000 -11.888) 17.950 7.131 ( -8.606 -7.227 -6.859) 13.166 7.471 ( -12.027 -6.274 -4.848) 14.405 8.419 ( 13.002 -9.407 12.958) 20.626 8.648 ( -6.809 5.979 -1.879) 9.255 8.847 ( 6.284 4.308 3.972) 8.591 13.425 ( -2.559 -2.817 -1.928) 4.267 13.577 ( -8.943 -2.184 -4.905) 10.431 13.801 ( 7.871 -0.389 -1.012) 7.946 14.076 ( 0.692 -1.571 -4.994) 5.281 14.320 ( 0.624 1.766 -1.040) 2.142 14.460 ( -3.455 -0.444 -0.168) 3.487 15.917 ( 0.945 1.029 6.398) 6.549 15.997 ( -5.966 1.513 0.375) 6.167 16.648 ( 11.340 -2.013 -1.262) 11.586 16.891 ( -1.623 -1.072 4.946) 5.315 17.016 ( 2.508 -1.044 -0.154) 2.721 17.316 ( -2.443 7.657 5.521) 9.751 17.402 ( -3.443 3.118 3.750) 5.970 17.554 ( -3.732 3.078 4.426) 6.557 17.863 ( 0.501 -1.660 -4.719) 5.027 17.993 ( -3.484 -3.124 -0.599) 4.718 18.087 ( -4.388 -3.314 1.717) 5.761 18.150 ( 3.757 2.747 2.105) 5.108 ======================= Grid point 194 (71/189) ======================= q-point: (-0.25 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.358 ( -27.981 -9.966 -0.118) 29.703 3.961 ( -35.667 0.247 -1.795) 35.713 4.767 ( 16.520 4.494 2.786) 17.345 5.562 ( 12.669 8.594 9.472) 18.002 6.052 ( 7.456 -3.190 -8.756) 11.935 6.374 ( -17.249 1.110 -5.426) 18.117 6.518 ( -8.609 1.145 4.575) 9.816 7.093 ( 15.026 -2.434 -9.379) 17.879 7.583 ( 18.725 2.032 -9.957) 21.305 8.551 ( -0.822 -0.572 0.762) 1.258 8.605 ( 3.068 -3.388 6.931) 8.302 9.032 ( 8.653 2.396 3.523) 9.645 13.290 ( -9.276 -1.868 -4.523) 10.487 13.357 ( -10.664 -0.227 -2.653) 10.991 13.897 ( 2.046 -2.457 -0.024) 3.197 14.035 ( 1.147 0.335 -3.590) 3.784 14.301 ( -4.734 1.740 -2.627) 5.687 14.408 ( -1.980 -0.145 0.440) 2.034 15.854 ( -7.090 0.736 1.593) 7.304 16.050 ( 4.944 -0.913 5.621) 7.541 16.819 ( 5.608 -2.410 -0.331) 6.113 16.954 ( 12.276 1.830 -1.288) 12.479 17.062 ( 3.615 -0.904 3.194) 4.907 17.346 ( -3.986 4.074 2.672) 6.295 17.408 ( -4.180 2.313 5.923) 7.610 17.558 ( -0.233 0.798 3.724) 3.816 17.788 ( -2.961 -2.641 -3.745) 5.456 17.885 ( -4.683 -5.598 1.798) 7.517 18.034 ( -0.502 0.134 -0.053) 0.522 18.267 ( 5.824 3.008 0.727) 6.596 ======================= Grid point 195 (72/189) ======================= q-point: (-0.17 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.812 ( -31.621 -4.501 4.621) 32.272 3.344 ( -38.580 1.488 -3.643) 38.780 5.054 ( 15.276 -0.650 0.456) 15.296 5.394 ( -46.430 -9.248 5.392) 47.648 5.962 ( 7.022 6.513 0.513) 9.591 6.258 ( 11.779 -1.077 -2.648) 12.121 6.817 ( 17.102 5.480 0.770) 17.975 7.308 ( 16.704 2.879 -4.235) 17.471 7.859 ( 16.807 6.437 -11.395) 21.302 8.478 ( -5.956 2.312 -2.428) 6.835 8.688 ( 5.608 -7.560 7.501) 12.037 9.191 ( 8.002 -0.492 0.038) 8.017 13.080 ( -10.702 1.218 -4.520) 11.681 13.203 ( -9.769 0.742 3.990) 10.579 13.807 ( -7.948 -0.818 -1.256) 8.088 14.071 ( 0.716 0.121 -1.286) 1.477 14.192 ( -7.216 0.904 -1.282) 7.385 14.382 ( -2.004 1.350 0.388) 2.447 15.802 ( -0.190 -0.582 2.546) 2.619 16.147 ( 5.035 -2.358 4.204) 6.970 16.813 ( 0.084 -3.271 -1.671) 3.674 17.066 ( 1.307 -0.774 0.802) 1.718 17.250 ( 5.297 1.055 -0.413) 5.417 17.314 ( -2.907 0.458 0.517) 2.988 17.386 ( 4.845 1.495 -1.916) 5.421 17.607 ( 3.551 -1.202 5.037) 6.280 17.695 ( -2.739 -1.890 -2.552) 4.193 17.785 ( -4.285 -2.810 3.664) 6.299 18.072 ( 3.706 1.278 1.581) 4.227 18.397 ( 7.354 1.201 -0.843) 7.499 ======================= Grid point 196 (73/189) ======================= q-point: (-0.08 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.317 ( -33.424 3.905 9.252) 34.900 2.701 ( -40.624 4.511 -2.472) 40.948 4.529 ( -54.429 -3.683 15.330) 56.667 5.287 ( 15.319 -4.123 -1.491) 15.934 6.150 ( 11.051 0.999 -2.009) 11.277 6.423 ( 9.364 0.839 -4.538) 10.440 7.116 ( 19.604 -4.761 -1.771) 20.251 7.642 ( 15.815 10.842 2.347) 19.317 8.088 ( 11.362 8.581 -13.643) 19.720 8.382 ( -5.189 0.204 -2.836) 5.917 8.724 ( 2.687 -8.164 6.779) 10.947 9.282 ( 6.786 -2.568 -4.412) 8.492 12.934 ( -7.845 3.112 -0.006) 8.439 13.100 ( -8.664 1.854 7.952) 11.905 13.635 ( -13.918 2.635 0.707) 14.183 13.979 ( -8.393 -0.617 -2.504) 8.781 14.097 ( -7.349 1.958 2.316) 7.950 14.405 ( 2.653 1.457 1.161) 3.242 15.866 ( 6.863 -1.981 3.180) 7.819 16.221 ( 5.199 -3.413 2.170) 6.587 16.754 ( -1.446 -3.014 -3.940) 5.167 17.070 ( -0.947 -0.226 2.764) 2.931 17.171 ( -4.749 -3.318 -1.886) 6.092 17.255 ( -3.584 -1.819 0.598) 4.064 17.448 ( 0.944 -1.862 -8.226) 8.487 17.624 ( -3.927 3.174 -0.820) 5.116 17.724 ( -3.866 0.466 3.293) 5.100 17.853 ( 20.422 -0.602 1.737) 20.505 18.184 ( 6.121 0.801 3.806) 7.252 18.507 ( 7.676 -1.845 -3.398) 8.595 ======================= Grid point 201 (74/189) ======================= q-point: ( 0.33 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.343 ( -0.000 23.533 28.640) 37.068 2.970 ( -0.000 19.787 30.343) 36.225 4.951 ( -0.000 32.314 18.073) 37.024 5.636 ( -0.000 -7.844 3.563) 8.616 5.737 ( 0.000 -2.810 -13.783) 14.066 6.075 ( 0.000 -5.538 -23.077) 23.733 7.296 ( 0.000 -20.499 -9.204) 22.471 7.427 ( 0.000 -19.060 -14.992) 24.249 7.538 ( -0.000 -20.280 3.438) 20.569 8.286 ( -0.000 4.703 4.207) 6.310 9.076 ( -0.000 5.499 1.624) 5.733 9.089 ( 0.000 4.210 -11.154) 11.922 13.018 ( -0.000 -4.500 10.558) 11.477 13.205 ( -0.000 0.589 4.597) 4.634 13.677 ( -0.000 8.838 10.828) 13.977 13.831 ( 0.000 1.775 -0.503) 1.845 14.100 ( -0.000 3.371 2.166) 4.007 14.413 ( 0.000 -5.475 -0.127) 5.476 16.225 ( -0.000 -2.479 7.826) 8.210 16.494 ( -0.000 0.043 3.637) 3.637 16.600 ( 0.000 4.301 -6.291) 7.621 16.968 ( 0.000 5.192 -10.822) 12.003 17.119 ( 0.000 4.511 -8.443) 9.573 17.301 ( -0.000 6.543 2.040) 6.853 17.378 ( -0.000 1.275 8.389) 8.485 17.557 ( -0.000 0.878 2.392) 2.548 17.801 ( -0.000 6.132 2.082) 6.476 17.884 ( 0.000 -10.022 -4.440) 10.961 18.363 ( -0.000 -4.474 0.846) 4.553 18.414 ( 0.000 -2.203 -7.052) 7.388 ======================= Grid point 202 (75/189) ======================= q-point: ( 0.42 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.795 ( 7.175 24.585 24.456) 35.412 3.411 ( 9.213 19.294 27.980) 35.214 5.332 ( 2.790 21.434 6.314) 22.518 5.381 ( -12.975 -5.386 -1.951) 14.183 5.816 ( 9.635 -1.715 -5.090) 11.031 5.876 ( -0.484 -4.018 -22.848) 23.203 6.953 ( -9.147 -19.753 -6.861) 22.823 7.130 ( -0.910 -20.440 -15.661) 25.766 7.491 ( 11.617 -19.559 6.454) 23.646 8.384 ( 2.345 5.495 4.263) 7.340 9.026 ( -6.033 6.057 -6.083) 10.492 9.093 ( -4.226 2.667 -2.555) 5.613 13.062 ( 3.562 -4.693 9.437) 11.125 13.277 ( 5.247 -0.202 3.845) 6.509 13.802 ( 0.900 3.676 4.105) 5.584 13.861 ( 1.825 2.118 2.239) 3.582 14.146 ( 2.062 0.911 -0.013) 2.254 14.387 ( 2.326 -3.289 0.200) 4.033 16.208 ( -6.519 -1.190 9.187) 11.328 16.460 ( -6.704 1.722 1.075) 7.005 16.598 ( -0.291 2.705 -4.884) 5.591 16.952 ( 1.382 3.634 -11.115) 11.775 17.100 ( -2.293 3.817 -4.541) 6.360 17.355 ( -1.966 5.155 2.123) 5.911 17.453 ( 0.861 3.755 6.184) 7.286 17.602 ( 2.799 0.612 1.772) 3.369 17.773 ( -1.661 -6.066 -2.332) 6.708 17.878 ( 0.685 6.231 1.563) 6.461 18.316 ( -0.966 -4.576 0.303) 4.687 18.343 ( -2.181 -1.257 -3.712) 4.485 ======================= Grid point 203 (76/189) ======================= q-point: ( 0.50 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.309 ( 12.090 22.934 17.361) 31.201 3.944 ( 14.468 17.690 24.563) 33.550 5.044 ( -17.159 -7.903 -0.820) 18.909 5.519 ( -1.465 8.169 -6.588) 10.596 5.770 ( 4.118 0.755 -11.750) 12.474 5.898 ( 3.652 2.124 -8.157) 9.186 6.632 ( -3.437 -14.573 -5.824) 16.066 6.853 ( 2.981 -19.408 -16.183) 25.445 7.613 ( 16.877 -16.301 12.209) 26.450 8.502 ( 2.590 5.439 3.481) 6.958 8.881 ( -15.538 1.249 -1.711) 15.682 8.997 ( -6.125 4.504 -5.901) 9.624 13.160 ( 7.160 -4.220 7.495) 11.191 13.403 ( 7.680 -0.592 2.861) 8.217 13.818 ( 0.178 -0.582 -3.081) 3.140 13.950 ( 2.833 2.283 3.806) 5.265 14.182 ( 2.952 -0.920 -0.803) 3.194 14.429 ( 4.500 -0.872 -0.154) 4.587 16.107 ( -10.780 -0.395 8.523) 13.748 16.340 ( -8.562 0.821 -0.856) 8.643 16.586 ( -1.264 1.712 -2.669) 3.413 16.945 ( 1.849 2.064 -9.841) 10.224 17.065 ( -3.862 2.095 0.844) 4.474 17.369 ( -3.286 5.128 2.421) 6.555 17.530 ( -1.333 5.790 2.333) 6.383 17.652 ( 0.978 -1.627 0.060) 1.900 17.718 ( 1.627 0.211 0.463) 1.704 17.953 ( 1.246 4.498 0.731) 4.725 18.247 ( -2.795 -3.130 -0.400) 4.216 18.282 ( -2.349 -2.255 0.608) 3.313 ======================= Grid point 204 (77/189) ======================= q-point: ( 0.58 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.804 ( 14.426 17.373 9.875) 24.647 4.448 ( 6.068 12.211 14.357) 19.800 4.698 ( -9.171 -6.592 4.775) 12.263 5.415 ( -15.823 4.481 0.404) 16.450 5.800 ( 6.672 -3.667 -8.975) 11.769 5.883 ( 1.978 4.491 -13.816) 14.662 6.538 ( 7.811 -6.395 -7.586) 12.628 6.718 ( 11.605 -12.954 -13.334) 21.915 7.855 ( 18.762 -13.061 14.253) 26.939 8.483 ( -24.331 -0.889 -1.076) 24.371 8.647 ( 1.617 2.021 1.929) 3.228 8.915 ( -6.509 5.788 -4.292) 9.710 13.292 ( 8.325 -3.734 4.520) 10.182 13.539 ( 7.438 -0.121 2.147) 7.742 13.770 ( -2.112 -1.537 -4.448) 5.159 14.017 ( 2.085 0.912 -1.295) 2.618 14.229 ( 3.993 -0.454 0.494) 4.049 14.487 ( 2.976 -0.273 -1.208) 3.224 15.989 ( -8.396 0.530 7.246) 11.103 16.217 ( -6.527 0.037 0.879) 6.586 16.543 ( -2.521 -0.436 -3.011) 3.951 16.923 ( 0.985 0.994 -10.117) 10.214 17.034 ( -3.802 -0.248 7.877) 8.750 17.393 ( -2.416 6.774 3.204) 7.873 17.534 ( -4.230 5.193 -0.451) 6.713 17.640 ( -0.684 -0.945 1.290) 1.739 17.794 ( 3.382 2.957 -0.538) 4.524 18.010 ( 1.959 2.155 -0.553) 2.964 18.166 ( -3.535 -3.729 1.450) 5.338 18.220 ( -3.558 -2.396 1.513) 4.548 ======================= Grid point 205 (78/189) ======================= q-point: (-0.33 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.129 ( -9.611 -0.162 -0.045) 9.613 4.274 ( 2.559 3.123 3.410) 5.285 4.952 ( -6.684 7.921 9.791) 14.258 5.145 ( -4.929 0.276 6.326) 8.024 5.796 ( 5.308 -3.764 -7.719) 10.096 6.001 ( 11.436 10.057 -8.089) 17.244 6.601 ( 11.908 -5.290 -8.317) 15.459 6.840 ( 18.069 -0.610 -9.854) 20.590 7.917 ( -32.832 -3.331 0.733) 33.008 8.140 ( 15.326 -12.682 8.986) 21.828 8.748 ( 2.663 3.186 1.711) 4.491 8.847 ( -3.791 4.089 -1.641) 5.812 13.388 ( 4.027 -2.360 1.407) 4.875 13.654 ( -0.886 -1.563 -7.774) 7.979 13.683 ( 2.172 1.055 5.109) 5.651 14.025 ( 1.029 0.252 -4.495) 4.618 14.300 ( 3.249 0.890 1.269) 3.599 14.491 ( -1.009 -0.333 -1.922) 2.196 15.952 ( -1.579 -0.253 6.907) 7.090 16.130 ( -6.344 0.873 0.377) 6.415 16.497 ( 2.228 -1.973 -1.569) 3.365 16.881 ( 0.631 -0.648 -7.953) 8.004 17.033 ( -2.169 -0.919 9.475) 9.764 17.455 ( -1.504 7.511 4.042) 8.661 17.511 ( -3.798 4.100 1.067) 5.690 17.610 ( -1.281 -2.449 -1.405) 3.100 17.841 ( -0.281 1.914 -0.725) 2.066 18.021 ( -2.542 -1.678 -0.992) 3.203 18.118 ( 1.554 -2.444 2.784) 4.017 18.142 ( -3.903 -1.068 0.551) 4.084 ======================= Grid point 206 (79/189) ======================= q-point: (-0.25 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.742 ( -25.108 -2.839 2.741) 25.417 4.487 ( -12.541 -2.305 0.915) 12.784 4.587 ( -5.901 4.665 -1.623) 7.696 5.413 ( 15.723 -3.810 5.088) 16.960 5.864 ( 7.715 3.811 -2.429) 8.942 6.277 ( 13.787 8.024 -4.592) 16.600 6.732 ( 9.628 1.821 -4.956) 10.981 7.030 ( -3.878 2.609 -4.927) 6.791 7.384 ( -12.918 0.370 0.078) 12.923 8.328 ( 14.625 -11.506 4.253) 19.088 8.722 ( -6.818 3.289 -0.876) 7.620 8.925 ( 7.365 -0.149 1.973) 7.626 13.382 ( -4.145 -0.044 -0.387) 4.164 13.506 ( -8.305 1.808 -4.363) 9.554 13.816 ( 6.430 -0.156 3.790) 7.466 14.013 ( 0.050 1.419 -4.196) 4.430 14.353 ( 0.286 2.485 -0.533) 2.558 14.436 ( -2.798 -1.233 -0.712) 3.139 15.993 ( 0.347 -2.895 2.461) 3.815 16.007 ( -6.267 0.457 2.511) 6.767 16.603 ( 11.768 -0.120 -1.349) 11.845 16.851 ( 2.681 -2.051 -4.074) 5.291 17.058 ( -0.113 -0.718 7.449) 7.485 17.455 ( -4.427 0.950 -0.928) 4.622 17.514 ( -3.989 -0.696 0.751) 4.119 17.565 ( 0.771 0.475 2.210) 2.388 17.819 ( -3.513 1.041 0.142) 3.667 17.929 ( -4.448 -3.436 2.122) 6.008 18.063 ( -2.981 -0.543 -0.183) 3.036 18.194 ( 5.306 0.197 -0.061) 5.310 ======================= Grid point 207 (80/189) ======================= q-point: (-0.17 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.335 ( -28.249 2.701 7.651) 29.391 3.956 ( -35.801 1.440 -1.223) 35.851 4.781 ( 14.941 -2.990 -2.423) 15.429 5.556 ( 10.233 -12.192 -4.435) 16.523 6.065 ( 6.605 9.484 -0.018) 11.557 6.312 ( -23.207 0.617 -3.595) 23.492 6.634 ( 1.036 0.203 4.583) 4.703 7.116 ( 14.580 11.006 4.313) 18.769 7.582 ( 17.679 8.716 -7.400) 21.054 8.443 ( 9.853 -9.774 -0.476) 13.887 8.633 ( -5.096 0.379 0.357) 5.122 9.041 ( 7.608 -3.433 -0.475) 8.361 13.256 ( -10.251 3.230 -2.243) 10.979 13.399 ( -8.187 3.625 2.799) 9.381 13.892 ( -0.958 1.350 1.968) 2.571 14.030 ( 2.659 2.224 -1.967) 3.986 14.306 ( -6.114 2.176 -2.265) 6.874 14.420 ( -0.097 -0.135 1.730) 1.738 15.859 ( -6.360 -1.290 -0.134) 6.491 16.059 ( 4.413 -4.509 4.214) 7.587 16.726 ( 4.409 -2.000 -5.735) 7.505 16.954 ( 12.175 0.193 -2.029) 12.345 17.119 ( 4.633 -0.401 6.156) 7.715 17.342 ( -3.868 -5.102 -5.187) 8.240 17.422 ( -4.965 -2.791 2.177) 6.098 17.573 ( -0.525 -4.184 0.950) 4.323 17.771 ( -4.811 3.706 1.178) 6.186 17.860 ( -4.072 -0.470 3.788) 5.582 18.050 ( 1.385 0.575 1.241) 1.947 18.280 ( 6.080 -1.180 -1.576) 6.391 ======================= Grid point 208 (81/189) ======================= q-point: (-0.08 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.971 ( -30.429 9.721 11.107) 33.820 3.381 ( -37.534 4.692 0.905) 37.837 4.961 ( 14.580 -5.906 -4.204) 16.283 5.331 ( -28.126 -3.920 0.955) 28.414 5.970 ( -1.275 -2.442 1.037) 2.944 6.302 ( 7.043 5.657 -1.392) 9.140 6.781 ( 13.628 -5.138 -0.003) 14.565 7.532 ( 15.711 14.167 6.337) 22.083 7.893 ( 14.412 11.196 -10.189) 20.902 8.424 ( -1.883 -5.112 -3.064) 6.251 8.605 ( 3.796 -6.740 2.592) 8.159 9.097 ( 7.066 -6.171 -4.855) 10.563 13.125 ( -9.876 5.509 0.816) 11.338 13.325 ( -9.015 4.357 7.120) 12.286 13.859 ( -7.493 5.665 1.301) 9.484 14.058 ( -1.936 1.098 -2.195) 3.126 14.226 ( -5.052 2.625 0.943) 5.770 14.420 ( -1.164 0.690 2.238) 2.616 15.792 ( 0.405 -2.978 1.580) 3.395 16.106 ( 4.966 -5.347 1.823) 7.522 16.704 ( 0.750 -2.629 -5.127) 5.810 17.059 ( 3.203 -0.426 -1.252) 3.465 17.186 ( -3.274 -4.390 -2.916) 6.205 17.257 ( 2.340 -2.664 -4.641) 5.840 17.358 ( 0.303 -3.987 -0.539) 4.034 17.567 ( 10.597 -5.405 3.055) 12.282 17.741 ( -5.027 4.864 1.190) 7.095 17.823 ( -4.169 1.821 3.535) 5.761 18.126 ( 4.701 0.462 3.842) 6.089 18.345 ( 6.279 -3.485 -3.427) 7.957 ======================= Grid point 214 (82/189) ======================= q-point: ( 0.42 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.115 ( -0.000 21.650 26.102) 33.913 3.676 ( -0.000 17.980 25.668) 31.339 5.426 ( 0.000 8.999 -10.191) 13.596 5.507 ( 0.000 -10.124 -4.385) 11.033 5.672 ( 0.000 11.928 -4.088) 12.609 5.745 ( 0.000 1.317 -13.472) 13.536 6.818 ( 0.000 -18.638 -7.147) 19.962 6.856 ( 0.000 -20.853 -15.162) 25.783 7.214 ( -0.000 -23.479 12.546) 26.621 8.451 ( -0.000 6.300 4.307) 7.632 9.079 ( 0.000 6.227 -7.718) 9.916 9.165 ( -0.000 3.228 -0.197) 3.234 13.036 ( -0.000 -5.728 8.657) 10.381 13.254 ( -0.000 -0.236 3.631) 3.639 13.805 ( 0.000 0.328 -3.032) 3.050 13.912 ( -0.000 1.687 8.569) 8.734 14.131 ( 0.000 0.187 -1.198) 1.212 14.333 ( 0.000 -3.068 0.003) 3.068 16.325 ( -0.000 0.528 11.039) 11.051 16.565 ( -0.000 2.547 3.464) 4.299 16.571 ( 0.000 1.591 -8.697) 8.841 16.890 ( 0.000 2.821 -13.711) 13.998 17.137 ( 0.000 3.562 -1.171) 3.750 17.427 ( -0.000 5.751 -0.128) 5.752 17.516 ( -0.000 2.861 7.245) 7.789 17.590 ( -0.000 -0.519 1.797) 1.870 17.740 ( 0.000 -1.038 -2.746) 2.936 17.933 ( -0.000 5.174 0.181) 5.177 18.279 ( 0.000 -5.239 0.349) 5.251 18.338 ( 0.000 0.302 -1.942) 1.965 ======================= Grid point 215 (83/189) ======================= q-point: ( 0.50 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.486 ( 4.687 16.996 21.484) 27.792 4.043 ( 8.735 13.840 21.318) 26.876 5.214 ( -13.328 -6.559 -8.187) 16.961 5.481 ( 4.955 6.323 -14.257) 16.364 5.704 ( -0.944 7.347 -8.346) 11.159 5.848 ( 5.035 7.341 -2.288) 9.191 6.551 ( -0.670 -20.128 -12.905) 23.919 6.554 ( -6.727 -15.602 -3.867) 17.425 7.238 ( 16.096 -20.475 14.331) 29.726 8.540 ( 1.325 5.124 3.009) 6.088 9.069 ( -3.719 6.346 -5.879) 9.416 9.114 ( -8.598 1.539 -1.413) 8.848 13.065 ( 4.115 -5.517 7.340) 10.063 13.312 ( 4.666 -0.531 3.250) 5.711 13.789 ( 0.359 -0.265 -3.392) 3.422 13.968 ( 0.423 -0.070 6.294) 6.308 14.134 ( 1.495 -0.332 -1.362) 2.049 14.341 ( 3.732 -1.901 -0.018) 4.189 16.328 ( -8.462 0.328 10.279) 13.318 16.455 ( -6.698 0.229 -6.189) 9.122 16.612 ( -0.461 2.542 0.042) 2.584 16.859 ( 2.645 2.453 -13.062) 13.551 17.151 ( -2.458 2.382 3.471) 4.875 17.463 ( -1.443 5.223 -0.684) 5.462 17.598 ( 1.111 3.010 5.035) 5.970 17.609 ( 2.110 -0.221 -0.163) 2.128 17.719 ( -0.869 2.059 -2.141) 3.095 17.974 ( 0.555 3.049 -1.079) 3.281 18.226 ( -0.513 -5.552 0.448) 5.593 18.324 ( -2.061 1.111 0.235) 2.352 ======================= Grid point 216 (84/189) ======================= q-point: ( 0.58 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.824 ( 8.134 9.898 12.503) 17.901 4.450 ( 14.337 6.736 14.601) 21.544 4.872 ( -16.187 -4.938 -4.485) 17.508 5.575 ( 5.736 8.775 -8.475) 13.481 5.698 ( -3.885 5.230 -3.960) 7.625 5.889 ( -5.082 4.653 -6.490) 9.465 6.332 ( 2.817 -12.357 -4.993) 13.622 6.393 ( 6.167 -8.419 -5.707) 11.895 7.464 ( 21.263 -16.272 12.675) 29.624 8.622 ( 2.362 3.067 1.534) 4.164 8.865 ( -19.865 0.052 -2.106) 19.977 9.035 ( -4.873 5.278 -4.267) 8.355 13.152 ( 7.382 -4.627 5.637) 10.377 13.422 ( 7.198 -0.786 2.034) 7.521 13.769 ( -0.694 -0.005 -2.218) 2.324 13.998 ( 0.536 -0.054 0.586) 0.796 14.168 ( 3.538 -0.374 1.065) 3.714 14.404 ( 5.047 -0.893 -0.409) 5.142 16.191 ( -10.813 -1.745 3.381) 11.463 16.325 ( -7.457 0.312 0.984) 7.528 16.595 ( -3.620 1.671 -1.472) 4.250 16.845 ( 1.883 2.448 -12.383) 12.763 17.149 ( -3.800 0.303 8.746) 9.541 17.487 ( -0.918 5.059 0.017) 5.142 17.605 ( 0.895 -2.135 -3.020) 3.805 17.645 ( -3.145 5.590 -1.202) 6.526 17.770 ( 4.092 2.445 2.397) 5.336 17.997 ( 0.832 1.444 -1.563) 2.285 18.162 ( -1.348 -5.801 1.014) 6.041 18.287 ( -3.892 0.407 0.753) 3.985 ======================= Grid point 217 (85/189) ======================= q-point: ( 0.67 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.082 ( 10.647 1.932 3.628) 11.413 4.484 ( -17.944 -0.660 -3.459) 18.286 4.842 ( 16.750 -6.549 9.188) 20.196 5.490 ( -22.929 0.047 0.014) 22.929 5.697 ( 4.127 4.684 -1.598) 6.444 5.894 ( 6.822 10.513 -7.128) 14.418 6.371 ( 8.961 -0.592 1.178) 9.057 6.526 ( 15.504 3.445 -5.259) 16.730 7.733 ( 21.011 -14.052 6.838) 26.185 8.439 ( -29.387 -0.439 -1.818) 29.447 8.705 ( 4.271 0.463 1.312) 4.492 8.967 ( -6.187 4.068 -2.817) 7.922 13.275 ( 8.111 -3.086 3.983) 9.548 13.538 ( 6.699 -0.974 -1.143) 6.865 13.745 ( -2.072 1.493 1.077) 2.772 13.997 ( 0.320 1.108 -3.530) 3.714 14.249 ( 4.762 -0.459 2.777) 5.531 14.463 ( 2.691 0.238 -1.632) 3.156 16.038 ( -6.127 -3.739 2.610) 7.637 16.223 ( -6.424 0.087 1.628) 6.628 16.527 ( -4.603 1.377 -0.196) 4.809 16.813 ( 0.379 2.194 -11.487) 11.701 17.139 ( -4.012 -1.533 11.114) 11.915 17.533 ( 0.669 4.164 0.947) 4.322 17.552 ( -0.609 -3.755 -6.234) 7.303 17.625 ( -3.871 4.301 -1.174) 5.904 17.867 ( 2.101 2.192 3.005) 4.272 18.014 ( 1.044 0.519 -2.128) 2.427 18.091 ( -1.275 -5.060 1.851) 5.537 18.212 ( -5.097 -0.862 -0.134) 5.171 ======================= Grid point 218 (86/189) ======================= q-point: (-0.25 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.136 ( -19.240 2.335 3.351) 19.668 4.289 ( 11.052 -4.754 -3.186) 12.445 5.036 ( 2.694 -15.217 -1.213) 15.501 5.055 ( -13.391 -1.175 -1.235) 13.499 5.850 ( 4.642 9.350 6.283) 12.184 6.100 ( 10.876 5.670 -4.893) 13.205 6.607 ( 11.282 11.024 5.478) 16.698 6.842 ( 17.748 9.105 -4.804) 20.517 7.897 ( -30.831 -1.610 0.915) 30.887 7.951 ( 14.512 -10.330 -0.939) 17.838 8.791 ( 4.729 -1.477 1.991) 5.339 8.879 ( -5.662 1.756 -1.826) 6.203 13.389 ( 4.682 -0.520 3.111) 5.645 13.564 ( -0.634 0.515 -5.762) 5.820 13.783 ( 2.003 2.403 6.374) 7.100 14.000 ( 0.862 2.787 -4.334) 5.225 14.333 ( 3.845 -0.551 2.784) 4.779 14.463 ( -1.627 0.953 -2.905) 3.464 15.964 ( -0.409 -5.224 3.953) 6.564 16.116 ( -6.334 -0.950 -2.620) 6.920 16.519 ( 0.980 2.574 3.809) 4.701 16.769 ( 0.541 0.776 -9.171) 9.220 17.125 ( -3.031 -2.095 9.440) 10.133 17.440 ( -1.963 -6.048 -7.383) 9.744 17.577 ( -4.357 -0.247 0.347) 4.377 17.585 ( 0.677 1.497 0.542) 1.731 17.902 ( -2.210 1.709 3.556) 4.522 17.980 ( -2.866 -0.574 0.054) 2.924 18.098 ( 4.500 -2.189 -0.609) 5.041 18.115 ( -4.570 -0.696 -1.094) 4.750 ======================= Grid point 219 (87/189) ======================= q-point: (-0.17 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.853 ( -23.363 6.482 8.215) 25.599 4.376 ( 0.981 -7.542 -4.759) 8.972 4.607 ( -17.273 0.836 -0.070) 17.293 5.138 ( 16.767 -17.767 -6.577) 25.299 6.063 ( 5.346 8.980 5.502) 11.811 6.266 ( 9.109 1.081 -5.673) 10.786 6.937 ( -0.049 14.232 3.096) 14.565 7.102 ( 3.777 7.742 0.583) 8.634 7.501 ( -8.954 8.376 6.549) 13.900 8.094 ( 16.454 -10.792 -7.007) 20.888 8.748 ( -7.489 0.073 0.051) 7.489 8.885 ( 5.982 -5.091 -0.308) 7.861 13.420 ( -5.079 3.470 1.396) 6.307 13.524 ( -1.589 2.936 -2.010) 3.897 13.895 ( 3.336 2.112 6.512) 7.616 14.024 ( 1.021 4.336 -4.011) 5.994 14.393 ( 0.049 1.616 0.146) 1.624 14.406 ( -1.790 -1.003 -0.322) 2.077 15.936 ( -3.019 -3.736 0.950) 4.896 15.995 ( -1.515 -3.225 -0.503) 3.599 16.624 ( 4.057 2.784 0.051) 4.921 16.764 ( 6.516 -1.662 -3.953) 7.800 17.122 ( -0.655 -1.996 6.662) 6.986 17.297 ( -2.634 -6.353 -7.036) 9.839 17.481 ( -5.055 -4.883 1.941) 7.291 17.553 ( -2.383 -4.985 -1.753) 5.797 17.899 ( -3.509 3.882 3.209) 6.138 17.949 ( -2.908 2.009 2.351) 4.245 18.047 ( -1.281 -0.444 -0.546) 1.461 18.157 ( 5.440 -2.548 -1.990) 6.328 ======================= Grid point 220 (88/189) ======================= q-point: (-0.08 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.597 ( -25.413 11.072 10.651) 29.696 4.002 ( -31.013 2.773 2.874) 31.269 4.633 ( 13.610 -6.558 -4.335) 15.718 5.186 ( 14.350 -16.675 -8.675) 23.648 6.219 ( -0.876 6.972 -2.657) 7.513 6.301 ( -3.198 2.998 -4.510) 6.289 6.732 ( -15.388 3.128 9.780) 18.500 7.440 ( 16.066 9.544 6.477) 19.778 7.754 ( 12.034 15.272 0.806) 19.460 8.202 ( 13.302 -8.619 -8.429) 17.952 8.618 ( -6.763 -2.471 0.717) 7.236 8.899 ( 4.989 -8.669 -3.608) 10.633 13.350 ( -9.058 6.537 1.607) 11.286 13.519 ( -4.270 4.191 2.822) 6.615 13.983 ( -0.350 3.718 3.953) 5.438 14.064 ( 1.118 4.347 -3.125) 5.469 14.330 ( -4.509 2.130 -0.686) 5.033 14.437 ( 1.192 -1.135 2.537) 3.024 15.821 ( -5.466 -1.441 -0.519) 5.676 15.994 ( 3.574 -5.418 1.625) 6.691 16.645 ( 0.251 0.124 -4.003) 4.012 16.904 ( 11.502 -2.133 -3.522) 12.216 17.151 ( 2.482 -2.715 2.185) 4.279 17.165 ( -2.156 -4.603 -4.177) 6.579 17.364 ( -4.054 -6.288 2.932) 8.036 17.439 ( -0.261 -7.259 -1.241) 7.369 17.880 ( -5.134 4.640 0.848) 6.971 17.935 ( -4.197 2.917 3.298) 6.083 18.076 ( 4.069 -0.289 2.359) 4.712 18.199 ( 5.118 -3.895 -2.785) 7.009 ======================= Grid point 227 (89/189) ======================= q-point: ( 0.50 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.697 ( -0.000 7.362 20.000) 21.312 4.170 ( -0.000 6.138 12.848) 14.239 5.219 ( 0.000 -1.502 -15.742) 15.813 5.396 ( 0.000 6.847 -11.078) 13.023 5.819 ( 0.000 13.528 -12.887) 18.684 5.850 ( -0.000 8.995 9.375) 12.992 6.286 ( 0.000 -18.613 -10.260) 21.253 6.520 ( 0.000 -9.047 -0.419) 9.057 6.962 ( -0.000 -23.916 18.059) 29.968 8.583 ( -0.000 3.261 1.200) 3.475 9.117 ( 0.000 5.669 -5.108) 7.631 9.199 ( 0.000 1.814 -1.924) 2.644 13.019 ( -0.000 -5.684 6.722) 8.803 13.287 ( -0.000 -0.955 3.306) 3.441 13.768 ( 0.000 0.486 -2.622) 2.667 13.996 ( -0.000 -2.274 7.001) 7.360 14.107 ( 0.000 0.128 -3.000) 3.003 14.296 ( -0.000 -1.325 1.250) 1.821 16.433 ( 0.000 -2.895 -5.914) 6.584 16.505 ( -0.000 2.813 7.069) 7.608 16.639 ( 0.000 1.569 -0.480) 1.641 16.777 ( 0.000 3.785 -12.848) 13.394 17.225 ( -0.000 1.530 7.526) 7.680 17.506 ( 0.000 4.671 -4.133) 6.237 17.580 ( 0.000 -1.284 -0.507) 1.380 17.636 ( -0.000 1.201 4.958) 5.101 17.744 ( 0.000 4.914 -3.970) 6.317 17.982 ( 0.000 1.801 -1.572) 2.391 18.178 ( 0.000 -5.405 0.037) 5.405 18.356 ( -0.000 1.016 0.446) 1.110 ======================= Grid point 228 (90/189) ======================= q-point: ( 0.58 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.841 ( 3.443 -3.155 11.519) 12.429 4.312 ( 9.809 -4.311 4.117) 11.479 5.037 ( -11.095 1.520 -10.092) 15.075 5.481 ( 6.949 9.383 -9.437) 15.013 5.850 ( -3.974 13.375 -4.302) 14.602 5.977 ( -1.284 5.041 -3.961) 6.538 6.166 ( 3.487 -1.795 5.930) 7.109 6.356 ( -8.119 -7.165 5.535) 12.161 7.037 ( 19.125 -18.998 12.595) 29.754 8.613 ( 1.271 0.676 -0.693) 1.598 9.110 ( -9.674 1.944 -3.215) 10.378 9.120 ( -3.641 3.854 -3.395) 6.296 13.042 ( 4.392 -5.104 5.727) 8.839 13.329 ( 4.248 -1.598 2.346) 5.109 13.768 ( 0.155 1.376 -0.966) 1.689 14.002 ( -0.637 -1.853 3.194) 3.747 14.115 ( 2.769 -0.335 -0.898) 2.930 14.329 ( 3.394 -0.384 1.962) 3.940 16.287 ( -6.695 -3.569 -8.460) 11.364 16.510 ( -8.253 1.877 8.628) 12.087 16.626 ( -0.358 0.609 -5.736) 5.779 16.783 ( 1.832 5.189 -7.890) 9.619 17.264 ( -2.811 -0.278 10.814) 11.177 17.516 ( 0.522 3.212 -4.876) 5.863 17.556 ( -0.358 -1.910 -3.259) 3.794 17.696 ( 3.134 0.343 3.026) 4.370 17.758 ( -0.914 4.958 -3.658) 6.229 17.994 ( 0.382 1.648 -1.017) 1.974 18.128 ( -0.371 -4.671 0.002) 4.685 18.342 ( -2.245 -0.285 -0.370) 2.293 ======================= Grid point 229 (91/189) ======================= q-point: (-0.33 -0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.904 ( 8.167 -10.419 1.322) 13.305 4.441 ( 15.609 -14.449 -1.679) 21.336 4.785 ( -15.353 1.541 -5.260) 16.302 5.659 ( 8.204 10.051 -3.831) 13.528 5.783 ( -13.339 -2.124 0.188) 13.508 5.953 ( -4.016 12.216 -0.781) 12.883 6.354 ( 3.790 8.713 13.655) 16.636 6.361 ( 8.410 6.749 3.276) 11.270 7.281 ( 21.525 -13.781 4.524) 25.956 8.636 ( 3.053 -1.730 -1.192) 3.706 8.844 ( -20.529 0.960 -2.876) 20.752 9.078 ( -4.804 3.474 -2.479) 6.426 13.132 ( 7.896 -4.105 4.593) 10.015 13.413 ( 6.557 -1.701 0.292) 6.780 13.785 ( -0.117 2.079 1.399) 2.508 13.990 ( -0.356 0.446 -1.359) 1.474 14.174 ( 4.783 -1.416 2.169) 5.440 14.406 ( 4.169 0.626 0.953) 4.322 16.091 ( -6.652 -4.342 -5.226) 9.509 16.394 ( -10.703 -0.248 3.511) 11.267 16.586 ( -1.763 1.511 -3.497) 4.198 16.804 ( -1.139 6.163 -5.878) 8.592 17.259 ( -4.360 -2.492 11.538) 12.583 17.482 ( -0.919 -3.485 -7.685) 8.488 17.539 ( 1.535 2.085 -2.607) 3.674 17.714 ( -3.493 2.647 -1.509) 4.635 17.810 ( 5.951 -1.207 0.240) 6.077 18.010 ( -0.067 1.487 -0.240) 1.507 18.081 ( -1.084 -2.567 -0.049) 2.787 18.276 ( -4.078 -1.176 -1.316) 4.443 ======================= Grid point 230 (92/189) ======================= q-point: (-0.25 -0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.948 ( 13.137 -13.761 -5.478) 19.798 4.519 ( -9.880 -6.421 -1.265) 11.851 4.538 ( 10.907 -10.527 -2.504) 15.364 5.457 ( -22.343 -0.989 -0.425) 22.369 5.884 ( 8.078 8.357 3.356) 12.098 6.047 ( 0.874 8.537 3.899) 9.426 6.613 ( 10.393 8.586 8.106) 15.730 6.691 ( 11.087 17.759 6.348) 21.877 7.500 ( 18.874 -9.888 -5.125) 21.915 8.434 ( -27.428 2.014 -1.932) 27.569 8.686 ( 4.821 -3.102 0.552) 5.759 8.998 ( -6.656 1.878 -1.115) 7.005 13.267 ( 9.477 -2.928 3.382) 10.479 13.496 ( 5.181 -0.719 -2.264) 5.700 13.829 ( 0.784 2.918 4.471) 5.396 13.988 ( 0.452 2.286 -3.583) 4.274 14.260 ( 5.382 -1.757 2.981) 6.399 14.464 ( 1.445 1.323 -1.365) 2.387 15.950 ( -2.744 -5.069 -0.318) 5.773 16.220 ( -9.703 -1.536 -1.671) 9.965 16.568 ( -1.030 1.847 0.829) 2.272 16.789 ( -4.050 6.673 -4.648) 9.085 17.220 ( -4.490 -3.753 9.764) 11.383 17.370 ( -1.884 -4.747 -7.997) 9.489 17.566 ( 1.637 0.027 -2.456) 2.952 17.641 ( -4.865 -1.999 -0.358) 5.272 17.889 ( 5.472 -2.868 -0.158) 6.180 18.003 ( -1.018 -0.053 -1.306) 1.657 18.052 ( -0.813 0.525 -0.328) 1.022 18.188 ( -4.890 0.321 -0.580) 4.935 ======================= Grid point 231 (93/189) ======================= q-point: (-0.17 -0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.016 ( 16.517 -14.060 -8.755) 23.392 4.289 ( -15.993 2.862 4.623) 16.892 4.623 ( 16.676 -18.028 -2.987) 24.739 5.064 ( -25.861 1.714 1.534) 25.963 6.101 ( 6.647 5.776 5.097) 10.175 6.164 ( 2.270 6.411 1.919) 7.067 6.919 ( 14.666 2.524 5.333) 15.808 7.079 ( 8.575 19.677 3.195) 21.701 7.664 ( 16.124 -3.926 -10.910) 19.860 8.001 ( -27.654 6.181 2.766) 28.471 8.738 ( 5.135 -5.526 0.842) 7.590 8.883 ( -8.141 0.019 0.089) 8.142 13.413 ( 8.604 -1.708 1.965) 8.989 13.531 ( 0.622 1.628 -2.749) 3.255 13.924 ( 2.592 3.822 6.574) 8.034 14.006 ( 1.741 3.198 -5.107) 6.272 14.343 ( 4.323 -1.757 3.018) 5.557 14.455 ( -2.251 1.416 -3.055) 4.050 15.900 ( 1.216 -5.359 3.026) 6.274 16.044 ( -7.545 -1.552 -4.098) 8.725 16.606 ( 2.996 0.499 2.661) 4.038 16.748 ( -5.529 6.389 -2.929) 8.942 17.170 ( -3.152 -3.788 6.998) 8.559 17.245 ( -2.572 -4.143 -6.675) 8.267 17.522 ( -5.250 -5.740 1.410) 7.906 17.528 ( -1.989 -5.157 -3.126) 6.350 17.929 ( 3.296 -2.298 0.639) 4.068 17.995 ( 0.590 1.917 -2.984) 3.595 18.052 ( 1.149 -0.572 -0.913) 1.575 18.122 ( -5.213 2.222 1.447) 5.848 ======================= Grid point 232 (94/189) ======================= q-point: (-0.08 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 438 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.103 ( 14.108 -11.666 -8.268) 20.087 4.103 ( -17.157 6.384 8.268) 20.087 4.698 ( 9.724 -14.243 -10.549) 20.216 4.698 ( -17.197 1.299 10.549) 20.216 6.255 ( 3.796 3.894 -3.717) 6.587 6.255 ( 1.475 5.234 3.717) 6.587 7.190 ( -10.531 9.116 -2.185) 14.098 7.190 ( 13.160 -4.562 2.185) 14.098 7.861 ( 11.973 6.619 -15.559) 20.719 7.861 ( -0.254 13.679 15.559) 20.719 8.736 ( 0.926 -7.928 -2.591) 8.392 8.736 ( -7.329 -3.162 2.591) 8.392 13.526 ( 2.656 0.999 -3.387) 4.418 13.526 ( -0.463 2.799 3.387) 4.418 14.041 ( 2.927 3.302 -6.498) 7.854 14.041 ( 1.396 4.186 6.498) 7.854 14.400 ( -2.717 1.056 -2.852) 4.078 14.400 ( 2.273 -1.825 2.852) 4.078 15.905 ( -3.646 -1.503 -3.924) 5.563 15.905 ( 0.521 -3.909 3.924) 5.563 16.699 ( 0.734 1.676 -3.010) 3.522 16.699 ( 1.085 1.473 3.010) 3.522 17.138 ( -2.428 -2.446 -4.367) 5.562 17.138 ( -0.904 -3.325 4.367) 5.562 17.392 ( -3.412 -7.375 -2.894) 8.626 17.392 ( -4.680 -6.643 2.894) 8.626 17.990 ( -1.314 2.830 -2.369) 3.918 17.990 ( 3.108 0.277 2.369) 3.918 18.071 ( 3.945 -2.984 -2.244) 5.431 18.071 ( -4.556 1.925 2.244) 5.431 ======================= Grid point 241 (95/189) ======================= q-point: (-0.42 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.776 ( -0.000 -16.348 7.151) 17.844 4.138 ( 0.000 -13.432 -5.215) 14.409 5.109 ( 0.000 6.761 -13.395) 15.005 5.454 ( 0.000 8.906 -4.913) 10.171 5.952 ( -0.000 -4.620 3.492) 5.791 6.004 ( 0.000 22.977 -9.445) 24.843 6.316 ( -0.000 14.656 15.155) 21.082 6.515 ( -0.000 4.378 11.385) 12.197 6.683 ( -0.000 -27.118 12.446) 29.838 8.585 ( 0.000 -1.846 -2.828) 3.377 9.160 ( 0.000 3.968 -3.029) 4.992 9.189 ( 0.000 0.662 -3.625) 3.685 12.990 ( -0.000 -5.042 5.104) 7.175 13.287 ( -0.000 -2.457 1.971) 3.150 13.782 ( -0.000 2.190 0.389) 2.224 14.012 ( -0.000 -4.184 6.331) 7.589 14.075 ( 0.000 1.597 -3.897) 4.211 14.315 ( -0.000 -0.246 3.194) 3.203 16.251 ( 0.000 -3.477 -10.964) 11.502 16.567 ( 0.000 0.141 -10.594) 10.595 16.677 ( -0.000 2.274 10.403) 10.649 16.782 ( 0.000 6.405 -4.085) 7.597 17.350 ( -0.000 -2.592 12.727) 12.988 17.485 ( 0.000 0.656 -7.745) 7.773 17.540 ( 0.000 -0.195 -2.975) 2.982 17.646 ( 0.000 -3.900 0.171) 3.903 17.801 ( 0.000 5.469 -4.160) 6.871 18.005 ( -0.000 1.765 0.211) 1.778 18.092 ( 0.000 -2.485 -0.998) 2.678 18.346 ( 0.000 -1.261 -1.809) 2.205 ======================= Grid point 242 (96/189) ======================= q-point: (-0.33 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.643 ( 4.644 -22.845 0.200) 23.313 4.012 ( 10.339 -22.443 -8.198) 26.035 5.011 ( -10.761 8.924 -9.450) 16.874 5.593 ( 7.839 9.848 -2.969) 12.932 5.930 ( -5.450 -0.178 6.212) 8.266 6.179 ( -4.578 21.280 -5.050) 22.345 6.358 ( -2.038 -9.671 12.917) 16.264 6.557 ( 0.796 14.127 14.624) 20.349 6.892 ( 17.020 -1.271 9.304) 19.439 8.553 ( 2.015 -3.791 -3.264) 5.393 9.083 ( -10.325 0.465 -4.289) 11.190 9.157 ( -2.648 3.057 -1.779) 4.418 13.011 ( 4.711 -4.649 4.113) 7.792 13.306 ( 4.085 -2.683 0.747) 4.944 13.809 ( 0.383 1.482 1.355) 2.044 13.999 ( -0.888 -1.924 2.874) 3.571 14.106 ( 3.336 0.433 -0.056) 3.365 14.356 ( 3.126 -0.358 2.301) 3.898 16.110 ( -4.800 -3.003 -9.369) 10.947 16.487 ( -2.828 -1.305 -8.938) 9.465 16.678 ( -6.487 3.654 6.017) 9.572 16.858 ( 0.878 7.235 -0.563) 7.310 17.359 ( -3.036 -4.893 10.932) 12.356 17.424 ( -1.086 -2.117 -8.890) 9.203 17.510 ( 0.110 -0.018 -3.086) 3.088 17.663 ( 6.276 -4.401 -0.745) 7.701 17.792 ( -3.115 2.176 -2.865) 4.758 18.021 ( 0.061 0.302 0.241) 0.392 18.075 ( -0.046 0.925 -1.989) 2.194 18.305 ( -1.945 -0.493 -2.270) 3.030 ======================= Grid point 243 (97/189) ======================= q-point: (-0.25 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.531 ( 11.335 -23.540 -6.175) 26.846 3.956 ( 17.512 -28.094 -6.588) 33.755 4.855 ( -14.101 10.189 -2.653) 17.598 5.762 ( -14.049 0.425 0.639) 14.070 5.828 ( 7.345 7.205 2.220) 10.526 6.172 ( -1.114 -1.934 8.631) 8.915 6.528 ( 8.094 7.668 3.414) 11.660 6.834 ( 4.928 19.144 10.201) 22.245 7.190 ( 11.445 6.559 3.443) 13.633 8.549 ( 3.889 -4.932 -1.511) 6.460 8.831 ( -17.706 1.771 -3.757) 18.187 9.111 ( -5.230 2.092 -0.242) 5.638 13.099 ( 8.461 -4.383 2.788) 9.929 13.371 ( 6.568 -2.208 -1.187) 7.031 13.843 ( 1.992 0.146 1.959) 2.798 13.991 ( -0.488 0.618 0.491) 0.928 14.178 ( 4.686 -0.669 2.074) 5.168 14.422 ( 3.771 -0.289 0.107) 3.784 15.958 ( -4.474 -2.945 -4.961) 7.301 16.334 ( -7.761 -2.078 -6.149) 10.118 16.648 ( -4.986 3.628 4.007) 7.354 16.912 ( -2.934 8.089 0.152) 8.606 17.305 ( -4.060 -5.591 7.594) 10.267 17.321 ( -2.069 -2.701 -6.989) 7.773 17.508 ( 2.163 -1.316 -3.781) 4.551 17.700 ( -3.807 -2.875 0.707) 4.823 17.739 ( 5.528 -2.924 -3.166) 7.009 17.993 ( -1.045 -3.766 -1.855) 4.326 18.080 ( -0.570 3.926 -2.873) 4.898 18.266 ( -3.059 2.534 0.130) 3.974 ======================= Grid point 244 (98/189) ======================= q-point: (-0.17 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.508 ( 17.788 -20.959 -10.094) 29.285 3.966 ( 19.944 -28.669 -3.987) 35.150 4.727 ( -13.560 10.286 3.155) 17.310 5.475 ( -19.931 -0.246 3.847) 20.301 6.045 ( 8.443 4.541 2.840) 9.999 6.221 ( 3.340 -2.131 6.157) 7.322 6.696 ( 7.078 -1.198 -1.187) 7.277 7.177 ( 7.541 21.296 2.291) 22.708 7.456 ( 8.681 14.054 1.315) 16.572 8.447 ( -17.338 0.684 -1.063) 17.385 8.634 ( -0.023 -2.235 0.257) 2.250 9.023 ( -7.717 1.053 1.529) 7.937 13.225 ( 10.361 -4.504 0.848) 11.329 13.451 ( 6.668 -1.700 -2.829) 7.440 13.909 ( 5.018 -0.398 1.160) 5.166 14.003 ( -0.161 2.973 0.166) 2.981 14.263 ( 5.178 -1.638 2.131) 5.834 14.457 ( 1.155 -0.041 -2.131) 2.424 15.861 ( -1.334 -4.004 -0.610) 4.264 16.145 ( -8.819 -1.217 -4.443) 9.950 16.634 ( -2.813 2.092 3.801) 5.171 16.920 ( -5.771 8.178 1.297) 10.093 17.222 ( -3.310 -2.059 -1.153) 4.065 17.236 ( -3.287 -3.966 2.493) 5.722 17.479 ( -0.322 -4.710 -3.893) 6.119 17.575 ( -6.471 -3.626 0.335) 7.426 17.806 ( 6.763 -3.166 -1.807) 7.683 17.930 ( 1.187 -3.521 -3.752) 5.281 18.087 ( -1.417 4.171 -2.734) 5.185 18.242 ( -4.618 3.314 2.388) 6.166 ======================= Grid point 254 (99/189) ======================= q-point: (-0.33 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.348 ( 0.000 -31.008 0.734) 31.017 3.621 ( 0.000 -26.823 -13.333) 29.954 5.157 ( 0.000 13.172 -9.757) 16.392 5.599 ( -0.000 9.247 0.696) 9.273 6.049 ( -0.000 4.272 9.964) 10.841 6.182 ( 0.000 -34.862 -0.292) 34.863 6.427 ( 0.000 28.495 -4.563) 28.858 6.725 ( -0.000 15.585 12.259) 19.829 7.001 ( -0.000 16.814 23.856) 29.186 8.470 ( 0.000 -5.111 -3.933) 6.449 9.137 ( 0.000 -0.486 -5.364) 5.386 9.198 ( 0.000 2.788 -0.797) 2.900 12.949 ( -0.000 -4.640 3.205) 5.639 13.246 ( -0.000 -3.312 0.285) 3.325 13.812 ( -0.000 -1.595 0.805) 1.787 14.009 ( -0.000 -4.214 6.983) 8.156 14.089 ( 0.000 3.590 -2.136) 4.177 14.331 ( -0.000 -1.464 1.538) 2.123 16.066 ( 0.000 -1.646 -10.717) 10.843 16.443 ( 0.000 0.049 -9.554) 9.555 16.816 ( -0.000 -0.286 8.515) 8.520 16.924 ( -0.000 11.744 0.432) 11.752 17.357 ( 0.000 -2.528 -9.314) 9.651 17.376 ( -0.000 -6.364 5.372) 8.328 17.517 ( 0.000 -6.375 -3.559) 7.301 17.532 ( -0.000 -0.052 1.881) 1.882 17.823 ( 0.000 0.347 -1.169) 1.219 18.006 ( 0.000 -3.621 -0.397) 3.643 18.083 ( 0.000 4.873 -4.219) 6.446 18.314 ( 0.000 2.558 -1.745) 3.097 ======================= Grid point 255 (100/189) ======================= q-point: (-0.25 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.091 ( 6.324 -31.988 -2.717) 32.720 3.376 ( 12.438 -30.509 -10.628) 34.619 5.141 ( -9.988 12.657 -4.786) 16.818 5.758 ( 6.562 -3.006 2.341) 7.588 5.825 ( 0.285 -21.071 -5.426) 21.760 6.142 ( -1.848 4.166 8.244) 9.420 6.662 ( -0.969 24.643 -0.854) 24.677 6.985 ( 2.914 18.781 9.337) 21.175 7.310 ( 1.324 16.219 20.263) 25.988 8.427 ( 3.318 -5.224 -2.047) 6.518 9.023 ( -8.569 -0.472 -5.922) 10.427 9.201 ( -2.751 2.690 0.696) 3.910 12.961 ( 4.654 -4.620 2.091) 6.883 13.245 ( 4.084 -3.606 -1.457) 5.640 13.794 ( 1.608 -4.961 0.364) 5.228 14.011 ( -0.107 -2.483 5.351) 5.900 14.129 ( 2.278 1.381 -0.279) 2.679 14.351 ( 3.243 -1.237 0.079) 3.472 15.968 ( -3.244 -0.211 -8.497) 9.097 16.365 ( -3.283 -0.183 -8.039) 8.685 16.800 ( -5.320 -0.674 6.819) 8.675 17.043 ( -1.882 11.086 2.625) 11.547 17.275 ( -0.369 -1.538 -7.698) 7.859 17.332 ( -1.089 -6.523 3.742) 7.598 17.436 ( 0.809 -4.152 -3.403) 5.429 17.588 ( 5.069 -2.449 0.894) 5.700 17.779 ( -4.549 -0.297 -0.414) 4.577 17.944 ( -0.543 -6.446 -2.577) 6.963 18.110 ( -0.205 6.369 -4.811) 7.984 18.340 ( -1.324 5.399 0.633) 5.595 ======================= Grid point 256 (101/189) ======================= q-point: (-0.17 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.946 ( 15.190 -27.860 -8.365) 32.816 3.319 ( 20.922 -31.670 -3.683) 38.135 5.051 ( -12.248 10.661 0.546) 16.247 5.501 ( 6.333 -33.901 -5.528) 34.927 5.961 ( 2.159 7.183 0.971) 7.563 6.194 ( -1.397 6.961 4.768) 8.553 6.806 ( -6.269 15.754 2.287) 17.109 7.269 ( 4.837 21.265 0.369) 21.811 7.599 ( 2.090 17.321 15.900) 23.605 8.446 ( 4.188 -5.035 0.874) 6.607 8.805 ( -12.994 0.823 -5.260) 14.043 9.167 ( -5.796 2.803 2.628) 6.954 13.030 ( 7.992 -5.083 0.719) 9.498 13.283 ( 6.822 -4.257 -4.389) 9.161 13.794 ( 5.131 -5.883 -0.116) 7.807 14.027 ( 0.856 -1.180 3.627) 3.909 14.179 ( 3.948 -1.562 0.013) 4.245 14.398 ( 3.366 -0.658 -1.259) 3.654 15.868 ( -3.730 0.046 -4.661) 5.970 16.239 ( -6.720 0.197 -5.494) 8.682 16.742 ( -4.740 -1.001 5.393) 7.249 17.073 ( -3.929 4.679 0.880) 6.173 17.244 ( -1.345 0.314 -0.896) 1.646 17.272 ( -2.231 -3.521 4.649) 6.244 17.408 ( 1.372 -3.014 -3.426) 4.765 17.657 ( 4.883 -2.534 0.532) 5.527 17.683 ( -6.115 2.390 -2.242) 6.938 17.856 ( -0.101 -5.399 -3.788) 6.596 18.130 ( -1.069 5.615 -4.436) 7.235 18.364 ( -3.566 5.238 2.640) 6.864 ======================= Grid point 267 (102/189) ======================= q-point: (-0.25 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.714 ( -0.000 -37.606 3.670) 37.784 2.891 ( 0.000 -31.202 -14.982) 34.613 5.324 ( 0.000 13.434 -5.709) 14.597 5.328 ( 0.000 -46.663 -12.417) 48.286 5.831 ( -0.000 11.184 4.089) 11.908 6.301 ( -0.000 9.061 9.053) 12.809 6.907 ( 0.000 28.072 -5.421) 28.591 7.219 ( -0.000 18.136 14.349) 23.126 7.582 ( -0.000 14.728 21.508) 26.067 8.336 ( 0.000 -4.765 -1.445) 4.979 9.038 ( 0.000 -2.031 -7.285) 7.563 9.258 ( -0.000 3.272 1.780) 3.724 12.891 ( -0.000 -4.379 1.372) 4.589 13.160 ( 0.000 -4.656 -2.763) 5.414 13.714 ( 0.000 -9.269 0.357) 9.276 14.003 ( -0.000 -5.766 5.907) 8.255 14.111 ( 0.000 -1.332 -1.753) 2.202 14.324 ( -0.000 1.809 -0.111) 1.813 15.953 ( 0.000 2.657 -8.731) 9.127 16.350 ( 0.000 1.188 -7.248) 7.345 16.850 ( -0.000 -4.520 4.824) 6.611 17.200 ( 0.000 -2.665 -7.747) 8.192 17.215 ( -0.000 11.372 6.065) 12.888 17.290 ( -0.000 -4.478 1.062) 4.602 17.359 ( 0.000 -4.978 -3.761) 6.239 17.546 ( -0.000 -2.101 3.399) 3.996 17.832 ( -0.000 3.112 0.597) 3.168 17.862 ( 0.000 -7.507 -3.058) 8.106 18.148 ( 0.000 7.500 -5.376) 9.228 18.419 ( -0.000 7.627 1.400) 7.755 ======================= Grid point 268 (103/189) ======================= q-point: (-0.17 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.425 ( 7.255 -34.408 -2.906) 35.285 2.668 ( 17.138 -33.717 -4.897) 38.138 4.842 ( 8.905 -50.355 -16.723) 53.801 5.342 ( -8.244 12.230 -2.453) 14.951 6.015 ( 4.127 11.556 3.909) 12.878 6.393 ( -5.086 9.086 6.999) 12.546 7.096 ( -4.922 23.319 -2.683) 23.984 7.451 ( -1.171 17.898 8.185) 19.716 7.836 ( 0.428 13.959 18.322) 23.038 8.336 ( 4.473 -3.593 1.196) 5.861 8.915 ( -6.224 -2.334 -7.861) 10.294 9.286 ( -2.619 4.006 3.090) 5.697 12.890 ( 3.952 -4.518 0.647) 6.037 13.119 ( 3.593 -5.621 -5.315) 8.529 13.641 ( 3.517 -11.558 0.303) 12.085 13.986 ( 1.544 -6.874 4.215) 8.210 14.089 ( 3.047 -4.945 -2.272) 6.237 14.366 ( 1.141 3.716 -0.266) 3.897 15.916 ( -3.052 4.617 -6.340) 8.416 16.299 ( -3.386 1.976 -5.441) 6.707 16.804 ( -2.576 -4.319 3.644) 6.211 17.117 ( -1.561 -1.732 -4.891) 5.418 17.225 ( 0.025 -5.918 0.457) 5.936 17.292 ( -0.200 -2.952 -1.219) 3.200 17.389 ( 1.246 5.095 6.276) 8.179 17.568 ( 2.930 -2.013 2.121) 4.139 17.770 ( -0.673 -5.120 -3.107) 6.026 17.857 ( -4.794 9.343 0.002) 10.501 18.178 ( -1.043 6.964 -4.810) 8.527 18.488 ( -2.229 7.553 2.424) 8.240 ======================= Grid point 280 (104/189) ======================= q-point: (-0.17 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.062 ( -0.000 -40.515 11.316) 42.066 2.113 ( 0.000 -32.877 -13.233) 35.440 4.128 ( 0.000 -57.439 -22.146) 61.561 5.514 ( 0.000 12.813 -3.662) 13.326 6.125 ( -0.000 12.244 7.149) 14.179 6.552 ( -0.000 7.290 4.913) 8.791 7.342 ( 0.000 25.838 -6.661) 26.683 7.693 ( -0.000 14.271 11.615) 18.400 8.056 ( -0.000 10.411 17.419) 20.293 8.272 ( -0.000 -2.030 1.379) 2.454 8.879 ( 0.000 -4.279 -9.421) 10.348 9.368 ( -0.000 4.933 3.381) 5.981 12.823 ( -0.000 -3.913 0.639) 3.965 13.000 ( 0.000 -6.154 -6.139) 8.693 13.477 ( 0.000 -16.386 0.336) 16.390 13.928 ( -0.000 -7.747 3.978) 8.709 13.974 ( 0.000 -8.183 -3.723) 8.990 14.407 ( -0.000 5.421 0.173) 5.423 15.966 ( 0.000 7.749 -5.411) 9.451 16.320 ( 0.000 3.199 -4.693) 5.680 16.797 ( -0.000 -4.613 2.152) 5.090 17.069 ( 0.000 -3.011 -5.357) 6.145 17.167 ( 0.000 -5.193 -0.860) 5.264 17.243 ( 0.000 -3.833 -2.033) 4.339 17.466 ( -0.000 1.642 7.709) 7.882 17.544 ( -0.000 -2.034 3.221) 3.810 17.701 ( 0.000 -5.386 -2.746) 6.045 18.038 ( -0.000 16.726 2.477) 16.909 18.230 ( 0.000 7.338 -3.939) 8.328 18.598 ( -0.000 8.406 1.965) 8.633 ======================= Grid point 321 (105/189) ======================= q-point: ( 0.17 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.605 ( -0.000 0.000 43.345) 43.345 1.605 ( -0.000 0.000 43.345) 43.345 2.210 ( -0.000 0.000 59.504) 59.504 5.993 ( 0.000 -0.000 -0.003) 0.003 6.342 ( 0.000 -0.000 -17.728) 17.728 6.342 ( 0.000 -0.000 -17.728) 17.728 8.081 ( 0.000 -0.000 -11.014) 11.014 8.164 ( -0.000 0.000 0.661) 0.661 8.164 ( -0.000 0.000 0.661) 0.661 8.518 ( 0.000 -0.000 -0.304) 0.304 8.518 ( -0.000 0.000 -0.304) 0.304 9.315 ( 0.000 -0.000 -16.712) 16.712 12.868 ( -0.000 0.000 9.313) 9.313 12.978 ( -0.000 0.000 12.831) 12.831 12.978 ( -0.000 0.000 12.831) 12.831 13.704 ( -0.000 0.000 7.452) 7.452 13.704 ( -0.000 0.000 7.452) 7.452 14.626 ( -0.000 0.000 1.578) 1.578 16.503 ( -0.000 0.000 3.562) 3.562 16.503 ( -0.000 0.000 3.562) 3.562 16.545 ( 0.000 -0.000 -10.364) 10.364 16.929 ( 0.000 -0.000 -3.749) 3.749 16.929 ( 0.000 -0.000 -3.749) 3.749 17.148 ( 0.000 -0.000 -16.436) 16.436 17.313 ( -0.000 0.000 9.193) 9.193 17.547 ( -0.000 0.000 1.692) 1.692 17.547 ( -0.000 0.000 1.692) 1.692 18.498 ( 0.000 -0.000 -0.039) 0.039 18.596 ( 0.000 -0.000 -9.464) 9.464 18.596 ( 0.000 -0.000 -9.464) 9.464 ======================= Grid point 322 (106/189) ======================= q-point: ( 0.25 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.592 ( -9.971 -5.757 43.520) 45.017 1.994 ( 11.031 6.369 40.359) 42.322 3.068 ( 33.697 19.455 49.016) 62.583 5.846 ( -11.617 -6.707 -4.483) 14.143 6.225 ( 2.694 1.556 -14.989) 15.308 6.309 ( 2.175 1.256 -18.208) 18.380 7.930 ( -14.557 -8.405 -1.761) 16.901 8.012 ( -0.202 -0.117 -10.987) 10.989 8.265 ( -10.942 -6.318 -5.239) 13.678 8.286 ( 3.838 2.216 3.543) 5.674 8.702 ( 5.769 3.331 1.290) 6.786 9.198 ( -0.868 -0.501 -17.380) 17.408 13.010 ( -0.566 -0.327 12.150) 12.167 13.029 ( 7.985 4.610 10.899) 14.276 13.126 ( 3.600 2.079 14.169) 14.766 13.718 ( 0.102 0.059 6.402) 6.403 13.855 ( 6.235 3.600 7.117) 10.124 14.610 ( -2.001 -1.155 0.865) 2.467 16.387 ( -7.090 -4.093 -2.999) 8.718 16.467 ( -4.050 -2.338 2.669) 5.384 16.564 ( 1.123 0.648 -0.602) 1.429 16.946 ( 3.368 1.944 -3.998) 5.577 16.946 ( 2.645 1.527 -2.594) 4.007 17.069 ( 1.704 0.984 -16.378) 16.496 17.326 ( -3.115 -1.798 9.384) 10.049 17.538 ( 0.217 0.125 1.357) 1.380 17.609 ( 2.849 1.645 2.217) 3.968 18.470 ( -2.516 -1.452 -2.270) 3.687 18.492 ( -2.289 -1.321 -11.338) 11.642 18.512 ( -3.784 -2.185 -7.857) 8.990 ======================= Grid point 323 (107/189) ======================= q-point: ( 0.33 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.841 ( 11.765 6.793 29.826) 32.774 2.540 ( 17.654 10.192 35.194) 40.671 4.070 ( 32.680 18.868 38.399) 53.838 5.524 ( -13.912 -8.032 -6.022) 17.156 6.204 ( 2.375 1.371 -13.907) 14.174 6.206 ( -2.278 -1.315 -16.395) 16.604 7.543 ( -18.845 -10.880 -1.753) 21.831 7.924 ( -3.589 -2.072 -10.859) 11.623 8.041 ( -2.993 -1.728 -9.416) 10.030 8.371 ( 1.210 0.699 5.700) 5.869 8.750 ( -1.171 -0.676 -2.306) 2.674 9.083 ( -1.449 -0.837 -12.755) 12.864 13.081 ( 0.780 0.450 12.958) 12.990 13.300 ( 4.498 2.597 13.502) 14.467 13.338 ( 13.801 7.968 7.947) 17.807 13.781 ( 2.705 1.562 4.050) 5.115 14.035 ( 6.552 3.783 5.343) 9.263 14.557 ( -2.799 -1.616 -0.230) 3.240 16.206 ( -9.017 -5.206 1.171) 10.477 16.368 ( -6.013 -3.472 1.686) 7.145 16.561 ( -0.277 -0.160 -2.569) 2.589 16.996 ( 2.525 1.458 -0.111) 2.917 17.007 ( 3.966 2.290 -4.014) 6.090 17.015 ( 1.523 0.879 -13.536) 13.650 17.310 ( -3.166 -1.828 7.980) 8.778 17.579 ( 2.925 1.689 1.316) 3.625 17.691 ( 3.361 1.940 1.792) 4.275 18.286 ( -9.281 -5.358 -8.730) 13.822 18.363 ( -3.250 -1.876 -10.171) 10.841 18.436 ( -2.674 -1.544 0.629) 3.151 ======================= Grid point 324 (108/189) ======================= q-point: ( 0.42 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.397 ( 24.880 14.365 17.084) 33.425 3.160 ( 20.732 11.970 29.564) 38.041 4.890 ( 22.966 13.260 24.714) 36.250 5.195 ( -13.351 -7.708 -3.279) 15.761 6.015 ( -6.478 -3.740 -11.595) 13.798 6.144 ( 0.566 0.327 -16.657) 16.670 7.146 ( -15.526 -8.964 -1.424) 17.984 7.744 ( -3.212 -1.854 -16.850) 17.253 8.033 ( 4.554 2.629 -4.241) 6.756 8.390 ( -3.312 -1.912 5.139) 6.406 8.673 ( -2.911 -1.681 -2.149) 3.989 8.945 ( -6.286 -3.629 -8.183) 10.938 13.206 ( 3.857 2.227 12.090) 12.884 13.468 ( 4.022 2.322 9.894) 10.930 13.678 ( 13.095 7.561 3.331) 15.484 13.877 ( 4.398 2.539 1.228) 5.224 14.198 ( 6.027 3.480 3.199) 7.659 14.496 ( -2.260 -1.305 -1.234) 2.887 16.011 ( -10.035 -5.794 4.112) 12.296 16.239 ( -6.513 -3.760 1.977) 7.776 16.539 ( 0.474 0.274 -3.775) 3.814 16.960 ( -0.128 -0.074 -9.057) 9.059 17.052 ( 1.954 1.128 0.992) 2.465 17.059 ( 2.203 1.272 -2.125) 3.315 17.285 ( -2.680 -1.547 5.547) 6.352 17.676 ( 4.971 2.870 1.191) 5.862 17.759 ( 1.413 0.816 -0.247) 1.650 18.019 ( -9.902 -5.717 -4.949) 12.459 18.243 ( -2.921 -1.686 -6.510) 7.332 18.383 ( -3.028 -1.748 2.121) 4.090 ======================= Grid point 325 (109/189) ======================= q-point: ( 0.50 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.077 ( 29.244 16.884 10.010) 35.221 3.763 ( 19.139 11.050 22.703) 31.683 4.920 ( -11.057 -6.384 2.040) 12.929 5.169 ( -8.877 -5.125 3.281) 10.763 5.948 ( 7.016 4.051 -0.830) 8.144 6.038 ( 0.544 0.314 -20.206) 20.216 6.892 ( -6.184 -3.571 -1.789) 7.362 7.615 ( 2.110 1.218 -20.766) 20.909 8.176 ( 8.809 5.086 3.291) 10.691 8.237 ( -13.493 -7.790 1.105) 15.619 8.647 ( -0.795 -0.459 5.831) 5.903 8.719 ( -8.915 -5.147 -6.662) 12.262 13.390 ( 6.511 3.759 10.368) 12.807 13.572 ( 1.333 0.770 3.452) 3.780 13.893 ( 5.877 3.393 -4.266) 8.016 13.980 ( 4.956 2.862 -0.827) 5.783 14.334 ( 4.898 2.828 1.611) 5.881 14.444 ( -1.765 -1.019 -2.297) 3.071 15.852 ( -5.998 -3.463 4.772) 8.411 16.116 ( -6.091 -3.516 2.814) 7.575 16.553 ( 2.393 1.382 -0.898) 2.905 16.905 ( -1.453 -0.839 -2.800) 3.264 17.072 ( -0.308 -0.178 0.572) 0.674 17.088 ( 0.884 0.511 0.358) 1.082 17.276 ( -0.582 -0.336 4.098) 4.153 17.652 ( -9.241 -5.336 -1.532) 10.781 17.793 ( 5.071 2.928 -0.019) 5.855 17.921 ( 1.476 0.852 0.285) 1.728 18.159 ( -2.370 -1.368 -2.900) 3.987 18.325 ( -3.952 -2.281 3.173) 5.558 ======================= Grid point 326 (110/189) ======================= q-point: ( 0.58 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.756 ( 27.957 16.141 6.475) 32.925 4.159 ( 3.342 1.930 11.080) 11.733 4.741 ( -25.524 -14.736 -3.092) 29.634 4.806 ( 0.768 0.443 9.915) 9.954 5.968 ( 5.351 3.089 -19.911) 20.848 6.119 ( 6.041 3.488 -2.276) 7.338 6.878 ( 6.488 3.746 -5.147) 9.090 7.589 ( 7.100 4.099 -21.414) 22.929 7.789 ( -27.531 -15.895 -0.899) 31.803 8.442 ( 11.670 6.737 9.222) 16.329 8.527 ( -5.543 -3.200 -2.474) 6.862 8.694 ( 0.094 0.055 9.427) 9.427 13.559 ( -2.708 -1.563 -2.138) 3.788 13.587 ( 5.235 3.022 7.026) 9.269 13.877 ( -1.557 -0.899 -11.108) 11.253 14.080 ( 4.902 2.830 -2.829) 6.328 14.376 ( -3.165 -1.827 -3.348) 4.956 14.415 ( 1.711 0.988 0.846) 2.149 15.837 ( 1.831 1.057 4.852) 5.293 16.001 ( -6.241 -3.603 2.262) 7.553 16.639 ( 5.243 3.027 2.048) 6.391 16.874 ( -1.639 -0.946 4.586) 4.961 17.081 ( 0.537 0.310 3.994) 4.042 17.096 ( 0.347 0.200 -1.405) 1.461 17.307 ( 0.847 0.489 4.713) 4.813 17.469 ( -7.366 -4.253 3.899) 9.357 17.884 ( 3.680 2.124 -2.369) 4.865 17.983 ( 3.598 2.077 -0.108) 4.156 18.095 ( -2.676 -1.545 -0.769) 3.184 18.243 ( -5.537 -3.197 3.672) 7.373 ======================= Grid point 327 (111/189) ======================= q-point: (-0.33 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.999 ( -17.747 -10.246 1.592) 20.554 4.079 ( -26.225 -15.141 -7.130) 31.110 4.381 ( 19.147 11.055 9.980) 24.258 5.084 ( 14.973 8.645 10.819) 20.396 6.063 ( 12.382 7.149 -13.387) 19.586 6.198 ( 4.441 2.564 -4.180) 6.616 7.052 ( 12.720 7.344 -11.443) 18.619 7.067 ( -37.321 -21.547 -0.472) 43.097 7.660 ( 10.663 6.156 -19.894) 23.396 8.428 ( -3.549 -2.049 0.681) 4.154 8.759 ( -0.024 -0.014 11.279) 11.279 8.763 ( 11.730 6.772 10.259) 16.991 13.443 ( -5.960 -3.441 -3.580) 7.758 13.530 ( -9.596 -5.540 -9.017) 14.286 13.889 ( 6.621 3.823 -0.897) 7.698 14.120 ( 0.019 0.011 -7.191) 7.191 14.284 ( -2.543 -1.468 -2.219) 3.681 14.420 ( -1.367 -0.789 -0.056) 1.579 15.872 ( -6.273 -3.622 2.043) 7.526 15.957 ( 5.132 2.963 6.277) 8.632 16.806 ( 9.854 5.689 -1.260) 11.448 16.885 ( -1.504 -0.868 8.686) 8.858 17.100 ( 1.032 0.596 -1.216) 1.702 17.155 ( 2.539 1.466 7.919) 8.444 17.374 ( 2.405 1.388 7.525) 8.021 17.375 ( -4.584 -2.646 6.303) 8.231 17.906 ( -0.087 -0.050 -5.498) 5.499 18.041 ( -1.624 -0.938 0.260) 1.894 18.057 ( 1.093 0.631 -0.586) 1.392 18.146 ( -3.030 -1.749 4.295) 5.540 ======================= Grid point 328 (112/189) ======================= q-point: (-0.25 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.396 ( -31.480 -18.175 -2.067) 36.408 3.507 ( -25.770 -14.878 -4.210) 30.053 4.850 ( 17.196 9.928 7.403) 21.192 5.488 ( 15.525 8.963 7.814) 19.556 6.077 ( -31.507 -18.191 -4.272) 36.631 6.292 ( 6.763 3.905 -4.878) 9.208 6.445 ( 6.029 3.481 0.639) 6.991 7.266 ( 14.161 8.176 -14.929) 22.141 7.797 ( 12.120 6.997 -18.431) 23.142 8.367 ( -2.887 -1.667 1.779) 3.778 8.824 ( -0.454 -0.262 11.700) 11.712 9.052 ( 9.554 5.516 7.149) 13.146 13.227 ( -10.954 -6.324 -10.754) 16.602 13.276 ( -7.568 -4.369 -1.611) 8.886 13.987 ( -6.891 -3.979 -7.139) 10.691 14.028 ( 5.011 2.893 0.855) 5.848 14.228 ( -2.521 -1.455 -3.957) 4.912 14.365 ( -2.878 -1.662 -0.824) 3.424 15.786 ( -2.580 -1.489 4.064) 5.039 16.104 ( 4.166 2.405 7.593) 8.989 16.895 ( -2.191 -1.265 7.152) 7.586 17.048 ( 13.455 7.768 -4.622) 16.209 17.120 ( 0.498 0.287 0.373) 0.685 17.247 ( 2.000 1.155 4.798) 5.325 17.326 ( -3.482 -2.010 5.577) 6.875 17.517 ( 4.819 2.782 11.868) 13.107 17.821 ( -3.533 -2.040 -5.631) 6.953 17.953 ( -7.419 -4.283 2.034) 8.805 18.035 ( 1.174 0.678 -1.238) 1.836 18.245 ( 6.983 4.032 1.985) 8.304 ======================= Grid point 329 (113/189) ======================= q-point: (-0.17 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.716 ( -31.084 -17.947 3.902) 36.105 2.848 ( -30.959 -17.874 -9.144) 36.899 5.108 ( -48.274 -27.871 10.505) 56.723 5.220 ( 13.396 7.734 5.938) 16.569 5.880 ( 14.194 8.195 -1.429) 16.452 6.424 ( 7.704 4.448 -4.811) 10.114 6.826 ( 21.169 12.222 3.527) 24.696 7.484 ( 13.963 8.061 -14.579) 21.737 7.945 ( 11.172 6.450 -18.143) 22.262 8.318 ( -2.389 -1.379 0.878) 2.895 8.873 ( -1.591 -0.918 11.016) 11.168 9.256 ( 6.607 3.814 2.102) 7.913 12.966 ( -7.699 -4.445 -6.688) 11.125 13.113 ( -7.191 -4.152 2.126) 8.571 13.762 ( -10.516 -6.072 -4.444) 12.931 14.074 ( -2.456 -1.418 2.159) 3.565 14.102 ( -6.251 -3.609 -4.815) 8.677 14.332 ( 1.553 0.897 -1.105) 2.107 15.822 ( 3.022 1.745 5.538) 6.546 16.224 ( 3.057 1.765 6.462) 7.363 16.871 ( -2.973 -1.717 3.046) 4.590 17.108 ( -2.255 -1.302 1.905) 3.226 17.215 ( -0.430 -0.248 4.378) 4.406 17.288 ( -2.713 -1.566 3.905) 5.006 17.372 ( 10.683 6.168 -7.338) 14.353 17.619 ( -1.606 -0.927 -2.030) 2.750 17.794 ( 5.544 3.201 3.852) 7.472 17.809 ( -6.733 -3.888 2.570) 8.189 18.089 ( 4.579 2.643 0.350) 5.299 18.426 ( 8.366 4.830 0.772) 9.691 ======================= Grid point 334 (114/189) ======================= q-point: ( 0.25 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.872 ( -0.000 -14.564 46.777) 48.992 2.195 ( -0.000 8.564 40.067) 40.972 3.374 ( -0.000 36.860 47.046) 59.766 5.901 ( 0.000 -6.481 -1.949) 6.768 6.002 ( 0.000 -5.366 -20.157) 20.859 6.238 ( 0.000 5.376 -19.675) 20.396 7.934 ( 0.000 -1.144 -11.371) 11.428 7.969 ( 0.000 -12.593 -2.591) 12.857 8.206 ( 0.000 -17.742 -5.423) 18.552 8.251 ( -0.000 -0.527 4.526) 4.557 8.745 ( -0.000 11.306 1.065) 11.356 9.091 ( 0.000 0.541 -19.315) 19.323 13.067 ( -0.000 5.708 9.996) 11.511 13.089 ( -0.000 -3.135 14.449) 14.785 13.222 ( -0.000 5.799 15.509) 16.558 13.767 ( -0.000 -0.079 6.406) 6.406 13.885 ( -0.000 5.224 7.779) 9.371 14.608 ( 0.000 -3.166 0.004) 3.166 16.367 ( 0.000 -5.233 -3.699) 6.408 16.533 ( 0.000 0.149 -0.296) 0.332 16.538 ( -0.000 -1.980 3.160) 3.730 16.879 ( 0.000 0.992 -4.915) 5.014 16.981 ( 0.000 4.422 -16.158) 16.752 16.986 ( 0.000 7.765 -1.094) 7.842 17.384 ( -0.000 -3.314 9.417) 9.983 17.538 ( -0.000 -0.984 1.643) 1.916 17.624 ( -0.000 3.341 2.084) 3.938 18.356 ( 0.000 -8.809 -10.954) 14.057 18.475 ( 0.000 -1.399 -1.710) 2.209 18.503 ( 0.000 1.305 -11.932) 12.004 ======================= Grid point 335 (115/189) ======================= q-point: ( 0.33 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.027 ( -1.020 0.500 41.433) 41.448 2.622 ( 10.848 10.711 37.020) 40.036 4.128 ( 17.171 30.696 38.179) 51.910 5.631 ( -12.958 -6.297 -8.631) 16.795 5.994 ( 8.155 -3.816 -13.478) 16.209 6.143 ( -0.703 1.094 -20.469) 20.510 7.679 ( -13.567 -14.655 -3.838) 20.336 7.865 ( -0.989 -4.552 -8.773) 9.933 7.957 ( -1.814 -14.318 -8.244) 16.621 8.330 ( 5.359 -2.635 5.621) 8.201 8.810 ( -4.294 7.353 -4.136) 9.466 9.011 ( 1.574 2.471 -13.429) 13.745 13.143 ( 0.383 -2.517 13.813) 14.046 13.234 ( 7.428 1.598 9.475) 12.145 13.410 ( 2.672 9.528 14.582) 17.623 13.801 ( 0.193 0.745 4.962) 5.022 14.015 ( 4.269 4.241 5.724) 8.305 14.558 ( -1.141 -4.030 -1.147) 4.343 16.274 ( -4.387 -3.574 -0.430) 5.675 16.453 ( -5.901 -1.681 0.954) 6.210 16.557 ( -0.090 -0.724 -0.488) 0.877 16.892 ( 3.778 0.871 -5.501) 6.730 16.947 ( 0.380 5.308 -12.674) 13.746 17.064 ( -0.140 8.883 0.263) 8.888 17.391 ( -2.333 -2.385 8.838) 9.446 17.558 ( 1.873 0.348 1.784) 2.610 17.683 ( 1.766 3.245 1.714) 4.073 18.195 ( -0.992 -10.602 -9.812) 14.479 18.398 ( -4.523 1.117 -11.041) 11.984 18.445 ( -0.809 -1.746 -1.755) 2.604 ======================= Grid point 336 (116/189) ======================= q-point: ( 0.42 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.387 ( 10.211 13.309 30.074) 34.436 3.165 ( 15.811 12.778 32.316) 38.179 4.870 ( 17.741 20.316 26.375) 37.724 5.318 ( -12.652 -5.765 -5.302) 14.880 5.954 ( -0.284 -2.601 -17.562) 17.756 6.012 ( 1.840 -2.345 -17.074) 17.332 7.270 ( -14.852 -14.975 -3.657) 21.406 7.624 ( -3.481 -14.231 -13.448) 19.887 7.925 ( 6.260 -1.429 -2.754) 6.987 8.411 ( 2.732 -2.170 5.306) 6.350 8.728 ( -5.939 4.949 -8.015) 11.136 8.969 ( -3.616 0.634 -6.191) 7.198 13.230 ( 3.001 -1.903 13.333) 13.798 13.422 ( 8.418 -1.507 7.678) 11.493 13.644 ( 5.117 9.683 8.943) 14.139 13.853 ( 2.225 1.390 2.395) 3.553 14.153 ( 5.152 2.728 2.850) 6.490 14.495 ( -1.051 -2.850 -1.895) 3.580 16.147 ( -8.693 -3.645 4.181) 10.312 16.336 ( -7.001 -1.616 1.057) 7.262 16.528 ( -1.061 0.880 -3.374) 3.645 16.924 ( 1.236 3.161 -8.540) 9.190 16.946 ( 3.573 0.710 -4.037) 5.438 17.139 ( -1.303 7.995 0.888) 8.149 17.373 ( -3.863 -0.540 6.897) 7.923 17.629 ( 4.187 1.578 1.590) 4.748 17.753 ( 1.643 3.262 0.586) 3.699 18.006 ( -3.424 -10.251 -6.623) 12.676 18.271 ( -4.715 1.410 -7.785) 9.210 18.405 ( -1.177 -2.128 -0.098) 2.434 ======================= Grid point 337 (117/189) ======================= q-point: ( 0.50 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.936 ( 18.877 18.879 19.621) 33.132 3.739 ( 16.475 13.692 26.395) 33.994 5.034 ( -10.901 -7.507 1.112) 13.282 5.295 ( -1.314 4.918 7.076) 8.717 5.844 ( 5.440 0.412 -10.374) 11.721 5.914 ( -0.182 0.134 -18.360) 18.361 6.923 ( -8.251 -10.971 -4.848) 14.558 7.389 ( 2.485 -12.645 -17.615) 21.826 8.067 ( 10.501 0.772 5.230) 11.756 8.399 ( -7.693 1.284 -0.088) 7.800 8.668 ( -0.775 0.427 0.622) 1.081 8.810 ( -9.796 -1.859 -5.356) 11.318 13.366 ( 6.035 -1.144 11.685) 13.201 13.552 ( 4.559 -1.571 4.085) 6.320 13.816 ( 3.991 3.254 -1.026) 5.251 13.930 ( 3.804 2.508 0.609) 4.597 14.264 ( 5.298 0.441 0.347) 5.328 14.458 ( -0.691 0.659 -2.017) 2.232 15.984 ( -9.906 -3.247 6.049) 12.052 16.216 ( -6.929 -1.539 2.166) 7.421 16.527 ( 1.496 2.175 -2.324) 3.517 16.916 ( -0.607 2.563 -3.197) 4.143 16.992 ( 3.983 -1.525 -1.906) 4.671 17.171 ( -3.139 5.206 1.187) 6.194 17.353 ( -3.438 2.512 4.601) 6.269 17.708 ( -1.034 -1.892 -1.135) 2.436 17.749 ( -0.091 0.496 -0.628) 0.806 17.900 ( 1.731 -0.481 -0.175) 1.805 18.184 ( -3.301 0.776 -3.415) 4.812 18.362 ( -1.858 -2.814 1.510) 3.695 ======================= Grid point 338 (118/189) ======================= q-point: ( 0.58 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.556 ( 22.503 18.825 11.999) 31.698 4.210 ( 7.188 9.718 17.002) 20.861 4.815 ( -6.961 -10.419 5.530) 13.696 5.083 ( -20.059 -1.795 0.645) 20.150 5.797 ( 2.958 3.630 -23.281) 23.748 6.003 ( 9.265 0.848 -2.125) 9.543 6.769 ( 2.721 -3.256 -7.697) 8.789 7.270 ( 9.840 -9.953 -19.628) 24.107 8.114 ( -23.569 -4.756 -2.508) 24.175 8.337 ( 12.862 2.317 10.541) 16.790 8.620 ( -7.412 0.918 -2.597) 7.908 8.714 ( 2.518 -0.652 5.585) 6.161 13.510 ( 4.652 -3.378 4.725) 7.442 13.607 ( 1.955 1.628 4.156) 4.873 13.812 ( -0.672 -2.496 -9.257) 9.611 14.011 ( 3.774 2.569 -3.228) 5.591 14.323 ( 2.840 -2.467 -1.248) 3.963 14.454 ( -1.195 3.391 -1.739) 3.994 15.885 ( -3.676 -0.284 6.717) 7.662 16.105 ( -7.136 -1.248 2.681) 7.724 16.582 ( 4.236 0.306 0.390) 4.265 16.923 ( -0.519 1.083 2.802) 3.048 17.020 ( 2.720 -2.155 -0.584) 3.519 17.172 ( -2.830 4.702 2.981) 6.245 17.362 ( -1.931 3.335 2.946) 4.851 17.585 ( -6.707 -1.532 3.535) 7.735 17.817 ( 4.164 0.813 -2.135) 4.749 17.960 ( 2.593 3.276 -0.358) 4.193 18.126 ( -2.874 -0.348 -0.526) 2.943 18.302 ( -3.385 -3.993 2.720) 5.899 ======================= Grid point 339 (119/189) ======================= q-point: (-0.33 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.071 ( 2.300 -0.118 0.373) 2.333 4.214 ( 0.470 2.558 7.534) 7.971 4.539 ( -25.415 -3.982 4.364) 26.093 5.034 ( 8.857 8.968 10.621) 16.483 5.852 ( 11.393 8.556 -15.645) 21.161 6.092 ( 6.244 -2.275 -3.773) 7.643 6.832 ( 11.016 2.504 -12.031) 16.504 7.253 ( 7.415 -10.328 -16.978) 21.211 7.562 ( -27.443 -6.474 -4.913) 28.621 8.529 ( -6.182 4.167 -0.711) 7.489 8.636 ( 12.706 -2.111 12.858) 18.200 8.809 ( 4.269 1.678 7.163) 8.506 13.470 ( -3.476 -3.347 -2.736) 5.547 13.588 ( -8.989 -3.441 -8.233) 12.666 13.794 ( 7.675 1.248 1.248) 7.875 14.051 ( 2.510 0.384 -7.276) 7.707 14.301 ( -1.588 -0.817 -1.814) 2.546 14.447 ( -1.750 1.341 -1.017) 2.428 15.943 ( 3.023 1.729 8.313) 9.013 15.985 ( -7.458 -0.697 1.815) 7.707 16.676 ( 7.952 -1.052 -0.068) 8.022 16.942 ( -0.228 -1.041 4.093) 4.230 17.047 ( 2.562 -1.344 2.022) 3.530 17.228 ( -0.521 5.677 7.174) 9.163 17.388 ( -0.028 1.178 4.523) 4.674 17.524 ( -5.512 2.788 6.660) 9.083 17.850 ( 2.061 -0.502 -5.357) 5.762 18.015 ( 1.073 0.419 -1.189) 1.656 18.088 ( -1.297 1.638 0.843) 2.253 18.211 ( -4.495 -4.715 3.849) 7.566 ======================= Grid point 340 (120/189) ======================= q-point: (-0.25 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.625 ( -24.515 -18.103 -0.517) 30.479 3.960 ( -34.393 -1.757 -2.027) 34.498 4.681 ( 18.578 7.646 7.685) 21.509 5.398 ( 13.256 12.801 8.154) 20.152 6.060 ( 10.898 0.875 -6.529) 12.734 6.201 ( 10.046 7.312 -4.751) 13.303 6.697 ( -34.988 -15.382 -1.461) 38.248 7.001 ( 13.134 4.224 -13.626) 19.391 7.484 ( 14.923 1.393 -17.109) 22.746 8.470 ( -6.002 3.941 0.483) 7.196 8.810 ( 6.284 -6.986 10.755) 14.281 8.997 ( 8.413 4.521 6.596) 11.607 13.299 ( -11.068 -3.829 -9.770) 15.252 13.355 ( -7.365 -1.599 -2.819) 8.047 13.938 ( 5.406 -0.763 1.010) 5.552 14.003 ( -0.791 -0.481 -6.615) 6.679 14.251 ( -3.175 1.149 -3.619) 4.949 14.408 ( -3.082 0.050 -0.538) 3.129 15.869 ( -6.012 -0.969 3.761) 7.158 16.094 ( 5.096 1.264 8.860) 10.299 16.835 ( 12.444 0.692 -3.497) 12.944 16.944 ( 0.510 -1.113 2.093) 2.425 17.101 ( 2.372 -0.742 4.513) 5.151 17.302 ( -1.517 3.085 6.244) 7.128 17.418 ( -3.102 0.183 7.283) 7.919 17.557 ( 1.235 3.364 7.989) 8.756 17.803 ( -1.511 -1.920 -6.810) 7.235 17.988 ( -1.350 -3.673 0.521) 3.948 18.056 ( -4.206 -1.866 0.782) 4.667 18.208 ( 3.711 3.125 2.416) 5.420 ======================= Grid point 341 (121/189) ======================= q-point: (-0.17 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.031 ( -28.821 -15.852 3.235) 33.051 3.325 ( -38.084 -2.710 -3.342) 38.326 5.055 ( 16.482 2.660 4.861) 17.389 5.688 ( -28.930 -12.422 8.828) 32.698 5.786 ( -2.335 6.173 -1.337) 6.734 6.260 ( 8.947 -0.485 -5.230) 10.375 6.634 ( 18.184 12.725 1.589) 22.251 7.200 ( 15.932 4.451 -13.326) 21.242 7.664 ( 15.289 4.844 -17.857) 24.002 8.408 ( -5.890 2.968 0.130) 6.597 8.885 ( 3.661 -6.571 9.294) 11.957 9.186 ( 7.039 1.799 2.420) 7.658 13.043 ( -9.953 -1.196 -6.737) 12.078 13.219 ( -7.499 -0.839 1.239) 7.646 13.837 ( -7.153 -3.412 -3.873) 8.821 14.065 ( 3.154 -0.072 -0.560) 3.204 14.162 ( -5.404 0.712 -3.771) 6.629 14.353 ( -3.196 1.189 -0.256) 3.419 15.837 ( -0.225 -0.595 5.758) 5.793 16.217 ( 3.610 -0.836 7.784) 8.621 16.884 ( -0.124 -4.482 -1.118) 4.621 17.085 ( 8.227 0.599 -0.976) 8.306 17.177 ( 6.256 4.439 1.354) 7.789 17.311 ( -2.730 0.489 3.454) 4.429 17.378 ( -5.043 0.016 3.722) 6.268 17.629 ( -1.185 -0.767 -0.045) 1.413 17.747 ( 2.270 -2.086 1.241) 3.323 17.888 ( -5.684 -5.067 3.199) 8.259 18.049 ( 3.045 1.773 1.314) 3.761 18.344 ( 6.957 3.788 0.300) 7.928 ======================= Grid point 347 (122/189) ======================= q-point: ( 0.33 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.311 ( -0.000 2.590 43.895) 43.971 2.862 ( -0.000 12.968 36.171) 38.426 4.504 ( -0.000 30.627 30.841) 43.465 5.684 ( 0.000 -2.500 -19.377) 19.538 5.763 ( 0.000 -4.639 -2.185) 5.128 6.006 ( 0.000 -2.741 -23.864) 24.021 7.624 ( 0.000 -18.723 -5.554) 19.530 7.737 ( 0.000 -21.612 -9.528) 23.619 7.767 ( 0.000 -4.972 -6.345) 8.061 8.295 ( -0.000 -1.524 7.633) 7.783 8.915 ( 0.000 4.920 -17.152) 17.844 8.945 ( -0.000 8.946 -0.084) 8.946 13.191 ( -0.000 -5.156 14.664) 15.544 13.232 ( -0.000 0.561 7.797) 7.817 13.571 ( -0.000 9.786 14.468) 17.467 13.831 ( -0.000 -0.350 4.405) 4.419 14.050 ( -0.000 3.775 4.228) 5.668 14.512 ( 0.000 -5.198 -1.838) 5.514 16.287 ( -0.000 -0.755 0.355) 0.834 16.517 ( 0.000 -1.162 0.005) 1.163 16.532 ( -0.000 0.043 0.109) 0.117 16.838 ( 0.000 2.358 -7.745) 8.096 16.940 ( 0.000 7.292 -10.059) 12.424 17.159 ( -0.000 9.278 1.148) 9.348 17.441 ( -0.000 -2.116 9.009) 9.254 17.556 ( -0.000 0.490 2.161) 2.216 17.714 ( -0.000 4.166 1.426) 4.403 18.048 ( 0.000 -10.138 -8.340) 13.128 18.374 ( 0.000 0.635 -11.124) 11.142 18.418 ( 0.000 -1.958 -2.448) 3.135 ======================= Grid point 348 (123/189) ======================= q-point: ( 0.42 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.631 ( 1.468 11.721 38.325) 40.105 3.282 ( 9.180 13.984 33.503) 37.446 4.995 ( 9.046 21.555 19.789) 30.627 5.431 ( -11.247 -2.652 -9.588) 15.015 5.785 ( 2.974 -1.364 -22.238) 22.478 5.836 ( 3.988 -5.327 -12.751) 14.383 7.292 ( -10.984 -19.748 -5.561) 23.272 7.438 ( -3.187 -20.966 -11.437) 24.094 7.765 ( 7.807 -6.462 -0.242) 10.138 8.368 ( 3.540 -0.644 7.114) 7.972 8.829 ( -5.071 8.012 -12.908) 16.017 9.009 ( -1.799 4.908 -2.629) 5.851 13.235 ( 1.796 -5.454 13.563) 14.729 13.325 ( 5.784 -1.651 6.867) 9.129 13.739 ( 1.014 6.826 8.715) 11.116 13.859 ( 0.592 0.557 5.014) 5.079 14.121 ( 2.873 1.915 1.324) 3.697 14.455 ( 0.333 -4.050 -1.870) 4.473 16.265 ( -4.422 0.350 3.931) 5.927 16.442 ( -6.241 0.125 -0.032) 6.243 16.540 ( -0.902 0.557 -1.745) 2.042 16.836 ( 3.219 1.802 -8.654) 9.407 16.952 ( -0.595 7.059 -6.546) 9.645 17.240 ( -0.922 7.817 0.660) 7.899 17.464 ( -2.009 -0.261 7.751) 8.011 17.596 ( 2.425 0.954 1.885) 3.216 17.775 ( 1.060 5.126 0.990) 5.328 17.908 ( -0.924 -9.012 -5.454) 10.574 18.298 ( -2.658 1.354 -7.933) 8.475 18.385 ( 0.087 -2.249 -2.083) 3.066 ======================= Grid point 349 (124/189) ======================= q-point: ( 0.50 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.050 ( 7.436 17.959 29.156) 35.041 3.797 ( 13.359 14.805 29.040) 35.228 5.166 ( -12.606 -5.154 -1.680) 13.722 5.351 ( 4.725 7.205 0.545) 8.633 5.651 ( 6.724 0.442 -19.584) 20.711 5.826 ( 0.807 0.552 -10.700) 10.745 6.902 ( -9.678 -17.172 -5.513) 20.468 7.129 ( -1.056 -19.439 -13.702) 23.806 7.898 ( 12.747 -5.630 7.628) 15.886 8.460 ( 2.220 1.248 4.993) 5.605 8.747 ( -6.409 7.711 -8.455) 13.116 8.928 ( -8.703 0.697 -3.741) 9.499 13.316 ( 4.848 -5.419 11.973) 14.008 13.452 ( 7.220 -2.286 4.448) 8.783 13.803 ( 0.425 0.708 -1.236) 1.486 13.931 ( 1.012 2.897 5.580) 6.368 14.188 ( 3.988 -0.126 -0.589) 4.033 14.439 ( 1.749 -0.681 -1.583) 2.455 16.176 ( -10.467 -1.191 7.897) 13.166 16.331 ( -6.856 -0.109 0.376) 6.868 16.522 ( -0.359 2.645 -3.552) 4.443 16.858 ( 3.962 0.690 -8.682) 9.568 16.982 ( -0.238 5.599 -0.677) 5.645 17.277 ( -2.533 5.779 -0.231) 6.314 17.468 ( -3.568 2.599 5.373) 6.954 17.662 ( 3.458 0.253 0.252) 3.477 17.772 ( -2.888 -3.788 -1.516) 4.998 17.869 ( 2.729 3.403 0.355) 4.376 18.230 ( -3.194 1.695 -3.335) 4.919 18.353 ( -0.110 -2.943 -0.574) 3.000 ======================= Grid point 350 (125/189) ======================= q-point: ( 0.58 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.540 ( 12.756 18.547 19.573) 29.830 4.302 ( 10.150 14.045 21.539) 27.645 4.884 ( -10.853 -10.544 1.195) 15.179 5.320 ( -6.942 3.979 -5.117) 9.498 5.700 ( -3.535 4.027 -17.718) 18.511 5.804 ( 11.255 -1.209 -6.301) 12.956 6.641 ( -0.727 -9.776 -7.461) 12.319 6.907 ( 5.856 -15.675 -15.367) 22.718 8.146 ( 15.381 -6.242 13.285) 21.260 8.440 ( -14.775 3.985 -2.977) 15.590 8.664 ( -1.347 -2.204 2.073) 3.312 8.772 ( -6.684 4.586 -4.543) 9.292 13.419 ( 5.747 -5.501 7.460) 10.906 13.565 ( 6.119 -0.899 3.170) 6.950 13.770 ( -1.833 -1.530 -5.007) 5.547 13.979 ( 0.681 1.894 -1.969) 2.816 14.246 ( 3.974 -0.953 0.445) 4.111 14.464 ( 1.485 1.589 -2.527) 3.334 16.039 ( -9.635 -0.500 8.812) 13.067 16.230 ( -6.571 -0.302 2.502) 7.038 16.527 ( 1.261 0.259 -2.872) 3.147 16.868 ( 3.681 -1.047 -7.899) 8.777 17.036 ( -0.505 3.733 5.244) 6.457 17.286 ( -2.608 6.049 1.353) 6.725 17.456 ( -3.918 3.221 1.886) 5.411 17.668 ( -1.705 -1.261 1.216) 2.445 17.757 ( 2.328 0.895 0.096) 2.496 17.947 ( 2.530 3.711 -0.892) 4.579 18.180 ( -3.516 0.926 0.191) 3.641 18.311 ( -1.258 -4.231 1.013) 4.528 ======================= Grid point 351 (126/189) ======================= q-point: ( 0.67 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.011 ( 12.955 12.975 9.656) 20.722 4.354 ( -13.780 -7.160 2.356) 15.707 4.880 ( -2.875 7.015 13.334) 15.339 5.137 ( -11.782 2.814 4.993) 13.102 5.677 ( 8.470 10.613 -16.866) 21.652 5.900 ( 9.148 -5.776 -5.306) 12.050 6.604 ( 8.322 -1.957 -10.661) 13.665 6.855 ( 13.398 -8.747 -16.178) 22.754 7.990 ( -30.487 -4.078 -3.296) 30.935 8.436 ( 15.134 -9.177 12.564) 21.705 8.666 ( -4.341 5.406 -0.724) 6.971 8.775 ( 3.988 2.208 2.871) 5.387 13.455 ( 0.760 -3.702 0.972) 3.902 13.637 ( -4.486 -2.407 -9.863) 11.099 13.701 ( 5.034 0.519 6.466) 8.211 13.979 ( 1.385 0.919 -6.933) 7.129 14.295 ( 1.465 0.206 0.944) 1.755 14.469 ( -0.460 1.243 -3.259) 3.518 15.998 ( -2.271 0.984 9.571) 9.885 16.128 ( -7.908 -0.045 2.546) 8.308 16.541 ( 4.593 -3.430 -1.267) 5.870 16.867 ( 3.973 -2.637 -6.761) 8.274 17.090 ( -1.526 1.363 9.297) 9.519 17.341 ( -0.777 7.152 4.964) 8.741 17.444 ( -1.867 3.335 1.500) 4.106 17.640 ( -2.237 -0.595 1.904) 2.997 17.796 ( 0.959 1.605 -1.664) 2.503 18.001 ( 1.369 2.037 -1.902) 3.105 18.137 ( -2.810 0.565 1.586) 3.276 18.241 ( -2.780 -5.621 2.432) 6.726 ======================= Grid point 352 (127/189) ======================= q-point: (-0.25 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.877 ( -21.868 -9.798 1.021) 23.985 4.452 ( -2.621 8.316 1.033) 8.780 4.552 ( -14.869 -2.771 4.966) 15.919 5.385 ( 11.157 12.274 11.273) 20.055 5.839 ( 9.728 -1.885 -6.907) 12.078 6.046 ( 14.201 9.172 -4.898) 17.601 6.687 ( 10.168 -1.104 -12.935) 16.490 6.934 ( 7.771 -0.666 -14.273) 16.265 7.420 ( -25.633 -3.336 -1.986) 25.925 8.592 ( 2.015 -4.119 3.450) 5.739 8.651 ( 3.763 -3.229 5.015) 7.053 8.928 ( 7.960 1.950 4.878) 9.538 13.384 ( -7.093 -1.518 -4.494) 8.533 13.449 ( -7.380 0.582 -5.631) 9.301 13.846 ( 6.788 -0.238 4.418) 8.103 13.960 ( 0.610 0.551 -7.039) 7.087 14.298 ( -2.402 2.198 -1.942) 3.790 14.442 ( -1.372 0.165 -1.401) 1.968 15.994 ( -7.371 -0.359 0.368) 7.389 16.088 ( 2.483 -0.405 11.490) 11.762 16.618 ( 9.766 -2.697 -2.050) 10.337 16.874 ( 4.458 -2.826 -4.455) 6.907 17.126 ( -1.007 -0.754 9.785) 9.865 17.406 ( -2.552 4.115 4.305) 6.479 17.496 ( 0.515 3.339 5.119) 6.134 17.600 ( -0.903 -2.228 0.315) 2.425 17.790 ( -2.155 1.657 -2.107) 3.439 17.993 ( -1.791 -1.384 0.538) 2.327 18.101 ( -3.454 -2.234 -0.189) 4.117 18.194 ( 1.621 -0.904 2.692) 3.269 ======================= Grid point 353 (128/189) ======================= q-point: (-0.17 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.414 ( -27.049 -6.605 5.778) 28.437 3.923 ( -37.284 0.628 -1.521) 37.320 4.811 ( 16.597 -0.659 2.280) 16.766 5.704 ( 9.729 3.478 6.029) 11.962 5.910 ( 5.843 -1.275 -6.434) 8.784 6.293 ( -5.651 0.964 -4.700) 7.413 6.562 ( -5.535 5.752 -0.010) 7.983 6.954 ( 10.596 6.587 -5.777) 13.749 7.368 ( 13.602 6.424 -12.978) 19.867 8.538 ( -6.102 2.219 -0.371) 6.504 8.739 ( 9.123 -11.217 6.407) 15.815 9.087 ( 7.305 -0.838 2.312) 7.708 13.181 ( -10.873 1.876 -5.946) 12.533 13.351 ( -6.589 2.414 0.842) 7.068 13.885 ( -3.084 -0.335 -1.988) 3.685 13.991 ( 5.248 0.816 -0.515) 5.336 14.239 ( -4.837 2.708 -3.949) 6.806 14.417 ( -2.252 1.131 0.479) 2.566 15.890 ( -4.330 -1.706 2.656) 5.358 16.186 ( 3.541 -3.844 8.844) 10.273 16.743 ( 8.632 -3.242 -5.846) 10.918 16.936 ( 8.287 0.655 -1.541) 8.454 17.171 ( 1.200 -0.916 7.924) 8.066 17.389 ( -3.828 -1.008 0.684) 4.017 17.465 ( -4.212 -1.879 0.542) 4.644 17.640 ( 1.908 -0.365 5.555) 5.885 17.734 ( -4.093 0.069 -1.983) 4.549 17.939 ( -3.653 -4.133 3.646) 6.612 18.043 ( 0.154 0.393 1.109) 1.187 18.271 ( 5.230 1.276 -0.216) 5.388 ======================= Grid point 360 (129/189) ======================= q-point: ( 0.42 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.976 ( -0.000 12.907 39.541) 41.595 3.542 ( -0.000 14.644 32.394) 35.550 5.175 ( -0.000 13.815 4.824) 14.633 5.483 ( 0.000 4.902 -12.563) 13.485 5.569 ( 0.000 -5.005 -32.184) 32.571 5.706 ( -0.000 -3.303 3.960) 5.157 7.159 ( 0.000 -21.602 -6.092) 22.445 7.194 ( 0.000 -22.843 -10.451) 25.121 7.606 ( -0.000 -10.895 4.852) 11.927 8.394 ( -0.000 2.239 7.190) 7.531 8.868 ( 0.000 9.103 -13.090) 15.944 9.074 ( 0.000 5.953 -1.816) 6.224 13.237 ( -0.000 -7.855 13.159) 15.325 13.302 ( -0.000 -1.642 6.559) 6.762 13.794 ( -0.000 0.387 1.077) 1.144 13.926 ( -0.000 3.120 11.208) 11.634 14.112 ( 0.000 0.926 -1.031) 1.385 14.399 ( 0.000 -3.992 -1.559) 4.286 16.341 ( -0.000 3.666 3.121) 4.815 16.527 ( 0.000 2.679 -0.328) 2.699 16.528 ( -0.000 -1.343 0.596) 1.470 16.762 ( 0.000 1.680 -11.470) 11.592 16.996 ( 0.000 8.245 -4.779) 9.529 17.314 ( 0.000 6.239 -0.771) 6.287 17.525 ( -0.000 0.554 7.264) 7.286 17.593 ( -0.000 0.591 1.315) 1.441 17.814 ( 0.000 -6.762 -3.161) 7.465 17.825 ( -0.000 6.043 0.588) 6.072 18.294 ( 0.000 2.190 -5.503) 5.922 18.344 ( 0.000 -2.486 -2.831) 3.768 ======================= Grid point 361 (130/189) ======================= q-point: ( 0.50 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.341 ( 0.978 15.167 34.648) 37.835 3.932 ( 8.111 13.723 28.822) 32.936 5.250 ( -3.627 -2.454 -14.194) 14.855 5.293 ( 0.544 0.463 -18.825) 18.838 5.491 ( 1.508 8.254 -8.688) 12.078 5.769 ( 3.472 2.050 -0.309) 4.044 6.856 ( -8.556 -18.940 -3.613) 21.095 6.884 ( -2.037 -22.686 -11.082) 25.330 7.650 ( 12.209 -12.742 10.724) 20.650 8.476 ( 1.733 3.234 5.453) 6.572 8.859 ( -3.310 10.169 -10.711) 15.136 9.057 ( -6.466 3.279 -2.933) 7.821 13.258 ( 2.889 -8.225 11.773) 14.649 13.362 ( 4.442 -1.996 5.747) 7.533 13.787 ( 0.115 -1.162 -1.455) 1.866 14.001 ( -1.413 1.407 7.524) 7.783 14.128 ( 2.580 0.025 -1.128) 2.816 14.379 ( 2.339 -2.180 -1.145) 3.396 16.365 ( -4.714 3.285 5.194) 7.745 16.433 ( -7.418 -2.075 -0.023) 7.703 16.550 ( -1.467 3.248 -1.584) 3.900 16.741 ( 3.743 1.264 -11.714) 12.362 17.051 ( -0.583 8.184 -0.817) 8.246 17.350 ( -0.957 5.486 -2.620) 6.155 17.569 ( -1.420 2.267 5.704) 6.300 17.617 ( 1.976 -0.208 -0.173) 1.994 17.744 ( -0.280 -4.264 -0.684) 4.328 17.888 ( 0.829 5.293 -0.568) 5.387 18.276 ( -1.927 1.909 -1.824) 3.268 18.312 ( 0.655 -2.180 -2.014) 3.039 ======================= Grid point 362 (131/189) ======================= q-point: ( 0.58 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.703 ( 3.937 13.990 25.461) 29.317 4.381 ( 11.753 11.734 21.808) 27.412 4.948 ( -9.673 -7.665 -11.430) 16.821 5.336 ( 4.654 9.927 -11.354) 15.784 5.572 ( 7.505 1.918 -8.598) 11.572 5.776 ( -5.763 3.919 -5.642) 8.967 6.548 ( -5.938 -13.595 -2.884) 15.113 6.609 ( 1.577 -18.487 -10.246) 21.196 7.855 ( 17.851 -13.743 14.013) 26.532 8.566 ( 1.753 3.751 3.239) 5.257 8.797 ( -10.954 6.617 -7.334) 14.750 8.905 ( -8.966 2.708 -4.268) 10.293 13.316 ( 5.263 -7.487 9.240) 13.005 13.464 ( 6.266 -1.835 3.867) 7.588 13.761 ( -0.773 -0.815 -2.284) 2.546 13.994 ( -2.027 0.267 -1.445) 2.504 14.187 ( 3.798 -0.204 2.974) 4.829 14.411 ( 3.477 -0.346 -1.830) 3.944 16.266 ( -10.828 -2.462 7.214) 13.242 16.325 ( -5.294 0.311 1.217) 5.441 16.535 ( -2.520 3.172 -2.943) 5.007 16.741 ( 3.674 0.447 -11.958) 12.517 17.123 ( -0.560 6.426 4.675) 7.967 17.370 ( -0.839 6.244 -2.480) 6.770 17.565 ( -4.294 2.350 1.850) 5.233 17.631 ( 1.633 -2.148 -2.442) 3.639 17.754 ( 2.302 0.931 3.494) 4.286 17.940 ( 1.396 3.469 -2.069) 4.274 18.245 ( -2.166 -0.594 0.514) 2.304 18.289 ( -0.871 -1.702 -0.284) 1.933 ======================= Grid point 363 (132/189) ======================= q-point: ( 0.67 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.027 ( 7.425 8.795 14.489) 18.505 4.503 ( -11.337 -4.160 -6.353) 13.645 4.946 ( 11.417 5.601 19.142) 22.981 5.445 ( -10.619 7.723 3.031) 13.475 5.605 ( -1.867 9.016 -16.397) 18.805 5.646 ( 8.906 -3.667 -7.729) 12.349 6.421 ( 3.653 -4.844 -4.516) 7.564 6.509 ( 9.158 -7.566 -9.362) 15.125 8.100 ( 18.086 -15.814 12.473) 27.070 8.428 ( -25.306 0.417 -5.076) 25.813 8.695 ( 3.843 1.451 3.170) 5.189 8.834 ( -4.826 6.768 -4.464) 9.435 13.387 ( 4.753 -5.183 5.704) 9.054 13.556 ( 4.638 -1.851 -1.470) 5.206 13.728 ( -1.571 0.690 1.336) 2.175 13.946 ( -1.066 1.026 -6.287) 6.459 14.272 ( 3.504 0.255 4.145) 5.434 14.442 ( 1.803 0.484 -3.654) 4.103 16.139 ( -6.852 -2.686 8.416) 11.180 16.239 ( -5.687 -1.206 1.487) 6.001 16.496 ( -2.422 1.198 -1.312) 3.004 16.728 ( 3.743 -0.704 -11.142) 11.775 17.195 ( -1.826 2.809 9.265) 9.852 17.422 ( 0.903 6.690 -0.591) 6.777 17.529 ( -3.556 3.752 0.151) 5.172 17.604 ( 0.926 -4.002 -4.043) 5.764 17.832 ( 0.811 3.411 4.009) 5.326 17.976 ( 1.986 1.900 -2.951) 4.033 18.199 ( -2.488 -2.558 1.985) 4.084 18.238 ( -2.751 -3.078 0.273) 4.138 ======================= Grid point 364 (133/189) ======================= q-point: (-0.25 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.145 ( -15.619 -1.516 1.195) 15.738 4.333 ( 9.465 -0.461 3.201) 10.002 5.032 ( -28.777 0.370 -0.283) 28.781 5.315 ( 13.117 -5.112 10.477) 17.549 5.691 ( 4.175 6.489 -3.105) 8.317 5.869 ( 15.489 12.624 -6.019) 20.869 6.482 ( 7.833 2.744 -4.449) 9.417 6.645 ( 15.224 4.705 -11.164) 19.456 7.905 ( -32.531 -0.982 -2.013) 32.608 8.286 ( 16.245 -18.388 6.837) 25.471 8.765 ( -4.726 5.301 -0.824) 7.150 8.843 ( 5.994 0.713 2.122) 6.398 13.428 ( 0.138 -1.307 2.585) 2.900 13.513 ( -3.894 0.463 -7.338) 8.320 13.788 ( 3.971 0.916 6.333) 7.531 13.918 ( 0.710 2.092 -6.698) 7.053 14.338 ( 0.311 1.737 2.312) 2.909 14.434 ( 0.243 0.076 -3.729) 3.738 16.083 ( -4.347 -1.880 3.769) 6.053 16.141 ( -3.165 -4.139 3.718) 6.401 16.498 ( 1.721 1.120 1.874) 2.780 16.727 ( 5.215 -1.940 -8.213) 9.920 17.218 ( -3.332 -0.955 10.400) 10.963 17.478 ( -0.411 0.072 -3.701) 3.725 17.531 ( -1.153 3.848 -0.663) 4.071 17.563 ( 1.765 -0.826 0.842) 2.123 17.872 ( -2.799 3.460 3.225) 5.496 18.000 ( 0.780 -0.032 -1.555) 1.740 18.139 ( -4.318 -1.752 -0.704) 4.713 18.164 ( 0.356 -4.955 2.268) 5.461 ======================= Grid point 365 (134/189) ======================= q-point: (-0.17 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.832 ( -22.365 0.497 6.522) 23.301 4.495 ( -20.888 -4.953 0.378) 21.470 4.551 ( 2.023 1.785 -1.980) 3.347 5.455 ( 13.152 -16.438 0.257) 21.053 5.873 ( 4.814 13.363 2.444) 14.413 6.165 ( 12.512 5.383 -7.401) 15.501 6.671 ( 5.833 13.028 -2.018) 14.416 6.882 ( 10.801 10.418 -10.901) 18.548 7.421 ( -21.895 3.429 3.532) 22.442 8.390 ( 14.596 -18.459 2.846) 23.704 8.703 ( -6.235 3.445 -1.137) 7.214 8.966 ( 6.981 -2.758 2.268) 7.841 13.344 ( -8.948 3.687 -4.210) 10.554 13.464 ( -2.547 2.895 0.564) 3.897 13.900 ( 2.542 1.171 3.627) 4.582 13.925 ( 2.533 2.682 -3.830) 5.318 14.322 ( -4.311 3.337 -3.130) 6.286 14.437 ( 1.028 -0.240 1.155) 1.564 15.966 ( -6.293 -1.723 -1.744) 6.753 16.135 ( 2.596 -7.412 7.211) 10.663 16.580 ( 5.010 1.347 -0.921) 5.269 16.781 ( 8.352 -1.950 -2.787) 9.018 17.213 ( -1.960 -2.437 9.012) 9.539 17.376 ( -2.079 -6.377 -7.233) 9.864 17.525 ( -2.825 1.219 1.822) 3.576 17.621 ( 1.449 -1.887 2.170) 3.221 17.850 ( -5.510 3.554 2.885) 7.164 17.975 ( -2.064 -2.510 2.401) 4.040 18.054 ( -1.814 -1.077 -0.641) 2.205 18.188 ( 4.437 -1.807 -0.437) 4.811 ======================= Grid point 373 (135/189) ======================= q-point: ( 0.50 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.679 ( -0.000 11.524 35.041) 36.888 4.131 ( -0.000 9.048 23.162) 24.867 5.107 ( 0.000 -1.159 -28.806) 28.829 5.186 ( 0.000 4.888 -15.504) 16.257 5.554 ( 0.000 8.602 -8.884) 12.366 5.783 ( -0.000 4.036 7.970) 8.933 6.622 ( 0.000 -22.939 -9.108) 24.681 6.756 ( 0.000 -16.177 -0.967) 16.206 7.469 ( -0.000 -17.192 15.054) 22.852 8.524 ( -0.000 3.609 3.570) 5.076 8.919 ( 0.000 10.354 -9.915) 14.336 9.131 ( 0.000 3.718 -3.564) 5.150 13.220 ( -0.000 -9.182 11.274) 14.540 13.344 ( -0.000 -2.087 6.254) 6.593 13.765 ( 0.000 -1.464 -0.952) 1.746 14.077 ( -0.000 -0.724 8.902) 8.931 14.083 ( 0.000 -0.048 -4.287) 4.287 14.332 ( 0.000 -1.851 -0.094) 1.853 16.411 ( 0.000 1.304 -7.103) 7.222 16.538 ( -0.000 -0.864 10.654) 10.689 16.576 ( 0.000 2.742 -6.552) 7.102 16.650 ( 0.000 2.613 -7.902) 8.323 17.141 ( -0.000 9.558 0.955) 9.605 17.384 ( 0.000 5.156 -4.712) 6.985 17.590 ( 0.000 -0.617 -1.964) 2.058 17.630 ( -0.000 2.157 5.148) 5.581 17.711 ( 0.000 -2.606 -0.205) 2.614 17.918 ( 0.000 3.909 -1.670) 4.251 18.257 ( 0.000 -3.328 -2.498) 4.161 18.321 ( -0.000 3.040 0.183) 3.046 ======================= Grid point 374 (136/189) ======================= q-point: ( 0.58 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.939 ( -1.276 4.849 27.062) 27.522 4.380 ( 9.825 2.657 12.455) 16.085 4.932 ( -4.227 1.613 -16.562) 17.168 5.219 ( 7.565 8.176 -14.579) 18.347 5.557 ( -1.267 9.845 -9.465) 13.716 5.877 ( -2.374 6.548 4.323) 8.197 6.377 ( 0.246 -17.527 -4.172) 18.019 6.550 ( -7.998 -11.696 2.768) 14.437 7.517 ( 14.047 -19.330 15.739) 28.613 8.580 ( 1.503 2.443 1.306) 3.152 8.937 ( -2.912 9.989 -8.576) 13.483 9.063 ( -8.887 2.149 -4.241) 10.078 13.227 ( 3.274 -8.758 10.253) 13.876 13.389 ( 3.559 -2.444 5.017) 6.619 13.753 ( 0.028 -0.339 -0.185) 0.387 14.021 ( -2.815 -0.376 -3.380) 4.415 14.149 ( 3.334 -1.338 5.373) 6.463 14.347 ( 2.625 -0.519 0.560) 2.734 16.313 ( -4.126 -3.824 -7.032) 9.005 16.517 ( -5.425 2.676 4.061) 7.286 16.558 ( -1.244 0.340 -6.643) 6.767 16.668 ( -0.003 4.004 -2.165) 4.552 17.235 ( -1.123 8.596 4.440) 9.740 17.401 ( 0.419 5.207 -5.904) 7.883 17.571 ( 0.605 -1.475 -3.732) 4.059 17.653 ( -2.734 0.979 0.952) 3.056 17.727 ( 3.737 0.423 2.810) 4.694 17.942 ( 0.456 2.828 -2.184) 3.601 18.213 ( 0.399 -4.054 -1.604) 4.378 18.333 ( -1.822 1.535 0.633) 2.465 ======================= Grid point 375 (137/189) ======================= q-point: ( 0.67 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.068 ( 2.240 -2.941 12.936) 13.454 4.537 ( 1.138 0.772 -8.183) 8.298 4.872 ( 5.407 -6.884 8.796) 12.410 5.395 ( 11.960 10.947 -10.773) 19.466 5.628 ( 1.226 15.979 -6.325) 17.230 5.792 ( -14.183 1.587 -2.001) 14.411 6.312 ( 3.847 -2.795 3.117) 5.685 6.390 ( -3.310 -3.460 5.401) 7.217 7.692 ( 18.670 -20.760 12.039) 30.405 8.638 ( 3.072 0.995 0.316) 3.245 8.795 ( -18.525 2.258 -5.756) 19.530 8.946 ( -4.284 6.964 -5.326) 9.759 13.283 ( 5.707 -7.163 8.580) 12.550 13.458 ( 4.746 -2.491 1.540) 5.577 13.761 ( -0.160 1.367 1.993) 2.422 13.952 ( -2.510 1.072 -5.383) 6.035 14.231 ( 4.395 -1.589 5.176) 6.974 14.395 ( 2.554 0.782 -0.539) 2.725 16.168 ( -3.115 -6.283 -3.000) 7.628 16.415 ( -11.217 0.247 3.146) 11.652 16.524 ( 1.604 1.159 -6.706) 6.991 16.673 ( -2.771 4.996 -2.728) 6.331 17.313 ( -2.062 4.500 8.313) 9.675 17.427 ( 1.775 3.882 -6.881) 8.097 17.533 ( 0.350 -2.755 -3.646) 4.583 17.616 ( -3.210 3.178 -1.525) 4.768 17.826 ( 5.030 0.582 2.279) 5.553 17.962 ( 0.268 2.736 -1.652) 3.208 18.170 ( 0.111 -5.185 -0.064) 5.187 18.292 ( -3.787 -0.739 -0.275) 3.868 ======================= Grid point 376 (138/189) ======================= q-point: (-0.25 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.140 ( 8.108 -8.347 2.145) 11.832 4.404 ( -11.994 4.292 -4.720) 13.586 4.976 ( 15.278 -21.344 5.467) 26.812 5.456 ( -22.145 0.223 -4.422) 22.583 5.688 ( 12.379 12.133 -1.095) 17.368 5.804 ( 1.977 17.562 -0.418) 17.678 6.452 ( 8.217 8.529 1.234) 11.907 6.466 ( 4.183 8.885 5.415) 11.214 7.842 ( 17.986 -22.500 4.941) 29.227 8.385 ( -27.245 1.562 -4.190) 27.610 8.734 ( 6.232 -1.166 1.913) 6.622 8.904 ( -5.264 5.986 -3.889) 8.869 13.373 ( 6.131 -4.536 6.493) 10.017 13.495 ( 1.726 -0.797 -3.079) 3.618 13.805 ( 0.991 2.403 5.256) 5.864 13.904 ( -1.052 2.964 -6.214) 6.965 14.319 ( 4.620 -1.644 4.295) 6.519 14.422 ( -0.124 1.962 -2.384) 3.090 16.075 ( 0.284 -7.526 1.724) 7.726 16.233 ( -10.216 -1.149 -2.403) 10.558 16.542 ( 2.181 0.830 0.169) 2.339 16.647 ( -3.735 5.400 -3.609) 7.492 17.333 ( -4.239 -1.241 10.042) 10.970 17.401 ( 0.354 -3.499 -9.608) 10.231 17.537 ( 2.779 1.404 -0.489) 3.151 17.599 ( -2.154 4.238 -1.842) 5.098 17.915 ( 4.496 -0.366 0.325) 4.523 17.977 ( -1.011 2.519 -0.541) 2.768 18.120 ( -0.143 -5.667 1.375) 5.833 18.198 ( -5.103 -1.949 -1.391) 5.636 ======================= Grid point 377 (139/189) ======================= q-point: (-0.17 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 440 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.213 ( 11.976 -10.785 -4.720) 16.794 4.213 ( -15.328 4.979 4.720) 16.794 5.032 ( 9.502 -19.613 -0.184) 21.794 5.032 ( -21.736 -1.578 0.184) 21.794 5.983 ( 9.673 8.650 -7.565) 15.020 5.983 ( 2.655 12.702 7.565) 15.020 6.728 ( 12.750 14.640 -7.201) 20.706 6.728 ( 6.303 18.362 7.201) 20.706 7.924 ( 15.207 -21.639 -1.697) 26.502 7.924 ( -26.343 2.350 1.697) 26.502 8.836 ( -4.536 2.708 -2.710) 5.937 8.836 ( 4.613 -2.575 2.710) 5.937 13.465 ( -1.997 2.254 -5.052) 5.882 13.465 ( 2.950 -0.603 5.052) 5.882 13.899 ( 0.959 3.848 -6.315) 7.457 13.899 ( 2.852 2.755 6.315) 7.457 14.397 ( -2.037 1.933 -4.005) 4.892 14.397 ( 2.693 -0.798 4.005) 4.892 16.048 ( -7.008 -2.271 -4.678) 8.726 16.048 ( 1.537 -7.204 4.678) 8.726 16.619 ( 2.488 1.638 -7.114) 7.713 16.619 ( 0.174 2.974 7.114) 7.713 17.291 ( -1.061 -5.573 -8.843) 10.506 17.291 ( -4.296 -3.706 8.843) 10.506 17.584 ( 1.686 -1.772 -0.359) 2.472 17.584 ( -2.378 0.575 0.359) 2.472 17.962 ( 1.468 -1.049 -2.404) 3.006 17.962 ( -1.643 0.747 2.404) 3.006 18.096 ( -3.971 -0.269 -0.623) 4.029 18.096 ( 1.752 -3.574 0.623) 4.029 ======================= Grid point 387 (140/189) ======================= q-point: ( 0.58 0.58 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.109 ( -0.000 -8.403 23.789) 25.229 4.299 ( 0.000 -4.598 -0.414) 4.616 4.916 ( 0.000 4.398 -13.985) 14.660 5.165 ( 0.000 13.607 -13.062) 18.861 5.602 ( 0.000 12.967 -10.912) 16.947 6.006 ( -0.000 4.286 4.486) 6.205 6.260 ( -0.000 -4.878 7.988) 9.360 6.582 ( -0.000 -5.042 8.204) 9.629 7.278 ( -0.000 -24.560 16.472) 29.573 8.581 ( 0.000 0.580 -1.362) 1.480 9.000 ( 0.000 9.351 -7.841) 12.203 9.134 ( 0.000 2.317 -5.184) 5.678 13.176 ( -0.000 -9.170 10.404) 13.868 13.363 ( -0.000 -3.353 4.755) 5.818 13.759 ( -0.000 0.810 1.990) 2.149 14.022 ( 0.000 0.822 -5.970) 6.026 14.129 ( -0.000 -3.486 7.129) 7.936 14.335 ( -0.000 0.182 2.668) 2.674 16.267 ( 0.000 -4.345 -8.840) 9.850 16.445 ( 0.000 2.430 -16.034) 16.217 16.693 ( -0.000 3.001 -0.213) 3.008 16.694 ( -0.000 2.172 10.426) 10.650 17.364 ( -0.000 8.965 5.755) 10.653 17.395 ( 0.000 3.724 -7.953) 8.782 17.532 ( 0.000 -0.950 -4.608) 4.705 17.688 ( 0.000 0.599 -1.286) 1.419 17.692 ( -0.000 -0.764 0.863) 1.152 17.954 ( 0.000 2.949 -1.188) 3.179 18.161 ( 0.000 -4.035 -1.723) 4.387 18.357 ( 0.000 -0.223 -0.341) 0.407 ======================= Grid point 388 (141/189) ======================= q-point: (-0.33 -0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.039 ( -2.156 -16.015 7.852) 17.966 4.345 ( 11.923 -11.634 0.749) 16.675 4.825 ( -4.317 0.615 -11.750) 12.533 5.306 ( 7.309 15.851 -8.816) 19.555 5.719 ( 2.256 19.738 -7.371) 21.190 5.972 ( -6.685 -0.690 2.649) 7.224 6.363 ( -0.477 7.844 11.561) 13.979 6.552 ( -8.479 1.904 16.966) 19.062 7.269 ( 15.159 -24.978 12.128) 31.635 8.582 ( 2.345 -1.261 -2.412) 3.593 9.011 ( -6.002 6.710 -7.327) 11.607 9.045 ( -6.493 3.217 -5.125) 8.875 13.183 ( 3.761 -8.679 9.668) 13.526 13.378 ( 2.933 -3.744 2.831) 5.535 13.792 ( 0.205 1.790 3.918) 4.313 13.977 ( -2.421 1.889 -4.816) 5.712 14.169 ( 3.654 -3.441 5.467) 7.422 14.372 ( 1.889 0.481 2.530) 3.194 16.137 ( -3.122 -5.000 -7.273) 9.362 16.399 ( 1.749 2.003 -15.044) 15.278 16.641 ( -7.842 2.429 3.636) 8.979 16.774 ( -1.381 3.962 5.090) 6.596 17.376 ( 0.685 1.462 -9.486) 9.622 17.447 ( -2.841 4.540 7.183) 8.960 17.491 ( -0.141 -0.779 -4.201) 4.275 17.671 ( -1.699 3.384 -3.642) 5.254 17.727 ( 5.580 -2.729 -0.890) 6.275 17.983 ( 0.214 3.183 0.102) 3.192 18.118 ( 0.438 -4.039 -0.847) 4.150 18.322 ( -2.070 -2.117 -1.842) 3.487 ======================= Grid point 389 (142/189) ======================= q-point: (-0.25 -0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.906 ( 4.556 -18.984 -1.341) 19.569 4.438 ( 15.255 -17.174 1.355) 23.010 4.667 ( -7.577 0.008 -7.081) 10.371 5.557 ( 9.475 14.133 -7.564) 18.621 5.777 ( -12.256 3.349 0.261) 12.708 5.976 ( 0.876 18.775 2.886) 19.015 6.474 ( 0.120 6.796 9.661) 11.812 6.644 ( -1.345 11.878 16.942) 20.735 7.367 ( 16.168 -21.985 4.182) 27.609 8.613 ( 4.416 -2.683 -1.069) 5.277 8.767 ( -18.185 2.215 -5.621) 19.162 9.014 ( -4.003 6.376 -4.363) 8.701 13.248 ( 6.760 -7.512 7.907) 12.832 13.417 ( 4.257 -2.791 0.258) 5.097 13.844 ( 0.802 1.824 5.061) 5.439 13.933 ( -2.508 3.448 -4.464) 6.173 14.240 ( 4.938 -2.867 4.180) 7.077 14.422 ( 1.677 0.756 0.867) 2.034 16.018 ( -1.190 -5.601 -2.602) 6.290 16.310 ( -4.131 -0.798 -11.571) 12.313 16.575 ( -5.458 4.751 2.459) 7.642 16.794 ( -4.505 5.496 3.344) 7.854 17.312 ( -0.475 -2.278 -10.265) 10.525 17.439 ( -3.367 -2.654 5.968) 7.348 17.494 ( 1.797 0.945 -1.016) 2.270 17.653 ( -1.985 4.400 -4.886) 6.868 17.794 ( 6.227 -3.059 -1.487) 7.095 18.005 ( -0.090 0.845 -0.533) 1.003 18.088 ( -0.330 -3.434 0.889) 3.562 18.241 ( -3.310 -1.272 -2.379) 4.270 ======================= Grid point 400 (143/189) ======================= q-point: (-0.33 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.924 ( -0.000 -26.989 7.679) 28.060 4.041 ( 0.000 -21.108 -4.489) 21.580 4.841 ( 0.000 10.697 -14.941) 18.376 5.345 ( 0.000 15.251 -6.265) 16.488 5.871 ( 0.000 24.163 -4.357) 24.552 6.048 ( -0.000 0.798 5.420) 5.478 6.544 ( -0.000 11.650 12.761) 17.279 6.858 ( -0.000 12.649 22.961) 26.214 6.896 ( -0.000 -33.798 10.122) 35.281 8.521 ( 0.000 -2.901 -3.924) 4.880 9.077 ( 0.000 7.807 -6.109) 9.913 9.094 ( 0.000 1.073 -6.826) 6.910 13.124 ( -0.000 -9.303 9.564) 13.343 13.331 ( -0.000 -4.592 2.655) 5.304 13.834 ( -0.000 1.113 5.446) 5.559 13.998 ( 0.000 3.707 -4.392) 5.748 14.133 ( -0.000 -4.381 6.429) 7.780 14.371 ( -0.000 -0.806 2.719) 2.835 16.068 ( 0.000 -4.823 -8.909) 10.131 16.330 ( 0.000 4.407 -13.609) 14.304 16.756 ( -0.000 5.383 0.168) 5.386 16.849 ( -0.000 1.788 8.345) 8.534 17.323 ( 0.000 0.250 -9.968) 9.971 17.443 ( 0.000 -1.289 -5.656) 5.801 17.586 ( -0.000 2.253 10.137) 10.384 17.605 ( 0.000 -5.318 -4.431) 6.922 17.695 ( 0.000 5.580 -6.726) 8.740 18.017 ( -0.000 2.693 1.108) 2.912 18.071 ( 0.000 -3.281 -1.216) 3.500 18.298 ( 0.000 -2.618 -3.391) 4.284 ======================= Grid point 401 (144/189) ======================= q-point: (-0.25 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.641 ( -0.814 -27.803 -1.216) 27.842 3.932 ( 14.802 -30.257 -0.271) 33.685 4.836 ( -6.231 14.736 -9.329) 18.521 5.517 ( 6.841 15.255 -5.287) 17.535 5.999 ( -8.237 7.153 1.533) 11.016 6.138 ( 2.586 17.729 1.517) 17.981 6.586 ( -1.855 -19.385 10.974) 22.353 6.779 ( 3.037 5.463 10.808) 12.485 7.158 ( 2.795 9.750 18.027) 20.684 8.498 ( 3.844 -3.716 -2.541) 5.920 8.975 ( -9.664 1.164 -7.575) 12.334 9.099 ( -2.006 6.786 -4.514) 8.394 13.126 ( 4.150 -9.117 8.403) 13.075 13.324 ( 2.970 -4.650 1.238) 5.655 13.870 ( 0.329 -1.173 5.320) 5.458 13.992 ( -2.507 4.380 -2.292) 5.543 14.167 ( 3.694 -3.166 5.209) 7.127 14.391 ( 2.195 -1.651 1.413) 3.089 15.963 ( -1.000 -4.221 -6.701) 7.983 16.285 ( -1.378 2.871 -11.736) 12.161 16.766 ( -6.731 7.520 3.870) 10.808 16.905 ( -0.967 3.412 4.294) 5.569 17.250 ( -0.951 -1.096 -9.923) 10.028 17.405 ( 1.420 -1.821 -4.756) 5.286 17.514 ( -1.059 -4.345 -0.748) 4.535 17.656 ( 1.578 -2.409 0.945) 3.031 17.717 ( 0.140 5.110 -3.014) 5.934 18.006 ( -1.318 -0.980 -1.414) 2.168 18.061 ( 0.771 -2.718 0.051) 2.825 18.257 ( -0.807 1.462 -2.864) 3.315 ======================= Grid point 413 (145/189) ======================= q-point: (-0.25 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.415 ( -0.000 -33.267 5.421) 33.706 3.437 ( 0.000 -32.955 -6.531) 33.596 4.992 ( 0.000 17.412 -8.397) 19.331 5.579 ( 0.000 15.758 -2.765) 15.999 6.090 ( 0.000 -27.261 -5.141) 27.741 6.192 ( -0.000 6.874 6.297) 9.322 6.438 ( -0.000 7.903 1.704) 8.084 6.984 ( -0.000 16.218 15.675) 22.556 7.426 ( -0.000 15.741 22.421) 27.395 8.407 ( 0.000 -4.078 -2.817) 4.956 9.009 ( 0.000 -0.180 -8.698) 8.699 9.154 ( 0.000 7.147 -4.073) 8.226 13.053 ( -0.000 -9.492 8.032) 12.434 13.255 ( -0.000 -5.908 0.727) 5.952 13.870 ( -0.000 -5.338 5.309) 7.528 14.053 ( 0.000 5.212 -1.792) 5.511 14.134 ( -0.000 -3.907 6.358) 7.462 14.352 ( -0.000 -3.121 0.808) 3.224 15.895 ( 0.000 -2.095 -7.901) 8.174 16.263 ( 0.000 3.166 -9.770) 10.271 16.933 ( -0.000 -1.602 3.524) 3.870 16.965 ( -0.000 14.600 3.874) 15.105 17.192 ( 0.000 -1.179 -8.007) 8.094 17.344 ( 0.000 -1.951 -5.228) 5.580 17.431 ( 0.000 -5.616 -5.634) 7.955 17.643 ( -0.000 -3.520 4.094) 5.399 17.756 ( 0.000 5.398 -3.824) 6.615 17.988 ( 0.000 -6.684 -1.578) 6.867 18.031 ( 0.000 1.254 -1.142) 1.696 18.281 ( 0.000 6.093 -1.920) 6.388 ======================= Grid point 480 (146/189) ======================= q-point: ( 0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.373 ( -0.000 0.000 41.552) 41.552 2.373 ( -0.000 0.000 41.552) 41.552 3.257 ( -0.000 0.000 55.901) 55.901 5.971 ( 0.000 -0.000 -22.981) 22.981 5.971 ( 0.000 -0.000 -22.981) 22.981 5.987 ( 0.000 -0.000 -0.778) 0.778 7.865 ( 0.000 -0.000 -12.208) 12.208 8.179 ( -0.000 0.000 1.036) 1.036 8.179 ( -0.000 -0.000 1.036) 1.036 8.499 ( 0.000 -0.000 -1.790) 1.790 8.499 ( 0.000 -0.000 -1.790) 1.790 8.955 ( 0.000 -0.000 -22.719) 22.719 13.077 ( -0.000 0.000 13.799) 13.799 13.238 ( -0.000 0.000 15.450) 15.450 13.238 ( -0.000 0.000 15.450) 15.450 13.850 ( -0.000 0.000 8.181) 8.181 13.850 ( -0.000 0.000 8.181) 8.181 14.635 ( 0.000 -0.000 -1.041) 1.041 16.372 ( 0.000 -0.000 -8.587) 8.587 16.570 ( -0.000 0.000 3.528) 3.528 16.570 ( -0.000 0.000 3.528) 3.528 16.826 ( 0.000 -0.000 -18.407) 18.407 16.875 ( 0.000 -0.000 -1.619) 1.619 16.875 ( 0.000 -0.000 -1.619) 1.619 17.479 ( -0.000 0.000 9.295) 9.295 17.579 ( -0.000 0.000 1.742) 1.742 17.579 ( -0.000 0.000 1.742) 1.742 18.388 ( 0.000 -0.000 -13.306) 13.306 18.388 ( 0.000 -0.000 -13.306) 13.306 18.469 ( 0.000 -0.000 -3.330) 3.330 ======================= Grid point 481 (147/189) ======================= q-point: ( 0.33 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.395 ( -13.087 -7.556 44.509) 47.004 2.717 ( 7.998 4.618 39.296) 40.367 3.931 ( 25.173 14.534 45.837) 54.277 5.668 ( -9.554 -5.516 -16.579) 19.914 5.920 ( 3.900 2.252 -24.451) 24.863 6.006 ( 1.502 0.867 -7.973) 8.159 7.795 ( -1.166 -0.673 -11.085) 11.166 7.920 ( -13.283 -7.669 -0.395) 15.343 8.175 ( -14.667 -8.468 -4.843) 17.615 8.351 ( 5.687 3.284 3.576) 7.478 8.667 ( 2.764 1.596 -7.741) 8.374 8.871 ( 5.232 3.021 -15.721) 16.842 13.218 ( 3.800 2.194 12.702) 13.439 13.302 ( 0.883 0.510 16.967) 16.998 13.387 ( 2.802 1.618 14.251) 14.614 13.844 ( -1.625 -0.938 6.983) 7.230 13.984 ( 4.691 2.708 6.553) 8.502 14.598 ( -2.182 -1.260 -2.627) 3.640 16.297 ( -2.313 -1.336 -5.616) 6.219 16.506 ( -5.204 -3.005 0.604) 6.040 16.591 ( -1.431 -0.826 2.367) 2.887 16.781 ( 4.257 2.458 -13.586) 14.448 16.874 ( 2.562 1.479 -2.971) 4.193 16.935 ( 3.335 1.926 0.856) 3.945 17.491 ( -3.315 -1.914 8.836) 9.629 17.569 ( -0.038 -0.022 2.040) 2.041 17.644 ( 2.846 1.643 1.495) 3.610 18.274 ( -1.191 -0.688 -12.369) 12.445 18.287 ( -3.375 -1.949 -13.549) 14.098 18.444 ( -0.246 -0.142 -3.950) 3.960 ======================= Grid point 482 (148/189) ======================= q-point: ( 0.42 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.491 ( -0.799 -0.461 40.272) 40.282 3.178 ( 13.338 7.701 34.834) 38.087 4.723 ( 23.814 13.749 33.183) 43.096 5.374 ( -9.316 -5.378 -11.437) 15.701 5.841 ( 2.112 1.219 -23.718) 23.843 5.946 ( -1.098 -0.634 -13.804) 13.862 7.493 ( -17.921 -10.346 -4.216) 21.118 7.751 ( -8.971 -5.179 -7.895) 13.025 7.911 ( -0.654 -0.377 -4.064) 4.134 8.442 ( 0.507 0.293 -1.196) 1.332 8.617 ( 1.601 0.924 -8.304) 8.507 8.917 ( 1.850 1.068 -5.670) 6.059 13.329 ( 0.594 0.343 13.843) 13.860 13.518 ( 8.544 4.933 12.048) 15.572 13.524 ( 2.463 1.422 10.823) 11.191 13.862 ( 0.084 0.049 4.259) 4.260 14.120 ( 4.796 2.769 3.554) 6.580 14.521 ( -2.733 -1.578 -3.928) 5.039 16.217 ( -3.897 -2.250 0.291) 4.509 16.385 ( -5.476 -3.162 -0.449) 6.339 16.529 ( -3.946 -2.278 -1.065) 4.679 16.813 ( 3.981 2.298 -7.122) 8.477 16.934 ( 4.700 2.714 -3.952) 6.714 17.014 ( 2.901 1.675 1.597) 3.710 17.454 ( -4.714 -2.722 7.829) 9.535 17.609 ( 2.781 1.606 1.936) 3.750 17.712 ( 2.590 1.495 0.436) 3.022 18.100 ( -6.254 -3.610 -11.406) 13.499 18.194 ( -0.489 -0.282 -8.075) 8.095 18.416 ( -0.320 -0.185 -2.862) 2.886 ======================= Grid point 483 (149/189) ======================= q-point: ( 0.50 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.839 ( 12.343 7.126 30.727) 33.871 3.693 ( 15.638 9.029 28.956) 34.125 5.140 ( -7.705 -4.448 -3.455) 9.544 5.271 ( 8.793 5.077 15.554) 18.575 5.758 ( 4.315 2.491 -15.387) 16.174 5.791 ( -3.046 -1.759 -21.741) 22.024 7.086 ( -15.730 -9.082 -5.130) 18.874 7.464 ( -8.485 -4.899 -13.744) 16.879 8.025 ( 8.695 5.020 3.755) 10.719 8.363 ( -3.372 -1.947 -8.890) 9.705 8.674 ( 2.990 1.726 4.337) 5.543 8.839 ( -6.157 -3.555 -4.457) 8.391 13.443 ( 2.379 1.374 13.446) 13.724 13.608 ( 0.420 0.242 5.355) 5.377 13.742 ( 6.298 3.636 3.580) 8.106 13.897 ( 1.835 1.059 0.506) 2.179 14.237 ( 4.884 2.820 1.077) 5.741 14.445 ( -1.905 -1.100 -4.198) 4.739 16.099 ( -8.721 -5.035 5.681) 11.563 16.270 ( -5.271 -3.043 1.081) 6.182 16.478 ( 1.623 0.937 -2.847) 3.408 16.862 ( 2.824 1.630 -1.263) 3.497 17.019 ( 4.504 2.601 -2.222) 5.656 17.067 ( 1.227 0.709 -0.014) 1.417 17.392 ( -4.385 -2.532 6.135) 7.955 17.698 ( 4.052 2.339 1.209) 4.832 17.736 ( -1.114 -0.643 -2.060) 2.429 17.926 ( -3.418 -1.973 -4.885) 6.280 18.153 ( -0.345 -0.199 -3.246) 3.271 18.395 ( -0.757 -0.437 -0.883) 1.242 ======================= Grid point 484 (150/189) ======================= q-point: ( 0.58 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.358 ( 20.112 11.612 20.882) 31.231 4.164 ( 12.248 7.072 21.386) 25.640 5.003 ( -6.223 -3.593 7.019) 10.045 5.177 ( -15.540 -8.972 -3.241) 18.234 5.593 ( 0.821 0.474 -28.769) 28.785 5.932 ( 10.693 6.173 -0.412) 12.354 6.791 ( -6.786 -3.918 -8.616) 11.646 7.257 ( -1.201 -0.694 -18.381) 18.433 8.174 ( -11.406 -6.585 -7.598) 15.205 8.300 ( 12.089 6.980 9.865) 17.093 8.638 ( -8.098 -4.675 -2.614) 9.709 8.770 ( 2.259 1.304 7.667) 8.099 13.592 ( 4.206 2.428 11.563) 12.541 13.600 ( -2.484 -1.434 -0.222) 2.877 13.791 ( -1.109 -0.640 -7.014) 7.130 13.944 ( 3.182 1.837 -3.556) 5.113 14.346 ( 4.512 2.605 -0.067) 5.211 14.384 ( -1.691 -0.976 -3.857) 4.323 15.960 ( -6.052 -3.494 7.347) 10.140 16.164 ( -5.656 -3.265 2.451) 6.975 16.556 ( 5.074 2.930 1.040) 5.951 16.922 ( 1.948 1.124 3.820) 4.433 17.066 ( -0.136 -0.078 -2.678) 2.682 17.097 ( 2.974 1.717 1.968) 3.958 17.359 ( -1.423 -0.822 4.954) 5.220 17.645 ( -5.055 -2.918 1.058) 5.932 17.782 ( 3.319 1.916 -1.217) 4.021 17.912 ( 2.226 1.285 -1.171) 2.824 18.130 ( -1.036 -0.598 -0.279) 1.228 18.364 ( -2.303 -1.330 1.085) 2.872 ======================= Grid point 485 (151/189) ======================= q-point: ( 0.67 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.916 ( 20.427 11.793 11.335) 26.169 4.356 ( -7.270 -4.197 10.207) 13.216 4.725 ( -22.834 -13.183 0.889) 26.381 4.980 ( 3.198 1.846 7.388) 8.259 5.589 ( 13.093 7.559 -19.102) 24.361 6.085 ( 3.847 2.221 -1.546) 4.704 6.706 ( 4.657 2.689 -12.632) 13.729 7.198 ( 6.736 3.889 -21.495) 22.859 7.722 ( -25.584 -14.771 -6.771) 30.308 8.510 ( -3.552 -2.051 0.718) 4.164 8.636 ( 12.171 7.027 11.428) 18.114 8.864 ( 1.585 0.915 9.093) 9.275 13.510 ( -4.449 -2.569 -3.181) 6.043 13.611 ( -8.270 -4.774 -10.272) 14.024 13.770 ( 5.693 3.287 5.231) 8.401 13.982 ( 3.021 1.744 -7.465) 8.240 14.315 ( -2.710 -1.565 -3.392) 4.615 14.413 ( 1.687 0.974 -1.023) 2.200 15.961 ( 1.587 0.916 9.139) 9.321 16.048 ( -6.521 -3.765 3.318) 8.228 16.671 ( 4.290 2.477 1.313) 5.125 16.969 ( 0.402 0.232 0.464) 0.656 17.072 ( 1.425 0.823 3.469) 3.840 17.196 ( 3.588 2.071 8.267) 9.247 17.394 ( 2.106 1.216 4.653) 5.250 17.561 ( -4.693 -2.709 5.881) 7.996 17.817 ( 1.426 0.823 -4.904) 5.172 17.972 ( 3.635 2.099 -1.105) 4.340 18.097 ( -2.179 -1.258 0.975) 2.698 18.303 ( -4.393 -2.537 2.787) 5.788 ======================= Grid point 486 (152/189) ======================= q-point: (-0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.004 ( -21.831 -12.604 -0.888) 25.224 4.010 ( -23.219 -13.405 -1.475) 26.851 4.589 ( 13.331 7.697 12.751) 19.989 5.237 ( 13.913 8.033 6.403) 17.294 5.876 ( 18.352 10.596 -5.643) 21.930 6.129 ( 2.839 1.639 -3.762) 4.990 6.803 ( 11.011 6.357 -15.072) 19.719 7.029 ( -33.736 -19.477 -4.442) 39.207 7.276 ( 12.075 6.971 -22.487) 26.459 8.458 ( -2.797 -1.615 2.705) 4.213 8.940 ( 9.726 5.616 8.907) 14.335 8.946 ( 0.824 0.475 9.367) 9.415 13.325 ( -10.448 -6.032 -12.130) 17.108 13.382 ( -5.270 -3.042 -3.097) 6.828 13.924 ( 5.642 3.257 3.590) 7.438 13.968 ( -0.205 -0.118 -8.703) 8.706 14.231 ( -2.882 -1.664 -4.114) 5.291 14.408 ( -1.319 -0.761 -1.336) 2.026 15.937 ( -5.499 -3.175 5.364) 8.312 16.108 ( 5.243 3.027 10.495) 12.116 16.774 ( 6.382 3.685 -1.657) 7.554 16.963 ( 0.144 0.083 -3.000) 3.004 17.143 ( 0.863 0.498 8.451) 8.510 17.310 ( 1.091 0.630 8.440) 8.533 17.499 ( -4.802 -2.772 6.862) 8.822 17.528 ( 6.458 3.729 8.979) 11.672 17.779 ( -1.153 -0.666 -8.541) 8.644 18.040 ( 2.078 1.200 -1.269) 2.714 18.051 ( -2.322 -1.341 0.898) 2.827 18.227 ( -3.190 -1.842 4.378) 5.722 ======================= Grid point 493 (153/189) ======================= q-point: ( 0.33 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.704 ( -0.000 -11.956 44.712) 46.283 2.913 ( -0.000 5.842 39.135) 39.568 4.193 ( -0.000 24.427 43.006) 49.459 5.605 ( 0.000 -3.043 -23.671) 23.865 5.727 ( 0.000 1.039 -22.365) 22.389 5.954 ( 0.000 -2.229 -6.589) 6.956 7.736 ( 0.000 0.852 -9.625) 9.663 7.931 ( 0.000 -16.048 -1.502) 16.119 8.104 ( 0.000 -21.695 -6.092) 22.534 8.338 ( -0.000 3.310 5.113) 6.090 8.709 ( 0.000 4.024 -22.211) 22.573 8.738 ( 0.000 12.458 -1.699) 12.574 13.279 ( -0.000 1.022 13.375) 13.414 13.370 ( -0.000 -3.712 16.140) 16.561 13.506 ( -0.000 6.396 15.377) 16.654 13.889 ( -0.000 -2.116 6.402) 6.742 14.010 ( -0.000 3.598 5.480) 6.556 14.574 ( 0.000 -3.007 -4.193) 5.160 16.272 ( 0.000 -0.209 -5.428) 5.432 16.536 ( 0.000 -2.664 -5.666) 6.261 16.580 ( -0.000 -2.106 4.661) 5.115 16.722 ( 0.000 5.865 -9.045) 10.780 16.828 ( 0.000 -0.788 -1.148) 1.392 16.988 ( -0.000 8.664 1.242) 8.752 17.552 ( -0.000 -3.305 9.012) 9.598 17.569 ( -0.000 -0.716 1.804) 1.941 17.655 ( -0.000 3.143 1.344) 3.418 18.141 ( 0.000 -6.166 -12.337) 13.792 18.263 ( 0.000 2.662 -14.111) 14.360 18.414 ( 0.000 -0.265 -5.171) 5.178 ======================= Grid point 494 (154/189) ======================= q-point: ( 0.42 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.812 ( -6.674 -2.968 44.259) 44.857 3.287 ( 8.267 7.941 36.276) 38.044 4.767 ( 13.670 18.798 31.872) 39.447 5.379 ( -6.376 -1.575 -19.122) 20.219 5.639 ( 4.109 0.682 -27.585) 27.898 5.873 ( -0.904 -4.480 -7.571) 8.844 7.589 ( -11.414 -12.476 -5.761) 17.864 7.744 ( -4.840 -12.472 -5.146) 14.333 7.836 ( 1.444 -11.163 -4.107) 11.982 8.425 ( 2.088 0.782 2.576) 3.407 8.596 ( -2.125 6.957 -14.187) 15.943 8.876 ( 3.083 6.871 -3.990) 8.523 13.378 ( 2.315 -1.521 12.012) 12.327 13.453 ( 3.814 -4.605 14.342) 15.539 13.663 ( 0.071 7.675 12.841) 14.960 13.895 ( -1.064 -0.961 4.921) 5.125 14.094 ( 3.284 2.128 2.548) 4.670 14.504 ( -1.163 -3.032 -5.033) 5.990 16.244 ( -0.965 1.405 -2.220) 2.799 16.440 ( -4.513 -0.514 -3.905) 5.990 16.572 ( -3.182 -3.032 2.678) 5.147 16.751 ( 3.395 3.518 -6.269) 7.950 16.835 ( 2.533 0.645 -2.125) 3.369 17.080 ( -0.404 9.032 1.026) 9.099 17.545 ( -3.088 -2.787 7.833) 8.869 17.595 ( 1.603 0.325 2.301) 2.824 17.703 ( 1.425 3.099 0.406) 3.435 18.013 ( -0.402 -6.749 -10.100) 12.154 18.194 ( -1.876 3.589 -10.315) 11.081 18.385 ( 0.685 -0.229 -5.000) 5.052 ======================= Grid point 495 (155/189) ======================= q-point: ( 0.50 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.022 ( 0.078 6.446 38.806) 39.338 3.743 ( 11.564 10.168 31.257) 34.845 5.175 ( -4.844 -0.112 -12.249) 13.173 5.269 ( 9.367 6.801 14.751) 18.751 5.538 ( 7.254 -1.511 -23.608) 24.743 5.747 ( -4.287 -0.595 -12.632) 13.353 7.189 ( -14.757 -15.787 -4.794) 22.136 7.410 ( -7.184 -17.529 -10.067) 21.453 7.938 ( 9.706 2.668 4.333) 10.959 8.400 ( -4.620 6.554 -9.851) 12.702 8.637 ( 4.621 0.560 2.703) 5.383 8.885 ( -4.086 1.444 -4.373) 6.156 13.474 ( 2.905 -2.453 12.774) 13.327 13.555 ( 5.233 -5.160 7.452) 10.466 13.774 ( -0.276 3.450 4.481) 5.662 13.910 ( -0.740 2.013 3.500) 4.105 14.180 ( 4.507 0.907 0.383) 4.613 14.435 ( -0.970 -0.927 -4.546) 4.740 16.226 ( -4.875 0.180 4.472) 6.618 16.342 ( -5.511 -0.373 -0.473) 5.543 16.474 ( -3.314 -0.543 -2.430) 4.145 16.810 ( 5.175 0.465 -4.378) 6.794 16.903 ( 4.591 1.772 0.154) 4.924 17.143 ( -1.726 7.642 -1.015) 7.900 17.495 ( -5.158 -1.400 6.341) 8.293 17.658 ( 3.415 0.761 1.533) 3.820 17.749 ( -0.160 2.900 -0.978) 3.065 17.890 ( -0.558 -4.475 -5.877) 7.408 18.160 ( -1.144 3.087 -3.814) 5.038 18.373 ( 1.161 -0.446 -3.347) 3.571 ======================= Grid point 496 (156/189) ======================= q-point: ( 0.58 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.392 ( 8.327 12.016 29.888) 33.272 4.203 ( 10.599 10.838 24.501) 28.811 5.065 ( -4.166 -4.427 1.262) 6.209 5.219 ( -0.888 -3.674 -19.554) 19.916 5.531 ( -10.448 2.808 -16.764) 19.952 5.763 ( 14.651 3.289 -0.732) 15.033 6.807 ( -10.218 -12.002 -6.882) 17.200 7.107 ( -2.164 -14.213 -13.266) 19.562 8.212 ( 13.138 4.956 10.170) 17.338 8.298 ( -9.696 6.359 -9.591) 15.048 8.734 ( -7.260 -1.827 -1.962) 7.740 8.740 ( 3.366 -2.583 4.817) 6.419 13.568 ( 2.303 -4.916 7.489) 9.250 13.610 ( 3.668 -1.324 4.416) 5.892 13.771 ( -1.708 -1.375 -2.824) 3.576 13.924 ( -0.906 2.392 -2.459) 3.548 14.264 ( 4.786 -0.371 0.441) 4.821 14.404 ( -0.673 2.214 -3.857) 4.498 16.112 ( -9.965 -1.981 8.135) 13.016 16.253 ( -5.659 -0.581 2.055) 6.049 16.495 ( 4.729 2.031 -1.054) 5.254 16.869 ( 5.955 -2.670 -3.770) 7.537 17.000 ( 3.134 2.160 3.904) 5.452 17.165 ( -1.660 6.848 -1.991) 7.322 17.442 ( -4.734 0.424 5.042) 6.929 17.693 ( -1.328 -0.875 -0.090) 1.593 17.745 ( 1.134 1.031 0.055) 1.533 17.883 ( 2.396 1.743 -1.656) 3.394 18.154 ( -1.469 1.692 0.174) 2.247 18.366 ( 0.394 -1.444 -1.101) 1.858 ======================= Grid point 497 (157/189) ======================= q-point: ( 0.67 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.844 ( 13.145 12.626 19.465) 26.666 4.481 ( -3.153 -0.593 11.357) 11.802 4.891 ( -4.615 -4.879 1.221) 6.826 5.128 ( -15.338 0.903 2.659) 15.593 5.357 ( 9.701 10.381 -20.975) 25.334 5.968 ( 9.694 -2.137 -1.733) 10.077 6.588 ( -0.028 -3.866 -11.051) 11.708 6.932 ( 5.859 -9.256 -17.218) 20.407 8.002 ( -23.216 -1.483 -9.469) 25.116 8.550 ( 13.675 4.159 12.183) 18.781 8.590 ( -5.606 1.325 -0.520) 5.784 8.838 ( 5.408 -3.925 7.302) 9.898 13.525 ( -2.666 -3.585 -1.556) 4.731 13.628 ( -5.527 -3.319 -10.852) 12.623 13.744 ( 4.070 0.003 9.243) 10.099 13.913 ( 1.363 1.344 -7.025) 7.281 14.304 ( 0.409 -1.062 -1.002) 1.516 14.407 ( 0.477 2.981 -3.215) 4.410 16.040 ( -3.764 0.278 9.996) 10.685 16.159 ( -7.060 -1.022 3.924) 8.142 16.594 ( 6.095 -1.524 0.799) 6.333 16.893 ( 4.582 -3.905 -6.091) 8.564 17.098 ( 1.514 2.876 8.420) 9.025 17.237 ( 2.266 6.993 3.711) 8.234 17.419 ( -1.620 0.831 3.545) 3.985 17.659 ( -3.317 0.237 3.742) 5.006 17.769 ( 1.188 0.044 -2.614) 2.872 17.939 ( 2.606 2.935 -1.671) 4.266 18.138 ( -2.471 0.351 1.636) 2.984 18.336 ( -1.530 -3.061 1.053) 3.581 ======================= Grid point 498 (158/189) ======================= q-point: (-0.25 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.086 ( -10.376 -9.482 0.828) 14.080 4.333 ( -6.302 3.673 3.944) 8.292 4.649 ( -15.393 -3.266 7.561) 17.458 5.183 ( 9.447 12.606 5.909) 16.825 5.661 ( 17.653 12.723 -3.230) 21.998 6.030 ( 5.396 -4.637 -3.291) 7.838 6.590 ( 8.750 2.270 -13.681) 16.398 6.905 ( 11.368 -5.630 -20.377) 24.003 7.454 ( -30.831 -4.112 -7.983) 32.112 8.540 ( -4.286 2.538 1.790) 5.293 8.849 ( 11.116 -1.239 10.497) 15.339 8.937 ( 5.727 -1.689 6.752) 9.014 13.379 ( -10.029 -3.269 -11.162) 15.358 13.429 ( -5.203 -1.282 -3.359) 6.324 13.876 ( 5.466 0.341 5.762) 7.949 13.904 ( 1.587 0.657 -7.925) 8.109 14.256 ( -3.555 0.355 -3.624) 5.089 14.415 ( -0.318 1.229 -2.212) 2.550 16.034 ( -5.262 -2.614 4.074) 7.150 16.139 ( 1.491 2.638 12.994) 13.343 16.669 ( 6.309 -2.897 -0.625) 6.970 16.892 ( 3.792 -2.180 -6.312) 7.679 17.191 ( 0.516 0.699 10.499) 10.535 17.371 ( 0.467 3.481 7.806) 8.560 17.474 ( 5.227 1.878 4.071) 6.886 17.629 ( -3.350 0.521 4.057) 5.287 17.743 ( -1.593 0.291 -5.170) 5.418 17.995 ( 2.324 1.237 -0.978) 2.808 18.103 ( -2.777 0.244 0.808) 2.902 18.276 ( -2.761 -3.869 3.151) 5.703 ======================= Grid point 506 (159/189) ======================= q-point: ( 0.42 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.122 ( -0.000 -0.750 44.657) 44.664 3.519 ( -0.000 9.775 36.209) 37.506 4.986 ( -0.000 14.339 20.855) 25.309 5.314 ( 0.000 2.428 -20.270) 20.414 5.416 ( 0.000 -0.861 -32.523) 32.535 5.806 ( 0.000 -5.197 -1.768) 5.489 7.542 ( 0.000 -21.723 -3.907) 22.072 7.581 ( 0.000 -23.653 -7.318) 24.759 7.685 ( 0.000 1.367 -1.792) 2.254 8.443 ( -0.000 -0.426 8.367) 8.377 8.595 ( 0.000 9.470 -17.702) 20.076 8.917 ( 0.000 9.271 -2.955) 9.731 13.397 ( -0.000 -3.014 10.333) 10.763 13.465 ( -0.000 -6.715 15.016) 16.449 13.789 ( -0.000 3.423 8.144) 8.834 13.941 ( -0.000 1.281 8.335) 8.433 14.088 ( 0.000 1.138 -0.482) 1.236 14.450 ( 0.000 -3.150 -5.062) 5.962 16.259 ( 0.000 3.789 -2.328) 4.447 16.458 ( 0.000 2.685 -5.818) 6.408 16.607 ( -0.000 -3.009 7.387) 7.977 16.691 ( 0.000 0.337 -7.913) 7.920 16.838 ( 0.000 4.494 -1.896) 4.878 17.173 ( -0.000 8.457 -0.254) 8.461 17.588 ( -0.000 -2.736 6.659) 7.199 17.594 ( -0.000 0.345 2.006) 2.036 17.728 ( -0.000 4.258 0.214) 4.263 17.905 ( 0.000 -5.559 -7.162) 9.066 18.188 ( 0.000 4.583 -8.225) 9.415 18.342 ( 0.000 -0.212 -5.784) 5.788 ======================= Grid point 507 (160/189) ======================= q-point: ( 0.50 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.368 ( -3.608 6.112 42.068) 42.663 3.885 ( 6.604 10.718 32.690) 35.031 5.121 ( 1.011 2.681 -18.110) 18.335 5.223 ( 2.386 -4.981 -31.562) 32.042 5.325 ( 5.051 8.271 7.737) 12.401 5.751 ( -2.212 -0.804 -2.307) 3.296 7.210 ( -10.974 -20.192 -3.105) 23.190 7.260 ( -4.819 -22.932 -8.128) 24.803 7.806 ( 10.614 -0.102 5.110) 11.781 8.479 ( -1.791 3.899 0.151) 4.294 8.602 ( 1.538 6.455 -6.802) 9.502 8.952 ( -3.060 5.604 -4.131) 7.605 13.454 ( 3.403 -3.568 9.202) 10.439 13.495 ( 1.858 -7.919 12.466) 14.885 13.812 ( -1.014 -1.294 1.427) 2.177 14.000 ( -2.640 3.066 6.224) 7.424 14.120 ( 3.587 0.593 0.270) 3.646 14.400 ( 0.469 -1.550 -4.246) 4.544 16.294 ( 0.208 4.485 -0.163) 4.493 16.432 ( -3.632 3.809 -2.148) 5.685 16.550 ( -7.081 -3.668 3.726) 8.802 16.677 ( 4.142 -0.749 -8.376) 9.374 16.901 ( 2.225 6.040 0.792) 6.485 17.224 ( -1.164 6.333 -3.072) 7.134 17.587 ( -2.299 -0.646 5.479) 5.977 17.623 ( 2.003 -0.204 1.107) 2.298 17.780 ( 0.365 4.820 -0.353) 4.846 17.819 ( -0.065 -3.945 -4.190) 5.755 18.193 ( -0.737 4.802 -2.840) 5.628 18.319 ( 1.511 -0.347 -4.938) 5.176 ======================= Grid point 508 (161/189) ======================= q-point: ( 0.58 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.646 ( -0.845 10.655 35.715) 37.280 4.301 ( 9.147 11.150 25.439) 29.242 4.988 ( 1.000 -6.646 -28.910) 29.681 5.085 ( 0.928 6.383 -12.303) 13.891 5.545 ( 12.108 -0.464 1.710) 12.237 5.664 ( -8.117 3.857 -6.445) 11.059 6.821 ( -11.831 -16.881 -2.717) 20.792 6.925 ( -3.852 -20.576 -8.687) 22.664 8.067 ( 15.117 -0.475 10.741) 18.550 8.463 ( -6.021 10.432 -7.546) 14.214 8.666 ( 3.857 -0.747 2.659) 4.744 8.855 ( -8.928 1.152 -4.657) 10.135 13.519 ( 2.135 -7.439 7.953) 11.097 13.541 ( 4.911 -3.328 6.471) 8.779 13.775 ( -1.548 -1.713 -0.519) 2.367 13.969 ( -3.721 0.817 -3.240) 5.001 14.206 ( 3.831 0.601 3.872) 5.480 14.389 ( 1.261 0.852 -3.916) 4.201 16.316 ( -5.432 1.844 5.531) 7.969 16.362 ( -8.188 -1.292 5.360) 9.871 16.452 ( -0.263 2.417 -4.123) 4.787 16.692 ( 6.036 -2.478 -9.494) 11.520 17.020 ( 3.073 5.923 4.443) 8.016 17.231 ( -1.206 6.105 -4.675) 7.783 17.561 ( -4.905 0.663 4.482) 6.677 17.655 ( 2.384 -1.595 -1.021) 3.045 17.767 ( -0.372 0.041 1.060) 1.124 17.853 ( 2.352 3.722 -2.030) 4.848 18.210 ( -1.701 3.505 1.050) 4.035 18.319 ( 1.950 -1.227 -3.007) 3.788 ======================= Grid point 509 (162/189) ======================= q-point: ( 0.67 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.958 ( 3.583 10.382 25.750) 27.994 4.548 ( -1.749 -3.289 -3.256) 4.947 4.890 ( 5.634 7.051 4.886) 10.263 5.192 ( 9.101 12.696 -8.784) 17.921 5.446 ( -17.875 3.256 -7.576) 19.686 5.721 ( 13.113 -5.910 -2.562) 14.610 6.520 ( -5.743 -9.343 -4.893) 12.009 6.673 ( 1.226 -14.997 -10.176) 18.165 8.313 ( -18.045 6.054 -9.165) 21.125 8.387 ( 15.992 -3.141 11.773) 20.105 8.697 ( -5.885 1.669 -1.540) 6.308 8.743 ( 4.641 -2.539 3.646) 6.425 13.512 ( -0.081 -4.637 2.707) 5.369 13.588 ( 0.816 -2.993 -3.589) 4.745 13.751 ( 0.342 -1.351 5.683) 5.852 13.887 ( -2.145 0.706 -7.361) 7.700 14.287 ( 2.169 0.635 3.510) 4.175 14.394 ( 0.897 1.821 -4.924) 5.326 16.209 ( -9.544 0.145 8.270) 12.630 16.292 ( -5.329 -0.830 5.511) 7.710 16.482 ( 3.802 -1.106 -1.633) 4.283 16.709 ( 6.720 -3.884 -9.463) 12.239 17.156 ( 2.351 5.382 7.462) 9.496 17.277 ( 1.986 7.661 -2.321) 8.247 17.505 ( -4.854 0.586 3.429) 5.972 17.653 ( 1.475 -3.235 -2.323) 4.247 17.795 ( -0.684 2.937 3.497) 4.618 17.910 ( 2.727 2.919 -2.857) 4.911 18.206 ( -3.134 1.561 2.228) 4.150 18.311 ( 0.843 -3.092 -0.868) 3.320 ======================= Grid point 510 (163/189) ======================= q-point: (-0.25 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.182 ( -4.906 0.182 4.813) 6.875 4.376 ( 1.184 -2.865 3.094) 4.380 5.025 ( -24.985 0.569 -1.790) 25.056 5.225 ( 6.862 16.131 6.056) 18.547 5.510 ( 15.002 12.883 1.820) 19.858 5.818 ( 10.026 -9.080 -3.571) 13.990 6.422 ( 3.635 -0.223 -8.634) 9.371 6.576 ( 8.027 -5.843 -13.944) 17.117 7.882 ( -29.170 0.684 -8.551) 30.406 8.624 ( 6.580 -5.386 4.890) 9.809 8.671 ( 3.509 -1.533 4.604) 5.988 8.851 ( 7.345 -0.014 4.960) 8.863 13.445 ( -6.986 -1.273 -6.938) 9.928 13.477 ( -3.620 -0.612 -2.832) 4.637 13.830 ( 4.203 -0.963 7.147) 8.346 13.846 ( 1.048 1.135 -6.610) 6.788 14.304 ( -2.749 1.919 -1.348) 3.613 14.404 ( 1.529 1.270 -2.610) 3.281 16.118 ( -6.083 -1.659 2.938) 6.956 16.259 ( -3.135 -0.576 12.265) 12.673 16.522 ( 5.172 -3.970 -1.240) 6.637 16.734 ( 6.928 -3.275 -7.084) 10.436 17.268 ( -0.239 2.433 9.855) 10.153 17.404 ( 5.274 5.881 -0.104) 7.900 17.474 ( -1.984 1.500 2.434) 3.480 17.618 ( 0.720 -4.144 -2.182) 4.738 17.817 ( -3.173 3.998 2.589) 5.723 17.966 ( 2.801 2.075 -1.759) 3.904 18.161 ( -4.028 -0.539 0.922) 4.167 18.276 ( -0.593 -4.724 1.453) 4.978 ======================= Grid point 519 (164/189) ======================= q-point: ( 0.50 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.720 ( -0.000 7.758 41.560) 42.278 4.120 ( -0.000 9.049 30.358) 31.678 4.938 ( 0.000 -2.205 -35.960) 36.027 5.029 ( 0.000 2.450 -17.859) 18.026 5.386 ( 0.000 5.381 -0.607) 5.415 5.773 ( -0.000 1.100 2.806) 3.014 7.024 ( 0.000 -24.299 -6.847) 25.245 7.106 ( 0.000 -21.301 -1.026) 21.326 7.730 ( -0.000 -2.467 8.911) 9.246 8.529 ( -0.000 -0.801 7.408) 7.452 8.623 ( 0.000 12.946 -13.853) 18.961 9.015 ( 0.000 6.062 -4.602) 7.611 13.444 ( -0.000 -3.761 8.756) 9.529 13.474 ( -0.000 -9.506 12.424) 15.643 13.807 ( -0.000 -2.737 0.792) 2.849 14.057 ( 0.000 -0.159 -5.029) 5.032 14.120 ( -0.000 2.129 9.404) 9.642 14.354 ( 0.000 -1.363 -3.386) 3.650 16.323 ( 0.000 4.306 -2.756) 5.113 16.487 ( 0.000 4.048 -3.664) 5.460 16.563 ( 0.000 0.059 -10.165) 10.166 16.644 ( -0.000 -3.455 9.787) 10.379 16.950 ( -0.000 9.002 -0.688) 9.028 17.259 ( 0.000 4.899 -5.628) 7.461 17.599 ( 0.000 -1.256 -0.690) 1.433 17.631 ( -0.000 0.600 4.425) 4.466 17.771 ( 0.000 -3.200 -1.770) 3.657 17.822 ( 0.000 5.180 -0.796) 5.241 18.241 ( -0.000 5.469 0.006) 5.469 18.270 ( 0.000 -0.497 -4.988) 5.012 ======================= Grid point 520 (165/189) ======================= q-point: ( 0.58 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.004 ( -3.984 8.037 37.427) 38.487 4.379 ( 6.347 4.169 11.737) 13.980 4.770 ( 1.627 3.327 -20.544) 20.876 5.005 ( 5.559 6.200 -16.438) 18.427 5.415 ( 2.912 0.063 -4.230) 5.136 5.788 ( -4.210 4.898 1.500) 6.630 6.735 ( -2.769 -22.662 -4.972) 23.365 6.836 ( -9.311 -17.081 1.519) 19.513 7.864 ( 12.417 -6.961 12.591) 19.004 8.563 ( -0.100 2.199 2.580) 3.392 8.661 ( -0.551 10.364 -9.522) 14.085 8.980 ( -6.583 3.607 -5.432) 9.266 13.466 ( 1.448 -8.795 10.225) 13.565 13.483 ( 2.742 -4.118 7.463) 8.954 13.779 ( -0.846 -2.095 0.959) 2.455 13.996 ( -2.705 -0.420 -6.422) 6.981 14.199 ( 1.990 0.383 7.004) 7.291 14.346 ( 1.585 0.228 -2.385) 2.873 16.330 ( 0.285 -0.778 -3.441) 3.540 16.467 ( 2.197 -0.864 -7.243) 7.618 16.531 ( -4.367 4.023 -1.985) 6.260 16.617 ( -5.779 0.409 5.252) 7.820 17.063 ( 2.386 9.296 1.961) 9.796 17.261 ( -0.251 5.260 -6.949) 8.719 17.586 ( 1.442 -2.345 -2.362) 3.627 17.658 ( -2.050 0.831 3.150) 3.849 17.748 ( 1.775 -1.109 0.923) 2.288 17.862 ( 0.332 4.195 -1.787) 4.572 18.248 ( 1.289 -1.002 -3.158) 3.556 18.287 ( -0.861 3.844 1.198) 4.118 ======================= Grid point 521 (166/189) ======================= q-point: ( 0.67 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.186 ( -2.454 2.386 25.422) 25.652 4.432 ( 1.668 0.238 -20.011) 20.081 4.918 ( 9.672 9.956 14.112) 19.794 5.128 ( 7.985 13.158 -11.944) 19.483 5.453 ( 8.145 -4.905 -5.005) 10.745 5.709 ( -12.480 5.658 -1.353) 13.770 6.492 ( -1.269 -15.208 -2.255) 15.427 6.551 ( -9.892 -10.628 3.248) 14.879 8.103 ( 17.069 -12.507 13.077) 24.876 8.575 ( -7.551 9.019 -5.977) 13.194 8.677 ( 0.922 1.385 -1.983) 2.589 8.826 ( -8.815 2.338 -4.621) 10.224 13.475 ( 1.827 -6.831 7.847) 10.563 13.524 ( 2.246 -3.435 1.663) 4.428 13.769 ( -0.122 -0.677 3.992) 4.051 13.896 ( -3.582 0.391 -8.042) 8.812 14.281 ( 2.965 -0.000 5.911) 6.613 14.364 ( 1.094 1.494 -3.153) 3.657 16.282 ( 1.235 -6.930 -1.447) 7.187 16.418 ( -9.696 0.308 -0.695) 9.726 16.486 ( 3.760 -0.362 -2.638) 4.607 16.575 ( -4.492 4.527 -0.143) 6.379 17.211 ( 2.903 8.083 4.604) 9.744 17.286 ( 1.805 6.391 -6.395) 9.219 17.569 ( 1.828 -3.535 -3.238) 5.130 17.609 ( -4.710 -0.474 2.099) 5.178 17.820 ( 3.864 1.468 2.772) 4.977 17.890 ( 0.275 3.536 -2.488) 4.333 18.244 ( 1.851 -2.844 -1.431) 3.683 18.290 ( -2.885 1.365 1.027) 3.353 ======================= Grid point 522 (167/189) ======================= q-point: ( 0.75 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 438 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.300 ( -3.135 0.071 -14.598) 14.931 4.300 ( 1.629 -2.679 14.598) 14.931 5.292 ( -1.410 12.004 -18.352) 21.974 5.292 ( 11.100 4.781 18.352) 21.974 5.525 ( 10.770 -3.691 -5.654) 12.711 5.525 ( -8.581 7.481 5.654) 12.711 6.398 ( 1.739 -3.083 -2.416) 4.285 6.398 ( -3.539 -0.035 2.416) 4.285 8.298 ( -24.183 4.002 -9.224) 26.190 8.298 ( 15.558 -18.942 9.224) 26.190 8.758 ( -2.623 5.495 -3.820) 7.188 8.758 ( 6.070 0.476 3.820) 7.188 13.488 ( -2.759 -1.115 -5.166) 5.962 13.488 ( 0.414 -2.947 5.166) 5.962 13.817 ( -1.099 1.728 -7.095) 7.384 13.817 ( 2.046 -0.087 7.095) 7.384 14.361 ( 0.052 1.732 -5.092) 5.378 14.361 ( 1.473 0.911 5.092) 5.378 16.244 ( -6.500 -3.341 -2.248) 7.647 16.244 ( 0.357 -7.300 2.248) 7.647 16.546 ( 4.938 -0.801 -7.585) 9.086 16.546 ( -3.163 3.876 7.585) 9.086 17.349 ( 3.809 3.594 -7.145) 8.859 17.349 ( 1.208 5.096 7.145) 8.859 17.546 ( 2.099 -3.102 -1.882) 4.192 17.546 ( -3.736 0.266 1.882) 4.192 17.910 ( 2.615 1.911 -4.229) 5.327 17.910 ( 0.348 3.220 4.229) 5.327 18.229 ( -1.443 -3.308 -1.189) 3.799 18.229 ( -2.143 -2.903 1.189) 3.799 ======================= Grid point 533 (168/189) ======================= q-point: ( 0.58 0.58 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.291 ( 0.000 -0.520 -16.978) 16.986 4.343 ( -0.000 3.970 37.250) 37.461 4.793 ( -0.000 5.910 5.928) 8.371 4.882 ( 0.000 6.074 -17.727) 18.739 5.367 ( 0.000 3.856 -11.286) 11.927 5.906 ( -0.000 7.492 4.392) 8.685 6.538 ( 0.000 -19.538 0.306) 19.540 6.796 ( -0.000 -13.067 5.700) 14.256 7.741 ( -0.000 -13.044 14.690) 19.646 8.575 ( -0.000 -0.852 2.146) 2.309 8.723 ( 0.000 13.453 -11.610) 17.770 9.041 ( 0.000 3.884 -6.212) 7.326 13.431 ( -0.000 -9.939 11.702) 15.354 13.468 ( -0.000 -4.010 6.799) 7.894 13.778 ( -0.000 -1.295 2.531) 2.843 13.973 ( 0.000 -0.046 -7.887) 7.887 14.218 ( -0.000 -1.405 6.441) 6.592 14.333 ( -0.000 1.181 0.208) 1.199 16.292 ( 0.000 -2.422 -5.525) 6.033 16.344 ( 0.000 -2.045 -13.607) 13.760 16.612 ( 0.000 5.996 -1.257) 6.126 16.736 ( -0.000 -0.188 10.672) 10.673 17.152 ( -0.000 12.279 -0.113) 12.280 17.261 ( 0.000 4.826 -8.482) 9.759 17.532 ( 0.000 -2.208 -4.056) 4.618 17.694 ( -0.000 0.996 1.525) 1.821 17.724 ( -0.000 -1.972 1.292) 2.357 17.886 ( 0.000 3.389 -1.274) 3.621 18.200 ( 0.000 -1.633 -3.360) 3.736 18.340 ( -0.000 2.557 1.555) 2.993 ======================= Grid point 534 (169/189) ======================= q-point: ( 0.67 0.58 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.207 ( 1.782 1.939 -15.058) 15.286 4.458 ( -4.848 -5.443 13.726) 15.541 4.918 ( 7.931 2.690 12.059) 14.682 4.972 ( 9.640 4.944 -9.833) 14.631 5.367 ( 1.097 10.294 -10.654) 14.855 5.938 ( -7.462 6.242 1.969) 9.926 6.413 ( -1.149 -8.038 7.193) 10.848 6.671 ( -8.936 -6.196 10.891) 15.390 7.788 ( 12.190 -19.232 13.802) 26.627 8.589 ( 2.386 -1.047 -0.051) 2.606 8.761 ( -2.728 12.630 -10.814) 16.849 8.965 ( -8.002 2.587 -6.438) 10.591 13.424 ( 1.800 -9.249 11.281) 14.699 13.476 ( 1.364 -4.280 4.071) 6.062 13.795 ( -0.055 0.530 4.964) 4.992 13.906 ( -2.557 1.225 -8.143) 8.622 14.256 ( 2.330 -2.081 4.905) 5.816 14.361 ( 0.831 2.003 1.309) 2.533 16.195 ( -1.028 -5.024 -6.331) 8.147 16.302 ( 4.516 -1.804 -12.553) 13.462 16.605 ( -6.082 3.606 0.028) 7.070 16.752 ( -5.455 2.683 8.562) 10.501 17.262 ( 1.346 4.493 -8.643) 9.834 17.279 ( 1.662 11.171 -0.453) 11.303 17.492 ( 0.759 -2.291 -4.441) 5.055 17.676 ( -2.688 -1.253 1.492) 3.320 17.755 ( 4.249 -0.749 -0.245) 4.321 17.917 ( 0.358 3.667 0.083) 3.686 18.176 ( 1.379 -2.682 -2.320) 3.805 18.342 ( -1.870 -0.232 0.246) 1.900 ======================= Grid point 548 (170/189) ======================= q-point: (-0.33 -0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.151 ( 0.000 7.484 -13.263) 15.229 4.434 ( -0.000 -20.710 6.816) 21.802 4.766 ( 0.000 -12.155 -3.963) 12.785 5.014 ( -0.000 14.596 -0.897) 14.623 5.446 ( 0.000 18.617 -4.205) 19.086 6.055 ( -0.000 2.586 2.003) 3.271 6.466 ( -0.000 3.082 12.979) 13.340 6.830 ( -0.000 3.065 18.296) 18.550 7.544 ( -0.000 -26.403 12.615) 29.262 8.543 ( 0.000 -2.094 -2.423) 3.202 8.835 ( 0.000 12.333 -10.269) 16.048 9.016 ( 0.000 2.417 -7.645) 8.018 13.387 ( -0.000 -10.557 12.593) 16.433 13.445 ( -0.000 -5.181 4.073) 6.590 13.843 ( -0.000 1.750 6.939) 7.156 13.900 ( 0.000 2.962 -7.415) 7.985 14.241 ( -0.000 -3.188 5.071) 5.990 14.382 ( -0.000 1.454 2.290) 2.712 16.131 ( 0.000 -6.286 -6.044) 8.721 16.169 ( 0.000 2.174 -13.727) 13.898 16.687 ( 0.000 3.337 -0.589) 3.389 16.866 ( -0.000 1.275 8.433) 8.529 17.228 ( 0.000 3.158 -10.063) 10.547 17.349 ( 0.000 9.256 -7.220) 11.739 17.463 ( 0.000 2.301 -2.788) 3.615 17.659 ( 0.000 -3.209 -4.245) 5.322 17.722 ( -0.000 -1.795 4.712) 5.042 17.951 ( -0.000 4.081 0.825) 4.164 18.125 ( 0.000 -2.888 -1.961) 3.491 18.341 ( 0.000 -2.657 -1.462) 3.032 ======================= Grid point 641 (171/189) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.105 ( -0.000 0.000 39.221) 39.221 3.105 ( -0.000 0.000 39.221) 39.221 4.215 ( -0.000 0.000 49.409) 49.409 5.519 ( 0.000 -0.000 -26.921) 26.921 5.519 ( 0.000 -0.000 -26.921) 26.921 5.956 ( 0.000 -0.000 -3.115) 3.115 7.667 ( 0.000 -0.000 -8.839) 8.839 8.205 ( -0.000 0.000 1.902) 1.902 8.205 ( -0.000 0.000 1.902) 1.902 8.453 ( 0.000 0.000 -3.257) 3.257 8.453 ( 0.000 -0.000 -3.257) 3.257 8.510 ( 0.000 -0.000 -25.877) 25.877 13.364 ( -0.000 0.000 17.695) 17.695 13.519 ( -0.000 0.000 15.137) 15.137 13.519 ( -0.000 0.000 15.137) 15.137 13.978 ( -0.000 0.000 5.364) 5.364 13.978 ( -0.000 0.000 5.364) 5.364 14.569 ( 0.000 -0.000 -6.822) 6.822 16.241 ( 0.000 -0.000 -5.831) 5.831 16.510 ( 0.000 -0.000 -15.778) 15.778 16.628 ( -0.000 0.000 3.401) 3.401 16.628 ( -0.000 0.000 3.401) 3.401 16.880 ( -0.000 0.000 1.691) 1.691 16.880 ( -0.000 0.000 1.691) 1.691 17.606 ( -0.000 0.000 1.185) 1.185 17.606 ( -0.000 0.000 1.185) 1.185 17.653 ( -0.000 0.000 10.029) 10.029 18.129 ( 0.000 -0.000 -14.852) 14.852 18.129 ( 0.000 -0.000 -14.852) 14.852 18.377 ( 0.000 -0.000 -6.849) 6.849 ======================= Grid point 642 (172/189) ======================= q-point: ( 0.42 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.185 ( -10.817 -6.245 42.524) 44.321 3.407 ( 5.803 3.350 36.851) 37.455 4.705 ( 16.063 9.274 39.065) 43.244 5.277 ( -3.713 -2.144 -25.325) 25.685 5.435 ( 4.316 2.492 -28.989) 29.414 5.896 ( -3.316 -1.915 -5.890) 7.025 7.628 ( -0.700 -0.404 -6.369) 6.420 7.929 ( -13.308 -7.683 1.349) 15.426 8.090 ( -16.363 -9.447 -4.466) 19.415 8.322 ( -0.172 -0.099 -18.866) 18.867 8.451 ( 8.325 4.807 0.542) 9.629 8.720 ( 10.237 5.910 -4.721) 12.729 13.474 ( 0.471 0.272 15.248) 15.258 13.616 ( 1.589 0.918 17.238) 17.336 13.627 ( 0.636 0.367 11.941) 11.964 13.946 ( -2.582 -1.491 3.529) 4.620 14.071 ( 3.327 1.921 2.610) 4.644 14.501 ( -1.617 -0.933 -8.307) 8.514 16.210 ( 0.288 0.166 -3.619) 3.634 16.409 ( -1.316 -0.760 -10.199) 10.312 16.632 ( -2.155 -1.244 2.350) 3.422 16.693 ( 3.169 1.830 3.693) 5.199 16.838 ( -0.721 -0.416 -1.518) 1.732 16.968 ( 3.396 1.961 2.020) 4.411 17.595 ( 0.251 0.145 2.675) 2.691 17.660 ( 2.500 1.444 0.325) 2.906 17.660 ( -4.314 -2.491 7.764) 9.224 18.026 ( -1.979 -1.143 -14.572) 14.750 18.066 ( 2.344 1.353 -9.741) 10.110 18.342 ( 0.928 0.536 -7.199) 7.279 ======================= Grid point 643 (173/189) ======================= q-point: ( 0.50 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.252 ( -5.707 -3.295 42.960) 43.462 3.789 ( 9.672 5.584 32.522) 34.386 5.073 ( -1.325 -0.765 -22.473) 22.525 5.241 ( 12.146 7.012 19.987) 24.417 5.368 ( 7.530 4.347 -24.674) 26.161 5.730 ( -7.645 -4.414 -9.908) 13.270 7.403 ( -16.329 -9.428 -4.544) 19.395 7.634 ( -16.464 -9.506 -5.356) 19.751 7.915 ( 4.654 2.687 4.316) 6.892 8.217 ( 1.227 0.708 -17.378) 17.436 8.633 ( 6.219 3.591 5.274) 8.910 8.828 ( 2.165 1.250 -4.948) 5.543 13.568 ( 0.749 0.433 12.393) 12.423 13.682 ( -0.925 -0.534 6.497) 6.585 13.758 ( 1.699 0.981 13.290) 13.434 13.909 ( -1.752 -1.012 0.387) 2.060 14.155 ( 3.694 2.133 0.574) 4.304 14.417 ( -1.429 -0.825 -7.279) 7.463 16.227 ( 1.831 1.057 1.117) 2.391 16.334 ( -1.597 -0.922 -4.624) 4.978 16.519 ( -7.812 -4.511 -0.111) 9.022 16.795 ( 3.719 2.147 4.575) 6.275 16.870 ( 4.781 2.761 -2.924) 6.247 17.034 ( 1.761 1.017 -0.183) 2.042 17.581 ( -5.650 -3.262 5.584) 8.588 17.650 ( 2.513 1.451 2.747) 3.996 17.706 ( 1.517 0.876 -1.037) 2.036 17.898 ( -2.015 -1.163 -10.034) 10.300 18.091 ( 2.726 1.574 -2.775) 4.197 18.335 ( 2.056 1.187 -5.891) 6.351 ======================= Grid point 644 (174/189) ======================= q-point: ( 0.58 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.467 ( 2.976 1.718 37.698) 37.854 4.197 ( 10.732 6.196 26.576) 29.323 4.979 ( 4.967 2.868 -19.145) 19.986 5.224 ( -0.551 -0.318 -21.257) 21.266 5.447 ( -12.144 -7.011 -11.691) 18.257 5.679 ( 12.780 7.379 7.162) 16.403 6.987 ( -17.785 -10.268 -4.693) 21.065 7.255 ( -13.312 -7.686 -9.236) 17.933 8.150 ( 0.059 0.034 -12.973) 12.973 8.158 ( 11.855 6.845 10.296) 17.129 8.754 ( -4.059 -2.343 -4.440) 6.456 8.789 ( 3.266 1.886 6.570) 7.575 13.658 ( 1.460 0.843 8.191) 8.363 13.658 ( -2.981 -1.721 0.011) 3.442 13.804 ( -2.469 -1.426 4.146) 5.032 13.878 ( -0.500 -0.289 -2.649) 2.712 14.249 ( 4.411 2.547 0.869) 5.167 14.358 ( -0.698 -0.403 -5.059) 5.123 16.218 ( -7.191 -4.152 7.507) 11.194 16.277 ( -2.554 -1.475 -0.014) 2.949 16.442 ( 4.183 2.415 -0.929) 4.919 16.899 ( 2.991 1.727 2.864) 4.487 16.982 ( 6.461 3.730 -1.778) 7.669 17.041 ( 0.244 0.141 -1.480) 1.506 17.497 ( -4.680 -2.702 5.085) 7.421 17.702 ( -0.783 -0.452 -1.213) 1.513 17.720 ( 2.321 1.340 1.256) 2.960 17.852 ( 1.319 0.762 -3.231) 3.572 18.131 ( 1.254 0.724 0.895) 1.703 18.354 ( 1.930 1.115 -3.463) 4.118 ======================= Grid point 645 (175/189) ======================= q-point: ( 0.67 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.811 ( 9.510 5.491 28.248) 30.308 4.533 ( 5.837 3.370 19.296) 20.439 5.013 ( 2.894 1.671 -34.648) 34.809 5.031 ( -7.927 -4.577 -12.719) 15.670 5.165 ( -1.221 -0.705 10.540) 10.634 5.935 ( 8.863 5.117 0.229) 10.237 6.625 ( -10.779 -6.223 -8.324) 14.974 6.968 ( -6.447 -3.722 -13.109) 15.075 7.988 ( -10.006 -5.777 -12.329) 16.897 8.505 ( 12.924 7.462 12.172) 19.258 8.606 ( -5.077 -2.931 -1.424) 6.033 8.913 ( 3.147 1.817 7.748) 8.558 13.566 ( -4.208 -2.430 -3.636) 6.069 13.629 ( -5.560 -3.210 -9.814) 11.728 13.803 ( 0.705 0.407 10.511) 10.543 13.856 ( 0.724 0.418 -5.494) 5.557 14.312 ( -1.272 -0.734 -4.268) 4.514 14.339 ( 3.402 1.964 -0.486) 3.958 16.122 ( -4.603 -2.657 10.646) 11.899 16.213 ( -4.342 -2.507 3.286) 5.994 16.583 ( 6.164 3.559 1.765) 7.333 16.907 ( -0.071 -0.041 -7.369) 7.370 17.101 ( 3.242 1.872 7.972) 8.807 17.134 ( 7.899 4.561 1.799) 9.297 17.450 ( -2.257 -1.303 4.950) 5.595 17.682 ( -1.361 -0.786 2.285) 2.773 17.753 ( 0.619 0.358 -1.795) 1.932 17.887 ( 2.769 1.599 -1.197) 3.415 18.148 ( -0.678 -0.392 2.163) 2.300 18.365 ( 0.066 0.038 -0.907) 0.910 ======================= Grid point 654 (176/189) ======================= q-point: ( 0.42 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.477 ( -0.000 -7.200 40.644) 41.277 3.607 ( -0.000 4.597 37.419) 37.700 4.904 ( -0.000 11.084 34.050) 35.809 5.150 ( 0.000 0.148 -25.893) 25.893 5.221 ( 0.000 1.053 -31.458) 31.475 5.865 ( 0.000 -3.298 -5.900) 6.759 7.617 ( 0.000 2.883 -2.584) 3.872 7.914 ( 0.000 -19.054 -1.239) 19.094 7.976 ( 0.000 -21.855 -7.979) 23.266 8.326 ( 0.000 6.102 -18.504) 19.484 8.435 ( -0.000 6.826 5.477) 8.752 8.688 ( 0.000 12.872 -3.705) 13.394 13.541 ( -0.000 -4.049 15.022) 15.558 13.653 ( -0.000 -3.562 14.580) 15.008 13.767 ( -0.000 5.347 13.178) 14.221 13.979 ( -0.000 -1.340 3.321) 3.581 14.062 ( 0.000 1.445 -0.262) 1.468 14.446 ( 0.000 -1.083 -9.954) 10.013 16.194 ( 0.000 1.416 -2.860) 3.191 16.360 ( 0.000 2.075 -10.234) 10.443 16.660 ( -0.000 -0.455 0.203) 0.498 16.695 ( -0.000 -0.663 8.052) 8.079 16.824 ( 0.000 -2.668 -0.459) 2.707 17.012 ( -0.000 7.835 0.435) 7.847 17.606 ( -0.000 -0.184 2.434) 2.441 17.658 ( -0.000 2.104 1.081) 2.366 17.711 ( -0.000 -4.618 5.305) 7.034 17.927 ( 0.000 -2.532 -10.856) 11.147 18.032 ( 0.000 5.982 -9.192) 10.967 18.291 ( 0.000 0.801 -8.154) 8.193 ======================= Grid point 655 (177/189) ======================= q-point: ( 0.50 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.602 ( -7.050 -2.697 42.591) 43.255 3.924 ( 4.990 6.513 33.948) 34.925 4.945 ( -1.751 0.859 -27.634) 27.703 5.087 ( 5.907 -0.977 -31.985) 32.541 5.273 ( 8.870 7.238 22.252) 25.025 5.758 ( -5.107 -2.440 -6.718) 8.784 7.513 ( -12.373 -10.524 -1.625) 16.324 7.639 ( -6.869 -21.656 -6.223) 23.556 7.837 ( 7.754 -4.274 3.973) 9.705 8.225 ( -5.592 10.674 -16.364) 20.322 8.587 ( 6.261 2.822 5.999) 9.119 8.799 ( 1.913 7.493 -4.904) 9.157 13.595 ( 1.916 -4.664 11.743) 12.780 13.696 ( 0.014 -5.167 11.039) 12.188 13.848 ( -1.362 -0.096 6.368) 6.513 13.969 ( -3.579 2.740 2.980) 5.404 14.107 ( 4.055 1.088 0.355) 4.214 14.378 ( -0.316 -0.088 -8.566) 8.572 16.217 ( 1.790 3.192 -0.339) 3.675 16.330 ( -0.752 3.455 -6.452) 7.358 16.631 ( -7.748 -1.554 2.490) 8.285 16.695 ( 4.234 -5.477 -1.223) 7.030 16.849 ( 3.044 2.233 4.541) 5.905 17.076 ( -0.812 7.036 -2.364) 7.467 17.636 ( 1.777 -0.117 2.781) 3.303 17.657 ( -3.181 -3.452 3.206) 5.685 17.702 ( 0.951 3.070 -0.159) 3.218 17.839 ( -0.722 -1.879 -8.495) 8.730 18.076 ( 1.669 5.657 -1.517) 6.090 18.270 ( 2.050 1.352 -7.420) 7.816 ======================= Grid point 656 (178/189) ======================= q-point: ( 0.58 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.753 ( -4.927 2.594 41.032) 41.408 4.283 ( 7.246 7.751 28.031) 29.972 4.790 ( 2.975 2.612 -31.095) 31.346 4.990 ( 5.889 -2.123 -26.253) 26.989 5.572 ( -2.601 0.514 -0.595) 2.717 5.582 ( 2.749 1.490 4.180) 5.220 7.125 ( -16.257 -15.710 -1.604) 22.664 7.264 ( -9.521 -19.693 -6.004) 22.683 8.072 ( 12.844 4.496 9.961) 16.864 8.169 ( -3.943 11.707 -13.217) 18.090 8.739 ( 6.015 -0.329 6.327) 8.736 8.795 ( -3.655 1.607 -5.370) 6.691 13.645 ( 1.755 -4.474 5.516) 7.316 13.677 ( -1.528 -4.257 3.082) 5.473 13.831 ( -1.137 -3.078 4.568) 5.624 13.928 ( -4.452 1.366 -2.765) 5.416 14.206 ( 4.001 1.829 3.771) 5.794 14.338 ( 0.047 1.193 -6.111) 6.227 16.301 ( 0.901 2.463 2.532) 3.646 16.325 ( -0.073 4.263 0.107) 4.265 16.457 ( -8.890 -2.022 1.143) 9.188 16.738 ( 8.242 -6.611 -3.993) 11.295 16.972 ( 3.739 3.716 6.738) 8.555 17.085 ( -1.863 5.829 -5.293) 8.091 17.589 ( -4.899 -1.018 3.706) 6.226 17.679 ( 2.127 -0.971 0.491) 2.389 17.734 ( -0.475 2.838 -0.002) 2.878 17.805 ( 2.370 0.405 -3.368) 4.138 18.145 ( 0.675 3.863 2.089) 4.444 18.292 ( 3.431 1.327 -5.218) 6.384 ======================= Grid point 657 (179/189) ======================= q-point: ( 0.67 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.980 ( -0.223 5.686 33.707) 34.184 4.588 ( 5.482 -0.031 6.818) 8.749 4.715 ( 6.435 6.094 -21.623) 23.369 4.967 ( 6.207 4.790 -14.261) 16.274 5.357 ( -13.142 2.407 -0.543) 13.371 5.791 ( 11.054 -1.248 1.493) 11.224 6.713 ( -14.797 -13.032 -2.546) 19.881 6.917 ( -6.796 -15.698 -7.565) 18.704 8.092 ( -9.799 8.186 -12.321) 17.743 8.419 ( 14.330 5.325 11.936) 19.395 8.668 ( -6.266 -0.296 -3.891) 7.382 8.866 ( 6.248 -3.542 6.981) 10.016 13.581 ( -3.520 -2.775 -2.991) 5.388 13.621 ( -3.246 -3.828 -5.903) 7.748 13.837 ( -1.018 -0.511 -0.809) 1.397 13.846 ( -0.681 -2.215 4.804) 5.333 14.289 ( 1.257 0.667 1.003) 1.741 14.324 ( 0.842 2.354 -3.988) 4.706 16.262 ( -7.050 -1.232 6.211) 9.477 16.307 ( -5.446 2.061 6.110) 8.441 16.495 ( 7.640 0.889 1.101) 7.770 16.763 ( 6.707 -7.057 -7.721) 12.426 17.111 ( 3.235 7.656 -0.885) 8.358 17.120 ( 3.373 3.636 5.786) 7.620 17.527 ( -4.512 -0.345 4.098) 6.105 17.691 ( 1.048 -1.338 -0.727) 1.849 17.754 ( -0.682 2.375 0.691) 2.566 17.852 ( 3.030 1.804 -1.127) 3.702 18.186 ( -1.205 1.953 3.017) 3.791 18.329 ( 2.787 0.085 -2.642) 3.841 ======================= Grid point 668 (180/189) ======================= q-point: ( 0.50 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.897 ( -0.000 0.124 40.473) 40.473 4.162 ( -0.000 7.181 34.268) 35.012 4.769 ( 0.000 -3.604 -37.821) 37.992 4.844 ( 0.000 3.199 -25.187) 25.390 5.359 ( -0.000 2.315 13.999) 14.189 5.757 ( 0.000 0.330 -4.763) 4.774 7.437 ( 0.000 -23.141 -6.020) 23.911 7.527 ( 0.000 -22.979 0.009) 22.979 7.726 ( -0.000 5.465 6.666) 8.619 8.292 ( 0.000 11.745 -15.381) 19.352 8.590 ( -0.000 1.128 7.642) 7.725 8.844 ( 0.000 9.088 -4.871) 10.311 13.593 ( -0.000 -5.903 10.667) 12.192 13.705 ( -0.000 -7.332 10.358) 12.691 13.867 ( -0.000 -2.640 1.579) 3.076 14.028 ( 0.000 -0.125 -5.686) 5.688 14.113 ( -0.000 4.583 9.537) 10.581 14.330 ( 0.000 0.595 -7.999) 8.021 16.232 ( -0.000 3.997 -0.241) 4.005 16.347 ( 0.000 6.504 -5.656) 8.619 16.576 ( 0.000 -5.662 -4.474) 7.216 16.770 ( -0.000 -3.091 9.745) 10.223 16.826 ( -0.000 3.960 -0.095) 3.961 17.124 ( 0.000 5.948 -5.518) 8.113 17.627 ( -0.000 -1.321 1.474) 1.979 17.663 ( -0.000 -1.788 1.777) 2.521 17.730 ( -0.000 4.045 0.340) 4.059 17.793 ( 0.000 -1.299 -5.263) 5.421 18.125 ( -0.000 6.905 1.790) 7.133 18.220 ( 0.000 1.685 -7.186) 7.380 ======================= Grid point 669 (181/189) ======================= q-point: ( 0.58 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.119 ( -4.656 4.061 40.053) 40.527 4.385 ( 3.528 -0.317 1.123) 3.716 4.585 ( 2.083 5.135 -11.174) 12.473 4.770 ( 3.866 5.526 -23.801) 24.738 5.470 ( 6.760 -3.724 6.279) 9.949 5.703 ( -5.842 3.672 -3.985) 7.968 7.145 ( -4.947 -23.142 -3.811) 23.970 7.197 ( -12.205 -19.560 1.284) 23.091 7.948 ( 12.537 2.985 10.371) 16.542 8.288 ( -3.784 14.260 -13.131) 19.751 8.675 ( 4.405 -2.064 6.913) 8.453 8.859 ( -3.597 5.589 -5.952) 8.922 13.609 ( 1.269 -5.369 7.447) 9.268 13.674 ( -1.493 -6.590 4.782) 8.278 13.842 ( -0.465 -3.284 3.384) 4.739 13.963 ( -2.884 -0.482 -6.982) 7.569 14.215 ( 1.720 2.368 7.335) 7.897 14.304 ( 0.784 1.613 -6.027) 6.288 16.293 ( 3.096 3.154 0.546) 4.453 16.378 ( -1.229 7.245 -3.282) 8.048 16.525 ( 4.847 -7.477 -5.961) 10.721 16.657 ( -11.529 0.162 4.921) 12.536 16.965 ( 5.741 3.185 5.741) 8.721 17.122 ( -1.051 4.937 -7.668) 9.180 17.626 ( 1.822 -2.726 -0.571) 3.328 17.663 ( -1.594 0.295 2.448) 2.936 17.758 ( 0.811 -0.044 -2.439) 2.570 17.774 ( 0.000 4.155 0.097) 4.156 18.204 ( 0.007 5.315 3.259) 6.235 18.220 ( 2.494 1.831 -5.114) 5.977 ======================= Grid point 670 (182/189) ======================= q-point: ( 0.67 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 440 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.297 ( 7.068 -3.015 -33.819) 34.681 4.297 ( -6.145 4.613 33.819) 34.681 4.801 ( 7.448 9.654 -18.067) 21.796 4.801 ( 4.637 11.277 18.067) 21.796 5.587 ( -8.825 4.301 -2.855) 10.224 5.587 ( 8.138 -5.492 2.855) 10.224 6.820 ( -6.315 -20.322 -2.829) 21.468 6.820 ( -14.442 -15.630 2.829) 21.468 8.273 ( -6.933 14.180 -11.624) 19.603 8.273 ( 15.747 1.086 11.624) 19.603 8.759 ( -7.462 2.006 -5.784) 9.652 8.759 ( 5.468 -5.459 5.784) 9.652 13.599 ( -2.311 -3.498 -2.020) 4.654 13.599 ( -1.874 -3.751 2.020) 4.654 13.849 ( -3.764 -0.878 -7.974) 8.861 13.849 ( 1.121 -3.699 7.974) 8.861 14.301 ( 0.424 2.216 -5.585) 6.023 14.301 ( 1.707 1.475 5.585) 6.023 16.380 ( 0.761 0.527 -3.534) 3.653 16.380 ( 0.076 0.922 3.534) 3.653 16.518 ( 6.666 -6.451 -9.656) 13.390 16.518 ( -8.920 2.548 9.656) 13.390 17.124 ( 1.038 6.472 -6.482) 9.218 17.124 ( 5.086 4.134 6.482) 9.218 17.624 ( 2.251 -3.569 -2.519) 4.914 17.624 ( -4.216 0.164 2.519) 4.914 17.805 ( 1.765 2.597 -2.816) 4.218 17.805 ( 1.367 2.827 2.816) 4.218 18.256 ( 3.524 0.242 -3.520) 4.987 18.256 ( -1.553 3.172 3.520) 4.987 ======================= Grid point 682 (183/189) ======================= q-point: ( 0.58 0.58 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.157 ( 0.000 -3.413 -35.766) 35.928 4.440 ( -0.000 7.166 36.670) 37.363 4.650 ( 0.000 7.109 -23.118) 24.187 4.760 ( -0.000 8.060 25.862) 27.089 5.375 ( 0.000 -7.566 -0.236) 7.569 5.782 ( 0.000 6.752 -2.514) 7.205 6.949 ( 0.000 -23.347 -0.998) 23.368 7.134 ( -0.000 -19.315 4.099) 19.745 7.921 ( -0.000 1.225 11.961) 12.023 8.375 ( 0.000 14.718 -13.210) 19.777 8.654 ( -0.000 -3.551 6.310) 7.241 8.913 ( 0.000 5.660 -6.461) 8.589 13.595 ( -0.000 -5.037 6.908) 8.550 13.657 ( -0.000 -7.201 6.763) 9.879 13.829 ( -0.000 -2.402 1.942) 3.089 13.934 ( 0.000 -1.267 -8.307) 8.403 14.260 ( -0.000 0.832 6.196) 6.251 14.288 ( 0.000 2.670 -3.424) 4.342 16.285 ( 0.000 0.851 -1.209) 1.479 16.368 ( 0.000 -7.022 -8.892) 11.330 16.451 ( 0.000 8.501 -2.183) 8.777 16.826 ( -0.000 -2.401 9.207) 9.515 16.956 ( -0.000 8.600 1.028) 8.661 17.122 ( 0.000 4.240 -8.393) 9.403 17.568 ( 0.000 -3.749 -2.790) 4.674 17.685 ( -0.000 0.779 1.490) 1.681 17.744 ( 0.000 -0.028 -1.340) 1.340 17.814 ( -0.000 3.797 0.635) 3.850 18.181 ( 0.000 1.195 -4.304) 4.467 18.282 ( -0.000 4.955 3.846) 6.272 ======================= Grid point 805 (184/189) ======================= q-point: ( 0.42 0.42 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.790 ( -0.000 0.000 36.490) 36.490 3.790 ( -0.000 0.000 36.490) 36.490 5.000 ( 0.000 -0.000 -30.318) 30.318 5.000 ( 0.000 -0.000 -30.318) 30.318 5.017 ( -0.000 0.000 38.320) 38.320 5.851 ( 0.000 -0.000 -9.424) 9.424 7.579 ( -0.000 0.000 0.103) 0.103 8.050 ( 0.000 -0.000 -23.783) 23.783 8.250 ( -0.000 0.000 3.023) 3.023 8.250 ( -0.000 0.000 3.023) 3.023 8.386 ( 0.000 0.000 -4.034) 4.034 8.386 ( 0.000 0.000 -4.034) 4.034 13.708 ( -0.000 0.000 20.030) 20.030 13.771 ( -0.000 0.000 12.317) 12.317 13.771 ( -0.000 0.000 12.317) 12.317 14.024 ( 0.000 -0.000 -0.650) 0.650 14.024 ( 0.000 -0.000 -0.650) 0.650 14.378 ( 0.000 -0.000 -14.212) 14.212 16.167 ( 0.000 -0.000 -2.179) 2.179 16.279 ( 0.000 -0.000 -9.446) 9.446 16.713 ( -0.000 0.000 6.146) 6.146 16.713 ( -0.000 0.000 6.146) 6.146 16.898 ( 0.000 -0.000 -0.796) 0.796 16.898 ( -0.000 -0.000 -0.796) 0.796 17.631 ( -0.000 0.000 2.107) 2.107 17.631 ( -0.000 0.000 2.107) 2.107 17.842 ( -0.000 0.000 10.823) 10.823 17.876 ( 0.000 -0.000 -12.302) 12.302 17.876 ( 0.000 -0.000 -12.302) 12.302 18.227 ( 0.000 -0.000 -9.539) 9.539 ======================= Grid point 806 (185/189) ======================= q-point: ( 0.50 0.42 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.928 ( -6.797 -3.924 39.471) 40.244 4.046 ( 3.744 2.161 33.718) 33.994 4.770 ( -1.866 -1.078 -30.663) 30.738 4.878 ( 4.135 2.388 -32.421) 32.771 5.316 ( 7.164 4.136 27.609) 28.822 5.748 ( -3.605 -2.081 -11.556) 12.282 7.595 ( -2.238 -1.292 3.397) 4.268 7.939 ( 2.551 1.473 -19.545) 19.766 7.965 ( -14.273 -8.240 1.853) 16.585 8.023 ( -13.703 -7.912 -1.825) 15.928 8.521 ( 9.815 5.666 4.663) 12.255 8.634 ( 9.723 5.614 -4.997) 12.289 13.749 ( -3.036 -1.753 14.277) 14.701 13.808 ( -2.622 -1.514 7.442) 8.035 13.902 ( 1.227 0.708 12.699) 12.778 13.952 ( -3.084 -1.780 -2.913) 4.601 14.078 ( 3.794 2.191 -0.318) 4.393 14.303 ( 1.161 0.670 -13.002) 13.071 16.176 ( 1.858 1.073 0.046) 2.146 16.247 ( 1.488 0.859 -6.595) 6.815 16.685 ( -4.538 -2.620 3.225) 6.153 16.799 ( -1.950 -1.126 -2.698) 3.514 16.818 ( 2.729 1.576 8.490) 9.056 16.973 ( 3.054 1.763 -2.343) 4.234 17.654 ( 1.073 0.619 4.313) 4.487 17.665 ( 1.263 0.729 0.768) 1.648 17.735 ( -4.697 -2.712 -1.543) 5.639 17.795 ( -0.500 -0.289 -9.939) 9.956 17.992 ( 4.975 2.872 3.589) 6.773 18.191 ( 2.196 1.268 -9.203) 9.546 ======================= Grid point 807 (186/189) ======================= q-point: ( 0.58 0.42 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.021 ( -6.358 -3.671 41.483) 42.128 4.349 ( 6.281 3.627 29.249) 30.134 4.567 ( 1.251 0.723 -32.937) 32.968 4.793 ( 6.165 3.559 -32.329) 33.104 5.566 ( -6.908 -3.988 -9.346) 12.287 5.599 ( 6.932 4.002 13.450) 15.652 7.367 ( -17.702 -10.220 1.072) 20.468 7.556 ( -19.491 -11.253 -3.101) 22.719 7.921 ( 4.638 2.678 -14.336) 15.303 8.053 ( 8.672 5.007 10.688) 14.646 8.707 ( 3.348 1.933 -2.872) 4.816 8.756 ( 5.735 3.311 2.300) 7.010 13.732 ( -5.099 -2.944 -2.592) 6.433 13.756 ( -2.910 -1.680 6.381) 7.212 13.884 ( -1.991 -1.149 -1.595) 2.798 13.932 ( -2.029 -1.172 4.875) 5.409 14.190 ( 3.983 2.300 5.519) 7.184 14.273 ( 1.704 0.984 -8.361) 8.589 16.258 ( 1.960 1.132 -3.063) 3.808 16.266 ( 5.569 3.215 3.300) 7.228 16.527 ( -8.802 -5.082 1.245) 10.240 16.833 ( 4.509 2.603 -1.104) 5.322 16.892 ( -0.067 -0.039 0.525) 0.531 17.015 ( 2.506 1.447 2.094) 3.572 17.637 ( -4.030 -2.326 0.764) 4.715 17.683 ( 0.423 0.244 -1.139) 1.239 17.711 ( 1.333 0.769 3.903) 4.195 17.766 ( 2.069 1.194 -4.327) 4.942 18.107 ( 3.242 1.872 4.384) 5.765 18.216 ( 4.348 2.510 -6.779) 8.436 ======================= Grid point 819 (187/189) ======================= q-point: ( 0.50 0.50 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.169 ( -0.000 -3.419 35.737) 35.900 4.264 ( -0.000 4.201 35.055) 35.306 4.611 ( 0.000 -2.717 -35.700) 35.803 4.626 ( 0.000 1.815 -30.268) 30.322 5.441 ( -0.000 1.314 23.043) 23.080 5.692 ( 0.000 0.531 -14.303) 14.313 7.672 ( -0.000 4.242 9.067) 10.010 7.749 ( 0.000 -10.359 -12.269) 16.058 7.948 ( -0.000 -20.663 1.793) 20.741 8.089 ( 0.000 -3.582 -8.001) 8.767 8.534 ( -0.000 9.292 5.326) 10.710 8.611 ( 0.000 12.680 -4.519) 13.461 13.788 ( -0.000 -7.529 10.764) 13.136 13.868 ( -0.000 -4.402 7.164) 8.409 13.920 ( -0.000 -2.187 0.859) 2.350 13.994 ( 0.000 -0.091 -6.184) 6.185 14.071 ( -0.000 5.942 10.596) 12.149 14.227 ( 0.000 3.460 -13.327) 13.769 16.178 ( -0.000 2.076 1.261) 2.429 16.220 ( 0.000 3.089 -5.042) 5.913 16.694 ( -0.000 -6.716 2.576) 7.193 16.793 ( 0.000 -1.165 -2.433) 2.698 16.852 ( -0.000 0.686 7.935) 7.964 16.972 ( 0.000 6.471 -4.954) 8.150 17.665 ( -0.000 -0.881 4.153) 4.246 17.683 ( -0.000 1.401 2.785) 3.117 17.708 ( 0.000 -2.608 -3.745) 4.563 17.760 ( 0.000 0.403 -7.500) 7.511 18.030 ( -0.000 5.160 7.358) 8.987 18.130 ( 0.000 2.318 -9.277) 9.562 ======================= Grid point 820 (188/189) ======================= q-point: ( 0.58 0.50 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 438 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.332 ( 0.618 -4.245 -35.842) 36.098 4.332 ( -3.985 -1.587 35.842) 36.098 4.522 ( 5.571 3.331 -29.129) 29.844 4.522 ( 0.099 6.490 29.129) 29.844 5.590 ( -4.310 3.051 -12.805) 13.850 5.590 ( 4.797 -2.207 12.805) 13.850 7.540 ( -4.101 -20.065 -4.139) 20.894 7.540 ( -15.326 -13.584 4.139) 20.894 7.972 ( -6.422 9.977 -10.897) 16.110 7.972 ( 11.851 -0.573 10.897) 16.110 8.699 ( 0.856 7.281 -6.031) 9.493 8.699 ( 5.878 4.382 6.031) 9.493 13.765 ( -5.412 -4.012 -5.033) 8.409 13.765 ( -0.769 -6.692 5.033) 8.409 13.933 ( -2.196 -0.683 -5.512) 5.973 13.933 ( 0.506 -2.243 5.512) 5.973 14.209 ( 1.647 3.573 -9.425) 10.213 14.209 ( 2.271 3.212 9.425) 10.213 16.241 ( 1.097 4.493 -3.153) 5.598 16.241 ( 3.343 3.197 3.153) 5.598 16.667 ( 2.500 -7.391 -1.879) 8.025 16.667 ( -7.651 -1.530 1.879) 8.025 16.979 ( -0.752 4.851 -7.803) 9.219 16.979 ( 4.577 1.774 7.803) 9.219 17.672 ( -1.640 -0.464 -0.687) 1.838 17.672 ( 0.419 -1.652 0.687) 1.838 17.726 ( 0.660 1.268 -3.832) 4.090 17.726 ( 0.769 1.206 3.832) 4.090 18.135 ( 3.278 3.329 -6.661) 8.137 18.135 ( 1.244 4.503 6.661) 8.137 ======================= Grid point 976 (189/189) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.423 ( 0.000 -0.000 -33.494) 33.494 4.423 ( 0.000 -0.000 -33.494) 33.494 4.423 ( -0.000 0.000 33.494) 33.494 4.423 ( -0.000 0.000 33.494) 33.494 5.571 ( 0.000 -0.000 -22.630) 22.630 5.571 ( -0.000 0.000 22.630) 22.630 7.700 ( 0.000 -0.000 -13.601) 13.601 7.700 ( -0.000 0.000 13.601) 13.601 8.313 ( 0.000 -0.000 -3.892) 3.892 8.313 ( -0.000 0.000 3.892) 3.892 8.313 ( 0.000 -0.000 -3.892) 3.892 8.313 ( -0.000 0.000 3.892) 3.892 13.951 ( 0.000 -0.000 -7.285) 7.285 13.951 ( 0.000 -0.000 -7.285) 7.285 13.951 ( -0.000 0.000 7.285) 7.285 13.951 ( -0.000 0.000 7.285) 7.285 14.069 ( 0.000 -0.000 -19.244) 19.244 14.069 ( -0.000 0.000 19.244) 19.244 16.170 ( 0.000 -0.000 -2.800) 2.800 16.170 ( -0.000 0.000 2.800) 2.800 16.833 ( 0.000 -0.000 -6.058) 6.058 16.833 ( 0.000 -0.000 -6.058) 6.058 16.833 ( -0.000 0.000 6.058) 6.058 16.833 ( -0.000 0.000 6.058) 6.058 17.704 ( 0.000 -0.000 -6.546) 6.546 17.704 ( 0.000 -0.000 -6.546) 6.546 17.704 ( -0.000 0.000 6.546) 6.546 17.704 ( -0.000 0.000 6.546) 6.546 18.040 ( 0.000 -0.000 -10.853) 10.853 18.040 ( -0.000 0.000 10.853) 10.853 =================== 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 3/51840 10.0 24884.446 24884.446 22451.041 0.000 -0.000 -0.000 3/51840 20.0 9060.741 9060.741 10119.110 0.000 -0.000 -0.000 3/51840 30.0 4392.956 4392.956 4849.757 0.000 -0.000 -0.000 3/51840 40.0 2465.741 2465.741 2714.694 0.000 -0.000 -0.000 3/51840 50.0 1574.954 1574.954 1744.262 0.000 -0.000 -0.000 3/51840 60.0 1105.068 1105.068 1226.026 0.000 -0.000 -0.000 3/51840 70.0 825.011 825.011 911.986 0.000 -0.000 -0.000 3/51840 80.0 640.502 640.502 703.288 0.000 -0.000 -0.000 3/51840 90.0 510.215 510.215 555.787 0.000 -0.000 -0.000 3/51840 100.0 414.207 414.207 447.460 0.000 -0.000 -0.000 3/51840 110.0 341.643 341.643 366.017 0.000 -0.000 -0.000 3/51840 120.0 285.905 285.905 303.838 0.000 -0.000 -0.000 3/51840 130.0 242.560 242.560 255.794 0.000 -0.000 -0.000 3/51840 140.0 208.474 208.474 218.261 0.000 -0.000 -0.000 3/51840 150.0 181.370 181.370 188.612 0.000 -0.000 -0.000 3/51840 160.0 159.574 159.574 164.922 0.000 -0.000 -0.000 3/51840 170.0 141.847 141.847 145.776 0.000 -0.000 -0.000 3/51840 180.0 127.268 127.268 130.125 0.000 -0.000 -0.000 3/51840 190.0 115.149 115.149 117.189 0.000 -0.000 -0.000 3/51840 200.0 104.969 104.969 106.383 0.000 -0.000 -0.000 3/51840 210.0 96.337 96.337 97.265 0.000 -0.000 -0.000 3/51840 220.0 88.948 88.948 89.500 0.000 -0.000 -0.000 3/51840 230.0 82.571 82.571 82.827 0.000 -0.000 -0.000 3/51840 240.0 77.022 77.022 77.047 0.000 -0.000 -0.000 3/51840 250.0 72.159 72.159 72.001 0.000 -0.000 -0.000 3/51840 260.0 67.868 67.868 67.565 0.000 -0.000 -0.000 3/51840 270.0 64.058 64.058 63.639 0.000 -0.000 -0.000 3/51840 280.0 60.655 60.655 60.145 0.000 -0.000 -0.000 3/51840 290.0 57.599 57.599 57.017 0.000 -0.000 -0.000 3/51840 300.0 54.841 54.841 54.202 0.000 -0.000 -0.000 3/51840 310.0 52.341 52.341 51.656 0.000 -0.000 -0.000 3/51840 320.0 50.064 50.064 49.345 0.000 -0.000 -0.000 3/51840 330.0 47.983 47.983 47.236 0.000 -0.000 -0.000 3/51840 340.0 46.073 46.073 45.306 0.000 -0.000 -0.000 3/51840 350.0 44.314 44.314 43.532 0.000 -0.000 -0.000 3/51840 360.0 42.690 42.690 41.896 0.000 -0.000 -0.000 3/51840 370.0 41.185 41.185 40.384 0.000 -0.000 -0.000 3/51840 380.0 39.786 39.786 38.981 0.000 -0.000 -0.000 3/51840 390.0 38.484 38.484 37.677 0.000 -0.000 -0.000 3/51840 400.0 37.267 37.267 36.460 0.000 -0.000 -0.000 3/51840 410.0 36.128 36.128 35.323 0.000 -0.000 -0.000 3/51840 420.0 35.060 35.060 34.258 0.000 -0.000 -0.000 3/51840 430.0 34.056 34.056 33.258 0.000 -0.000 -0.000 3/51840 440.0 33.110 33.110 32.317 0.000 -0.000 -0.000 3/51840 450.0 32.217 32.217 31.431 0.000 -0.000 -0.000 3/51840 460.0 31.374 31.374 30.594 0.000 -0.000 -0.000 3/51840 470.0 30.576 30.576 29.802 0.000 -0.000 -0.000 3/51840 480.0 29.818 29.818 29.052 0.000 -0.000 -0.000 3/51840 490.0 29.100 29.100 28.341 0.000 -0.000 -0.000 3/51840 500.0 28.416 28.416 27.665 0.000 -0.000 -0.000 3/51840 510.0 27.765 27.765 27.023 0.000 -0.000 -0.000 3/51840 520.0 27.145 27.145 26.410 0.000 -0.000 -0.000 3/51840 530.0 26.553 26.553 25.826 0.000 -0.000 -0.000 3/51840 540.0 25.987 25.987 25.269 0.000 -0.000 -0.000 3/51840 550.0 25.446 25.446 24.736 0.000 -0.000 -0.000 3/51840 560.0 24.927 24.927 24.226 0.000 -0.000 -0.000 3/51840 570.0 24.431 24.431 23.737 0.000 -0.000 -0.000 3/51840 580.0 23.954 23.954 23.269 0.000 -0.000 -0.000 3/51840 590.0 23.497 23.497 22.819 0.000 -0.000 -0.000 3/51840 600.0 23.057 23.057 22.388 0.000 -0.000 -0.000 3/51840 610.0 22.634 22.634 21.973 0.000 -0.000 -0.000 3/51840 620.0 22.227 22.227 21.573 0.000 -0.000 -0.000 3/51840 630.0 21.835 21.835 21.189 0.000 -0.000 -0.000 3/51840 640.0 21.456 21.456 20.818 0.000 -0.000 -0.000 3/51840 650.0 21.092 21.092 20.461 0.000 -0.000 -0.000 3/51840 660.0 20.739 20.739 20.116 0.000 -0.000 -0.000 3/51840 670.0 20.399 20.399 19.783 0.000 -0.000 -0.000 3/51840 680.0 20.070 20.070 19.461 0.000 -0.000 -0.000 3/51840 690.0 19.752 19.752 19.150 0.000 -0.000 -0.000 3/51840 700.0 19.444 19.444 18.849 0.000 -0.000 -0.000 3/51840 710.0 19.146 19.146 18.558 0.000 -0.000 -0.000 3/51840 720.0 18.857 18.857 18.276 0.000 -0.000 -0.000 3/51840 730.0 18.577 18.577 18.002 0.000 -0.000 -0.000 3/51840 740.0 18.306 18.306 17.737 0.000 -0.000 -0.000 3/51840 750.0 18.042 18.042 17.480 0.000 -0.000 -0.000 3/51840 760.0 17.787 17.787 17.231 0.000 -0.000 -0.000 3/51840 770.0 17.538 17.538 16.988 0.000 -0.000 -0.000 3/51840 780.0 17.297 17.297 16.753 0.000 -0.000 -0.000 3/51840 790.0 17.062 17.062 16.524 0.000 -0.000 -0.000 3/51840 800.0 16.834 16.834 16.302 0.000 -0.000 -0.000 3/51840 810.0 16.612 16.612 16.085 0.000 -0.000 -0.000 3/51840 820.0 16.396 16.396 15.875 0.000 -0.000 -0.000 3/51840 830.0 16.186 16.186 15.670 0.000 -0.000 -0.000 3/51840 840.0 15.981 15.981 15.470 0.000 -0.000 -0.000 3/51840 850.0 15.781 15.781 15.276 0.000 -0.000 -0.000 3/51840 860.0 15.586 15.586 15.086 0.000 -0.000 -0.000 3/51840 870.0 15.397 15.397 14.902 0.000 -0.000 -0.000 3/51840 880.0 15.212 15.212 14.722 0.000 -0.000 -0.000 3/51840 890.0 15.031 15.031 14.546 0.000 -0.000 -0.000 3/51840 900.0 14.855 14.855 14.374 0.000 -0.000 -0.000 3/51840 910.0 14.683 14.683 14.207 0.000 -0.000 -0.000 3/51840 920.0 14.515 14.515 14.044 0.000 -0.000 -0.000 3/51840 930.0 14.350 14.350 13.884 0.000 -0.000 -0.000 3/51840 940.0 14.190 14.190 13.728 0.000 -0.000 -0.000 3/51840 950.0 14.033 14.033 13.576 0.000 -0.000 -0.000 3/51840 960.0 13.880 13.880 13.427 0.000 -0.000 -0.000 3/51840 970.0 13.730 13.730 13.281 0.000 -0.000 -0.000 3/51840 980.0 13.583 13.583 13.139 0.000 -0.000 -0.000 3/51840 990.0 13.440 13.440 12.999 0.000 -0.000 -0.000 3/51840 1000.0 13.299 13.299 12.863 0.000 -0.000 -0.000 3/51840 Thermal conductivity related properties were written into "kappa-m121212.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 10:38:38]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|