----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 22:58:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 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 2.382543759225735 1.375562280745038 5.072121663333328 b -2.382543759225729 1.375562280745038 5.072121663333328 c 0.000000000000002 -2.751124561490080 5.072121663333328 Atomic positions (fractional): *1 B 0.25000000000000 0.25000000000000 0.25000000000000 10.811 2 B 0.75000000000000 0.75000000000000 0.75000000000000 10.811 *3 O 0.95959360383444 0.25000000000000 0.54040639616556 15.999 4 O 0.25000000000000 0.54040639616556 0.95959360383444 15.999 5 O 0.45959360383444 0.04040639616556 0.75000000000000 15.999 6 O 0.04040639616556 0.75000000000000 0.45959360383444 15.999 7 O 0.75000000000000 0.45959360383444 0.04040639616556 15.999 8 O 0.54040639616556 0.95959360383444 0.25000000000000 15.999 *9 Sc 0.50000000000000 0.50000000000000 0.50000000000000 44.956 10 Sc 0.00000000000000 0.00000000000000 0.00000000000000 44.956 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.765087518451464 0.000000000000000 0.000000000000000 b -2.382543759225732 4.126686842235118 0.000000000000000 c 0.000000000000000 0.000000000000000 15.216364989999999 Atomic positions (fractional): *1 B 0.00000000000000 0.00000000000000 0.25000000000000 10.811 > 1 2 B 0.66666666666667 0.33333333333333 0.08333333333333 10.811 > 2 3 B 0.66666666666667 0.33333333333333 0.58333333333333 10.811 > 1 4 B 0.33333333333333 0.66666666666667 0.41666666666667 10.811 > 2 5 B 0.33333333333333 0.66666666666667 0.91666666666667 10.811 > 1 6 B 0.00000000000000 0.00000000000000 0.75000000000000 10.811 > 2 *7 O 0.70959360383444 0.70959360383444 0.25000000000000 15.999 > 3 8 O 0.00000000000000 0.29040639616556 0.25000000000000 15.999 > 4 9 O 0.37626027050111 0.33333333333333 0.08333333333333 15.999 > 5 10 O 0.95707306283222 0.62373972949889 0.08333333333333 15.999 > 6 11 O 0.66666666666667 0.04292693716778 0.08333333333333 15.999 > 7 12 O 0.29040639616556 0.00000000000000 0.25000000000000 15.999 > 8 13 O 0.37626027050111 0.04292693716778 0.58333333333333 15.999 > 3 14 O 0.66666666666667 0.62373972949889 0.58333333333333 15.999 > 4 15 O 0.04292693716778 0.66666666666667 0.41666666666667 15.999 > 5 16 O 0.62373972949889 0.95707306283222 0.41666666666667 15.999 > 6 17 O 0.33333333333333 0.37626027050111 0.41666666666667 15.999 > 7 18 O 0.95707306283222 0.33333333333333 0.58333333333333 15.999 > 8 19 O 0.04292693716778 0.37626027050111 0.91666666666667 15.999 > 3 20 O 0.33333333333333 0.95707306283222 0.91666666666667 15.999 > 4 21 O 0.70959360383444 0.00000000000000 0.75000000000000 15.999 > 5 22 O 0.29040639616556 0.29040639616556 0.75000000000000 15.999 > 6 23 O 0.00000000000000 0.70959360383444 0.75000000000000 15.999 > 7 24 O 0.62373972949889 0.66666666666667 0.91666666666667 15.999 > 8 *25 Sc 0.33333333333333 0.66666666666667 0.16666666666667 44.956 > 9 26 Sc 0.00000000000000 0.00000000000000 0.00000000000000 44.956 > 10 27 Sc 0.00000000000000 0.00000000000000 0.50000000000000 44.956 > 9 28 Sc 0.66666666666667 0.33333333333333 0.33333333333333 44.956 > 10 29 Sc 0.66666666666667 0.33333333333333 0.83333333333333 44.956 > 9 30 Sc 0.33333333333333 0.66666666666667 0.66666666666667 44.956 > 10 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.530175036902929 0.000000000000000 0.000000000000000 b -4.765087518451464 8.253373684470237 0.000000000000000 c 0.000000000000000 0.000000000000000 15.216364989999999 Atomic positions (fractional): *1 B 0.00000000000000 0.00000000000000 0.25000000000000 10.811 > 1 2 B 0.50000000000000 0.00000000000000 0.25000000000000 10.811 > 1 3 B 0.00000000000000 0.50000000000000 0.25000000000000 10.811 > 1 4 B 0.50000000000000 0.50000000000000 0.25000000000000 10.811 > 1 5 B 0.33333333333333 0.16666666666667 0.08333333333333 10.811 > 2 6 B 0.83333333333333 0.16666666666667 0.08333333333333 10.811 > 2 7 B 0.33333333333333 0.66666666666667 0.08333333333333 10.811 > 2 8 B 0.83333333333333 0.66666666666667 0.08333333333333 10.811 > 2 9 B 0.33333333333333 0.16666666666667 0.58333333333333 10.811 > 1 10 B 0.83333333333333 0.16666666666667 0.58333333333333 10.811 > 1 11 B 0.33333333333333 0.66666666666667 0.58333333333333 10.811 > 1 12 B 0.83333333333333 0.66666666666667 0.58333333333333 10.811 > 1 13 B 0.16666666666667 0.33333333333333 0.41666666666667 10.811 > 2 14 B 0.66666666666667 0.33333333333333 0.41666666666667 10.811 > 2 15 B 0.16666666666667 0.83333333333333 0.41666666666667 10.811 > 2 16 B 0.66666666666667 0.83333333333333 0.41666666666667 10.811 > 2 17 B 0.16666666666667 0.33333333333333 0.91666666666667 10.811 > 1 18 B 0.66666666666667 0.33333333333333 0.91666666666667 10.811 > 1 19 B 0.16666666666667 0.83333333333333 0.91666666666667 10.811 > 1 20 B 0.66666666666667 0.83333333333333 0.91666666666667 10.811 > 1 21 B 0.00000000000000 0.00000000000000 0.75000000000000 10.811 > 2 22 B 0.50000000000000 0.00000000000000 0.75000000000000 10.811 > 2 23 B 0.00000000000000 0.50000000000000 0.75000000000000 10.811 > 2 24 B 0.50000000000000 0.50000000000000 0.75000000000000 10.811 > 2 *25 O 0.35479680191722 0.35479680191722 0.25000000000000 15.999 > 3 26 O 0.85479680191722 0.35479680191722 0.25000000000000 15.999 > 3 27 O 0.35479680191722 0.85479680191722 0.25000000000000 15.999 > 3 28 O 0.85479680191722 0.85479680191722 0.25000000000000 15.999 > 3 29 O 0.00000000000000 0.14520319808278 0.25000000000000 15.999 > 4 30 O 0.50000000000000 0.14520319808278 0.25000000000000 15.999 > 4 31 O 0.00000000000000 0.64520319808278 0.25000000000000 15.999 > 4 32 O 0.50000000000000 0.64520319808278 0.25000000000000 15.999 > 4 33 O 0.18813013525055 0.16666666666667 0.08333333333333 15.999 > 5 34 O 0.68813013525055 0.16666666666667 0.08333333333333 15.999 > 5 35 O 0.18813013525055 0.66666666666667 0.08333333333333 15.999 > 5 36 O 0.68813013525055 0.66666666666667 0.08333333333333 15.999 > 5 37 O 0.47853653141611 0.31186986474945 0.08333333333333 15.999 > 6 38 O 0.97853653141611 0.31186986474945 0.08333333333333 15.999 > 6 39 O 0.47853653141611 0.81186986474945 0.08333333333333 15.999 > 6 40 O 0.97853653141611 0.81186986474945 0.08333333333333 15.999 > 6 41 O 0.33333333333333 0.02146346858389 0.08333333333333 15.999 > 7 42 O 0.83333333333333 0.02146346858389 0.08333333333333 15.999 > 7 43 O 0.33333333333333 0.52146346858389 0.08333333333333 15.999 > 7 44 O 0.83333333333333 0.52146346858389 0.08333333333333 15.999 > 7 45 O 0.14520319808278 0.00000000000000 0.25000000000000 15.999 > 8 46 O 0.64520319808278 0.00000000000000 0.25000000000000 15.999 > 8 47 O 0.14520319808278 0.50000000000000 0.25000000000000 15.999 > 8 48 O 0.64520319808278 0.50000000000000 0.25000000000000 15.999 > 8 49 O 0.18813013525055 0.02146346858389 0.58333333333333 15.999 > 3 50 O 0.68813013525055 0.02146346858389 0.58333333333333 15.999 > 3 51 O 0.18813013525055 0.52146346858389 0.58333333333333 15.999 > 3 52 O 0.68813013525055 0.52146346858389 0.58333333333333 15.999 > 3 53 O 0.33333333333333 0.31186986474945 0.58333333333333 15.999 > 4 54 O 0.83333333333333 0.31186986474945 0.58333333333333 15.999 > 4 55 O 0.33333333333333 0.81186986474945 0.58333333333333 15.999 > 4 56 O 0.83333333333333 0.81186986474945 0.58333333333333 15.999 > 4 57 O 0.02146346858389 0.33333333333333 0.41666666666667 15.999 > 5 58 O 0.52146346858389 0.33333333333333 0.41666666666667 15.999 > 5 59 O 0.02146346858389 0.83333333333333 0.41666666666667 15.999 > 5 60 O 0.52146346858389 0.83333333333333 0.41666666666667 15.999 > 5 61 O 0.31186986474945 0.47853653141611 0.41666666666667 15.999 > 6 62 O 0.81186986474945 0.47853653141611 0.41666666666667 15.999 > 6 63 O 0.31186986474945 0.97853653141611 0.41666666666667 15.999 > 6 64 O 0.81186986474945 0.97853653141611 0.41666666666667 15.999 > 6 65 O 0.16666666666667 0.18813013525055 0.41666666666667 15.999 > 7 66 O 0.66666666666667 0.18813013525055 0.41666666666667 15.999 > 7 67 O 0.16666666666667 0.68813013525055 0.41666666666667 15.999 > 7 68 O 0.66666666666667 0.68813013525055 0.41666666666667 15.999 > 7 69 O 0.47853653141611 0.16666666666667 0.58333333333333 15.999 > 8 70 O 0.97853653141611 0.16666666666667 0.58333333333333 15.999 > 8 71 O 0.47853653141611 0.66666666666667 0.58333333333333 15.999 > 8 72 O 0.97853653141611 0.66666666666667 0.58333333333333 15.999 > 8 73 O 0.02146346858389 0.18813013525055 0.91666666666667 15.999 > 3 74 O 0.52146346858389 0.18813013525055 0.91666666666667 15.999 > 3 75 O 0.02146346858389 0.68813013525055 0.91666666666667 15.999 > 3 76 O 0.52146346858389 0.68813013525055 0.91666666666667 15.999 > 3 77 O 0.16666666666667 0.47853653141611 0.91666666666667 15.999 > 4 78 O 0.66666666666667 0.47853653141611 0.91666666666667 15.999 > 4 79 O 0.16666666666667 0.97853653141611 0.91666666666667 15.999 > 4 80 O 0.66666666666667 0.97853653141611 0.91666666666667 15.999 > 4 81 O 0.35479680191722 0.00000000000000 0.75000000000000 15.999 > 5 82 O 0.85479680191722 0.00000000000000 0.75000000000000 15.999 > 5 83 O 0.35479680191722 0.50000000000000 0.75000000000000 15.999 > 5 84 O 0.85479680191722 0.50000000000000 0.75000000000000 15.999 > 5 85 O 0.14520319808278 0.14520319808278 0.75000000000000 15.999 > 6 86 O 0.64520319808278 0.14520319808278 0.75000000000000 15.999 > 6 87 O 0.14520319808278 0.64520319808278 0.75000000000000 15.999 > 6 88 O 0.64520319808278 0.64520319808278 0.75000000000000 15.999 > 6 89 O 0.00000000000000 0.35479680191722 0.75000000000000 15.999 > 7 90 O 0.50000000000000 0.35479680191722 0.75000000000000 15.999 > 7 91 O 0.00000000000000 0.85479680191722 0.75000000000000 15.999 > 7 92 O 0.50000000000000 0.85479680191722 0.75000000000000 15.999 > 7 93 O 0.31186986474945 0.33333333333333 0.91666666666667 15.999 > 8 94 O 0.81186986474945 0.33333333333333 0.91666666666667 15.999 > 8 95 O 0.31186986474945 0.83333333333333 0.91666666666667 15.999 > 8 96 O 0.81186986474945 0.83333333333333 0.91666666666667 15.999 > 8 *97 Sc 0.16666666666667 0.33333333333333 0.16666666666667 44.956 > 9 98 Sc 0.66666666666667 0.33333333333333 0.16666666666667 44.956 > 9 99 Sc 0.16666666666667 0.83333333333333 0.16666666666667 44.956 > 9 100 Sc 0.66666666666667 0.83333333333333 0.16666666666667 44.956 > 9 101 Sc 0.00000000000000 0.00000000000000 0.00000000000000 44.956 > 10 102 Sc 0.50000000000000 0.00000000000000 0.00000000000000 44.956 > 10 103 Sc 0.00000000000000 0.50000000000000 0.00000000000000 44.956 > 10 104 Sc 0.50000000000000 0.50000000000000 0.00000000000000 44.956 > 10 105 Sc 0.00000000000000 0.00000000000000 0.50000000000000 44.956 > 9 106 Sc 0.50000000000000 0.00000000000000 0.50000000000000 44.956 > 9 107 Sc 0.00000000000000 0.50000000000000 0.50000000000000 44.956 > 9 108 Sc 0.50000000000000 0.50000000000000 0.50000000000000 44.956 > 9 109 Sc 0.33333333333333 0.16666666666667 0.33333333333333 44.956 > 10 110 Sc 0.83333333333333 0.16666666666667 0.33333333333333 44.956 > 10 111 Sc 0.33333333333333 0.66666666666667 0.33333333333333 44.956 > 10 112 Sc 0.83333333333333 0.66666666666667 0.33333333333333 44.956 > 10 113 Sc 0.33333333333333 0.16666666666667 0.83333333333333 44.956 > 9 114 Sc 0.83333333333333 0.16666666666667 0.83333333333333 44.956 > 9 115 Sc 0.33333333333333 0.66666666666667 0.83333333333333 44.956 > 9 116 Sc 0.83333333333333 0.66666666666667 0.83333333333333 44.956 > 9 117 Sc 0.16666666666667 0.33333333333333 0.66666666666667 44.956 > 10 118 Sc 0.66666666666667 0.33333333333333 0.66666666666667 44.956 > 10 119 Sc 0.16666666666667 0.83333333333333 0.66666666666667 44.956 > 10 120 Sc 0.66666666666667 0.83333333333333 0.66666666666667 44.956 > 10 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.0783191 -0.0000000 0.0000000 0.0000000 4.0783191 0.0000000 0.0000000 0.0000000 3.7006217 -------------------------- Born effective charges -------------------------- 1 B 3.0777344 -0.0000000 -0.0000000 0.0000000 3.0777344 0.0000000 0.0000000 -0.0000000 0.8569755 2 B 3.0777344 -0.0000000 -0.0000000 0.0000000 3.0777344 0.0000000 0.0000000 -0.0000000 0.8569755 3 O -2.1694845 -0.3603416 -0.5957794 -0.3603416 -2.5855712 0.3439734 -0.5884215 0.3397253 -1.6849732 4 O -2.1694845 0.3603416 0.5957794 0.3603416 -2.5855712 0.3439734 0.5884215 0.3397253 -1.6849732 5 O -2.7936145 0.0000000 -0.0000000 0.0000000 -1.9614412 -0.6879468 0.0000000 -0.6794506 -1.6849732 6 O -2.1694845 -0.3603416 -0.5957794 -0.3603416 -2.5855712 0.3439734 -0.5884215 0.3397253 -1.6849732 7 O -2.1694845 0.3603416 0.5957794 0.3603416 -2.5855712 0.3439734 0.5884215 0.3397253 -1.6849732 8 O -2.7936145 0.0000000 -0.0000000 0.0000000 -1.9614412 -0.6879468 0.0000000 -0.6794506 -1.6849732 9 Sc 4.0548492 -0.0728126 -0.0000000 0.0728126 4.0548492 0.0000000 0.0000000 -0.0000000 4.1979442 10 Sc 4.0548492 0.0728126 -0.0000000 -0.0728126 4.0548492 0.0000000 0.0000000 -0.0000000 4.1979442 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 360/360 Permutation basis: 7104/7104 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 510 Number of blocks in projector: 262 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 5 --- Eigsh_solver_block: 1 / 5 --- Block_size: 239 Use standard eigh solver. --- Eigsh_solver_block: 2 / 5 --- Block_size: 192 Use standard eigh solver. --- Eigsh_solver_block: 3 / 5 --- Block_size: 77 Use standard eigh solver. --- Eigsh_solver_block: 4 / 5 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 5 / 5 --- Block_size: 1 Use standard eigh solver. Tree of FC basis block matrices: - (510, 500), data: False |-- (1, 1), data: True |-- (1, 1), data: True |-- (77, 74), data: True |-- (192, 190), data: True |-- (239, 234), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.012 Solver_block: 100 / 160 - Time: 0.440 Solver_block: 160 / 160 - Time: 0.300 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.756 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 360/360 Permutation basis: 7104/7104 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 510 Number of blocks in projector: 262 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 5 --- Eigsh_solver_block: 1 / 5 --- Block_size: 239 Use standard eigh solver. --- Eigsh_solver_block: 2 / 5 --- Block_size: 192 Use standard eigh solver. --- Eigsh_solver_block: 3 / 5 --- Block_size: 77 Use standard eigh solver. --- Eigsh_solver_block: 4 / 5 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 5 / 5 --- Block_size: 1 Use standard eigh solver. Tree of FC basis block matrices: - (510, 500), data: False |-- (1, 1), data: True |-- (1, 1), data: True |-- (77, 74), data: True |-- (192, 190), data: True |-- (239, 234), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 22:58:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:58:43]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 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 2.382543759225735 1.375562280745038 5.072121663333328 b -2.382543759225729 1.375562280745038 5.072121663333328 c 0.000000000000002 -2.751124561490080 5.072121663333328 Atomic positions (fractional): 1 B 0.25000000000000 0.25000000000000 0.25000000000000 10.811 2 B 0.75000000000000 0.75000000000000 0.75000000000000 10.811 3 O 0.95959360383444 0.25000000000000 0.54040639616556 15.999 4 O 0.25000000000000 0.54040639616556 0.95959360383444 15.999 5 O 0.45959360383444 0.04040639616556 0.75000000000000 15.999 6 O 0.04040639616556 0.75000000000000 0.45959360383444 15.999 7 O 0.75000000000000 0.45959360383444 0.04040639616556 15.999 8 O 0.54040639616556 0.95959360383444 0.25000000000000 15.999 9 Sc 0.50000000000000 0.50000000000000 0.50000000000000 44.956 10 Sc 0.00000000000000 0.00000000000000 0.00000000000000 44.956 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.530175036902929 0.000000000000000 0.000000000000000 b -4.765087518451464 8.253373684470237 0.000000000000000 c 0.000000000000000 0.000000000000000 15.216364989999999 Atomic positions (fractional): 1 B 0.00000000000000 0.00000000000000 0.25000000000000 10.811 > 1 2 B 0.50000000000000 0.00000000000000 0.25000000000000 10.811 > 1 3 B 0.00000000000000 0.50000000000000 0.25000000000000 10.811 > 1 4 B 0.50000000000000 0.50000000000000 0.25000000000000 10.811 > 1 5 B 0.33333333333333 0.16666666666667 0.08333333333333 10.811 > 5 6 B 0.83333333333333 0.16666666666667 0.08333333333333 10.811 > 5 7 B 0.33333333333333 0.66666666666667 0.08333333333333 10.811 > 5 8 B 0.83333333333333 0.66666666666667 0.08333333333333 10.811 > 5 9 B 0.33333333333333 0.16666666666667 0.58333333333333 10.811 > 1 10 B 0.83333333333333 0.16666666666667 0.58333333333333 10.811 > 1 11 B 0.33333333333333 0.66666666666667 0.58333333333333 10.811 > 1 12 B 0.83333333333333 0.66666666666667 0.58333333333333 10.811 > 1 13 B 0.16666666666667 0.33333333333333 0.41666666666667 10.811 > 5 14 B 0.66666666666667 0.33333333333333 0.41666666666667 10.811 > 5 15 B 0.16666666666667 0.83333333333333 0.41666666666667 10.811 > 5 16 B 0.66666666666667 0.83333333333333 0.41666666666667 10.811 > 5 17 B 0.16666666666667 0.33333333333333 0.91666666666667 10.811 > 1 18 B 0.66666666666667 0.33333333333333 0.91666666666667 10.811 > 1 19 B 0.16666666666667 0.83333333333333 0.91666666666667 10.811 > 1 20 B 0.66666666666667 0.83333333333333 0.91666666666667 10.811 > 1 21 B 0.00000000000000 0.00000000000000 0.75000000000000 10.811 > 5 22 B 0.50000000000000 0.00000000000000 0.75000000000000 10.811 > 5 23 B 0.00000000000000 0.50000000000000 0.75000000000000 10.811 > 5 24 B 0.50000000000000 0.50000000000000 0.75000000000000 10.811 > 5 25 O 0.35479680191722 0.35479680191722 0.25000000000000 15.999 > 25 26 O 0.85479680191722 0.35479680191722 0.25000000000000 15.999 > 25 27 O 0.35479680191722 0.85479680191722 0.25000000000000 15.999 > 25 28 O 0.85479680191722 0.85479680191722 0.25000000000000 15.999 > 25 29 O 0.00000000000000 0.14520319808278 0.25000000000000 15.999 > 29 30 O 0.50000000000000 0.14520319808278 0.25000000000000 15.999 > 29 31 O 0.00000000000000 0.64520319808278 0.25000000000000 15.999 > 29 32 O 0.50000000000000 0.64520319808278 0.25000000000000 15.999 > 29 33 O 0.18813013525055 0.16666666666667 0.08333333333333 15.999 > 33 34 O 0.68813013525055 0.16666666666667 0.08333333333333 15.999 > 33 35 O 0.18813013525055 0.66666666666667 0.08333333333333 15.999 > 33 36 O 0.68813013525055 0.66666666666667 0.08333333333333 15.999 > 33 37 O 0.47853653141611 0.31186986474945 0.08333333333333 15.999 > 37 38 O 0.97853653141611 0.31186986474945 0.08333333333333 15.999 > 37 39 O 0.47853653141611 0.81186986474945 0.08333333333333 15.999 > 37 40 O 0.97853653141611 0.81186986474945 0.08333333333333 15.999 > 37 41 O 0.33333333333333 0.02146346858389 0.08333333333333 15.999 > 41 42 O 0.83333333333333 0.02146346858389 0.08333333333333 15.999 > 41 43 O 0.33333333333333 0.52146346858389 0.08333333333333 15.999 > 41 44 O 0.83333333333333 0.52146346858389 0.08333333333333 15.999 > 41 45 O 0.14520319808278 0.00000000000000 0.25000000000000 15.999 > 45 46 O 0.64520319808278 0.00000000000000 0.25000000000000 15.999 > 45 47 O 0.14520319808278 0.50000000000000 0.25000000000000 15.999 > 45 48 O 0.64520319808278 0.50000000000000 0.25000000000000 15.999 > 45 49 O 0.18813013525055 0.02146346858389 0.58333333333333 15.999 > 25 50 O 0.68813013525055 0.02146346858389 0.58333333333333 15.999 > 25 51 O 0.18813013525055 0.52146346858389 0.58333333333333 15.999 > 25 52 O 0.68813013525055 0.52146346858389 0.58333333333333 15.999 > 25 53 O 0.33333333333333 0.31186986474945 0.58333333333333 15.999 > 29 54 O 0.83333333333333 0.31186986474945 0.58333333333333 15.999 > 29 55 O 0.33333333333333 0.81186986474945 0.58333333333333 15.999 > 29 56 O 0.83333333333333 0.81186986474945 0.58333333333333 15.999 > 29 57 O 0.02146346858389 0.33333333333333 0.41666666666667 15.999 > 33 58 O 0.52146346858389 0.33333333333333 0.41666666666667 15.999 > 33 59 O 0.02146346858389 0.83333333333333 0.41666666666667 15.999 > 33 60 O 0.52146346858389 0.83333333333333 0.41666666666667 15.999 > 33 61 O 0.31186986474945 0.47853653141611 0.41666666666667 15.999 > 37 62 O 0.81186986474945 0.47853653141611 0.41666666666667 15.999 > 37 63 O 0.31186986474945 0.97853653141611 0.41666666666667 15.999 > 37 64 O 0.81186986474945 0.97853653141611 0.41666666666667 15.999 > 37 65 O 0.16666666666667 0.18813013525055 0.41666666666667 15.999 > 41 66 O 0.66666666666667 0.18813013525055 0.41666666666667 15.999 > 41 67 O 0.16666666666667 0.68813013525055 0.41666666666667 15.999 > 41 68 O 0.66666666666667 0.68813013525055 0.41666666666667 15.999 > 41 69 O 0.47853653141611 0.16666666666667 0.58333333333333 15.999 > 45 70 O 0.97853653141611 0.16666666666667 0.58333333333333 15.999 > 45 71 O 0.47853653141611 0.66666666666667 0.58333333333333 15.999 > 45 72 O 0.97853653141611 0.66666666666667 0.58333333333333 15.999 > 45 73 O 0.02146346858389 0.18813013525055 0.91666666666667 15.999 > 25 74 O 0.52146346858389 0.18813013525055 0.91666666666667 15.999 > 25 75 O 0.02146346858389 0.68813013525055 0.91666666666667 15.999 > 25 76 O 0.52146346858389 0.68813013525055 0.91666666666667 15.999 > 25 77 O 0.16666666666667 0.47853653141611 0.91666666666667 15.999 > 29 78 O 0.66666666666667 0.47853653141611 0.91666666666667 15.999 > 29 79 O 0.16666666666667 0.97853653141611 0.91666666666667 15.999 > 29 80 O 0.66666666666667 0.97853653141611 0.91666666666667 15.999 > 29 81 O 0.35479680191722 0.00000000000000 0.75000000000000 15.999 > 33 82 O 0.85479680191722 0.00000000000000 0.75000000000000 15.999 > 33 83 O 0.35479680191722 0.50000000000000 0.75000000000000 15.999 > 33 84 O 0.85479680191722 0.50000000000000 0.75000000000000 15.999 > 33 85 O 0.14520319808278 0.14520319808278 0.75000000000000 15.999 > 37 86 O 0.64520319808278 0.14520319808278 0.75000000000000 15.999 > 37 87 O 0.14520319808278 0.64520319808278 0.75000000000000 15.999 > 37 88 O 0.64520319808278 0.64520319808278 0.75000000000000 15.999 > 37 89 O 0.00000000000000 0.35479680191722 0.75000000000000 15.999 > 41 90 O 0.50000000000000 0.35479680191722 0.75000000000000 15.999 > 41 91 O 0.00000000000000 0.85479680191722 0.75000000000000 15.999 > 41 92 O 0.50000000000000 0.85479680191722 0.75000000000000 15.999 > 41 93 O 0.31186986474945 0.33333333333333 0.91666666666667 15.999 > 45 94 O 0.81186986474945 0.33333333333333 0.91666666666667 15.999 > 45 95 O 0.31186986474945 0.83333333333333 0.91666666666667 15.999 > 45 96 O 0.81186986474945 0.83333333333333 0.91666666666667 15.999 > 45 97 Sc 0.16666666666667 0.33333333333333 0.16666666666667 44.956 > 97 98 Sc 0.66666666666667 0.33333333333333 0.16666666666667 44.956 > 97 99 Sc 0.16666666666667 0.83333333333333 0.16666666666667 44.956 > 97 100 Sc 0.66666666666667 0.83333333333333 0.16666666666667 44.956 > 97 101 Sc 0.00000000000000 0.00000000000000 0.00000000000000 44.956 > 101 102 Sc 0.50000000000000 0.00000000000000 0.00000000000000 44.956 > 101 103 Sc 0.00000000000000 0.50000000000000 0.00000000000000 44.956 > 101 104 Sc 0.50000000000000 0.50000000000000 0.00000000000000 44.956 > 101 105 Sc 0.00000000000000 0.00000000000000 0.50000000000000 44.956 > 97 106 Sc 0.50000000000000 0.00000000000000 0.50000000000000 44.956 > 97 107 Sc 0.00000000000000 0.50000000000000 0.50000000000000 44.956 > 97 108 Sc 0.50000000000000 0.50000000000000 0.50000000000000 44.956 > 97 109 Sc 0.33333333333333 0.16666666666667 0.33333333333333 44.956 > 101 110 Sc 0.83333333333333 0.16666666666667 0.33333333333333 44.956 > 101 111 Sc 0.33333333333333 0.66666666666667 0.33333333333333 44.956 > 101 112 Sc 0.83333333333333 0.66666666666667 0.33333333333333 44.956 > 101 113 Sc 0.33333333333333 0.16666666666667 0.83333333333333 44.956 > 97 114 Sc 0.83333333333333 0.16666666666667 0.83333333333333 44.956 > 97 115 Sc 0.33333333333333 0.66666666666667 0.83333333333333 44.956 > 97 116 Sc 0.83333333333333 0.66666666666667 0.83333333333333 44.956 > 97 117 Sc 0.16666666666667 0.33333333333333 0.66666666666667 44.956 > 101 118 Sc 0.66666666666667 0.33333333333333 0.66666666666667 44.956 > 101 119 Sc 0.16666666666667 0.83333333333333 0.66666666666667 44.956 > 101 120 Sc 0.66666666666667 0.83333333333333 0.66666666666667 44.956 > 101 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.0783191 -0.0000000 0.0000000 0.0000000 4.0783191 0.0000000 0.0000000 0.0000000 3.7006217 -------------------------- Born effective charges -------------------------- 1 B 3.0777344 -0.0000000 -0.0000000 0.0000000 3.0777344 0.0000000 0.0000000 -0.0000000 0.8569755 2 B 3.0777344 -0.0000000 -0.0000000 0.0000000 3.0777344 0.0000000 0.0000000 -0.0000000 0.8569755 3 O -2.1694845 -0.3603416 -0.5957794 -0.3603416 -2.5855712 0.3439734 -0.5884215 0.3397253 -1.6849732 4 O -2.1694845 0.3603416 0.5957794 0.3603416 -2.5855712 0.3439734 0.5884215 0.3397253 -1.6849732 5 O -2.7936145 0.0000000 -0.0000000 0.0000000 -1.9614412 -0.6879468 0.0000000 -0.6794506 -1.6849732 6 O -2.1694845 -0.3603416 -0.5957794 -0.3603416 -2.5855712 0.3439734 -0.5884215 0.3397253 -1.6849732 7 O -2.1694845 0.3603416 0.5957794 0.3603416 -2.5855712 0.3439734 0.5884215 0.3397253 -1.6849732 8 O -2.7936145 0.0000000 -0.0000000 0.0000000 -1.9614412 -0.6879468 0.0000000 -0.6794506 -1.6849732 9 Sc 4.0548492 -0.0728126 -0.0000000 0.0728126 4.0548492 0.0000000 0.0000000 -0.0000000 4.1979442 10 Sc 4.0548492 0.0728126 -0.0000000 -0.0728126 4.0548492 0.0000000 0.0000000 -0.0000000 4.1979442 ---------------------------------------------------------------------------- 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[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000010 (xxx) 0.00000010 (xxx) 0.00000010 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000002 (yx) -0.00000002 (yx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:58:51]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:58:51]------------------------- 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 2.382543759225735 1.375562280745038 5.072121663333328 b -2.382543759225729 1.375562280745038 5.072121663333328 c 0.000000000000002 -2.751124561490080 5.072121663333328 Atomic positions (fractional): 1 B 0.25000000000000 0.25000000000000 0.25000000000000 10.811 2 B 0.75000000000000 0.75000000000000 0.75000000000000 10.811 3 O 0.95959360383444 0.25000000000000 0.54040639616556 15.999 4 O 0.25000000000000 0.54040639616556 0.95959360383444 15.999 5 O 0.45959360383444 0.04040639616556 0.75000000000000 15.999 6 O 0.04040639616556 0.75000000000000 0.45959360383444 15.999 7 O 0.75000000000000 0.45959360383444 0.04040639616556 15.999 8 O 0.54040639616556 0.95959360383444 0.25000000000000 15.999 9 Sc 0.50000000000000 0.50000000000000 0.50000000000000 44.956 10 Sc 0.00000000000000 0.00000000000000 0.00000000000000 44.956 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.530175036902929 0.000000000000000 0.000000000000000 b -4.765087518451464 8.253373684470237 0.000000000000000 c 0.000000000000000 0.000000000000000 15.216364989999999 Atomic positions (fractional): 1 B 0.00000000000000 0.00000000000000 0.25000000000000 10.811 > 1 2 B 0.50000000000000 0.00000000000000 0.25000000000000 10.811 > 1 3 B 0.00000000000000 0.50000000000000 0.25000000000000 10.811 > 1 4 B 0.50000000000000 0.50000000000000 0.25000000000000 10.811 > 1 5 B 0.33333333333333 0.16666666666667 0.08333333333333 10.811 > 5 6 B 0.83333333333333 0.16666666666667 0.08333333333333 10.811 > 5 7 B 0.33333333333333 0.66666666666667 0.08333333333333 10.811 > 5 8 B 0.83333333333333 0.66666666666667 0.08333333333333 10.811 > 5 9 B 0.33333333333333 0.16666666666667 0.58333333333333 10.811 > 1 10 B 0.83333333333333 0.16666666666667 0.58333333333333 10.811 > 1 11 B 0.33333333333333 0.66666666666667 0.58333333333333 10.811 > 1 12 B 0.83333333333333 0.66666666666667 0.58333333333333 10.811 > 1 13 B 0.16666666666667 0.33333333333333 0.41666666666667 10.811 > 5 14 B 0.66666666666667 0.33333333333333 0.41666666666667 10.811 > 5 15 B 0.16666666666667 0.83333333333333 0.41666666666667 10.811 > 5 16 B 0.66666666666667 0.83333333333333 0.41666666666667 10.811 > 5 17 B 0.16666666666667 0.33333333333333 0.91666666666667 10.811 > 1 18 B 0.66666666666667 0.33333333333333 0.91666666666667 10.811 > 1 19 B 0.16666666666667 0.83333333333333 0.91666666666667 10.811 > 1 20 B 0.66666666666667 0.83333333333333 0.91666666666667 10.811 > 1 21 B 0.00000000000000 0.00000000000000 0.75000000000000 10.811 > 5 22 B 0.50000000000000 0.00000000000000 0.75000000000000 10.811 > 5 23 B 0.00000000000000 0.50000000000000 0.75000000000000 10.811 > 5 24 B 0.50000000000000 0.50000000000000 0.75000000000000 10.811 > 5 25 O 0.35479680191722 0.35479680191722 0.25000000000000 15.999 > 25 26 O 0.85479680191722 0.35479680191722 0.25000000000000 15.999 > 25 27 O 0.35479680191722 0.85479680191722 0.25000000000000 15.999 > 25 28 O 0.85479680191722 0.85479680191722 0.25000000000000 15.999 > 25 29 O 0.00000000000000 0.14520319808278 0.25000000000000 15.999 > 29 30 O 0.50000000000000 0.14520319808278 0.25000000000000 15.999 > 29 31 O 0.00000000000000 0.64520319808278 0.25000000000000 15.999 > 29 32 O 0.50000000000000 0.64520319808278 0.25000000000000 15.999 > 29 33 O 0.18813013525055 0.16666666666667 0.08333333333333 15.999 > 33 34 O 0.68813013525055 0.16666666666667 0.08333333333333 15.999 > 33 35 O 0.18813013525055 0.66666666666667 0.08333333333333 15.999 > 33 36 O 0.68813013525055 0.66666666666667 0.08333333333333 15.999 > 33 37 O 0.47853653141611 0.31186986474945 0.08333333333333 15.999 > 37 38 O 0.97853653141611 0.31186986474945 0.08333333333333 15.999 > 37 39 O 0.47853653141611 0.81186986474945 0.08333333333333 15.999 > 37 40 O 0.97853653141611 0.81186986474945 0.08333333333333 15.999 > 37 41 O 0.33333333333333 0.02146346858389 0.08333333333333 15.999 > 41 42 O 0.83333333333333 0.02146346858389 0.08333333333333 15.999 > 41 43 O 0.33333333333333 0.52146346858389 0.08333333333333 15.999 > 41 44 O 0.83333333333333 0.52146346858389 0.08333333333333 15.999 > 41 45 O 0.14520319808278 0.00000000000000 0.25000000000000 15.999 > 45 46 O 0.64520319808278 0.00000000000000 0.25000000000000 15.999 > 45 47 O 0.14520319808278 0.50000000000000 0.25000000000000 15.999 > 45 48 O 0.64520319808278 0.50000000000000 0.25000000000000 15.999 > 45 49 O 0.18813013525055 0.02146346858389 0.58333333333333 15.999 > 25 50 O 0.68813013525055 0.02146346858389 0.58333333333333 15.999 > 25 51 O 0.18813013525055 0.52146346858389 0.58333333333333 15.999 > 25 52 O 0.68813013525055 0.52146346858389 0.58333333333333 15.999 > 25 53 O 0.33333333333333 0.31186986474945 0.58333333333333 15.999 > 29 54 O 0.83333333333333 0.31186986474945 0.58333333333333 15.999 > 29 55 O 0.33333333333333 0.81186986474945 0.58333333333333 15.999 > 29 56 O 0.83333333333333 0.81186986474945 0.58333333333333 15.999 > 29 57 O 0.02146346858389 0.33333333333333 0.41666666666667 15.999 > 33 58 O 0.52146346858389 0.33333333333333 0.41666666666667 15.999 > 33 59 O 0.02146346858389 0.83333333333333 0.41666666666667 15.999 > 33 60 O 0.52146346858389 0.83333333333333 0.41666666666667 15.999 > 33 61 O 0.31186986474945 0.47853653141611 0.41666666666667 15.999 > 37 62 O 0.81186986474945 0.47853653141611 0.41666666666667 15.999 > 37 63 O 0.31186986474945 0.97853653141611 0.41666666666667 15.999 > 37 64 O 0.81186986474945 0.97853653141611 0.41666666666667 15.999 > 37 65 O 0.16666666666667 0.18813013525055 0.41666666666667 15.999 > 41 66 O 0.66666666666667 0.18813013525055 0.41666666666667 15.999 > 41 67 O 0.16666666666667 0.68813013525055 0.41666666666667 15.999 > 41 68 O 0.66666666666667 0.68813013525055 0.41666666666667 15.999 > 41 69 O 0.47853653141611 0.16666666666667 0.58333333333333 15.999 > 45 70 O 0.97853653141611 0.16666666666667 0.58333333333333 15.999 > 45 71 O 0.47853653141611 0.66666666666667 0.58333333333333 15.999 > 45 72 O 0.97853653141611 0.66666666666667 0.58333333333333 15.999 > 45 73 O 0.02146346858389 0.18813013525055 0.91666666666667 15.999 > 25 74 O 0.52146346858389 0.18813013525055 0.91666666666667 15.999 > 25 75 O 0.02146346858389 0.68813013525055 0.91666666666667 15.999 > 25 76 O 0.52146346858389 0.68813013525055 0.91666666666667 15.999 > 25 77 O 0.16666666666667 0.47853653141611 0.91666666666667 15.999 > 29 78 O 0.66666666666667 0.47853653141611 0.91666666666667 15.999 > 29 79 O 0.16666666666667 0.97853653141611 0.91666666666667 15.999 > 29 80 O 0.66666666666667 0.97853653141611 0.91666666666667 15.999 > 29 81 O 0.35479680191722 0.00000000000000 0.75000000000000 15.999 > 33 82 O 0.85479680191722 0.00000000000000 0.75000000000000 15.999 > 33 83 O 0.35479680191722 0.50000000000000 0.75000000000000 15.999 > 33 84 O 0.85479680191722 0.50000000000000 0.75000000000000 15.999 > 33 85 O 0.14520319808278 0.14520319808278 0.75000000000000 15.999 > 37 86 O 0.64520319808278 0.14520319808278 0.75000000000000 15.999 > 37 87 O 0.14520319808278 0.64520319808278 0.75000000000000 15.999 > 37 88 O 0.64520319808278 0.64520319808278 0.75000000000000 15.999 > 37 89 O 0.00000000000000 0.35479680191722 0.75000000000000 15.999 > 41 90 O 0.50000000000000 0.35479680191722 0.75000000000000 15.999 > 41 91 O 0.00000000000000 0.85479680191722 0.75000000000000 15.999 > 41 92 O 0.50000000000000 0.85479680191722 0.75000000000000 15.999 > 41 93 O 0.31186986474945 0.33333333333333 0.91666666666667 15.999 > 45 94 O 0.81186986474945 0.33333333333333 0.91666666666667 15.999 > 45 95 O 0.31186986474945 0.83333333333333 0.91666666666667 15.999 > 45 96 O 0.81186986474945 0.83333333333333 0.91666666666667 15.999 > 45 97 Sc 0.16666666666667 0.33333333333333 0.16666666666667 44.956 > 97 98 Sc 0.66666666666667 0.33333333333333 0.16666666666667 44.956 > 97 99 Sc 0.16666666666667 0.83333333333333 0.16666666666667 44.956 > 97 100 Sc 0.66666666666667 0.83333333333333 0.16666666666667 44.956 > 97 101 Sc 0.00000000000000 0.00000000000000 0.00000000000000 44.956 > 101 102 Sc 0.50000000000000 0.00000000000000 0.00000000000000 44.956 > 101 103 Sc 0.00000000000000 0.50000000000000 0.00000000000000 44.956 > 101 104 Sc 0.50000000000000 0.50000000000000 0.00000000000000 44.956 > 101 105 Sc 0.00000000000000 0.00000000000000 0.50000000000000 44.956 > 97 106 Sc 0.50000000000000 0.00000000000000 0.50000000000000 44.956 > 97 107 Sc 0.00000000000000 0.50000000000000 0.50000000000000 44.956 > 97 108 Sc 0.50000000000000 0.50000000000000 0.50000000000000 44.956 > 97 109 Sc 0.33333333333333 0.16666666666667 0.33333333333333 44.956 > 101 110 Sc 0.83333333333333 0.16666666666667 0.33333333333333 44.956 > 101 111 Sc 0.33333333333333 0.66666666666667 0.33333333333333 44.956 > 101 112 Sc 0.83333333333333 0.66666666666667 0.33333333333333 44.956 > 101 113 Sc 0.33333333333333 0.16666666666667 0.83333333333333 44.956 > 97 114 Sc 0.83333333333333 0.16666666666667 0.83333333333333 44.956 > 97 115 Sc 0.33333333333333 0.66666666666667 0.83333333333333 44.956 > 97 116 Sc 0.83333333333333 0.66666666666667 0.83333333333333 44.956 > 97 117 Sc 0.16666666666667 0.33333333333333 0.66666666666667 44.956 > 101 118 Sc 0.66666666666667 0.33333333333333 0.66666666666667 44.956 > 101 119 Sc 0.16666666666667 0.83333333333333 0.66666666666667 44.956 > 101 120 Sc 0.66666666666667 0.83333333333333 0.66666666666667 44.956 > 101 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.0783191 -0.0000000 0.0000000 0.0000000 4.0783191 0.0000000 0.0000000 0.0000000 3.7006217 -------------------------- Born effective charges -------------------------- 1 B 3.0777344 -0.0000000 -0.0000000 0.0000000 3.0777344 0.0000000 0.0000000 -0.0000000 0.8569755 2 B 3.0777344 -0.0000000 -0.0000000 0.0000000 3.0777344 0.0000000 0.0000000 -0.0000000 0.8569755 3 O -2.1694845 -0.3603416 -0.5957794 -0.3603416 -2.5855712 0.3439734 -0.5884215 0.3397253 -1.6849732 4 O -2.1694845 0.3603416 0.5957794 0.3603416 -2.5855712 0.3439734 0.5884215 0.3397253 -1.6849732 5 O -2.7936145 0.0000000 -0.0000000 0.0000000 -1.9614412 -0.6879468 0.0000000 -0.6794506 -1.6849732 6 O -2.1694845 -0.3603416 -0.5957794 -0.3603416 -2.5855712 0.3439734 -0.5884215 0.3397253 -1.6849732 7 O -2.1694845 0.3603416 0.5957794 0.3603416 -2.5855712 0.3439734 0.5884215 0.3397253 -1.6849732 8 O -2.7936145 0.0000000 -0.0000000 0.0000000 -1.9614412 -0.6879468 0.0000000 -0.6794506 -1.6849732 9 Sc 4.0548492 -0.0728126 -0.0000000 0.0728126 4.0548492 0.0000000 0.0000000 -0.0000000 4.1979442 10 Sc 4.0548492 0.0728126 -0.0000000 -0.0728126 4.0548492 0.0000000 0.0000000 -0.0000000 4.1979442 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000010 (xxx) 0.00000010 (xxx) 0.00000010 (xxx) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 13 13 13 ] 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: 0.90, Number of G-points: 309, Lambda: 0.19 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/231) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 231 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 5.223 ( 0.000 0.000 0.000) 0.000 5.223 ( 0.000 0.000 0.000) 0.000 6.557 ( 0.000 0.000 0.000) 0.000 7.195 ( 0.000 0.000 0.000) 0.000 7.195 ( 0.000 0.000 0.000) 0.000 8.039 ( 0.000 0.000 0.000) 0.000 8.039 ( 0.000 0.000 0.000) 0.000 9.035 ( 0.000 0.000 0.000) 0.000 9.991 ( 0.000 0.000 0.000) 0.000 9.991 ( 0.000 0.000 0.000) 0.000 10.207 ( 0.000 0.000 0.000) 0.000 11.125 ( 0.000 0.000 0.000) 0.000 11.568 ( 0.000 0.000 0.000) 0.000 11.568 ( 0.000 0.000 0.000) 0.000 14.166 ( 0.000 0.000 0.000) 0.000 18.135 ( 0.000 0.000 0.000) 0.000 18.135 ( 0.000 0.000 0.000) 0.000 18.314 ( 0.000 0.000 0.000) 0.000 18.314 ( 0.000 0.000 0.000) 0.000 19.999 ( 0.000 0.000 0.000) 0.000 21.216 ( 0.000 0.000 0.000) 0.000 27.351 ( 0.000 0.000 0.000) 0.000 27.388 ( 0.000 0.000 0.000) 0.000 35.874 ( 0.000 0.000 0.000) 0.000 35.874 ( 0.000 0.000 0.000) 0.000 36.562 ( 0.000 0.000 0.000) 0.000 36.562 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/231) ======================= q-point: ( 0.08 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.847 ( 36.834 21.266 9.041) 43.482 0.979 ( 44.971 25.964 0.267) 51.929 1.885 ( 80.813 46.657 22.220) 95.924 5.174 ( -3.342 -1.929 -3.186) 5.004 5.720 ( 10.088 5.824 -15.688) 19.540 6.643 ( -8.390 -4.844 34.790) 36.113 7.180 ( -2.262 -1.306 5.236) 5.851 7.185 ( 0.722 0.417 -9.674) 9.710 8.099 ( 3.284 1.896 8.951) 9.721 8.138 ( 6.980 4.030 -5.496) 9.755 9.026 ( -0.437 -0.252 -1.409) 1.497 10.016 ( 1.088 0.628 5.163) 5.313 10.259 ( 4.724 2.727 2.930) 6.191 10.890 ( -18.595 -10.736 -2.413) 21.607 11.533 ( -2.891 -1.669 -1.797) 3.791 11.606 ( 2.072 1.196 -2.183) 3.239 14.051 ( -10.392 -6.000 0.052) 11.999 14.523 ( -16.886 -9.749 -17.966) 26.513 18.145 ( 0.118 0.068 1.234) 1.242 18.312 ( -0.909 -0.525 -1.801) 2.084 18.345 ( 2.977 1.719 0.813) 3.532 18.604 ( 6.897 3.982 -29.680) 30.730 20.234 ( -16.422 -9.481 75.922) 78.254 21.195 ( -2.332 -1.346 1.516) 3.090 27.348 ( -0.238 -0.137 -0.019) 0.275 27.412 ( 2.193 1.266 -0.418) 2.566 35.954 ( 6.587 3.803 2.657) 8.057 36.562 ( 0.428 0.247 -1.941) 2.002 36.591 ( 2.460 1.420 1.472) 3.199 40.426 ( 19.430 11.218 -98.333) 100.860 ======================= Grid point 2 (3/231) ======================= q-point: ( 0.15 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.670 ( 35.211 20.329 9.109) 41.666 1.929 ( 43.134 24.904 -0.214) 49.807 3.667 ( 74.184 42.830 18.606) 87.658 5.080 ( -2.688 -1.552 -4.570) 5.524 5.879 ( 8.089 4.670 -4.497) 10.367 6.652 ( -4.190 -2.419 22.691) 23.201 7.089 ( -5.192 -2.998 -12.813) 14.146 7.180 ( 0.702 0.405 6.470) 6.520 8.252 ( 6.135 3.542 8.713) 11.229 8.316 ( 12.137 7.007 -6.360) 15.390 9.004 ( -0.669 -0.386 -2.431) 2.550 10.060 ( -4.404 -2.542 8.880) 10.233 10.408 ( 5.340 3.083 10.087) 11.822 10.417 ( -19.520 -11.270 0.915) 22.558 11.422 ( -6.088 -3.515 -4.450) 8.320 11.601 ( -1.131 -0.653 -3.451) 3.689 13.743 ( -17.397 -10.044 -0.583) 20.097 13.913 ( -29.250 -16.887 -18.920) 38.713 18.129 ( -2.867 -1.655 3.010) 4.474 18.210 ( -6.675 -3.854 -5.660) 9.563 18.453 ( 6.685 3.860 -0.229) 7.723 18.642 ( 6.433 3.714 -13.253) 15.193 20.274 ( -6.071 -3.505 35.409) 36.096 21.128 ( -4.852 -2.801 2.297) 6.055 27.342 ( -0.242 -0.140 -0.316) 0.422 27.470 ( 3.218 1.858 -0.964) 3.838 36.158 ( 9.861 5.693 4.046) 12.084 36.564 ( 1.124 0.649 -3.399) 3.638 36.698 ( 6.599 3.810 4.679) 8.942 40.304 ( 4.241 2.448 -50.889) 51.124 ======================= Grid point 3 (4/231) ======================= q-point: ( 0.23 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.451 ( 32.910 19.001 9.905) 39.271 2.825 ( 40.167 23.190 -0.876) 46.389 5.057 ( 3.264 1.884 -2.464) 4.503 5.211 ( 60.141 34.722 10.406) 70.220 5.990 ( 3.565 2.058 2.231) 4.682 6.668 ( -4.569 -2.638 18.200) 18.949 6.813 ( -14.364 -8.293 -13.147) 21.165 7.338 ( 11.960 6.905 5.270) 14.782 8.416 ( 5.619 3.244 2.683) 7.021 8.587 ( 14.839 8.567 -3.491) 17.487 8.962 ( -1.813 -1.047 -6.864) 7.176 9.632 ( -31.568 -18.226 12.466) 38.524 10.388 ( 6.169 3.562 11.142) 13.224 10.556 ( 1.732 1.000 14.363) 14.501 11.212 ( -10.223 -5.902 -9.940) 15.431 11.541 ( -2.454 -1.417 -2.723) 3.930 13.170 ( -28.075 -16.209 -20.000) 38.091 13.332 ( -19.506 -11.262 -1.206) 22.555 17.998 ( -9.364 -5.406 -6.965) 12.862 18.048 ( -6.232 -3.598 3.589) 8.042 18.612 ( 8.103 4.678 -1.988) 9.566 18.720 ( 5.193 2.998 -6.890) 9.134 20.325 ( -2.481 -1.432 20.424) 20.624 21.009 ( -7.206 -4.161 2.167) 8.599 27.339 ( 0.315 0.182 -0.791) 0.871 27.530 ( 2.719 1.570 -1.473) 3.468 36.374 ( 7.701 4.446 3.674) 9.621 36.578 ( 2.023 1.168 -4.181) 4.790 36.948 ( 13.433 7.755 10.126) 18.523 40.091 ( -3.622 -2.091 -36.480) 36.719 ======================= Grid point 4 (5/231) ======================= q-point: ( 0.31 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.185 ( 30.102 17.380 11.954) 36.757 3.640 ( 36.074 20.827 -2.373) 41.722 5.234 ( 13.480 7.783 3.901) 16.047 5.881 ( 0.446 0.258 -1.753) 1.827 6.360 ( -20.152 -11.635 -14.939) 27.652 6.419 ( 24.176 13.958 1.593) 27.961 6.734 ( 12.552 7.247 23.505) 27.615 7.711 ( 19.418 11.211 0.643) 22.431 8.459 ( -6.948 -4.012 1.216) 8.115 8.758 ( -11.792 -6.808 -17.760) 22.379 8.848 ( 7.141 4.123 -2.120) 8.514 9.149 ( -17.233 -9.950 25.916) 32.675 10.558 ( -8.346 -4.819 10.412) 14.187 10.598 ( 6.645 3.837 12.373) 14.559 10.962 ( -3.565 -2.058 -11.306) 12.032 11.479 ( -2.642 -1.525 -0.554) 3.100 12.602 ( -15.079 -8.706 -15.936) 23.603 12.926 ( -17.116 -9.882 -0.495) 19.770 17.764 ( -8.582 -4.955 -6.997) 12.131 17.900 ( -8.891 -5.133 3.085) 10.720 18.767 ( 7.473 4.315 -4.105) 9.556 18.791 ( 3.515 2.030 -2.156) 4.596 20.371 ( -0.839 -0.485 11.772) 11.812 20.847 ( -8.465 -4.887 1.592) 9.903 27.352 ( 1.470 0.849 -1.076) 2.010 27.565 ( 1.118 0.645 -1.628) 2.078 36.524 ( 4.654 2.687 3.883) 6.630 36.608 ( 2.718 1.569 -4.433) 5.431 37.360 ( 18.155 10.482 14.999) 25.777 39.779 ( -9.562 -5.521 -30.462) 32.401 ======================= Grid point 5 (6/231) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.864 ( 26.446 15.269 14.946) 33.999 4.334 ( 29.610 17.096 -5.833) 34.685 5.613 ( 6.067 3.503 3.562) 7.859 5.768 ( -10.928 -6.309 6.939) 14.401 5.923 ( 0.069 0.040 -8.139) 8.139 6.588 ( 8.319 4.803 -9.146) 13.263 7.399 ( 23.959 13.833 18.918) 33.515 7.967 ( -33.056 -19.085 9.655) 39.372 8.059 ( 8.650 4.994 -6.808) 12.088 8.568 ( -2.602 -1.502 -14.843) 15.144 8.709 ( -13.311 -7.685 -9.900) 18.282 9.021 ( -8.327 -4.807 16.106) 18.757 10.545 ( 8.657 4.998 3.775) 10.686 10.777 ( 4.458 2.574 10.840) 12.000 10.949 ( 3.001 1.732 -3.632) 5.019 11.397 ( -5.821 -3.360 0.918) 6.783 12.343 ( -3.873 -2.236 -10.402) 11.323 12.611 ( -12.309 -7.107 1.764) 14.322 17.579 ( -5.003 -2.889 -6.246) 8.508 17.713 ( -9.269 -5.351 2.602) 11.015 18.852 ( 2.213 1.278 2.333) 3.460 18.880 ( 5.243 3.027 -6.172) 8.646 20.409 ( 0.398 0.230 5.874) 5.892 20.675 ( -7.729 -4.463 1.067) 8.989 27.392 ( 2.681 1.548 -0.904) 3.225 27.560 ( -0.867 -0.500 -1.279) 1.624 36.620 ( 2.332 1.346 4.439) 5.192 36.646 ( 2.719 1.570 -4.461) 5.455 37.857 ( 19.623 11.329 18.924) 29.522 39.375 ( -14.204 -8.201 -27.387) 31.923 ======================= Grid point 6 (7/231) ======================= q-point: ( 0.46 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.461 ( 20.848 12.036 16.619) 29.252 4.766 ( 7.931 4.579 -10.867) 14.212 5.337 ( -4.108 -2.372 -15.840) 16.535 5.504 ( -16.826 -9.714 11.292) 22.472 6.552 ( 37.035 21.382 15.948) 45.641 6.834 ( 19.794 11.428 -11.925) 25.780 7.327 ( -31.192 -18.009 17.689) 40.127 7.452 ( -30.502 -17.610 -20.094) 40.550 8.064 ( 10.657 6.153 15.603) 19.872 8.377 ( -8.214 -4.742 -16.442) 18.981 8.690 ( 12.014 6.936 -9.541) 16.836 8.893 ( -10.492 -6.058 11.420) 16.649 10.838 ( 10.391 5.999 5.370) 13.145 10.893 ( 1.823 1.053 6.006) 6.364 11.013 ( 6.998 4.041 -8.250) 11.548 11.221 ( -11.222 -6.479 2.625) 13.221 12.300 ( 3.357 1.938 -6.103) 7.230 12.406 ( -8.286 -4.784 3.722) 10.266 17.501 ( 0.536 0.310 -4.740) 4.781 17.555 ( -6.152 -3.552 3.174) 7.781 18.906 ( 0.606 0.350 5.806) 5.848 18.925 ( 2.090 1.207 -7.122) 7.520 20.455 ( 2.306 1.332 1.898) 3.270 20.538 ( -5.161 -2.979 0.248) 5.964 27.454 ( 3.164 1.826 -0.286) 3.664 27.518 ( -2.495 -1.441 -0.546) 2.933 36.669 ( 0.098 0.057 4.598) 4.599 36.673 ( 1.743 1.006 -4.515) 4.943 38.382 ( 19.256 11.117 22.287) 31.481 38.899 ( -17.456 -10.078 -25.015) 32.125 ======================= Grid point 14 (8/231) ======================= q-point: ( 0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( 0.000 40.869 28.764) 49.977 1.206 ( 0.000 48.797 27.471) 55.998 1.837 ( 0.000 85.710 19.437) 87.886 5.256 ( 0.000 -0.629 7.533) 7.559 5.550 ( -0.000 13.177 -23.753) 27.163 6.823 ( 0.000 -22.089 34.734) 41.162 7.098 ( -0.000 -4.753 0.196) 4.757 7.290 ( 0.000 7.798 3.100) 8.391 7.965 ( -0.000 -3.918 -7.724) 8.661 8.240 ( 0.000 10.823 7.083) 12.935 9.007 ( -0.000 -1.457 -3.869) 4.134 9.957 ( -0.000 -1.587 -2.354) 2.839 10.202 ( -0.000 3.499 -1.018) 3.644 10.873 ( -0.000 -20.690 -4.737) 21.226 11.527 ( -0.000 -2.671 -2.645) 3.759 11.612 ( -0.000 2.777 -1.474) 3.144 14.050 ( -0.000 -12.390 -0.143) 12.391 14.633 ( -0.000 -3.333 -5.555) 6.478 18.129 ( -0.000 -1.381 -0.919) 1.659 18.315 ( -0.000 2.661 -4.703) 5.404 18.329 ( -0.000 3.428 -1.198) 3.631 18.437 ( -0.000 9.333 -23.575) 25.355 20.678 ( 0.000 -52.632 95.807) 109.312 21.207 ( 0.000 -2.720 3.094) 4.120 27.349 ( 0.000 -0.166 0.113) 0.201 27.410 ( -0.000 2.521 -0.692) 2.614 35.923 ( -0.000 5.962 -1.436) 6.132 36.562 ( -0.000 1.285 -2.349) 2.677 36.582 ( 0.000 1.701 0.718) 1.846 39.820 ( -0.000 75.008 -140.435) 159.211 ======================= Grid point 15 (9/231) ======================= q-point: ( 0.15 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.557 ( 6.338 33.558 29.063) 44.844 1.916 ( 15.268 50.409 10.332) 53.674 3.228 ( 52.677 65.716 20.750) 86.741 5.139 ( -9.976 -0.877 0.695) 10.039 5.736 ( 14.079 7.335 -9.191) 18.344 6.752 ( -1.009 -12.468 15.025) 19.550 7.040 ( -5.879 -2.692 5.229) 8.316 7.359 ( -3.865 10.663 3.523) 11.877 7.969 ( 10.988 -7.907 -6.490) 15.013 8.414 ( 3.231 14.675 3.828) 15.507 8.965 ( 0.667 -3.157 -6.081) 6.884 10.001 ( 6.572 -5.200 5.590) 10.074 10.337 ( 10.418 0.977 -0.531) 10.477 10.520 ( -12.875 -22.087 -1.283) 25.598 11.481 ( -1.888 -2.011 -3.200) 4.225 11.591 ( -2.324 0.272 -3.307) 4.052 13.830 ( -9.172 -16.971 -1.321) 19.336 14.238 ( -33.389 -11.099 -2.172) 35.252 18.115 ( 1.209 -5.127 -0.667) 5.310 18.268 ( -6.646 -1.466 -0.462) 6.821 18.392 ( 5.828 6.021 -8.912) 12.233 18.493 ( 7.638 6.190 -11.601) 15.207 20.557 ( -10.916 -21.045 50.824) 56.082 21.172 ( -2.645 -4.235 3.935) 6.357 27.346 ( -0.377 -0.023 0.037) 0.380 27.448 ( 1.778 3.267 -1.181) 3.902 36.073 ( 9.354 6.751 0.889) 11.570 36.556 ( -0.353 2.131 -3.564) 4.167 36.650 ( 5.009 2.880 2.474) 6.286 39.934 ( 11.926 28.622 -77.130) 83.129 ======================= Grid point 16 (10/231) ======================= q-point: ( 0.23 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.192 ( 22.065 24.155 20.066) 38.379 2.694 ( 20.976 43.113 6.614) 48.399 4.702 ( 46.590 40.300 10.693) 62.523 5.047 ( 4.630 6.121 2.340) 8.024 5.958 ( 8.428 6.963 -2.797) 11.284 6.716 ( 2.282 -11.162 1.885) 11.548 6.892 ( -11.781 -4.010 9.097) 15.415 7.417 ( -4.004 14.100 2.602) 14.887 8.106 ( 17.591 -9.414 1.095) 19.981 8.629 ( 4.251 16.180 -3.927) 17.184 8.906 ( 0.631 -3.955 -9.065) 9.910 9.931 ( -18.931 -18.710 9.242) 28.175 10.208 ( 10.432 -12.742 10.136) 19.337 10.567 ( 9.688 3.092 1.850) 10.336 11.375 ( -10.507 2.604 -3.171) 11.279 11.531 ( -0.861 -2.231 -3.959) 4.625 13.428 ( -26.154 -19.752 -6.213) 33.358 13.494 ( -27.958 -15.265 -2.547) 31.955 18.016 ( -4.572 -8.739 -5.197) 11.149 18.137 ( -6.769 -2.431 3.410) 7.960 18.512 ( 7.630 4.868 -8.299) 12.279 18.631 ( 6.817 6.840 -6.366) 11.567 20.483 ( -6.302 -8.858 28.490) 30.494 21.080 ( -5.395 -5.700 3.675) 8.666 27.340 ( -0.406 0.387 -0.305) 0.638 27.506 ( 2.138 3.249 -1.723) 4.254 36.301 ( 9.266 5.588 2.505) 11.107 36.561 ( 0.433 3.279 -4.458) 5.550 36.846 ( 12.222 5.755 6.856) 15.149 39.903 ( 2.058 9.651 -48.794) 49.782 ======================= Grid point 17 (11/231) ======================= q-point: ( 0.31 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.891 ( 28.687 18.173 14.656) 36.986 3.445 ( 22.796 34.871 5.409) 42.011 5.000 ( 11.343 -5.982 2.267) 13.023 5.848 ( 21.137 23.569 -8.285) 32.725 6.188 ( 12.745 7.634 6.332) 16.150 6.503 ( -9.166 -4.600 -7.387) 12.639 6.816 ( -1.713 0.476 17.331) 17.422 7.574 ( 9.010 10.488 -0.375) 13.832 8.333 ( 13.470 -3.592 5.158) 14.864 8.691 ( -2.477 -7.150 -12.774) 14.847 8.863 ( -0.612 8.372 -10.981) 13.822 9.505 ( -18.450 -13.735 23.534) 32.907 10.380 ( 11.934 -9.070 11.928) 19.156 10.725 ( 6.698 -0.111 2.346) 7.098 11.138 ( -21.179 6.533 -3.887) 22.502 11.496 ( -0.456 -0.707 -1.445) 1.672 12.690 ( -25.089 -18.837 -8.810) 32.586 13.060 ( -14.700 -14.991 -2.317) 21.123 17.798 ( -7.428 -8.275 -6.075) 12.671 18.011 ( -8.066 -3.844 3.350) 9.542 18.636 ( 7.956 2.696 -6.718) 10.757 18.764 ( 4.753 6.813 -3.985) 9.213 20.460 ( -3.475 -4.360 16.616) 17.527 20.933 ( -7.414 -6.563 2.691) 10.261 27.343 ( 0.348 1.176 -0.617) 1.373 27.552 ( 1.211 2.467 -1.988) 3.392 36.478 ( 6.142 2.932 2.733) 7.334 36.588 ( 1.193 4.408 -4.075) 6.120 37.220 ( 18.948 8.941 11.698) 23.996 39.703 ( -5.936 1.073 -36.377) 36.874 ======================= Grid point 18 (12/231) ======================= q-point: ( 0.38 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.592 ( 30.349 14.778 12.487) 35.992 4.115 ( 21.203 26.584 3.607) 34.195 5.219 ( 21.279 -13.156 8.475) 26.414 5.891 ( -18.686 -16.309 -13.143) 28.069 6.100 ( 4.187 17.576 -8.754) 20.077 6.548 ( -3.396 5.864 -2.873) 7.361 7.238 ( 23.487 13.163 20.830) 34.041 7.843 ( 15.849 1.510 -7.096) 17.430 8.313 ( -19.042 -7.024 1.711) 20.368 8.496 ( 0.012 -4.028 -5.807) 7.067 8.743 ( -8.643 -6.067 -9.806) 14.411 9.356 ( -13.883 1.461 19.519) 23.997 10.501 ( 5.277 0.031 6.753) 8.570 10.804 ( 2.544 -1.663 3.238) 4.441 10.917 ( -6.547 4.106 1.171) 7.817 11.461 ( -3.468 -1.303 0.570) 3.748 12.270 ( -4.107 -13.232 -7.726) 15.864 12.722 ( -11.123 -10.663 -0.455) 15.415 17.593 ( -5.494 -5.794 -5.503) 9.697 17.837 ( -10.016 -4.323 2.088) 11.107 18.750 ( 7.254 1.373 -3.973) 8.384 18.864 ( 2.830 5.187 -3.223) 6.731 20.452 ( -1.823 -2.173 9.100) 9.531 20.759 ( -7.741 -6.228 1.709) 10.081 27.371 ( 1.625 2.146 -0.592) 2.756 27.566 ( -0.405 1.249 -1.740) 2.180 36.586 ( 3.704 1.936 -0.173) 4.183 36.640 ( 1.533 4.057 -0.077) 4.338 37.713 ( 21.802 10.247 15.551) 28.673 39.375 ( -11.887 -4.079 -30.171) 32.683 ======================= Grid point 19 (13/231) ======================= q-point: ( 0.46 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.258 ( 28.089 12.422 12.154) 33.031 4.629 ( 14.267 16.804 0.093) 22.043 5.315 ( -10.697 -17.917 -5.753) 21.646 5.418 ( 5.349 -23.665 -0.162) 24.263 6.459 ( 18.338 25.678 -0.959) 31.568 6.588 ( 6.636 12.052 -10.928) 17.570 7.550 ( -4.165 -14.564 8.297) 17.271 7.751 ( -22.959 -9.699 -4.364) 25.303 8.136 ( -2.814 9.183 9.938) 13.821 8.293 ( -0.301 -9.405 -9.938) 13.686 8.626 ( -0.442 11.028 -10.485) 15.223 9.165 ( -18.322 -1.809 16.451) 24.690 10.736 ( 12.020 8.712 4.870) 15.624 10.842 ( 4.379 -4.200 -0.057) 6.068 10.935 ( 2.280 0.133 2.662) 3.508 11.344 ( -8.214 -5.074 2.211) 9.905 12.175 ( 5.979 -5.492 -6.056) 10.129 12.490 ( -8.009 -7.760 2.042) 11.337 17.477 ( -1.136 -1.525 -4.473) 4.861 17.653 ( -8.537 -3.790 2.007) 9.554 18.848 ( 4.871 1.600 -3.665) 6.302 18.919 ( 1.540 1.715 -0.271) 2.321 20.456 ( -0.002 -0.531 3.971) 4.007 20.599 ( -6.240 -4.668 0.927) 7.848 27.427 ( 2.620 2.832 -0.177) 3.862 27.545 ( -2.068 0.025 -1.028) 2.310 36.641 ( 1.772 2.620 -3.405) 4.648 36.697 ( 0.491 1.728 3.796) 4.199 38.254 ( 22.263 10.337 18.525) 30.751 38.950 ( -15.964 -7.421 -26.219) 31.581 ======================= Grid point 20 (14/231) ======================= q-point: (-0.46 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.607 ( -18.502 -7.656 -12.465) 23.586 4.818 ( 13.362 8.119 14.155) 21.091 5.094 ( 11.340 -13.271 -15.204) 23.149 5.326 ( 6.100 -13.994 15.247) 21.576 6.854 ( 13.792 15.393 -32.971) 38.913 6.909 ( 8.692 -0.411 -7.718) 11.631 7.016 ( -32.025 -13.013 -5.068) 34.938 7.494 ( 4.208 17.121 34.902) 39.102 8.117 ( -8.312 -2.821 -15.904) 18.165 8.365 ( 6.221 4.280 16.241) 17.910 8.773 ( 8.452 10.486 -7.915) 15.621 8.936 ( -16.067 -2.904 13.757) 21.350 10.833 ( 1.743 -5.088 -5.823) 7.927 10.860 ( -0.773 -4.920 -2.173) 5.434 11.087 ( 3.022 2.587 -0.836) 4.065 11.158 ( -3.305 -2.722 7.824) 8.919 12.256 ( 8.737 -0.674 -5.667) 10.436 12.338 ( -2.921 -6.196 4.983) 8.470 17.483 ( 3.300 2.081 -4.029) 5.609 17.544 ( -2.555 -1.188 4.064) 4.945 18.873 ( 0.398 0.779 -6.413) 6.472 18.964 ( 1.127 -0.511 5.543) 5.680 20.483 ( -4.016 -2.769 -0.346) 4.890 20.492 ( 2.899 1.169 0.828) 3.233 27.492 ( -1.722 -0.042 -0.452) 1.781 27.501 ( 1.161 2.111 0.780) 2.532 36.657 ( -0.184 1.847 -3.925) 4.342 36.721 ( -1.329 0.528 4.480) 4.703 38.466 ( -18.036 -9.449 -23.105) 30.796 38.802 ( 20.915 9.777 20.794) 31.071 ======================= Grid point 21 (15/231) ======================= q-point: (-0.38 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.059 ( -25.182 -14.531 -11.842) 31.393 4.645 ( -20.902 -17.101 -0.233) 27.007 5.212 ( 16.316 -15.958 -8.555) 24.373 5.625 ( 19.474 4.937 17.052) 26.352 6.352 ( -29.395 12.893 -12.596) 34.481 6.701 ( -8.257 -8.682 0.972) 12.021 7.336 ( 21.289 -2.910 -17.682) 27.827 7.720 ( -5.894 11.299 -10.172) 16.305 8.198 ( 6.120 13.420 19.031) 24.078 8.465 ( 4.962 -11.446 12.242) 17.479 8.768 ( -7.221 5.730 6.704) 11.398 8.997 ( 6.619 15.017 -4.923) 17.133 10.653 ( -13.228 -7.542 -6.258) 16.463 10.759 ( -1.312 -2.004 -8.125) 8.471 10.951 ( -1.420 -8.260 3.078) 8.929 11.343 ( 6.701 5.936 1.300) 9.045 12.268 ( 5.506 -8.351 5.379) 11.357 12.458 ( 11.374 3.806 -1.342) 12.069 17.535 ( 4.706 -0.314 2.129) 5.175 17.630 ( 6.403 5.943 0.066) 8.737 18.838 ( -0.872 -1.240 -3.499) 3.813 18.974 ( -3.018 -0.581 5.214) 6.052 20.404 ( -2.601 -1.586 -2.706) 4.075 20.588 ( 6.521 2.703 -0.498) 7.077 27.433 ( -3.220 -1.030 0.525) 3.421 27.561 ( 1.348 2.266 1.135) 2.871 36.627 ( -2.270 0.018 -3.391) 4.081 36.713 ( -2.860 0.556 4.151) 5.071 37.964 ( -19.002 -10.294 -19.460) 29.081 39.317 ( 18.633 8.587 21.557) 29.760 ======================= Grid point 22 (16/231) ======================= q-point: (-0.31 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.424 ( -28.524 -17.564 -8.250) 34.499 4.065 ( -29.688 -15.094 -3.334) 33.472 5.127 ( 1.756 -19.213 -3.401) 19.591 6.034 ( 3.561 13.822 3.399) 14.672 6.224 ( 5.146 10.639 8.152) 14.357 6.566 ( -3.145 -1.630 -1.311) 3.777 6.936 ( -30.936 -13.301 -17.951) 38.160 7.959 ( -14.765 -7.375 7.841) 18.273 8.174 ( 18.423 6.851 -12.697) 23.400 8.646 ( 10.165 -3.496 12.094) 16.180 8.833 ( 5.284 4.133 0.683) 6.743 9.157 ( -5.357 12.983 -5.599) 15.120 10.384 ( -4.443 -8.765 -7.879) 12.595 10.702 ( -2.603 5.252 -8.678) 10.472 10.970 ( 5.495 3.890 6.241) 9.181 11.459 ( 2.721 2.932 0.002) 4.000 12.419 ( 17.793 -6.382 11.593) 22.175 12.719 ( 16.485 5.321 -0.505) 17.329 17.673 ( 9.611 0.958 4.196) 10.531 17.803 ( 7.780 5.977 -1.556) 9.933 18.793 ( -1.997 -2.380 0.919) 3.240 18.909 ( -6.663 -0.231 2.741) 7.209 20.333 ( -2.121 -1.139 -6.078) 6.538 20.739 ( 8.702 3.253 -0.822) 9.327 27.382 ( -2.384 -0.712 0.880) 2.639 27.591 ( -0.657 1.252 1.391) 1.983 36.553 ( -4.020 -1.577 -2.721) 5.104 36.686 ( -3.869 1.027 4.128) 5.750 37.476 ( -18.392 -10.026 -15.560) 26.094 39.772 ( 15.212 6.831 21.373) 27.109 ======================= Grid point 23 (17/231) ======================= q-point: (-0.23 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.733 ( -31.838 -18.584 -4.975) 37.199 3.392 ( -38.715 -8.200 -1.293) 39.595 5.000 ( 1.679 -10.591 2.176) 10.942 5.908 ( -54.553 -15.079 -4.858) 56.806 6.105 ( -9.179 8.107 -1.866) 12.388 6.557 ( 2.081 1.352 -13.032) 13.266 6.646 ( 16.464 2.688 8.570) 18.755 7.577 ( -20.795 -0.504 1.659) 20.867 8.247 ( 2.996 -16.394 -7.027) 18.086 8.853 ( -0.515 0.359 7.988) 8.013 9.000 ( -11.179 2.401 2.111) 11.627 9.202 ( 31.780 15.480 -10.417) 36.852 10.202 ( -0.400 -13.656 -10.243) 17.075 10.641 ( -5.818 4.316 -8.270) 10.994 11.222 ( 6.868 13.204 5.867) 15.998 11.515 ( 2.750 0.506 0.920) 2.943 12.882 ( 32.603 3.043 16.059) 36.471 13.079 ( 21.215 5.626 0.360) 21.951 17.887 ( 12.083 1.689 4.344) 12.951 17.957 ( 6.786 3.464 -2.398) 7.987 18.719 ( -6.956 -2.208 3.959) 8.302 18.810 ( -5.374 -0.245 0.954) 5.464 20.248 ( -2.211 -1.024 -9.788) 10.086 20.905 ( 8.571 2.673 -0.970) 9.030 27.353 ( -1.180 -0.230 0.752) 1.418 27.576 ( -2.724 0.236 1.187) 2.981 36.439 ( -6.381 -2.535 -2.209) 7.213 36.654 ( -4.145 1.531 4.372) 6.216 37.045 ( -15.240 -8.316 -11.292) 20.710 40.147 ( 11.452 4.728 20.413) 23.879 ======================= Grid point 24 (18/231) ======================= q-point: (-0.15 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.010 ( -35.663 -14.874 -2.544) 38.724 2.650 ( -47.297 -1.860 1.153) 47.347 4.574 ( -77.369 -16.759 -6.508) 79.430 5.037 ( 4.106 -2.987 1.447) 5.280 6.035 ( -10.750 3.662 3.086) 11.769 6.518 ( 1.989 -0.775 -12.470) 12.652 6.911 ( 12.175 -4.324 4.562) 13.702 7.386 ( -10.543 10.350 0.217) 14.776 8.091 ( 1.591 -14.567 -3.010) 14.960 8.670 ( -21.033 3.733 1.855) 21.442 8.970 ( 3.502 -1.319 -0.397) 3.763 9.849 ( 25.331 10.941 -1.086) 27.615 10.069 ( 11.839 -11.672 -7.325) 18.167 10.513 ( -9.271 2.130 -5.088) 10.787 11.419 ( 3.781 6.699 2.039) 7.958 11.575 ( 3.546 -0.617 1.666) 3.966 13.484 ( 22.224 4.021 0.253) 22.586 13.605 ( 37.416 8.364 12.655) 40.375 18.060 ( 4.949 0.977 -2.167) 5.490 18.114 ( 11.139 1.070 3.236) 11.648 18.575 ( -9.911 -0.653 1.523) 10.048 18.743 ( -3.948 -1.013 3.500) 5.372 20.145 ( -2.605 -0.819 -11.661) 11.977 21.045 ( 6.848 1.414 -0.837) 7.042 27.345 ( -0.248 0.044 0.335) 0.419 27.524 ( -4.002 -0.327 0.620) 4.063 36.267 ( -10.454 -2.767 -1.983) 10.994 36.627 ( -3.817 1.856 4.196) 5.968 36.745 ( -8.227 -4.873 -6.466) 11.542 40.436 ( 8.349 2.528 17.252) 19.332 ======================= Grid point 25 (19/231) ======================= q-point: (-0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.312 ( -39.348 0.000 0.000) 39.348 1.836 ( -53.493 0.000 0.000) 53.493 3.070 ( -91.232 0.000 0.000) 91.232 5.129 ( 5.625 -0.000 -0.000) 5.625 5.876 ( -10.139 0.000 0.000) 10.139 6.514 ( 2.237 -0.000 -0.000) 2.237 7.053 ( 7.905 -0.000 -0.000) 7.905 7.315 ( -6.550 0.000 0.000) 6.550 8.038 ( 1.169 -0.000 -0.000) 1.169 8.372 ( -17.492 0.000 0.000) 17.492 9.011 ( 1.960 -0.000 -0.000) 1.960 9.951 ( 2.448 -0.000 -0.000) 2.448 10.351 ( -9.228 0.000 0.000) 9.228 10.525 ( 31.327 -0.000 -0.000) 31.327 11.509 ( 3.174 -0.000 -0.000) 3.174 11.617 ( 1.038 -0.000 -0.000) 1.038 13.840 ( 18.489 -0.000 -0.000) 18.489 14.254 ( 30.769 -0.000 -0.000) 30.769 18.119 ( 2.646 -0.000 -0.000) 2.646 18.270 ( 5.932 -0.000 -0.000) 5.932 18.427 ( -7.880 0.000 0.000) 7.880 18.700 ( -1.942 0.000 0.000) 1.942 20.051 ( -3.072 0.000 0.000) 3.072 21.142 ( 4.588 -0.000 -0.000) 4.588 27.346 ( 0.176 -0.000 -0.000) 0.176 27.458 ( -3.817 0.000 0.000) 3.817 36.066 ( -10.696 0.000 0.000) 10.696 36.601 ( -3.127 0.000 0.000) 3.127 36.613 ( -2.884 0.000 0.000) 2.884 40.624 ( 6.359 -0.000 -0.000) 6.359 ======================= Grid point 28 (20/231) ======================= q-point: ( 0.15 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.084 ( 0.000 36.533 27.015) 45.436 2.353 ( 0.000 44.748 25.798) 51.652 3.535 ( 0.000 76.544 14.024) 77.818 5.344 ( 0.000 -0.946 11.954) 11.991 5.513 ( -0.000 4.997 -19.036) 19.681 6.667 ( 0.000 -12.461 2.668) 12.743 7.217 ( 0.000 6.959 20.550) 21.696 7.447 ( 0.000 -5.934 9.092) 10.857 7.773 ( -0.000 5.077 -21.324) 21.920 8.522 ( 0.000 11.623 4.386) 12.423 8.873 ( -0.000 -5.594 -9.808) 11.291 9.930 ( 0.000 0.142 1.070) 1.079 10.266 ( 0.000 0.525 5.318) 5.344 10.370 ( -0.000 -26.104 -3.911) 26.396 11.434 ( -0.000 -3.696 -2.967) 4.739 11.601 ( -0.000 -1.245 -3.587) 3.797 13.708 ( -0.000 -22.293 -2.737) 22.460 14.458 ( 0.000 -16.628 7.844) 18.385 18.033 ( -0.000 -6.520 -3.141) 7.237 18.313 ( -0.000 6.136 -12.550) 13.969 18.351 ( -0.000 -2.911 -4.109) 5.036 18.441 ( 0.000 9.375 -1.087) 9.438 20.657 ( 0.000 -24.707 42.487) 49.148 21.170 ( 0.000 -5.826 4.979) 7.664 27.352 ( 0.000 0.345 0.328) 0.476 27.460 ( -0.000 3.811 -1.494) 4.094 36.059 ( -0.000 10.369 -2.361) 10.634 36.566 ( -0.000 2.625 -3.808) 4.625 36.640 ( 0.000 3.289 1.647) 3.678 39.790 ( -0.000 33.714 -65.678) 73.825 ======================= Grid point 29 (21/231) ======================= q-point: ( 0.23 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.490 ( -3.820 33.050 28.527) 43.825 2.924 ( 7.244 42.336 15.558) 45.682 4.574 ( 31.699 57.542 10.253) 66.491 5.130 ( -11.986 -0.831 -0.694) 12.035 5.763 ( 19.346 3.325 -4.690) 20.183 6.574 ( 1.150 -10.501 -0.771) 10.592 7.119 ( -14.579 -7.836 6.340) 17.725 7.608 ( 4.184 10.802 10.313) 15.509 7.810 ( 8.792 4.225 -5.555) 11.226 8.652 ( 1.773 6.501 -4.933) 8.351 8.798 ( 3.333 -1.091 -9.008) 9.667 9.982 ( 1.586 -21.504 6.274) 22.456 10.034 ( -4.744 -4.191 4.032) 7.505 10.407 ( 10.354 -0.740 1.647) 10.510 11.405 ( 1.843 -2.744 -1.956) 3.841 11.536 ( -3.028 -2.254 -4.339) 5.751 13.406 ( -7.301 -24.464 -4.685) 25.956 14.003 ( -36.698 -18.196 8.354) 41.804 17.945 ( -0.749 -9.770 -3.584) 10.433 18.247 ( -6.570 -3.436 3.895) 8.375 18.363 ( 7.653 6.293 -17.257) 19.899 18.585 ( 5.211 8.936 -1.222) 10.416 20.603 ( -3.999 -15.575 28.504) 32.727 21.110 ( -3.008 -7.392 4.880) 9.354 27.354 ( -0.610 0.822 0.268) 1.058 27.501 ( 1.447 3.815 -1.948) 4.522 36.223 ( 8.000 9.279 -1.035) 12.296 36.570 ( -0.155 3.799 -4.643) 6.001 36.750 ( 8.062 4.474 3.848) 9.991 39.776 ( 0.267 20.159 -47.634) 51.725 ======================= Grid point 30 (22/231) ======================= q-point: ( 0.31 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.922 ( 6.022 28.617 22.976) 37.190 3.521 ( 13.840 33.073 12.723) 38.043 4.906 ( -3.990 -0.166 -0.227) 4.000 5.608 ( 29.204 24.172 -4.437) 38.168 6.093 ( 14.678 8.649 0.589) 17.047 6.482 ( 0.299 -8.143 -3.008) 8.686 6.872 ( -3.122 -8.897 2.108) 9.662 7.637 ( -6.475 5.928 -3.269) 9.367 8.173 ( 15.562 12.629 16.328) 25.851 8.588 ( -1.248 -5.624 -11.523) 12.883 8.876 ( 2.149 9.623 -12.149) 15.647 9.660 ( -8.896 -21.413 14.312) 27.248 10.198 ( 10.156 0.096 10.119) 14.337 10.565 ( 9.938 -2.514 0.171) 10.253 11.392 ( -4.862 0.822 -2.899) 5.720 11.454 ( 1.156 -2.683 -1.847) 3.456 12.954 ( -21.330 -25.545 -4.383) 33.566 13.226 ( -34.551 -14.582 4.976) 37.831 17.780 ( -4.533 -10.854 -4.267) 12.513 18.127 ( -7.590 -3.181 4.740) 9.497 18.478 ( 9.659 4.068 -13.427) 17.033 18.736 ( 4.419 8.162 -2.279) 9.557 20.546 ( -3.431 -8.853 17.948) 20.305 20.987 ( -5.642 -8.365 3.785) 10.776 27.355 ( -0.465 1.464 0.029) 1.536 27.548 ( 1.339 3.312 -2.280) 4.239 36.418 ( 6.818 5.248 0.855) 8.646 36.593 ( 1.000 5.181 -5.001) 7.270 37.042 ( 17.634 7.028 7.602) 20.448 39.661 ( -5.775 9.397 -35.606) 37.275 ======================= Grid point 31 (23/231) ======================= q-point: ( 0.38 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.446 ( 16.064 23.822 16.064) 32.918 4.101 ( 16.938 21.820 15.097) 31.479 4.918 ( 7.135 -4.397 1.687) 8.549 5.923 ( -7.674 -11.547 -13.013) 19.015 6.036 ( 5.376 3.879 -9.486) 11.573 6.593 ( 6.610 1.850 -5.519) 8.807 7.083 ( 20.511 9.822 14.005) 26.708 7.586 ( 4.536 -4.410 -8.616) 10.689 8.392 ( -1.829 -6.312 -11.129) 12.925 8.584 ( -2.549 16.155 16.091) 22.943 8.817 ( -8.479 2.813 -12.604) 15.448 9.523 ( -0.548 -9.344 15.611) 18.202 10.422 ( 9.674 3.322 8.727) 13.445 10.681 ( 7.609 -4.310 2.337) 9.052 11.226 ( -16.116 3.474 -0.804) 16.506 11.464 ( 1.357 -3.485 0.394) 3.760 12.273 ( -22.262 -21.618 -1.013) 31.047 12.789 ( -12.070 -11.091 -0.018) 16.392 17.587 ( -4.684 -8.423 -3.862) 10.382 17.975 ( -9.900 -3.510 2.725) 10.852 18.609 ( 9.509 2.355 -7.804) 12.525 18.847 ( 2.703 6.041 -3.569) 7.519 20.507 ( -2.503 -4.989 10.666) 12.038 20.822 ( -6.841 -8.064 2.430) 10.851 27.373 ( 0.607 2.334 -0.044) 2.412 27.576 ( 0.136 2.322 -2.200) 3.201 36.548 ( 4.224 3.220 0.511) 5.336 36.647 ( 2.028 4.958 -2.625) 5.965 37.499 ( 23.352 8.385 10.847) 27.079 39.407 ( -12.043 2.269 -28.379) 30.912 ======================= Grid point 32 (24/231) ======================= q-point: ( 0.46 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.026 ( 21.783 19.419 9.437) 30.671 4.602 ( 14.629 12.185 16.778) 25.376 5.010 ( 11.742 -15.071 1.507) 19.164 5.414 ( -20.892 -16.517 -11.558) 29.032 6.265 ( 14.830 8.229 -11.166) 20.306 6.668 ( 3.686 9.310 -4.254) 10.879 7.409 ( 9.600 -10.721 4.749) 15.154 7.675 ( 11.794 1.076 -15.773) 19.724 8.220 ( -4.152 -7.255 -7.010) 10.910 8.494 ( -20.216 5.333 14.646) 25.527 8.759 ( -5.974 15.527 -7.715) 18.338 9.469 ( -9.564 -6.363 12.683) 17.112 10.660 ( 9.063 3.347 2.754) 10.047 10.758 ( 3.965 0.744 4.355) 5.936 10.998 ( -10.877 -1.621 7.027) 13.051 11.402 ( -4.297 -6.005 0.852) 7.432 11.976 ( 4.187 -10.913 -4.224) 12.429 12.553 ( -8.001 -7.658 1.422) 11.166 17.459 ( -1.639 -3.604 -2.889) 4.901 17.780 ( -10.539 -3.680 1.137) 11.221 18.747 ( 8.405 1.818 -3.169) 9.165 18.898 ( 1.141 2.643 -4.052) 4.970 20.480 ( -1.484 -2.475 5.541) 6.247 20.656 ( -6.204 -6.302 1.405) 8.954 27.419 ( 1.928 3.112 0.166) 3.665 27.572 ( -1.418 1.099 -1.636) 2.428 36.627 ( 2.155 3.717 -1.923) 4.707 36.713 ( 1.778 2.628 1.328) 3.440 38.036 ( 25.358 8.397 13.198) 29.795 39.039 ( -16.795 -2.510 -23.525) 29.014 ======================= Grid point 33 (25/231) ======================= q-point: ( 0.54 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.548 ( 20.335 8.247 -2.273) 22.061 4.821 ( -18.154 -9.555 -12.217) 23.877 4.928 ( 1.470 -4.030 3.591) 5.594 5.076 ( 12.007 -16.018 19.958) 28.268 6.514 ( 18.220 4.872 -15.148) 24.190 6.802 ( 2.685 -0.525 -4.038) 4.877 7.362 ( -21.585 0.036 -22.441) 31.137 7.636 ( 15.422 7.326 5.141) 17.831 8.136 ( -4.761 -0.528 -0.228) 4.795 8.461 ( -3.405 5.551 17.764) 18.920 8.769 ( -1.451 12.707 -8.655) 15.443 9.259 ( -16.113 -4.235 15.055) 22.455 10.701 ( 3.330 -6.917 -4.269) 8.783 10.818 ( -2.005 -2.610 1.264) 3.526 11.049 ( 8.502 4.967 6.722) 11.923 11.225 ( -8.823 -10.185 1.487) 13.556 12.053 ( 11.497 -0.658 -4.819) 12.483 12.374 ( -6.892 -7.527 3.331) 10.736 17.442 ( 1.938 1.660 -2.861) 3.834 17.610 ( -6.322 -3.152 2.180) 7.393 18.849 ( 1.600 2.676 -4.503) 5.477 18.923 ( 4.496 -1.429 1.044) 4.832 20.475 ( 0.508 -0.500 2.050) 2.170 20.525 ( -4.687 -3.934 0.524) 6.141 27.489 ( 2.466 3.331 0.404) 4.164 27.537 ( -2.595 0.072 -0.664) 2.680 36.667 ( 0.070 3.424 -2.932) 4.508 36.759 ( 0.295 1.002 3.207) 3.373 38.544 ( 1.469 0.629 -7.308) 7.480 38.644 ( 4.162 1.638 2.101) 4.941 ======================= Grid point 34 (26/231) ======================= q-point: (-0.38 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.291 ( -22.659 -11.927 -11.688) 28.148 4.551 ( -5.122 -23.692 -11.460) 26.812 4.975 ( 7.359 -1.016 3.156) 8.071 5.436 ( 18.637 4.033 22.056) 29.156 6.696 ( -3.150 -7.805 -5.640) 10.132 6.728 ( 2.221 -14.241 -5.354) 15.375 6.953 ( -4.136 25.140 -28.706) 38.381 7.959 ( -14.166 4.784 -8.679) 17.288 8.190 ( 19.979 13.902 14.119) 28.139 8.497 ( -5.841 -5.824 21.496) 23.024 8.920 ( 9.493 14.110 -6.314) 18.141 9.084 ( -12.589 3.861 11.831) 17.702 10.641 ( 0.638 -6.660 -8.337) 10.689 10.757 ( -2.046 -2.086 -2.163) 3.635 10.941 ( -10.624 -12.996 1.470) 16.850 11.265 ( 9.606 1.670 2.951) 10.187 12.147 ( 1.328 -4.272 -3.450) 5.650 12.315 ( 7.221 -1.901 3.784) 8.372 17.474 ( 1.902 0.710 -2.611) 3.308 17.598 ( 3.915 2.047 3.364) 5.553 18.832 ( -1.087 0.618 -3.817) 4.017 18.996 ( 2.547 -1.021 3.544) 4.483 20.430 ( -3.679 -2.157 -0.715) 4.324 20.518 ( 3.990 1.021 0.185) 4.122 27.479 ( -3.277 -0.457 -0.223) 3.316 27.565 ( 2.060 2.840 1.065) 3.667 36.659 ( -2.321 1.736 -2.503) 3.829 36.776 ( -1.264 0.934 3.397) 3.743 38.107 ( -20.540 -6.944 -16.586) 27.298 39.141 ( 23.411 6.657 14.878) 28.526 ======================= Grid point 35 (27/231) ======================= q-point: (-0.31 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.725 ( -29.193 -10.629 -5.514) 31.553 4.145 ( -8.813 -21.569 -11.572) 26.015 5.011 ( -1.098 -4.423 1.555) 4.816 5.894 ( 19.452 5.404 15.759) 25.611 6.498 ( -11.722 5.306 -2.506) 13.109 6.573 ( -2.415 -1.070 -6.146) 6.690 7.039 ( -3.459 -4.500 -16.277) 17.238 7.878 ( 5.019 17.977 -15.811) 24.462 8.254 ( -8.818 -20.379 17.133) 28.046 8.606 ( 1.921 6.055 14.724) 16.036 8.927 ( -13.137 6.108 0.025) 14.487 9.264 ( 6.688 12.930 -0.602) 14.570 10.425 ( -12.163 -7.311 -7.778) 16.183 10.695 ( -0.076 -1.325 -4.163) 4.370 10.898 ( 11.660 3.560 3.101) 12.580 11.410 ( 6.405 -1.126 0.744) 6.546 12.128 ( 8.349 -9.437 2.934) 12.937 12.504 ( 13.575 1.349 0.414) 13.648 17.542 ( 7.423 -0.010 0.248) 7.427 17.733 ( 6.691 3.674 0.866) 7.682 18.809 ( -0.844 0.586 -0.840) 1.327 18.999 ( -3.065 -1.073 2.534) 4.119 20.350 ( -3.640 -1.262 -2.149) 4.412 20.625 ( 7.560 1.661 -0.348) 7.748 27.423 ( -2.996 -0.533 0.282) 3.056 27.615 ( 0.512 1.913 1.057) 2.245 36.602 ( -4.236 0.043 -1.636) 4.541 36.773 ( -2.534 1.489 3.239) 4.374 37.635 ( -20.486 -6.905 -12.313) 24.879 39.624 ( 20.657 5.007 12.630) 24.724 ======================= Grid point 36 (28/231) ======================= q-point: (-0.23 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.111 ( -32.629 -8.472 -2.280) 33.788 3.758 ( -17.839 -8.704 -5.040) 20.478 4.932 ( -2.443 -3.764 1.630) 4.774 6.276 ( 10.801 5.464 7.576) 14.280 6.420 ( -8.655 1.186 8.150) 11.948 6.520 ( -2.999 2.751 -8.582) 9.498 6.592 ( -26.070 -5.973 -12.437) 29.496 7.962 ( -20.121 -5.165 14.798) 25.506 8.053 ( 2.348 0.899 -15.478) 15.681 8.766 ( 11.162 -0.977 13.091) 17.232 8.858 ( 8.995 3.920 -9.974) 13.991 9.273 ( -11.560 3.517 -0.812) 12.110 10.161 ( -9.277 -5.314 -4.419) 11.569 10.674 ( -0.086 -0.408 -2.870) 2.900 11.250 ( 10.964 15.587 2.185) 19.182 11.460 ( 3.387 -4.132 -0.280) 5.350 12.373 ( 30.796 -6.057 5.694) 31.898 12.782 ( 19.021 1.512 0.266) 19.083 17.708 ( 11.994 0.325 0.948) 12.036 17.868 ( 6.514 1.722 -0.352) 6.747 18.803 ( -1.510 1.241 1.721) 2.604 18.908 ( -7.325 -1.324 0.234) 7.447 20.264 ( -4.198 -0.750 -2.779) 5.090 20.776 ( 9.119 1.197 -0.304) 9.202 27.379 ( -2.041 -0.239 0.317) 2.079 27.623 ( -1.598 0.765 0.672) 1.895 36.513 ( -5.556 -0.650 -0.856) 5.659 36.756 ( -3.308 1.751 2.966) 4.776 37.205 ( -19.149 -5.067 -7.414) 21.150 40.020 ( 17.221 2.753 8.216) 19.278 ======================= Grid point 37 (29/231) ======================= q-point: (-0.15 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.514 ( -35.030 0.000 0.000) 35.030 3.300 ( -33.638 0.000 0.000) 33.638 4.931 ( 4.052 -0.000 -0.000) 4.052 5.673 ( -64.105 0.000 0.000) 64.105 6.285 ( -13.505 0.000 0.000) 13.505 6.445 ( 2.270 -0.000 -0.000) 2.270 6.687 ( 14.695 -0.000 -0.000) 14.695 7.665 ( -17.838 0.000 0.000) 17.838 7.979 ( 0.570 -0.000 -0.000) 0.570 8.882 ( 5.410 -0.000 -0.000) 5.410 9.030 ( -19.297 0.000 0.000) 19.297 9.337 ( 37.666 -0.000 -0.000) 37.666 9.989 ( -6.154 0.000 0.000) 6.154 10.630 ( -4.920 0.000 0.000) 4.920 11.424 ( 1.288 -0.000 -0.000) 1.288 11.497 ( 5.628 -0.000 -0.000) 5.628 13.001 ( 43.002 -0.000 -0.000) 43.002 13.133 ( 22.664 -0.000 -0.000) 22.664 17.923 ( 13.358 -0.000 -0.000) 13.358 17.973 ( 5.785 -0.000 -0.000) 5.785 18.748 ( -10.361 0.000 0.000) 10.361 18.794 ( -2.197 0.000 0.000) 2.197 20.180 ( -4.539 0.000 0.000) 4.539 20.925 ( 8.528 -0.000 -0.000) 8.528 27.355 ( -1.004 0.000 0.000) 1.004 27.587 ( -3.383 0.000 0.000) 3.383 36.402 ( -7.742 0.000 0.000) 7.742 36.723 ( -3.462 0.000 0.000) 3.462 36.874 ( -15.195 0.000 0.000) 15.195 40.305 ( 13.574 -0.000 -0.000) 13.574 ======================= Grid point 42 (30/231) ======================= q-point: ( 0.23 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.965 ( 0.000 29.961 23.919) 38.337 3.362 ( 0.000 35.937 22.714) 42.513 4.862 ( 0.000 48.005 3.030) 48.100 5.383 ( -0.000 7.699 -15.456) 17.267 5.430 ( 0.000 -3.133 9.242) 9.758 6.473 ( -0.000 -8.933 -1.480) 9.055 7.063 ( -0.000 -25.089 -10.611) 27.241 7.786 ( 0.000 28.297 26.681) 38.891 7.822 ( -0.000 5.900 -9.273) 10.991 8.673 ( -0.000 -1.201 -10.185) 10.255 8.726 ( -0.000 8.466 -1.801) 8.655 9.787 ( 0.000 -25.226 4.341) 25.597 10.087 ( 0.000 4.839 0.569) 4.872 10.316 ( 0.000 -2.209 7.748) 8.057 11.350 ( -0.000 -3.284 -0.362) 3.304 11.502 ( -0.000 -4.322 -5.030) 6.632 13.193 ( -0.000 -26.814 -6.547) 27.602 14.174 ( 0.000 -24.249 11.462) 26.821 17.838 ( -0.000 -9.556 -4.913) 10.745 18.229 ( -0.000 -1.634 -9.026) 9.173 18.311 ( -0.000 0.704 -2.966) 3.049 18.637 ( 0.000 12.459 -1.094) 12.507 20.616 ( 0.000 -14.906 22.738) 27.189 21.084 ( 0.000 -9.067 5.150) 10.428 27.373 ( 0.000 1.500 0.622) 1.624 27.512 ( -0.000 3.555 -2.233) 4.198 36.248 ( -0.000 12.155 -2.506) 12.410 36.586 ( -0.000 3.751 -4.002) 5.486 36.736 ( 0.000 4.494 2.699) 5.242 39.752 ( -0.000 18.905 -38.801) 43.162 ======================= Grid point 43 (31/231) ======================= q-point: ( 0.31 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.324 ( -2.510 27.596 23.565) 36.375 3.749 ( 0.693 26.180 16.666) 31.043 5.057 ( -9.151 -1.469 -6.196) 11.148 5.371 ( 15.163 14.315 -4.260) 21.283 5.877 ( 21.568 17.370 -1.923) 27.760 6.380 ( -0.162 -8.610 -2.581) 8.990 6.772 ( -0.861 -15.887 -6.238) 17.089 7.736 ( -5.260 -5.374 -6.046) 9.649 8.271 ( 5.523 27.516 15.706) 32.161 8.597 ( -3.140 8.056 0.661) 8.671 8.851 ( 4.722 8.824 -8.556) 13.167 9.566 ( -1.149 -23.388 6.315) 24.253 10.178 ( 3.138 6.406 7.334) 10.231 10.403 ( 7.434 -2.377 4.518) 9.018 11.343 ( 2.530 -3.781 0.815) 4.622 11.427 ( -0.595 -3.819 -4.947) 6.278 12.861 ( -5.763 -26.094 -7.539) 27.766 13.716 ( -31.766 -22.931 10.219) 40.488 17.705 ( -1.879 -11.127 -4.212) 12.045 18.204 ( -0.145 -5.829 4.468) 7.346 18.299 ( 3.893 4.433 -14.684) 15.825 18.768 ( 1.863 11.794 -1.460) 12.029 20.579 ( -1.469 -10.647 15.871) 19.168 20.993 ( -3.056 -10.151 4.339) 11.455 27.384 ( -0.937 1.957 0.532) 2.234 27.544 ( 1.374 3.095 -2.405) 4.154 36.388 ( 4.356 9.324 -1.213) 10.363 36.604 ( 0.370 4.904 -4.751) 6.838 36.889 ( 11.434 5.537 4.710) 13.549 39.692 ( -4.878 12.681 -30.151) 33.071 ======================= Grid point 44 (32/231) ======================= q-point: ( 0.38 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.663 ( 0.571 26.596 19.432) 32.943 4.089 ( 11.675 8.366 17.256) 22.451 4.923 ( -5.798 4.009 -3.263) 7.768 5.697 ( 23.356 -0.651 -11.874) 26.209 5.988 ( -9.889 -7.981 -10.440) 16.446 6.349 ( 8.531 -6.917 -8.324) 13.781 6.925 ( 18.271 10.521 10.050) 23.357 7.530 ( -5.786 -9.082 -5.427) 12.059 8.320 ( -3.747 -1.544 -13.837) 14.418 8.903 ( -2.850 10.088 -11.349) 15.450 8.944 ( -0.722 31.453 21.818) 38.287 9.419 ( 3.396 -18.063 10.781) 21.308 10.372 ( 7.666 6.629 7.760) 12.764 10.530 ( 8.379 -2.819 4.660) 9.993 11.339 ( 1.517 -2.471 -3.456) 4.511 11.387 ( 0.563 -3.753 0.887) 3.897 12.417 ( -17.438 -26.076 -4.130) 31.640 13.029 ( -29.929 -13.766 6.291) 33.538 17.543 ( -2.783 -10.273 -2.754) 10.994 18.109 ( -8.128 -3.612 4.134) 9.809 18.398 ( 11.886 1.205 -12.047) 16.967 18.878 ( 0.290 9.499 -2.449) 9.814 20.539 ( -1.614 -6.718 10.122) 12.256 20.849 ( -5.054 -9.864 2.964) 11.473 27.393 ( -0.415 2.277 0.339) 2.339 27.579 ( 0.943 2.504 -2.312) 3.537 36.519 ( 3.887 4.875 0.650) 6.269 36.646 ( 1.670 5.547 -4.817) 7.534 37.248 ( 21.243 6.820 7.015) 23.388 39.513 ( -11.554 6.597 -23.625) 27.114 ======================= Grid point 45 (33/231) ======================= q-point: ( 0.46 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.051 ( 8.596 23.209 11.902) 27.463 4.436 ( 17.484 -8.426 19.919) 27.811 4.876 ( -1.611 1.592 -3.440) 4.118 5.606 ( -21.126 -5.023 -4.910) 22.263 6.016 ( 19.425 2.416 -8.749) 21.441 6.438 ( 19.139 -4.626 -12.895) 23.537 7.151 ( 3.971 -17.905 1.712) 18.419 7.546 ( 7.973 16.261 -5.632) 18.966 8.152 ( -2.120 -5.678 -13.393) 14.701 8.837 ( -9.447 8.794 -4.642) 13.716 9.086 ( -14.008 10.062 13.818) 22.100 9.485 ( 3.522 -0.374 7.814) 8.579 10.553 ( 5.864 0.030 -0.624) 5.897 10.701 ( 9.752 2.124 9.918) 14.071 11.266 ( -13.340 -0.278 2.933) 13.661 11.368 ( 2.413 -6.800 1.728) 7.419 11.884 ( -12.046 -16.159 -0.128) 20.155 12.641 ( -11.537 -7.342 1.284) 13.735 17.424 ( -0.665 -6.067 -1.215) 6.223 17.931 ( -11.191 -3.173 0.907) 11.668 18.557 ( 12.831 -0.369 -6.168) 14.241 18.923 ( -1.887 6.073 -3.456) 7.238 20.505 ( -1.469 -3.793 5.795) 7.080 20.691 ( -5.249 -7.821 1.741) 9.579 27.423 ( 1.109 2.614 0.356) 2.862 27.592 ( -0.519 1.643 -1.893) 2.559 36.616 ( 2.946 3.690 0.111) 4.723 36.705 ( 2.278 3.746 -2.328) 4.965 37.740 ( 26.204 6.649 8.623) 28.376 39.208 ( -17.458 1.755 -18.754) 25.682 ======================= Grid point 46 (34/231) ======================= q-point: ( 0.54 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.436 ( 5.703 14.381 0.518) 15.479 4.553 ( 12.125 -22.123 -2.941) 25.399 4.976 ( 9.256 3.274 21.858) 23.961 5.198 ( -24.514 -0.953 -1.182) 24.561 6.218 ( 12.229 -1.917 -9.616) 15.674 6.707 ( 9.187 -1.712 -3.102) 9.846 7.175 ( 30.158 -7.670 -6.253) 31.740 7.554 ( -12.294 8.702 -27.351) 31.224 8.156 ( 6.070 1.299 5.715) 8.438 8.751 ( -11.019 6.376 8.522) 15.319 8.974 ( -12.779 7.882 1.053) 15.051 9.460 ( -8.275 -2.492 7.291) 11.306 10.574 ( 2.475 -5.680 -3.092) 6.924 10.914 ( 7.092 3.295 1.807) 8.026 10.989 ( -12.748 -9.342 10.938) 19.220 11.281 ( -6.027 -6.217 1.372) 8.766 11.866 ( 9.865 3.924 -1.029) 10.667 12.438 ( -7.466 -7.035 0.945) 10.302 17.407 ( 2.674 -0.368 -0.202) 2.707 17.719 ( -10.535 -3.359 -0.190) 11.060 18.735 ( 11.947 -0.731 -1.861) 12.113 18.903 ( -2.965 2.593 -3.677) 5.388 20.481 ( -0.805 -1.646 2.712) 3.273 20.561 ( -4.297 -4.809 0.884) 6.509 27.480 ( 2.480 2.715 0.507) 3.712 27.574 ( -2.057 0.678 -1.203) 2.477 36.682 ( 1.109 3.772 -1.407) 4.176 36.759 ( 1.984 1.174 0.572) 2.375 38.282 ( 27.351 5.914 8.706) 29.306 38.809 ( -20.847 -1.734 -14.188) 25.277 ======================= Grid point 47 (35/231) ======================= q-point: (-0.38 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.239 ( -6.632 -15.437 -12.615) 21.010 4.738 ( -22.789 -9.495 0.870) 24.703 4.774 ( 9.539 1.618 -0.685) 9.699 5.375 ( 14.183 11.116 24.404) 30.336 6.311 ( 14.272 -12.197 -13.053) 22.865 6.653 ( -1.854 -7.360 -1.799) 7.800 7.274 ( -15.158 16.707 -24.616) 33.389 7.796 ( 34.296 5.442 -2.843) 34.841 8.234 ( -2.722 1.537 6.178) 6.924 8.680 ( -8.431 0.229 18.384) 20.226 8.898 ( -1.921 10.151 -7.988) 13.059 9.347 ( -7.773 0.155 9.530) 12.299 10.527 ( 1.303 -5.724 -4.348) 7.305 10.800 ( -7.699 -2.630 5.561) 9.855 10.980 ( -2.856 -11.148 -3.434) 12.010 11.157 ( 0.606 -0.309 2.341) 2.438 12.072 ( 7.694 6.549 -3.654) 10.744 12.274 ( -4.525 -7.298 4.037) 9.489 17.469 ( 0.835 3.473 -2.207) 4.199 17.575 ( -1.111 -3.157 2.360) 4.095 18.851 ( -2.251 1.592 -2.875) 3.983 18.902 ( 8.811 -1.569 0.827) 8.987 20.468 ( -3.567 -2.237 0.148) 4.213 20.483 ( 1.148 -0.243 0.797) 1.419 27.527 ( -2.927 0.312 -0.587) 3.002 27.553 ( 2.686 1.935 0.695) 3.382 36.701 ( -1.472 2.451 -1.597) 3.275 36.797 ( 1.097 0.391 1.681) 2.045 38.342 ( -22.691 -2.565 -11.028) 25.359 38.840 ( 26.919 3.797 8.576) 28.506 ======================= Grid point 48 (36/231) ======================= q-point: (-0.31 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.955 ( -7.227 -8.931 -7.788) 13.880 4.190 ( -29.529 -7.386 -1.805) 30.492 4.948 ( 8.170 -1.840 0.480) 8.389 5.797 ( 10.509 9.791 17.058) 22.300 6.356 ( 16.522 -12.267 -12.589) 24.123 6.561 ( -2.102 -3.585 -0.812) 4.234 7.145 ( -11.017 13.756 -11.228) 20.897 7.988 ( -4.390 6.916 -7.225) 10.923 8.216 ( -2.363 -11.135 7.874) 13.841 8.712 ( -1.371 2.573 9.125) 9.579 9.150 ( 19.580 9.089 -0.181) 21.587 9.269 ( -12.540 5.655 5.623) 14.861 10.465 ( -2.471 -3.446 -5.346) 6.823 10.719 ( -9.383 -5.341 -2.540) 11.092 10.747 ( 4.038 -2.137 2.775) 5.345 11.254 ( 8.528 -2.573 0.063) 8.908 12.077 ( -4.968 -1.017 -0.742) 5.125 12.320 ( 10.116 -0.560 1.371) 10.224 17.464 ( 1.484 0.207 -0.910) 1.753 17.655 ( 6.620 1.057 1.225) 6.815 18.822 ( -0.928 0.732 -1.059) 1.587 19.000 ( 3.277 -0.853 1.122) 3.567 20.395 ( -3.759 -0.839 -0.377) 3.870 20.533 ( 4.718 0.420 0.005) 4.737 27.472 ( -3.409 -0.168 -0.086) 3.414 27.614 ( 2.064 1.203 0.506) 2.443 36.666 ( -3.700 0.687 -0.793) 3.846 36.817 ( -0.219 0.575 1.351) 1.485 37.897 ( -23.228 -2.648 -6.179) 24.181 39.331 ( 25.195 2.353 5.420) 25.878 ======================= Grid point 49 (37/231) ======================= q-point: (-0.23 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.592 ( -31.512 0.000 0.000) 31.512 3.855 ( -5.837 0.000 0.000) 5.837 4.984 ( -2.498 0.000 0.000) 2.498 6.067 ( 14.553 -0.000 -0.000) 14.553 6.494 ( 6.732 -0.000 -0.000) 6.732 6.513 ( -1.526 0.000 0.000) 1.526 6.938 ( -19.150 0.000 0.000) 19.150 8.030 ( 5.789 -0.000 -0.000) 5.789 8.078 ( -5.972 0.000 0.000) 5.972 8.748 ( 1.758 -0.000 -0.000) 1.758 8.979 ( -23.842 0.000 0.000) 23.842 9.386 ( 0.884 -0.000 -0.000) 0.884 10.303 ( -11.149 0.000 0.000) 11.149 10.645 ( 1.030 -0.000 -0.000) 1.030 11.029 ( 25.919 -0.000 -0.000) 25.919 11.352 ( 5.359 -0.000 -0.000) 5.359 12.045 ( 5.709 -0.000 -0.000) 5.709 12.518 ( 14.343 -0.000 -0.000) 14.343 17.543 ( 8.161 -0.000 -0.000) 8.161 17.771 ( 6.552 -0.000 -0.000) 6.552 18.819 ( 0.017 -0.000 -0.000) 0.017 18.996 ( -3.386 0.000 0.000) 3.386 20.325 ( -4.266 0.000 0.000) 4.266 20.639 ( 7.938 -0.000 -0.000) 7.938 27.419 ( -2.902 0.000 0.000) 2.902 27.640 ( 0.298 -0.000 -0.000) 0.298 36.595 ( -5.001 0.000 0.000) 5.001 36.810 ( -1.587 0.000 0.000) 1.587 37.499 ( -22.020 0.000 0.000) 22.020 39.737 ( 21.669 -0.000 -0.000) 21.669 ======================= Grid point 56 (38/231) ======================= q-point: ( 0.31 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.667 ( 0.000 22.079 17.799) 28.360 4.071 ( 0.000 15.488 15.099) 21.630 4.944 ( -0.000 -6.407 -13.582) 15.017 5.298 ( -0.000 -12.981 -8.367) 15.444 5.978 ( 0.000 37.787 3.430) 37.943 6.297 ( -0.000 -6.283 -4.246) 7.583 6.608 ( -0.000 -10.215 -1.338) 10.303 7.644 ( -0.000 -13.956 -6.048) 15.210 8.569 ( -0.000 17.657 -2.854) 17.886 8.669 ( -0.000 4.954 -5.444) 7.361 8.972 ( 0.000 29.303 21.247) 36.196 9.398 ( -0.000 -16.081 1.167) 16.123 10.244 ( 0.000 5.925 5.280) 7.936 10.360 ( 0.000 -0.792 7.787) 7.827 11.300 ( 0.000 -3.590 2.876) 4.600 11.353 ( -0.000 -5.282 -5.651) 7.735 12.627 ( -0.000 -24.152 -8.713) 25.676 13.782 ( 0.000 -29.110 8.830) 30.420 17.598 ( -0.000 -10.038 -5.445) 11.420 18.104 ( -0.000 -4.284 -4.559) 6.256 18.289 ( -0.000 0.678 -3.881) 3.939 18.870 ( 0.000 13.462 -1.160) 13.512 20.566 ( 0.000 -9.214 12.114) 15.220 20.938 ( 0.000 -11.359 4.012) 12.047 27.419 ( 0.000 2.481 0.816) 2.612 27.543 ( -0.000 2.377 -2.500) 3.450 36.445 ( -0.000 10.995 -1.857) 11.151 36.624 ( -0.000 4.163 -3.311) 5.320 36.856 ( 0.000 4.838 3.359) 5.889 39.713 ( -0.000 10.948 -23.854) 26.246 ======================= Grid point 57 (39/231) ======================= q-point: ( 0.38 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.972 ( 4.018 19.919 14.903) 25.199 4.093 ( -4.504 -5.281 5.818) 9.057 5.006 ( 6.605 2.488 -2.134) 7.374 5.146 ( 13.341 -14.632 -16.292) 25.642 6.175 ( -6.283 9.606 -1.977) 11.647 6.196 ( -7.122 -2.059 -3.491) 8.194 6.779 ( 17.080 9.407 8.284) 21.186 7.470 ( -1.153 -11.388 -3.435) 11.950 8.378 ( -12.839 -0.852 -14.112) 19.098 8.856 ( 10.948 1.923 -8.241) 13.837 9.283 ( -1.006 -9.452 3.150) 10.014 9.450 ( -2.774 41.363 26.117) 48.997 10.358 ( 4.805 4.490 5.283) 8.435 10.438 ( 4.692 0.717 6.689) 8.201 11.254 ( 0.179 -5.320 -1.064) 5.428 11.340 ( 3.321 -1.652 0.019) 3.709 12.333 ( -5.485 -21.128 -7.332) 23.027 13.341 ( -22.442 -26.365 5.744) 35.096 17.466 ( -1.521 -9.662 -3.778) 10.485 18.120 ( 7.639 -5.628 0.590) 9.507 18.241 ( -2.942 1.733 -7.880) 8.588 18.980 ( -1.068 12.098 -1.475) 12.234 20.539 ( -0.520 -6.510 8.214) 10.493 20.827 ( -2.530 -11.109 2.979) 11.776 27.432 ( -1.363 2.364 0.548) 2.783 27.567 ( 1.626 1.955 -2.154) 3.333 36.536 ( 0.822 7.038 -0.030) 7.086 36.652 ( 0.782 4.930 -4.313) 6.596 37.040 ( 14.224 5.228 4.422) 15.787 39.634 ( -7.456 7.320 -18.290) 21.065 ======================= Grid point 58 (40/231) ======================= q-point: ( 0.46 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.041 ( 8.567 -13.671 2.456) 16.320 4.332 ( 8.455 17.871 13.377) 23.871 4.941 ( -5.507 -0.780 0.033) 5.562 5.462 ( 35.695 -5.578 -9.503) 37.357 5.966 ( -20.676 5.627 0.658) 21.438 6.142 ( 2.665 -3.050 -7.620) 8.630 6.970 ( 1.585 -14.250 1.989) 14.475 7.562 ( 10.390 16.542 1.676) 19.606 8.095 ( -7.779 -4.786 -16.813) 19.134 8.947 ( 3.580 2.710 -8.167) 9.320 9.186 ( -2.814 -10.760 7.823) 13.598 9.792 ( -11.251 30.248 15.228) 35.685 10.479 ( 3.412 1.829 -1.016) 4.003 10.601 ( 8.989 0.418 7.944) 12.003 11.245 ( 4.631 -5.599 1.501) 7.419 11.384 ( -0.690 2.395 1.708) 3.021 11.972 ( -13.153 -15.873 -0.513) 20.621 12.799 ( -18.272 -15.915 1.175) 24.260 17.357 ( 0.127 -7.235 -1.345) 7.360 18.080 ( -9.089 -3.052 2.669) 9.952 18.290 ( 13.583 -1.035 -8.631) 16.126 19.030 ( -3.946 8.656 -2.026) 9.726 20.513 ( -0.732 -3.936 4.920) 6.343 20.694 ( -3.526 -8.767 1.809) 9.621 27.438 ( -0.307 1.990 0.313) 2.038 27.596 ( 0.811 1.550 -1.634) 2.394 36.609 ( 2.017 3.557 1.198) 4.261 36.695 ( 1.592 4.305 -4.066) 6.132 37.424 ( 23.337 5.009 5.242) 24.437 39.421 ( -15.039 3.623 -13.621) 20.612 ======================= Grid point 59 (41/231) ======================= q-point: ( 0.54 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.117 ( 16.260 -16.460 -1.650) 23.196 4.610 ( -5.052 16.527 -0.225) 17.284 4.944 ( 8.517 -1.932 18.621) 20.567 5.633 ( -24.884 4.068 1.244) 25.245 5.976 ( 17.759 0.272 -1.973) 17.870 6.233 ( 31.982 -2.621 -12.795) 34.546 6.806 ( -0.755 -15.435 -0.674) 15.468 7.691 ( -9.404 9.356 -21.451) 25.222 8.061 ( 10.701 2.992 5.580) 12.434 8.956 ( -4.452 7.958 -5.937) 10.881 9.086 ( -0.346 -12.504 10.053) 16.048 9.796 ( -21.509 16.254 6.296) 27.685 10.493 ( 0.749 -2.332 -3.245) 4.066 10.741 ( 8.126 -6.102 0.986) 10.209 11.229 ( -12.391 -8.047 7.544) 16.589 11.278 ( -0.013 -4.248 0.984) 4.361 11.856 ( 0.940 10.541 5.000) 11.704 12.480 ( -7.739 -10.403 -2.184) 13.149 17.339 ( 3.862 -2.813 0.383) 4.793 17.881 ( -12.406 -2.097 -0.437) 12.590 18.483 ( 15.136 -1.731 -3.459) 15.622 18.997 ( -5.971 4.420 -2.129) 7.728 20.492 ( -0.819 -1.919 2.435) 3.206 20.581 ( -3.229 -5.030 0.911) 6.046 27.467 ( 1.627 1.625 0.295) 2.318 27.601 ( -0.918 0.898 -1.052) 1.660 36.681 ( 2.509 2.568 0.780) 3.674 36.736 ( 1.739 1.935 -2.231) 3.427 37.911 ( 27.907 3.876 5.107) 28.634 39.089 ( -20.924 0.688 -9.422) 22.958 ======================= Grid point 60 (42/231) ======================= q-point: ( 0.62 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.155 ( 2.475 -9.787 -4.836) 11.193 4.585 ( 0.791 1.184 0.732) 1.601 5.215 ( -30.075 1.219 0.054) 30.100 5.334 ( 18.927 9.234 17.800) 27.574 5.998 ( 2.768 -9.052 -9.166) 13.176 6.617 ( -0.826 -3.455 -0.480) 3.584 7.040 ( 50.917 -0.987 -4.682) 51.142 7.511 ( -7.497 8.165 -14.067) 17.910 8.241 ( 3.899 -0.146 4.646) 6.067 8.883 ( -7.846 1.887 2.722) 8.516 9.055 ( -3.743 0.755 1.882) 4.257 9.539 ( -18.521 2.963 2.488) 18.921 10.458 ( 0.240 -2.744 -2.197) 3.523 10.784 ( 6.526 -8.599 0.909) 10.833 11.031 ( -11.209 1.841 2.244) 11.578 11.222 ( -4.895 -2.852 1.891) 5.972 12.036 ( 4.037 10.190 1.556) 11.070 12.293 ( -4.046 -8.211 -0.750) 9.185 17.422 ( 6.583 0.811 0.637) 6.663 17.662 ( -11.333 -1.836 -0.596) 11.496 18.698 ( 13.954 -1.024 -0.749) 14.011 18.918 ( -5.360 1.377 -1.369) 5.701 20.478 ( -0.333 -0.557 0.784) 1.017 20.504 ( -2.952 -1.804 0.298) 3.472 27.520 ( 2.997 1.017 0.254) 3.175 27.574 ( -2.461 0.269 -0.444) 2.515 36.729 ( 0.031 2.044 -0.444) 2.092 36.770 ( 2.612 -0.165 0.027) 2.617 38.427 ( 28.687 2.738 3.375) 29.014 38.683 ( -23.541 -1.225 -4.980) 24.093 ======================= Grid point 61 (43/231) ======================= q-point: (-0.31 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.011 ( -8.635 0.000 0.000) 8.635 4.641 ( -17.634 0.000 0.000) 17.634 4.788 ( -2.062 0.000 0.000) 2.062 5.839 ( 25.795 -0.000 -0.000) 25.795 5.888 ( -0.796 0.000 0.000) 0.796 6.569 ( -1.616 0.000 0.000) 1.616 7.341 ( -7.104 0.000 0.000) 7.104 7.828 ( 30.318 -0.000 -0.000) 30.318 8.249 ( -2.631 0.000 0.000) 2.631 8.799 ( -4.791 0.000 0.000) 4.791 8.967 ( -0.482 0.000 0.000) 0.482 9.409 ( -3.075 0.000 0.000) 3.075 10.444 ( 0.540 -0.000 -0.000) 0.540 10.793 ( -2.883 0.000 0.000) 2.883 10.850 ( -12.166 0.000 0.000) 12.166 11.154 ( 0.653 -0.000 -0.000) 0.653 12.174 ( -5.753 0.000 0.000) 5.753 12.178 ( 7.222 -0.000 -0.000) 7.222 17.501 ( -6.185 0.000 0.000) 6.185 17.548 ( 7.346 -0.000 -0.000) 7.346 18.852 ( -2.917 0.000 0.000) 2.917 18.889 ( 9.904 -0.000 -0.000) 9.904 20.447 ( -3.265 0.000 0.000) 3.265 20.485 ( 1.509 -0.000 -0.000) 1.509 27.526 ( -3.326 0.000 0.000) 3.326 27.577 ( 3.124 -0.000 -0.000) 3.124 36.717 ( -2.220 0.000 0.000) 2.220 36.808 ( 1.765 -0.000 -0.000) 1.765 38.262 ( -24.872 0.000 0.000) 24.872 38.920 ( 28.355 -0.000 -0.000) 28.355 ======================= Grid point 70 (44/231) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.013 ( -0.000 -22.899 -10.258) 25.092 4.096 ( 0.000 10.571 2.670) 10.903 4.758 ( 0.000 -3.127 1.435) 3.441 5.078 ( -0.000 0.994 -1.724) 1.990 6.090 ( -0.000 -6.973 -5.365) 8.798 6.621 ( 0.000 0.434 8.049) 8.061 6.657 ( 0.000 27.358 4.538) 27.732 7.360 ( -0.000 -7.655 -0.381) 7.664 8.495 ( -0.000 -3.733 -14.836) 15.299 8.575 ( -0.000 -9.272 -5.681) 10.874 9.282 ( 0.000 1.658 -0.020) 1.658 10.012 ( 0.000 40.937 25.216) 48.080 10.361 ( 0.000 0.546 4.561) 4.594 10.456 ( 0.000 4.431 4.313) 6.183 11.222 ( -0.000 -2.413 -4.267) 4.902 11.293 ( 0.000 0.522 5.559) 5.584 12.165 ( -0.000 -15.723 -7.369) 17.364 13.254 ( -0.000 -33.580 1.782) 33.627 17.378 ( -0.000 -7.634 -4.297) 8.760 17.986 ( -0.000 -4.175 -2.504) 4.868 18.262 ( -0.000 0.065 -2.625) 2.626 19.100 ( 0.000 11.793 -0.977) 11.833 20.524 ( 0.000 -4.936 5.791) 7.610 20.757 ( 0.000 -10.834 2.389) 11.095 27.474 ( 0.000 2.373 0.713) 2.478 27.552 ( -0.000 1.151 -1.989) 2.298 36.606 ( 0.000 7.170 -0.369) 7.179 36.668 ( -0.000 3.652 -2.717) 4.552 36.972 ( 0.000 3.840 2.936) 4.834 39.680 ( -0.000 5.724 -13.312) 14.491 ======================= Grid point 71 (45/231) ======================= q-point: ( 0.46 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.742 ( 4.327 -21.073 -8.602) 23.168 4.312 ( 15.975 7.421 -1.502) 17.678 4.892 ( 13.415 -0.724 2.306) 13.631 5.076 ( -1.044 0.614 3.494) 3.698 5.996 ( -0.599 -6.060 -6.095) 8.615 6.469 ( -18.293 8.811 5.693) 21.088 6.881 ( -2.186 -2.106 1.997) 3.634 7.502 ( 15.140 11.889 5.140) 19.924 8.154 ( -14.356 -5.708 -13.453) 20.486 8.676 ( 15.231 -10.263 -5.923) 19.298 9.269 ( -4.901 2.717 0.688) 5.646 10.293 ( -8.020 14.879 12.041) 20.753 10.488 ( 1.594 11.515 4.092) 12.324 10.534 ( 2.798 2.601 3.757) 5.358 11.178 ( -0.269 -1.052 -0.312) 1.130 11.417 ( 2.439 8.779 5.639) 10.716 11.978 ( -3.796 -9.048 -2.886) 10.228 12.835 ( -10.694 -29.869 -2.150) 31.798 17.288 ( -0.630 -5.641 -2.292) 6.121 18.028 ( 9.847 -3.543 -0.845) 10.499 18.204 ( -5.471 0.262 -3.063) 6.276 19.168 ( -3.318 8.556 -0.957) 9.227 20.508 ( -0.190 -3.000 3.429) 4.560 20.662 ( -1.504 -8.150 1.474) 8.418 27.474 ( -1.811 1.487 0.213) 2.353 27.578 ( 2.046 1.011 -1.138) 2.549 36.641 ( -1.244 3.265 1.467) 3.789 36.693 ( 0.813 3.573 -3.606) 5.141 37.158 ( 15.913 3.202 2.750) 16.463 39.595 ( -8.793 3.305 -8.796) 12.869 ======================= Grid point 72 (46/231) ======================= q-point: ( 0.54 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.721 ( 14.427 -11.084 -3.169) 18.467 4.697 ( 18.971 9.974 0.702) 21.444 4.943 ( -8.266 -1.694 5.269) 9.948 5.352 ( 36.921 -2.107 0.377) 36.983 5.885 ( -4.491 -3.872 -5.668) 8.203 6.246 ( -20.790 6.086 3.063) 21.878 6.752 ( -5.303 -6.716 0.354) 8.565 7.820 ( -8.686 5.139 -11.795) 15.524 7.931 ( 12.198 2.693 4.982) 13.449 8.802 ( 13.627 -6.799 -2.491) 15.431 9.178 ( -8.768 0.937 1.310) 8.915 10.318 ( -12.480 11.901 9.817) 19.843 10.486 ( -6.194 2.465 -6.575) 9.364 10.604 ( 2.789 -3.512 1.371) 4.690 11.202 ( 2.747 -0.318 1.913) 3.362 11.366 ( -10.335 -6.813 1.115) 12.429 12.007 ( 1.330 15.115 7.329) 16.851 12.442 ( -6.128 -19.772 -5.388) 21.389 17.255 ( 2.553 -2.609 -0.369) 3.669 18.057 ( -10.444 -1.256 1.035) 10.570 18.207 ( 14.617 -0.742 -3.341) 15.012 19.137 ( -6.797 3.723 -0.792) 7.790 20.496 ( -0.403 -1.285 1.444) 1.974 20.584 ( -1.891 -3.706 0.614) 4.205 27.467 ( -0.182 0.736 0.082) 0.763 27.605 ( 0.745 0.570 -0.544) 1.084 36.668 ( 1.340 1.233 1.063) 2.108 36.720 ( 1.129 1.705 -2.068) 2.908 37.527 ( 24.410 1.864 2.010) 24.563 39.373 ( -16.760 1.108 -4.505) 17.390 ======================= Grid point 73 (47/231) ======================= q-point: (-0.38 -0.62 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.920 ( 15.824 -0.000 -0.000) 15.824 4.739 ( -13.700 0.000 0.000) 13.700 5.087 ( 20.569 -0.000 -0.000) 20.569 5.662 ( -21.332 0.000 0.000) 21.332 5.998 ( -9.973 0.000 0.000) 9.973 6.119 ( 55.055 -0.000 -0.000) 55.055 6.645 ( -3.590 0.000 0.000) 3.590 7.637 ( -8.858 0.000 0.000) 8.858 8.161 ( 8.646 -0.000 -0.000) 8.646 8.970 ( 10.668 -0.000 -0.000) 10.668 9.035 ( -9.307 0.000 0.000) 9.307 10.018 ( -31.451 0.000 0.000) 31.451 10.438 ( 0.465 -0.000 -0.000) 0.465 10.639 ( 5.349 -0.000 -0.000) 5.349 11.191 ( -7.440 0.000 0.000) 7.440 11.243 ( 0.883 -0.000 -0.000) 0.883 12.145 ( -5.520 0.000 0.000) 5.520 12.238 ( 1.442 -0.000 -0.000) 1.442 17.316 ( 6.091 -0.000 -0.000) 6.091 17.857 ( -13.102 0.000 0.000) 13.102 18.446 ( 15.784 -0.000 -0.000) 15.784 19.030 ( -7.556 0.000 0.000) 7.556 20.486 ( -0.600 0.000 0.000) 0.600 20.536 ( -2.240 0.000 0.000) 2.240 27.484 ( 1.847 -0.000 -0.000) 1.847 27.604 ( -1.063 0.000 0.000) 1.063 36.715 ( 3.182 -0.000 -0.000) 3.182 36.737 ( 0.647 -0.000 -0.000) 0.647 37.975 ( 28.630 -0.000 -0.000) 28.630 39.047 ( -22.234 0.000 0.000) 22.234 ======================= Grid point 85 (48/231) ======================= q-point: ( 0.46 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.474 ( -0.000 -14.493 -8.930) 17.023 4.148 ( -0.000 0.564 -3.887) 3.928 4.841 ( 0.000 2.225 6.661) 7.023 5.123 ( 0.000 0.870 1.527) 1.757 5.933 ( -0.000 -3.450 -3.655) 5.026 6.619 ( 0.000 -3.716 1.774) 4.117 7.088 ( 0.000 12.043 3.850) 12.643 7.420 ( 0.000 5.944 4.556) 7.489 8.273 ( -0.000 -4.709 -7.866) 9.168 8.322 ( -0.000 -8.240 -4.722) 9.497 9.339 ( 0.000 2.308 0.022) 2.309 10.368 ( 0.000 -1.675 1.363) 2.160 10.567 ( 0.000 3.731 3.551) 5.151 10.673 ( 0.000 7.985 4.943) 9.392 11.185 ( -0.000 0.493 -1.134) 1.237 11.636 ( 0.000 28.057 10.772) 30.054 11.912 ( -0.000 -5.455 -2.934) 6.194 12.576 ( -0.000 -34.372 -5.962) 34.885 17.247 ( -0.000 -2.853 -1.636) 3.289 17.911 ( -0.000 -1.746 -0.837) 1.937 18.243 ( -0.000 -0.068 -0.898) 0.900 19.261 ( 0.000 5.205 -0.405) 5.221 20.501 ( 0.000 -1.523 1.698) 2.280 20.616 ( 0.000 -4.950 0.789) 5.013 27.513 ( 0.000 0.979 0.284) 1.019 27.551 ( -0.000 0.311 -0.759) 0.820 36.695 ( 0.000 -2.159 7.740) 8.035 36.699 ( -0.000 6.074 -8.734) 10.638 37.045 ( 0.000 1.479 1.186) 1.896 39.660 ( -0.000 1.772 -4.328) 4.677 ======================= Grid point 86 (49/231) ======================= q-point: (-0.46 -0.54 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.457 ( 9.139 -0.000 -0.000) 9.139 4.338 ( 22.660 -0.000 -0.000) 22.660 4.962 ( 12.376 -0.000 -0.000) 12.376 5.086 ( -5.549 0.000 0.000) 5.549 5.894 ( -1.549 0.000 0.000) 1.549 6.545 ( -8.716 0.000 0.000) 8.716 6.915 ( -17.914 0.000 0.000) 17.914 7.700 ( 18.632 -0.000 -0.000) 18.632 8.004 ( -13.946 0.000 0.000) 13.946 8.509 ( 16.130 -0.000 -0.000) 16.130 9.306 ( -5.325 0.000 0.000) 5.325 10.379 ( 1.876 -0.000 -0.000) 1.876 10.587 ( -0.665 0.000 0.000) 0.665 10.678 ( -5.801 0.000 0.000) 5.801 11.188 ( 0.611 -0.000 -0.000) 0.611 11.582 ( -18.835 0.000 0.000) 18.835 12.081 ( 9.565 -0.000 -0.000) 9.565 12.313 ( -2.586 0.000 0.000) 2.586 17.222 ( -0.212 0.000 0.000) 0.212 17.988 ( 10.060 -0.000 -0.000) 10.060 18.191 ( -5.999 0.000 0.000) 5.999 19.249 ( -4.322 0.000 0.000) 4.322 20.498 ( -0.129 0.000 0.000) 0.129 20.588 ( -0.843 0.000 0.000) 0.843 27.489 ( -1.968 0.000 0.000) 1.968 27.582 ( 2.210 -0.000 -0.000) 2.210 36.681 ( -1.819 0.000 0.000) 1.819 36.708 ( 0.704 -0.000 -0.000) 0.704 37.203 ( 16.472 -0.000 -0.000) 16.472 39.581 ( -9.229 0.000 0.000) 9.229 ======================= Grid point 187 (50/231) ======================= q-point: ( 0.08 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.722 ( 0.000 -0.000 47.374) 47.374 0.722 ( 0.000 -0.000 47.374) 47.374 1.159 ( 0.000 -0.000 76.077) 76.077 5.256 ( 0.000 -0.000 4.031) 4.031 5.256 ( 0.000 -0.000 4.031) 4.031 7.133 ( -0.000 0.000 -7.475) 7.475 7.133 ( -0.000 0.000 -7.475) 7.475 7.731 ( 0.000 -0.000 6.086) 6.086 8.069 ( 0.000 -0.000 3.341) 3.341 8.069 ( 0.000 -0.000 3.341) 3.341 8.998 ( -0.000 0.000 -4.922) 4.922 10.006 ( 0.000 -0.000 2.088) 2.088 10.006 ( 0.000 -0.000 2.088) 2.088 11.044 ( -0.000 0.000 -10.578) 10.578 11.550 ( -0.000 0.000 -2.351) 2.351 11.550 ( -0.000 0.000 -2.351) 2.351 14.171 ( 0.000 -0.000 0.620) 0.620 14.344 ( -0.000 0.000 -1.176) 1.176 18.139 ( 0.000 -0.000 0.423) 0.423 18.139 ( 0.000 -0.000 0.423) 0.423 18.312 ( -0.000 0.000 -0.252) 0.252 18.312 ( 0.000 0.000 -0.252) 0.252 21.253 ( 0.000 -0.000 4.898) 4.898 23.228 ( -0.000 0.000 -3.057) 3.057 27.352 ( 0.000 -0.000 0.134) 0.134 27.389 ( 0.000 -0.000 0.014) 0.014 35.883 ( 0.000 -0.000 1.300) 1.300 35.883 ( 0.000 -0.000 1.300) 1.300 36.552 ( -0.000 0.000 -1.315) 1.315 36.552 ( -0.000 0.000 -1.315) 1.315 ======================= Grid point 188 (51/231) ======================= q-point: ( 0.15 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.206 ( 29.151 16.830 26.582) 42.892 1.295 ( 19.099 11.027 41.559) 47.048 2.420 ( 65.226 37.659 45.936) 88.220 5.154 ( -6.141 -3.546 -0.020) 7.092 5.562 ( 15.703 9.066 -1.477) 18.192 7.027 ( -1.512 -0.873 -10.375) 10.521 7.100 ( -9.472 -5.469 6.173) 12.559 7.307 ( -11.906 -6.874 20.163) 24.404 8.094 ( 4.001 2.310 -0.106) 4.622 8.213 ( 4.922 2.842 5.603) 7.981 8.963 ( -0.369 -0.213 -7.016) 7.029 10.109 ( 4.202 2.426 7.117) 8.614 10.236 ( 13.949 8.054 -4.252) 16.659 10.803 ( -15.104 -8.720 -9.032) 19.641 11.500 ( -3.967 -2.290 -2.291) 5.121 11.549 ( 1.164 0.672 -5.117) 5.290 14.051 ( -11.024 -6.365 -0.092) 12.730 14.303 ( -14.361 -8.291 -9.091) 18.911 18.166 ( 1.169 0.675 1.522) 2.034 18.219 ( 3.683 2.126 -11.111) 11.897 18.310 ( 3.403 1.965 -3.749) 5.431 18.354 ( 2.859 1.651 0.326) 3.318 21.252 ( -2.779 -1.604 5.949) 6.759 21.555 ( -69.762 -40.277 69.950) 106.686 27.349 ( -0.377 -0.218 0.080) 0.443 27.401 ( 1.809 1.044 -0.813) 2.242 36.002 ( 7.792 4.499 3.662) 9.714 36.523 ( -0.445 -0.257 -3.125) 3.167 36.606 ( 4.400 2.541 0.577) 5.114 38.391 ( 106.714 61.611 -118.232) 170.771 ======================= Grid point 189 (52/231) ======================= q-point: ( 0.23 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.969 ( 26.261 15.162 28.088) 41.334 2.029 ( 36.299 20.957 12.762) 43.814 4.035 ( 64.297 37.122 29.779) 79.994 5.036 ( -3.179 -1.836 -1.644) 4.023 5.845 ( 10.500 6.062 1.485) 12.215 6.909 ( -5.976 -3.450 -10.399) 12.480 6.981 ( -5.772 -3.332 15.089) 16.495 7.270 ( -0.425 -0.246 6.773) 6.791 8.266 ( 11.792 6.808 0.666) 13.633 8.323 ( 3.768 2.176 0.666) 4.402 8.905 ( -1.334 -0.770 -10.782) 10.891 10.213 ( -5.203 -3.004 10.724) 12.292 10.441 ( -9.022 -5.209 2.284) 10.665 10.497 ( 11.109 6.414 0.307) 12.831 11.357 ( -8.453 -4.880 -3.102) 10.241 11.528 ( -0.366 -0.211 -5.891) 5.906 13.709 ( -33.044 -19.078 -8.104) 39.007 13.723 ( -18.126 -10.465 -1.989) 21.024 18.112 ( -6.940 -4.007 -7.060) 10.680 18.172 ( -2.142 -1.236 2.611) 3.596 18.441 ( 9.816 5.668 -10.510) 15.458 18.445 ( 5.736 3.312 -0.812) 6.673 20.902 ( -25.799 -14.895 41.127) 50.782 21.189 ( -5.869 -3.388 5.659) 8.829 27.338 ( -0.562 -0.325 -0.237) 0.691 27.449 ( 2.958 1.708 -1.591) 3.768 36.224 ( 9.833 5.677 4.548) 12.231 36.506 ( 0.671 0.387 -4.246) 4.316 36.769 ( 10.119 5.842 4.739) 12.608 39.277 ( 34.583 19.967 -74.503) 84.530 ======================= Grid point 190 (53/231) ======================= q-point: ( 0.31 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.686 ( 28.877 16.672 19.732) 38.745 2.859 ( 36.041 20.808 5.100) 41.928 5.051 ( 5.757 3.324 1.216) 6.758 5.359 ( 43.522 25.128 10.204) 51.281 6.072 ( 12.032 6.947 8.811) 16.452 6.622 ( -15.850 -9.151 -11.471) 21.600 6.940 ( -5.431 -3.136 15.903) 17.095 7.402 ( 11.024 6.365 2.411) 12.956 8.387 ( 3.486 2.013 -6.051) 7.268 8.581 ( 15.197 8.774 3.145) 17.828 8.766 ( -5.697 -3.289 -17.178) 18.394 9.899 ( -21.777 -12.573 19.986) 32.121 10.566 ( 7.904 4.563 11.940) 15.029 10.707 ( 7.798 4.502 1.469) 9.123 11.074 ( -16.824 -9.714 -4.280) 19.893 11.492 ( -0.389 -0.224 -3.440) 3.469 12.948 ( -30.203 -17.438 -9.371) 36.113 13.295 ( -19.279 -11.131 -3.515) 22.538 17.893 ( -9.474 -5.470 -6.698) 12.828 18.094 ( -6.253 -3.610 2.332) 7.587 18.577 ( 6.854 3.957 -2.459) 8.288 18.596 ( 8.883 5.128 -8.090) 13.063 20.677 ( -12.304 -7.104 23.932) 27.831 21.058 ( -8.452 -4.879 4.258) 10.648 27.328 ( 0.013 0.007 -0.611) 0.611 27.503 ( 2.661 1.537 -2.000) 3.667 36.436 ( 7.483 4.320 4.466) 9.727 36.511 ( 1.937 1.118 -4.624) 5.136 37.104 ( 17.161 9.908 10.265) 22.317 39.406 ( 9.577 5.530 -50.538) 51.734 ======================= Grid point 191 (54/231) ======================= q-point: ( 0.38 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.406 ( 29.577 17.076 15.849) 37.651 3.612 ( 32.676 18.865 -1.207) 37.750 5.332 ( 18.390 10.617 8.220) 22.770 5.806 ( 5.681 3.280 -5.466) 8.539 6.132 ( -22.444 -12.958 -14.282) 29.591 6.449 ( 5.674 3.276 1.990) 6.847 7.116 ( 18.891 10.907 25.605) 33.637 7.721 ( 16.529 9.543 -0.513) 19.093 8.396 ( -1.253 -0.723 -8.402) 8.526 8.472 ( -11.444 -6.607 -19.462) 23.524 8.826 ( 1.896 1.095 -0.973) 2.396 9.583 ( -18.980 -10.958 29.261) 36.559 10.649 ( -15.652 -9.037 -2.382) 18.230 10.779 ( 5.779 3.336 10.764) 12.665 10.842 ( 4.344 2.508 0.023) 5.016 11.478 ( -0.755 -0.436 0.915) 1.264 12.419 ( -14.163 -8.177 -8.457) 18.411 12.899 ( -15.260 -8.811 -2.896) 17.857 17.662 ( -8.411 -4.856 -6.386) 11.624 17.935 ( -9.012 -5.203 1.485) 10.511 18.701 ( 6.018 3.474 -4.504) 8.281 18.741 ( 7.379 4.260 -3.709) 9.293 20.571 ( -6.909 -3.989 13.815) 15.954 20.880 ( -9.430 -5.444 2.631) 11.202 27.339 ( 1.397 0.806 -0.697) 1.757 27.537 ( 1.371 0.792 -1.871) 2.451 36.540 ( 2.797 1.615 -4.485) 5.527 36.592 ( 4.826 2.787 4.991) 7.481 37.585 ( 21.078 12.169 14.687) 28.427 39.243 ( -2.852 -1.647 -38.763) 38.903 ======================= Grid point 192 (55/231) ======================= q-point: ( 0.46 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.110 ( 27.925 16.122 15.977) 35.986 4.240 ( 27.034 15.608 -6.167) 31.820 5.534 ( -22.445 -12.958 -11.993) 28.557 5.812 ( -2.878 -1.662 -1.010) 3.474 5.942 ( 29.968 17.302 8.665) 35.672 6.395 ( -1.148 -0.663 -13.685) 13.749 7.702 ( 13.911 8.031 19.803) 25.499 8.011 ( -21.153 -12.212 -3.191) 24.633 8.018 ( 7.742 4.470 0.191) 8.942 8.329 ( -2.964 -1.711 -16.164) 16.522 8.546 ( -15.116 -8.727 -10.956) 20.608 9.357 ( -15.918 -9.190 26.545) 32.288 10.609 ( 10.099 5.831 4.694) 12.571 10.895 ( 1.418 0.819 -3.442) 3.811 10.910 ( 2.246 1.297 5.860) 6.408 11.438 ( -4.830 -2.789 5.033) 7.512 12.214 ( -2.469 -1.425 -6.700) 7.281 12.621 ( -10.012 -5.781 -0.352) 11.567 17.489 ( -4.359 -2.516 -5.597) 7.527 17.744 ( -8.788 -5.074 1.420) 10.247 18.783 ( 4.108 2.372 -6.568) 8.102 18.876 ( 5.685 3.282 1.063) 6.650 20.510 ( -3.698 -2.135 7.053) 8.245 20.695 ( -8.349 -4.820 1.459) 9.750 27.382 ( 2.884 1.665 -0.366) 3.351 27.541 ( -0.359 -0.207 -1.202) 1.272 36.580 ( 2.752 1.589 -4.161) 5.235 36.695 ( 2.278 1.315 5.335) 5.948 38.137 ( 22.105 12.762 17.940) 31.198 38.918 ( -10.190 -5.883 -32.116) 34.203 ======================= Grid point 193 (56/231) ======================= q-point: ( 0.54 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.621 ( 3.139 1.812 -7.697) 8.508 4.733 ( 20.172 11.646 17.976) 29.422 5.091 ( -2.369 -1.368 -16.482) 16.708 5.651 ( -13.059 -7.540 8.250) 17.188 6.393 ( 12.420 7.171 -39.788) 42.294 6.670 ( 28.195 16.278 1.453) 32.589 7.344 ( -33.086 -19.102 1.442) 38.232 7.623 ( -12.947 -7.475 18.786) 24.009 8.115 ( -8.871 -5.122 -17.837) 20.569 8.305 ( 12.945 7.474 14.124) 20.565 8.579 ( 12.338 7.123 -4.230) 14.861 9.138 ( -16.006 -9.241 20.960) 27.945 10.864 ( -1.615 -0.933 -7.222) 7.459 10.915 ( -2.969 -1.714 -2.355) 4.159 10.934 ( 14.754 8.518 3.229) 17.340 11.322 ( -9.514 -5.493 9.889) 14.781 12.212 ( 4.615 2.664 -5.422) 7.602 12.449 ( -6.277 -3.624 1.874) 7.487 17.431 ( 1.487 0.858 -4.402) 4.725 17.601 ( -4.927 -2.845 2.863) 6.369 18.813 ( 2.167 1.251 -7.653) 8.052 18.986 ( 2.759 1.593 4.847) 5.800 20.489 ( -0.177 -0.102 2.516) 2.524 20.544 ( -6.100 -3.522 0.489) 7.061 27.453 ( 3.547 2.048 0.222) 4.102 27.512 ( -1.910 -1.103 -0.244) 2.219 36.609 ( 1.642 0.948 -3.875) 4.314 36.744 ( -0.159 -0.092 5.196) 5.199 38.499 ( -14.425 -8.328 -27.376) 32.045 38.704 ( 21.340 12.321 19.881) 31.662 ======================= Grid point 194 (57/231) ======================= q-point: (-0.38 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.254 ( -22.275 -12.860 -10.041) 27.611 4.927 ( -15.240 -8.799 9.354) 19.929 5.310 ( 18.831 10.872 -14.232) 25.987 5.564 ( 6.064 3.501 13.049) 14.809 6.175 ( -16.199 -9.353 -31.104) 36.296 6.815 ( -6.819 -3.937 -8.741) 11.765 7.147 ( 19.405 11.204 -6.130) 23.230 7.676 ( -13.972 -8.067 -7.705) 17.879 8.030 ( 20.187 11.655 21.640) 31.806 8.585 ( 7.817 4.513 8.637) 12.493 8.798 ( 7.664 4.425 0.440) 8.861 8.872 ( -16.557 -9.559 15.208) 24.430 10.756 ( -10.029 -5.790 -5.217) 12.701 10.756 ( -3.756 -2.168 -10.681) 11.528 11.130 ( -11.058 -6.384 7.012) 14.568 11.221 ( 10.355 5.979 1.287) 12.026 12.339 ( 9.333 5.388 -5.049) 11.901 12.397 ( 0.076 0.044 6.677) 6.678 17.504 ( 6.791 3.921 -3.570) 8.615 17.575 ( 0.744 0.430 5.063) 5.136 18.809 ( 1.127 0.651 -7.001) 7.120 19.027 ( -1.835 -1.059 6.262) 6.610 20.433 ( -4.278 -2.470 -0.984) 5.036 20.538 ( 4.143 2.392 0.225) 4.790 27.461 ( -2.701 -1.559 0.661) 3.188 27.528 ( 2.907 1.678 0.779) 3.445 36.606 ( -0.217 -0.125 -3.586) 3.595 36.745 ( -1.978 -1.142 4.882) 5.390 38.035 ( -16.460 -9.503 -23.128) 29.936 39.245 ( 19.288 11.136 20.140) 30.027 ======================= Grid point 195 (58/231) ======================= q-point: (-0.31 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.692 ( -25.713 -14.845 -6.977) 30.499 4.399 ( -31.296 -18.069 2.120) 36.200 5.515 ( -15.334 -8.853 -6.931) 19.015 5.611 ( 15.049 8.688 -13.480) 21.992 6.098 ( 15.976 9.224 12.279) 22.161 6.618 ( -6.250 -3.608 -5.000) 8.779 7.141 ( -27.686 -15.985 -15.387) 35.480 7.739 ( 36.187 20.893 -18.277) 45.608 8.264 ( -20.513 -11.843 20.297) 31.193 8.742 ( 3.992 2.305 5.195) 6.946 8.831 ( 10.256 5.921 5.930) 13.245 8.905 ( 2.254 1.301 2.411) 3.548 10.491 ( -8.930 -5.156 -3.420) 10.864 10.605 ( -5.126 -2.960 -11.239) 12.703 11.006 ( -1.672 -0.965 3.969) 4.414 11.391 ( 5.579 3.221 -0.439) 6.457 12.530 ( 7.675 4.431 14.124) 16.674 12.567 ( 14.263 8.235 -3.950) 16.937 17.665 ( 9.289 5.363 -3.735) 11.358 17.677 ( 5.708 3.295 6.689) 9.390 18.797 ( 0.702 0.406 -5.185) 5.248 18.967 ( -6.267 -3.618 5.230) 8.929 20.340 ( -3.625 -2.093 -2.966) 5.130 20.665 ( 7.357 4.247 -0.242) 8.498 27.409 ( -2.500 -1.443 1.205) 3.128 27.578 ( 1.157 0.668 1.042) 1.695 36.562 ( -2.279 -1.316 -3.058) 4.034 36.715 ( -2.854 -1.648 4.615) 5.671 37.568 ( -16.835 -9.720 -18.953) 27.150 39.728 ( 16.324 9.425 18.511) 26.419 ======================= Grid point 196 (59/231) ======================= q-point: (-0.23 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.079 ( -29.310 -16.922 -1.346) 33.871 3.683 ( -35.987 -20.777 3.398) 41.693 5.221 ( -9.335 -5.390 2.085) 10.979 5.805 ( 7.986 4.611 -12.129) 15.236 6.306 ( -42.070 -24.289 -15.594) 51.020 6.514 ( -2.450 -1.415 -3.727) 4.679 6.566 ( 19.473 11.243 11.580) 25.292 7.759 ( -27.688 -15.986 8.814) 33.164 8.305 ( 17.797 10.275 -18.986) 27.978 8.871 ( 9.026 5.211 -9.272) 13.949 8.884 ( -7.655 -4.420 2.059) 9.076 9.009 ( 10.173 5.873 14.582) 18.725 10.402 ( 1.030 0.595 -9.260) 9.336 10.419 ( -6.798 -3.925 -10.838) 13.382 11.112 ( 7.644 4.413 7.857) 11.816 11.484 ( 3.891 2.246 -0.204) 4.497 12.898 ( 18.483 10.671 22.409) 30.947 12.911 ( 18.799 10.854 -2.525) 21.854 17.843 ( 8.747 5.050 -4.424) 11.027 17.872 ( 8.655 4.997 7.223) 12.331 18.782 ( -0.127 -0.073 -3.998) 4.001 18.823 ( -8.794 -5.077 3.160) 10.635 20.242 ( -3.780 -2.182 -4.267) 6.104 20.834 ( 8.003 4.621 -0.055) 9.242 27.370 ( -1.619 -0.935 1.227) 2.236 27.584 ( -1.040 -0.600 0.865) 1.480 36.476 ( -4.637 -2.677 -2.418) 5.874 36.675 ( -2.865 -1.654 4.316) 5.438 37.134 ( -15.102 -8.719 -14.640) 22.769 40.128 ( 12.935 7.468 14.546) 20.849 ======================= Grid point 197 (60/231) ======================= q-point: (-0.15 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.419 ( -32.993 -19.048 6.052) 38.574 2.891 ( -40.221 -23.222 7.974) 47.123 5.039 ( -63.168 -36.470 -11.499) 73.841 5.132 ( -1.800 -1.039 7.405) 7.691 5.914 ( 2.095 1.210 -11.692) 11.939 6.477 ( 0.584 0.337 -4.142) 4.196 7.002 ( 14.855 8.576 11.042) 20.399 7.295 ( -16.140 -9.319 1.691) 18.714 8.292 ( -5.738 -3.313 -13.751) 15.264 8.660 ( -12.700 -7.332 5.171) 15.549 8.946 ( 3.768 2.175 -7.174) 8.390 9.580 ( 29.610 17.096 4.334) 34.465 10.236 ( -3.862 -2.230 -8.668) 9.748 10.354 ( -1.014 -0.585 -10.683) 10.747 11.321 ( 7.400 4.273 4.241) 9.540 11.567 ( 3.613 2.086 0.584) 4.213 13.328 ( 20.334 11.740 -1.793) 23.548 13.531 ( 27.230 15.721 26.204) 40.930 17.987 ( 6.606 3.814 -4.501) 8.857 18.101 ( 8.789 5.075 6.556) 12.082 18.636 ( -9.252 -5.342 1.144) 10.745 18.741 ( -1.525 -0.880 -6.113) 6.362 20.142 ( -3.827 -2.210 -1.147) 4.566 20.995 ( 6.688 3.861 0.398) 7.733 27.351 ( -0.666 -0.385 0.823) 1.126 27.544 ( -2.818 -1.627 0.308) 3.268 36.325 ( -8.441 -4.873 -2.899) 10.169 36.638 ( -2.384 -1.376 3.706) 4.616 36.800 ( -9.569 -5.524 -9.262) 14.417 40.423 ( 9.426 5.442 5.534) 12.210 ======================= Grid point 198 (61/231) ======================= q-point: (-0.08 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.731 ( -35.714 -20.619 16.298) 44.343 2.042 ( -43.451 -25.087 14.506) 52.228 3.479 ( -75.829 -43.780 -5.474) 87.731 5.182 ( 1.668 0.963 8.944) 9.149 5.814 ( -4.631 -2.674 -16.855) 17.683 6.524 ( 3.585 2.070 9.122) 10.017 7.096 ( -3.047 -1.759 -2.572) 4.358 7.282 ( 4.744 2.739 12.217) 13.389 8.062 ( -6.145 -3.548 -16.179) 17.667 8.428 ( -11.566 -6.678 7.536) 15.335 8.985 ( 2.657 1.534 -4.649) 5.570 9.956 ( 2.492 1.439 -4.484) 5.328 10.268 ( -2.453 -1.416 -5.805) 6.459 10.405 ( 23.536 13.589 -1.133) 27.201 11.460 ( 4.649 2.684 0.106) 5.369 11.628 ( 1.350 0.779 0.024) 1.559 13.738 ( 17.792 10.272 -1.196) 20.579 14.234 ( 24.458 14.121 20.474) 34.882 18.082 ( 4.096 2.365 -3.211) 5.717 18.283 ( 4.722 2.726 4.087) 6.814 18.452 ( -7.537 -4.351 -0.413) 8.712 18.646 ( -2.364 -1.365 -16.214) 16.442 20.117 ( -0.191 -0.111 19.586) 19.587 21.121 ( 4.580 2.644 1.421) 5.476 27.347 ( -0.059 -0.034 0.339) 0.346 27.475 ( -3.336 -1.926 -0.345) 3.868 36.102 ( -9.630 -5.560 -3.319) 11.605 36.609 ( -1.846 -1.066 2.515) 3.297 36.629 ( -3.868 -2.233 -4.386) 6.260 40.541 ( 2.652 1.531 -22.672) 22.878 ======================= Grid point 201 (62/231) ======================= q-point: ( 0.15 0.15 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.513 ( 0.000 37.778 29.555) 47.965 1.722 ( 0.000 38.086 38.515) 54.166 2.447 ( 0.000 50.466 54.919) 74.585 5.323 ( -0.000 5.655 -8.398) 10.125 5.393 ( 0.000 2.507 9.912) 10.224 6.885 ( -0.000 -10.292 -7.327) 12.634 7.257 ( -0.000 15.375 -7.293) 17.017 7.456 ( 0.000 -19.154 27.884) 33.829 7.885 ( -0.000 -14.074 -2.886) 14.366 8.331 ( 0.000 11.604 4.270) 12.365 8.907 ( -0.000 -2.875 -9.400) 9.830 9.952 ( 0.000 -2.857 1.941) 3.454 10.248 ( 0.000 7.537 5.987) 9.626 10.745 ( -0.000 -16.195 -12.142) 20.241 11.471 ( -0.000 -2.770 -4.341) 5.150 11.564 ( -0.000 2.439 -4.750) 5.339 14.046 ( -0.000 -13.788 -0.333) 13.792 14.493 ( -0.000 10.423 -9.707) 14.243 18.118 ( -0.000 -3.110 -0.577) 3.163 18.158 ( -0.000 1.431 -6.046) 6.213 18.309 ( -0.000 3.278 -1.489) 3.600 18.366 ( 0.000 2.452 0.395) 2.483 21.287 ( 0.000 -3.286 7.360) 8.060 21.861 ( 0.000 -80.090 53.007) 96.042 27.352 ( 0.000 -0.122 0.198) 0.233 27.397 ( -0.000 1.812 -0.783) 1.974 35.911 ( 0.000 4.199 -0.069) 4.200 36.520 ( -0.000 0.482 -3.117) 3.154 36.584 ( -0.000 3.138 -0.474) 3.174 37.956 ( -0.000 123.837 -87.536) 151.652 ======================= Grid point 202 (63/231) ======================= q-point: ( 0.23 0.15 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.086 ( 3.572 26.831 36.517) 45.455 2.146 ( 2.474 46.622 21.490) 51.396 3.680 ( 47.895 47.851 37.662) 77.473 5.125 ( -11.006 -0.089 -3.030) 11.416 5.694 ( 16.208 4.024 2.785) 16.931 6.770 ( 1.418 -11.046 -4.493) 12.009 7.224 ( -13.652 4.466 3.355) 14.750 7.412 ( -4.789 4.820 9.199) 11.436 7.926 ( 18.070 -12.833 2.682) 22.325 8.447 ( -0.395 11.723 -0.163) 11.731 8.824 ( 0.749 -4.559 -12.539) 13.364 10.083 ( 13.768 -4.793 4.714) 15.322 10.371 ( 2.492 -1.961 4.768) 5.726 10.476 ( -3.122 -12.488 -3.955) 13.467 11.425 ( -0.954 -1.622 -3.856) 4.291 11.520 ( -3.319 0.964 -5.995) 6.920 13.803 ( -9.748 -18.905 -2.136) 21.377 14.187 ( -35.787 -1.655 -4.463) 36.102 18.094 ( -0.878 -6.673 -2.475) 7.171 18.193 ( 7.724 2.666 -8.084) 11.494 18.279 ( -3.473 0.509 -0.715) 3.582 18.443 ( 4.117 5.923 -0.851) 7.263 21.259 ( -3.451 -5.265 7.437) 9.743 21.283 ( -21.213 -38.890 40.778) 60.210 27.347 ( -0.659 0.043 0.089) 0.666 27.427 ( 1.558 2.788 -1.525) 3.539 36.091 ( 12.880 4.127 1.533) 13.611 36.499 ( -0.970 1.675 -4.001) 4.444 36.683 ( 7.708 4.393 1.972) 9.088 38.730 ( 25.068 60.851 -72.602) 97.991 ======================= Grid point 203 (64/231) ======================= q-point: ( 0.31 0.15 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.570 ( 11.251 22.271 28.404) 37.806 2.840 ( 16.596 41.854 12.280) 46.669 4.888 ( 20.212 10.099 11.014) 25.136 5.114 ( 23.342 22.527 9.010) 33.667 5.980 ( 12.805 5.222 4.741) 14.619 6.647 ( -3.654 -10.834 -5.329) 12.614 7.041 ( -7.162 -5.868 3.024) 9.740 7.448 ( -3.671 10.952 3.116) 11.964 8.177 ( 16.378 -3.489 8.267) 18.675 8.546 ( 3.254 8.780 -6.883) 11.621 8.708 ( -1.537 -2.797 -16.264) 16.574 10.093 ( -9.729 -16.901 10.588) 22.190 10.336 ( 15.335 -8.686 5.076) 18.341 10.600 ( 9.201 1.550 4.649) 10.425 11.331 ( -10.950 3.073 -2.821) 11.717 11.463 ( 0.861 -0.417 -4.492) 4.592 13.353 ( -30.156 -18.468 -3.905) 35.576 13.461 ( -30.610 -11.252 -2.165) 32.684 17.936 ( -6.911 -7.706 -5.030) 11.508 18.184 ( -6.461 -1.020 2.476) 6.994 18.362 ( 12.912 0.828 -9.072) 15.802 18.574 ( 4.522 8.150 -2.551) 9.664 20.914 ( -13.959 -18.268 26.488) 35.074 21.154 ( -6.720 -6.817 5.888) 11.238 27.336 ( -0.821 0.508 -0.186) 0.983 27.476 ( 2.053 2.944 -2.115) 4.166 36.342 ( 11.042 3.478 2.758) 11.901 36.492 ( 0.397 3.035 -4.573) 5.503 36.951 ( 16.366 7.026 6.946) 19.117 39.096 ( 11.132 26.762 -53.820) 61.129 ======================= Grid point 204 (65/231) ======================= q-point: ( 0.38 0.15 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.143 ( 21.859 17.310 17.586) 32.965 3.546 ( 17.951 37.852 7.553) 42.568 5.062 ( 15.422 -4.996 5.176) 17.017 5.760 ( 12.271 12.472 -1.802) 17.589 6.201 ( -7.152 -12.432 -4.100) 14.917 6.462 ( 2.966 8.748 0.924) 9.283 7.047 ( 12.280 0.433 11.855) 17.074 7.557 ( 7.205 5.496 -0.401) 9.071 8.379 ( 2.323 8.732 -1.946) 9.243 8.472 ( -5.336 -6.893 -15.749) 18.001 8.732 ( 7.013 1.904 -3.896) 8.245 9.854 ( -10.358 -14.695 21.461) 27.996 10.497 ( 10.248 -7.890 1.504) 13.021 10.769 ( 7.518 -1.464 6.688) 10.169 11.112 ( -19.101 7.139 -0.664) 20.402 11.482 ( 1.414 0.912 0.013) 1.683 12.606 ( -29.861 -14.589 -2.977) 33.368 13.012 ( -14.322 -13.609 -3.706) 20.101 17.712 ( -8.204 -7.044 -5.202) 11.999 18.047 ( -8.946 -3.363 1.126) 9.624 18.535 ( 11.635 1.122 -5.896) 13.092 18.703 ( 4.221 7.581 -3.901) 9.513 20.716 ( -8.707 -9.866 16.350) 20.988 20.983 ( -8.706 -7.488 3.774) 12.087 27.335 ( 0.038 1.427 -0.308) 1.461 27.519 ( 1.455 2.343 -2.210) 3.534 36.494 ( 3.147 2.301 -2.283) 4.518 36.557 ( 5.816 3.887 1.558) 7.166 37.397 ( 22.731 9.173 11.574) 27.107 39.102 ( -1.093 11.112 -41.128) 42.617 ======================= Grid point 205 (66/231) ======================= q-point: ( 0.46 0.15 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.759 ( 27.758 13.685 8.447) 32.080 4.183 ( 16.039 32.645 4.961) 36.709 5.360 ( 23.829 -14.305 8.333) 29.016 5.693 ( -21.476 -18.051 -10.755) 30.045 5.986 ( 7.858 15.639 -4.371) 18.040 6.485 ( -7.411 4.591 -5.920) 10.538 7.525 ( 22.628 3.165 14.592) 27.111 7.728 ( 14.437 -7.982 -7.512) 18.126 8.242 ( -8.840 1.861 -6.822) 11.320 8.421 ( -5.726 14.366 -9.324) 18.059 8.617 ( -14.050 -14.308 -3.621) 20.377 9.692 ( -13.026 -8.188 23.206) 27.843 10.577 ( 4.937 4.004 3.676) 7.343 10.831 ( 0.402 -4.085 2.049) 4.588 10.977 ( -4.709 5.394 4.187) 8.295 11.489 ( -1.570 -2.201 3.496) 4.419 12.183 ( -6.423 -10.991 -3.985) 13.339 12.704 ( -9.399 -8.560 -1.645) 12.818 17.515 ( -5.893 -4.265 -4.716) 8.669 17.857 ( -9.979 -4.237 0.365) 10.847 18.686 ( 7.747 2.083 -4.285) 9.095 18.815 ( 5.192 4.660 -3.060) 7.618 20.595 ( -5.688 -5.683 9.340) 12.324 20.788 ( -8.577 -6.769 2.038) 11.114 27.365 ( 1.542 2.508 -0.097) 2.946 27.540 ( 0.182 1.279 -1.711) 2.144 36.544 ( 2.149 3.375 -3.709) 5.455 36.686 ( 4.193 1.875 4.245) 6.255 37.944 ( 25.152 9.677 14.741) 30.718 38.887 ( -9.418 2.822 -33.078) 34.508 ======================= Grid point 206 (67/231) ======================= q-point: ( 0.54 0.15 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.347 ( 27.298 10.158 -0.723) 29.136 4.704 ( 10.914 20.347 8.014) 24.441 5.113 ( -17.325 -16.302 -13.623) 27.414 5.541 ( 10.821 -20.489 9.731) 25.131 6.214 ( 3.260 8.144 -22.629) 24.269 6.544 ( 10.815 22.365 -0.533) 24.848 7.550 ( -14.008 -22.070 -6.156) 26.855 7.714 ( 2.510 -11.734 -2.222) 12.203 8.180 ( -14.159 -3.969 -4.756) 15.455 8.336 ( 2.045 14.730 12.486) 19.418 8.484 ( 5.244 12.788 -5.803) 14.990 9.473 ( -18.521 -7.703 23.201) 30.670 10.794 ( 1.372 -2.356 -3.428) 4.380 10.801 ( 9.272 2.859 2.331) 9.979 10.975 ( -2.177 3.544 1.428) 4.397 11.424 ( -4.581 -7.294 7.940) 11.714 12.095 ( 5.385 -4.649 -4.413) 8.372 12.509 ( -6.600 -5.970 0.344) 8.906 17.411 ( -1.363 -0.210 -4.095) 4.321 17.680 ( -7.102 -3.423 1.508) 8.027 18.761 ( 2.245 3.050 -6.664) 7.665 18.939 ( 6.779 1.018 1.888) 7.110 20.520 ( -2.834 -2.678 4.348) 5.840 20.614 ( -6.882 -5.042 0.958) 8.585 27.428 ( 2.717 3.166 0.299) 4.182 27.531 ( -1.276 0.148 -0.769) 1.497 36.586 ( 1.313 3.208 -3.426) 4.874 36.765 ( 1.396 0.514 4.665) 4.896 38.482 ( 8.801 2.329 -5.107) 10.439 38.578 ( 1.797 4.843 -5.876) 7.824 ======================= Grid point 207 (68/231) ======================= q-point: (-0.38 0.15 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.460 ( -22.062 -10.112 -6.551) 25.138 4.818 ( 22.350 -8.819 -16.193) 28.974 5.046 ( -0.475 -3.080 9.814) 10.297 5.567 ( 8.190 -5.850 16.949) 19.712 6.219 ( -1.513 24.837 -43.245) 49.893 6.782 ( 2.232 -0.060 -9.757) 10.009 7.016 ( -10.378 -18.870 -0.438) 21.540 7.875 ( -18.260 1.405 -6.280) 19.360 7.949 ( 20.247 14.019 15.051) 28.862 8.549 ( 5.296 7.703 3.460) 9.968 8.737 ( 9.118 7.066 7.062) 13.525 9.202 ( -20.331 -7.313 21.660) 30.594 10.713 ( -1.307 -4.929 -8.839) 10.204 10.801 ( -4.359 -4.465 -4.644) 7.778 11.106 ( 4.228 2.070 2.249) 5.217 11.289 ( -5.653 -6.451 8.774) 12.270 12.169 ( 8.890 -1.492 -5.830) 10.736 12.405 ( -0.301 -3.491 3.758) 5.138 17.422 ( 3.679 2.191 -3.998) 5.858 17.607 ( -1.116 -0.207 4.251) 4.400 18.769 ( 0.616 2.345 -7.340) 7.730 19.042 ( 3.046 -0.980 4.787) 5.758 20.481 ( -5.123 -3.350 0.045) 6.121 20.508 ( 1.327 0.191 1.250) 1.833 27.487 ( -1.018 -0.254 -0.173) 1.063 27.515 ( 1.405 2.613 1.063) 3.152 36.604 ( -0.388 2.248 -2.982) 3.754 36.790 ( -1.044 -0.271 4.546) 4.672 38.112 ( -16.800 -4.967 -23.262) 29.121 39.088 ( 23.127 8.306 16.777) 29.755 ======================= Grid point 208 (69/231) ======================= q-point: (-0.31 0.15 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.935 ( -24.730 -13.206 -3.989) 28.317 4.574 ( -12.973 -28.190 -9.340) 32.407 5.128 ( 9.403 -6.712 -2.437) 11.807 5.879 ( 11.832 8.140 15.486) 21.120 6.084 ( -13.231 21.809 -21.929) 33.639 6.643 ( -5.840 -4.522 -7.395) 10.452 7.070 ( 18.776 -7.766 -15.906) 25.804 7.545 ( -11.893 9.553 -10.831) 18.708 8.532 ( 14.103 11.718 18.206) 25.840 8.653 ( -0.593 -7.606 9.542) 12.217 8.831 ( -13.104 -0.018 9.250) 16.040 9.025 ( 0.012 9.462 6.435) 11.443 10.542 ( -8.697 -8.520 -7.975) 14.554 10.655 ( -5.788 0.242 -5.305) 7.855 11.001 ( -1.708 -9.318 3.417) 10.071 11.364 ( 3.745 5.889 1.116) 7.068 12.291 ( 14.502 -5.080 -2.775) 15.615 12.497 ( 8.670 1.263 6.781) 11.079 17.518 ( 8.244 1.541 -3.327) 9.023 17.679 ( 4.021 3.976 5.390) 7.812 18.763 ( 0.636 1.940 -6.353) 6.673 19.050 ( -3.172 -2.380 4.642) 6.106 20.377 ( -4.470 -2.364 -0.813) 5.121 20.585 ( 6.065 2.414 0.194) 6.531 27.442 ( -2.572 -1.297 0.686) 2.961 27.578 ( 1.400 2.488 1.005) 3.027 36.583 ( -2.368 0.770 -2.335) 3.414 36.779 ( -2.687 -0.219 4.291) 5.068 37.672 ( -17.832 -5.949 -18.796) 26.583 39.590 ( 20.438 6.491 14.159) 25.697 ======================= Grid point 209 (70/231) ======================= q-point: (-0.23 0.15 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.372 ( -27.680 -16.085 1.879) 32.069 4.014 ( -23.027 -20.399 -3.040) 30.913 5.107 ( 2.903 -13.811 0.091) 14.113 5.965 ( -10.203 26.008 -11.912) 30.371 6.334 ( 17.992 3.162 4.633) 18.846 6.514 ( -2.222 0.656 -4.062) 4.676 6.711 ( -29.353 -13.170 -11.705) 34.235 7.851 ( 26.270 10.198 -17.221) 33.026 8.249 ( -33.905 -11.666 19.689) 40.906 8.773 ( 2.821 0.276 -3.130) 4.223 8.846 ( 10.620 -0.937 9.895) 14.546 9.138 ( -6.379 9.170 0.437) 11.179 10.281 ( -6.405 -9.545 -5.169) 12.604 10.570 ( -5.282 6.627 -8.322) 11.877 11.068 ( 8.199 4.597 6.208) 11.264 11.453 ( 2.519 3.221 -1.028) 4.216 12.567 ( 25.727 -4.574 3.844) 26.411 12.756 ( 16.559 2.168 8.990) 18.966 17.677 ( 11.265 1.637 -3.364) 11.870 17.835 ( 6.505 4.235 5.545) 9.540 18.760 ( 0.138 1.978 -5.536) 5.880 18.949 ( -8.118 -2.796 2.519) 8.948 20.281 ( -4.533 -1.845 -0.539) 4.924 20.736 ( 8.572 3.067 0.404) 9.113 27.396 ( -2.097 -1.172 0.957) 2.587 27.606 ( -0.679 1.270 0.637) 1.574 36.520 ( -4.198 -0.735 -1.531) 4.528 36.749 ( -3.575 0.498 4.004) 5.391 37.247 ( -17.310 -5.616 -14.331) 23.164 40.002 ( 16.882 4.290 8.489) 19.377 ======================= Grid point 210 (71/231) ======================= q-point: (-0.15 0.15 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.762 ( -30.479 -19.562 8.818) 37.275 3.415 ( -34.003 -11.509 4.590) 36.190 5.051 ( 4.602 -10.965 3.861) 12.502 5.747 ( -53.451 -8.859 -13.857) 55.924 6.023 ( -11.515 15.904 -9.486) 21.807 6.451 ( 1.150 -1.055 -1.822) 2.399 6.779 ( 18.371 -0.220 7.729) 19.932 7.672 ( -28.533 -3.257 11.522) 30.943 8.094 ( 7.547 -9.257 -12.865) 17.554 8.827 ( 5.711 2.152 -11.138) 12.701 8.963 ( -15.780 6.368 1.618) 17.093 9.274 ( 27.346 6.898 10.861) 30.222 10.092 ( -2.948 -10.450 -3.806) 11.505 10.506 ( -6.980 9.590 -8.606) 14.654 11.292 ( 6.103 8.245 3.248) 10.760 11.517 ( 3.872 0.933 -0.809) 4.064 13.029 ( 26.726 4.778 -1.827) 27.211 13.198 ( 32.241 -4.237 19.430) 37.881 17.857 ( 10.467 2.749 -5.042) 11.939 18.013 ( 8.533 1.066 6.535) 10.801 18.735 ( -2.571 2.203 -6.203) 7.067 18.778 ( -10.024 -2.350 -1.217) 10.367 20.201 ( -4.016 -1.082 3.985) 5.760 20.906 ( 8.455 2.410 1.050) 8.854 27.365 ( -1.190 -0.801 0.740) 1.614 27.585 ( -2.826 0.077 -0.073) 2.828 36.413 ( -7.140 -1.656 -1.255) 7.436 36.715 ( -3.861 1.095 3.246) 5.162 36.885 ( -13.906 -3.581 -9.121) 17.011 40.287 ( 12.436 1.620 -2.322) 12.755 ======================= Grid point 211 (72/231) ======================= q-point: (-0.08 0.15 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.128 ( -32.778 -19.724 17.365) 42.012 2.732 ( -44.241 -7.937 9.423) 45.925 4.511 ( -77.837 -8.912 -1.061) 78.353 5.088 ( 7.071 -7.770 4.526) 11.440 5.921 ( -11.690 10.353 -14.063) 21.014 6.524 ( 4.720 3.865 7.441) 9.622 6.984 ( 8.467 -10.460 6.941) 15.142 7.450 ( -9.745 7.914 8.005) 14.889 7.980 ( -0.552 -6.373 -11.347) 13.026 8.686 ( -17.703 0.908 -0.076) 17.727 8.915 ( 4.179 2.807 -6.161) 7.956 9.887 ( 18.250 11.780 5.214) 22.339 10.005 ( 14.560 -7.539 -0.831) 16.417 10.434 ( -8.199 8.868 -4.372) 12.845 11.428 ( 3.227 4.252 -0.702) 5.384 11.578 ( 3.843 -1.105 -1.267) 4.195 13.464 ( 23.225 5.027 -2.690) 23.914 13.822 ( 37.938 -10.483 14.483) 41.940 18.004 ( 7.107 3.479 -4.096) 8.910 18.181 ( 8.882 -2.733 4.611) 10.374 18.577 ( -10.442 -1.863 -2.615) 10.924 18.649 ( -5.867 3.568 -12.963) 14.670 20.215 ( 0.882 0.786 19.135) 19.171 21.056 ( 6.942 1.177 2.179) 7.370 27.349 ( -0.344 -0.474 0.308) 0.661 27.523 ( -4.067 -0.532 -0.825) 4.184 36.241 ( -11.403 -0.289 -1.428) 11.496 36.648 ( -4.565 -2.739 -5.401) 7.584 36.692 ( -6.369 2.992 3.632) 7.919 40.366 ( 3.652 -2.049 -25.406) 25.749 ======================= Grid point 215 (73/231) ======================= q-point: ( 0.23 0.23 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.484 ( 0.000 35.423 25.005) 43.359 2.803 ( 0.000 37.881 32.760) 50.082 3.912 ( 0.000 54.672 34.694) 64.752 5.256 ( -0.000 0.653 -15.583) 15.597 5.525 ( 0.000 -0.692 11.050) 11.071 6.652 ( -0.000 -9.942 -1.429) 10.044 7.427 ( -0.000 -9.196 -21.913) 23.765 7.557 ( 0.000 4.794 3.675) 6.041 7.616 ( 0.000 4.968 28.878) 29.303 8.549 ( 0.000 9.567 -1.170) 9.639 8.692 ( -0.000 -6.176 -14.132) 15.422 9.990 ( 0.000 2.505 6.797) 7.244 10.278 ( -0.000 -21.586 -8.272) 23.117 10.402 ( 0.000 -0.251 11.556) 11.558 11.385 ( -0.000 -1.831 -3.092) 3.594 11.520 ( -0.000 -0.744 -6.986) 7.025 13.659 ( -0.000 -24.950 -3.575) 25.204 14.477 ( -0.000 -4.312 -4.356) 6.129 17.988 ( -0.000 -8.447 -2.774) 8.891 18.107 ( -0.000 1.667 -8.971) 9.125 18.382 ( 0.000 -1.867 2.242) 2.917 18.419 ( -0.000 9.635 -1.733) 9.790 21.247 ( 0.000 -39.391 33.055) 51.423 21.269 ( 0.000 -7.189 7.884) 10.669 27.357 ( 0.000 0.531 0.310) 0.615 27.434 ( -0.000 3.275 -1.873) 3.772 36.032 ( 0.000 9.064 -1.203) 9.143 36.515 ( -0.000 2.393 -2.879) 3.744 36.659 ( 0.000 4.731 0.789) 4.796 38.815 ( -0.000 58.369 -58.019) 82.299 ======================= Grid point 216 (74/231) ======================= q-point: ( 0.31 0.23 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.937 ( -0.041 27.926 28.360) 39.802 3.202 ( -4.354 41.042 21.952) 46.747 4.832 ( 25.377 38.662 23.213) 51.745 5.053 ( -4.397 -0.884 -8.381) 9.506 5.764 ( 18.627 0.405 2.355) 18.780 6.553 ( -0.278 -10.064 -0.477) 10.079 7.066 ( -8.500 -17.381 -11.712) 22.617 7.636 ( -3.862 11.096 -0.842) 11.779 8.001 ( 14.841 10.528 22.853) 29.212 8.532 ( -2.824 -1.009 -10.454) 10.876 8.642 ( 1.266 6.253 -11.610) 13.248 10.031 ( -0.842 -22.008 -0.287) 22.026 10.128 ( 7.623 2.353 8.226) 11.459 10.501 ( 6.180 -2.568 10.421) 12.385 11.377 ( 1.707 -0.582 -1.664) 2.453 11.448 ( -2.429 -1.407 -7.095) 7.631 13.328 ( -7.338 -26.852 -5.473) 28.369 14.062 ( -37.268 -9.894 -0.531) 38.563 17.900 ( -0.786 -11.170 -2.247) 11.421 18.136 ( 8.349 3.059 -12.089) 15.007 18.303 ( -6.373 -0.819 3.167) 7.163 18.562 ( 4.660 8.784 -1.817) 10.108 21.010 ( -7.227 -25.581 23.940) 35.774 21.200 ( -3.856 -8.957 6.827) 11.904 27.358 ( -0.898 1.037 0.256) 1.395 27.467 ( 1.372 3.479 -2.379) 4.432 36.209 ( 10.162 7.941 -0.822) 12.923 36.510 ( -1.350 3.532 -3.200) 4.954 36.809 ( 11.153 5.739 3.834) 13.116 39.044 ( 2.667 37.644 -46.118) 59.591 ======================= Grid point 217 (75/231) ======================= q-point: ( 0.38 0.23 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.296 ( -0.001 24.456 25.543) 35.363 3.726 ( 10.560 37.051 13.747) 40.906 4.899 ( 0.332 -2.389 -1.644) 2.919 5.598 ( 20.224 9.162 4.553) 22.664 6.079 ( 12.166 -2.715 -4.418) 13.225 6.448 ( 0.127 -6.838 -1.373) 6.976 6.860 ( 7.579 -3.840 -0.683) 8.524 7.607 ( -5.745 1.078 -1.412) 6.013 8.321 ( 4.307 -4.596 -7.491) 9.787 8.536 ( -0.484 19.211 11.440) 22.364 8.661 ( 2.876 9.006 -13.015) 16.086 9.853 ( -0.100 -20.316 10.475) 22.858 10.322 ( 8.774 1.727 6.151) 10.853 10.646 ( 8.895 -4.419 10.422) 14.397 11.322 ( -5.572 0.668 -6.232) 8.386 11.439 ( 3.658 -0.463 -0.199) 3.693 12.878 ( -16.285 -25.584 -5.191) 30.769 13.281 ( -40.516 -9.872 1.644) 41.734 17.728 ( -5.466 -10.248 -2.524) 11.885 18.157 ( -6.193 -1.658 -3.363) 7.240 18.320 ( 11.146 1.987 -4.505) 12.185 18.696 ( 3.303 8.279 -3.074) 9.429 20.808 ( -6.653 -15.324 15.935) 23.087 21.052 ( -6.873 -9.725 4.711) 12.806 27.356 ( -0.742 1.710 0.182) 1.873 27.510 ( 1.425 3.230 -2.624) 4.399 36.430 ( 8.578 4.451 0.675) 9.687 36.524 ( 1.201 4.907 -4.015) 6.453 37.162 ( 20.896 7.051 8.269) 23.553 39.102 ( -3.957 21.728 -36.527) 42.685 ======================= Grid point 218 (76/231) ======================= q-point: ( 0.46 0.23 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.688 ( 9.025 21.899 15.321) 28.209 4.312 ( 12.446 32.451 11.507) 36.611 4.956 ( 12.951 -12.153 2.372) 17.918 5.776 ( -11.182 -11.263 -4.614) 16.528 5.939 ( 6.751 -0.565 -2.949) 7.389 6.458 ( 7.268 -3.988 -11.390) 14.088 7.242 ( 21.623 9.373 5.954) 24.308 7.485 ( -0.227 -11.543 -5.091) 12.618 8.218 ( 0.630 -7.305 -11.327) 13.493 8.575 ( -5.888 13.348 -15.249) 21.103 8.845 ( -8.381 15.989 15.252) 23.633 9.756 ( 1.255 -16.291 14.348) 21.745 10.509 ( 8.372 4.065 3.703) 10.017 10.780 ( 5.670 -4.722 9.096) 11.713 11.202 ( -9.688 4.971 -2.164) 11.102 11.475 ( 1.820 -3.267 1.088) 3.895 12.270 ( -23.371 -20.525 0.754) 31.114 12.782 ( -13.679 -8.099 -1.143) 15.938 17.542 ( -5.406 -6.865 -2.069) 8.980 17.983 ( -10.034 -3.112 -1.939) 10.683 18.516 ( 12.668 1.853 -3.774) 13.348 18.786 ( 1.861 6.139 -4.381) 7.768 20.665 ( -5.206 -9.230 9.835) 14.457 20.861 ( -7.835 -8.915 2.615) 12.153 27.375 ( 0.481 2.618 0.331) 2.682 27.541 ( 0.554 2.422 -2.357) 3.425 36.536 ( 1.696 4.407 -1.930) 5.101 36.631 ( 6.502 3.061 0.211) 7.190 37.667 ( 26.283 7.147 11.207) 29.453 38.963 ( -11.219 11.516 -29.243) 33.371 ======================= Grid point 219 (77/231) ======================= q-point: ( 0.54 0.23 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.126 ( 14.892 17.690 3.593) 23.401 4.799 ( 8.003 23.580 6.129) 25.644 4.990 ( 6.606 -23.547 -4.349) 24.840 5.390 ( -11.044 -13.552 10.834) 20.567 6.125 ( 7.103 5.329 -6.205) 10.833 6.554 ( 10.362 10.980 -10.258) 18.252 7.382 ( 11.315 -15.302 -10.020) 21.508 7.441 ( -0.948 -9.327 -13.381) 16.338 8.184 ( 5.950 -3.384 2.092) 7.157 8.549 ( -4.679 14.086 -7.363) 16.568 8.785 ( -20.622 15.398 11.407) 28.151 9.680 ( -4.629 -12.998 14.370) 19.921 10.664 ( 6.104 -3.544 -0.798) 7.103 10.838 ( -0.757 4.457 4.462) 6.352 11.094 ( -7.974 3.377 5.145) 10.073 11.429 ( -2.676 -8.020 2.653) 8.861 11.945 ( 1.180 -10.607 0.675) 10.694 12.561 ( -6.985 -6.243 -0.542) 9.384 17.425 ( -2.700 -1.699 -1.481) 3.517 17.780 ( -9.276 -3.690 -1.234) 10.059 18.704 ( 8.195 3.243 -2.652) 9.204 18.837 ( 3.723 1.706 -3.631) 5.473 20.564 ( -3.723 -5.170 5.330) 8.307 20.676 ( -6.802 -6.723 1.247) 9.644 27.425 ( 1.910 3.357 0.605) 3.910 27.547 ( -0.693 1.251 -1.590) 2.139 36.590 ( 1.075 4.767 -2.470) 5.475 36.743 ( 4.217 0.912 2.085) 4.792 38.225 ( 26.627 6.109 11.118) 29.495 38.684 ( -15.352 5.171 -22.160) 27.450 ======================= Grid point 220 (78/231) ======================= q-point: ( 0.62 0.23 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.417 ( 7.610 -4.611 -13.301) 16.003 4.692 ( -12.493 -3.871 -3.693) 13.590 4.986 ( 1.714 -6.707 2.395) 7.325 5.433 ( 11.132 -4.063 25.302) 27.940 6.230 ( 6.720 17.165 -21.120) 28.033 6.694 ( 0.439 -0.006 -9.513) 9.523 7.043 ( -16.310 -13.959 -18.669) 28.450 7.655 ( 30.957 5.378 -1.963) 31.482 8.193 ( -11.120 4.523 5.969) 13.407 8.603 ( -0.507 11.425 -4.976) 12.472 8.764 ( -1.721 8.445 13.371) 15.908 9.512 ( -11.929 -9.859 17.872) 23.641 10.631 ( 0.263 -7.146 -4.641) 8.525 10.820 ( -5.695 -0.156 -0.767) 5.749 11.130 ( 1.645 5.572 3.706) 6.892 11.275 ( -3.477 -15.942 4.600) 16.953 11.999 ( 7.818 -0.868 -1.995) 8.115 12.410 ( -4.169 -5.555 1.317) 7.070 17.400 ( -0.313 2.429 -2.683) 3.632 17.643 ( -3.013 -2.735 2.215) 4.633 18.765 ( -0.574 4.332 -6.328) 7.690 18.948 ( 8.882 -1.960 2.092) 9.333 20.508 ( -1.203 -1.985 2.162) 3.172 20.533 ( -5.179 -4.208 0.541) 6.695 27.494 ( 1.521 2.958 0.147) 3.329 27.531 ( -0.806 0.619 0.009) 1.016 36.627 ( -0.295 4.051 -2.156) 4.599 36.804 ( 1.548 -0.175 2.595) 3.027 38.272 ( -18.505 1.447 -19.088) 26.625 38.823 ( 25.970 4.541 12.329) 29.104 ======================= Grid point 221 (79/231) ======================= q-point: (-0.31 0.23 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.139 ( -12.255 -14.700 -8.593) 20.979 4.416 ( -15.605 -15.011 -5.499) 22.340 5.006 ( 7.222 -4.993 0.470) 8.792 5.760 ( 13.138 3.744 19.377) 23.709 6.448 ( -8.527 30.127 -26.980) 41.331 6.585 ( 16.801 -13.870 -10.311) 24.103 6.671 ( -8.387 -1.501 -8.977) 12.376 7.841 ( -15.800 4.767 -5.687) 17.456 8.366 ( 18.488 6.943 8.311) 21.426 8.677 ( 0.996 5.262 -0.916) 5.433 8.960 ( 9.650 7.620 11.697) 16.971 9.307 ( -17.834 -3.695 18.724) 26.120 10.526 ( -2.710 -5.653 -6.089) 8.739 10.715 ( -4.803 -0.605 -2.967) 5.678 10.978 ( -8.173 -13.522 3.097) 16.101 11.310 ( 8.659 -1.672 2.780) 9.247 12.063 ( 4.281 -1.632 -6.469) 7.927 12.394 ( 5.704 -3.316 5.591) 8.648 17.422 ( 2.929 2.162 -3.895) 5.331 17.665 ( 3.788 0.476 5.217) 6.465 18.756 ( -0.554 3.717 -6.161) 7.217 19.047 ( 3.492 -2.666 3.100) 5.377 20.426 ( -4.456 -2.445 0.148) 5.085 20.524 ( 3.255 0.492 0.665) 3.359 27.476 ( -2.591 -0.432 -0.206) 2.634 27.581 ( 2.064 2.602 1.045) 3.482 36.628 ( -2.368 2.537 -1.531) 3.793 36.822 ( -0.498 -0.275 2.482) 2.546 37.867 ( -20.768 -0.158 -14.601) 25.388 39.328 ( 24.651 2.622 9.631) 26.595 ======================= Grid point 222 (80/231) ======================= q-point: (-0.23 0.23 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.713 ( -26.955 -9.797 4.183) 28.984 4.008 ( -7.405 -17.811 -6.203) 20.262 5.030 ( -0.278 -4.315 0.633) 4.370 6.082 ( 14.937 0.600 7.132) 16.563 6.310 ( -9.663 16.721 -17.326) 25.945 6.540 ( -2.252 -0.079 -2.599) 3.440 6.811 ( 2.585 2.640 -11.435) 12.017 7.666 ( -2.782 12.849 -10.757) 16.987 8.516 ( 0.964 -16.305 14.734) 21.997 8.747 ( 4.338 0.545 1.297) 4.560 8.993 ( -27.694 0.651 13.035) 30.615 9.252 ( 4.012 10.798 -2.118) 11.712 10.344 ( -10.151 -4.820 -2.435) 11.498 10.626 ( -2.481 0.985 -4.477) 5.213 10.975 ( 12.286 2.627 6.562) 14.174 11.418 ( 4.958 -1.729 0.112) 5.252 12.129 ( 15.427 -8.043 -2.619) 17.594 12.551 ( 12.494 -2.071 5.551) 13.827 17.511 ( 8.223 1.751 -3.739) 9.202 17.786 ( 6.157 0.830 5.519) 8.310 18.759 ( -0.025 4.065 -5.737) 7.031 19.032 ( -3.500 -2.981 1.753) 4.921 20.340 ( -4.321 -1.307 0.902) 4.604 20.627 ( 7.496 1.471 0.544) 7.658 27.427 ( -2.593 -0.820 0.283) 2.734 27.627 ( 0.452 1.552 0.432) 1.673 36.584 ( -4.239 0.906 -0.748) 4.399 36.812 ( -1.803 -0.036 1.649) 2.444 37.470 ( -20.798 0.472 -9.035) 22.680 39.747 ( 20.988 0.270 3.517) 21.283 ======================= Grid point 223 (81/231) ======================= q-point: (-0.15 0.23 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.166 ( -31.448 -10.571 9.374) 34.476 3.745 ( -14.949 -5.154 3.473) 16.189 4.952 ( -1.944 -5.618 0.807) 5.999 6.205 ( -11.057 13.132 -18.690) 25.377 6.321 ( 11.427 -3.217 -6.813) 13.688 6.486 ( -25.879 5.937 -1.389) 26.588 6.625 ( -0.149 1.954 10.080) 10.268 7.806 ( 7.841 3.211 -14.310) 16.630 8.247 ( -28.941 -9.539 20.347) 36.641 8.691 ( 4.022 -0.269 -10.684) 11.419 8.977 ( 15.271 -1.593 13.159) 20.221 9.239 ( -10.310 5.535 -3.944) 12.349 10.147 ( -9.821 -1.853 2.587) 10.324 10.606 ( -1.518 5.306 -5.398) 7.720 11.292 ( 8.984 11.391 3.023) 14.820 11.448 ( 3.275 -3.639 -1.395) 5.091 12.453 ( 35.510 -11.224 3.753) 37.430 12.811 ( 19.141 -2.320 4.168) 19.726 17.670 ( 11.431 2.074 -4.554) 12.478 17.921 ( 7.005 -1.286 5.949) 9.280 18.758 ( -1.360 3.827 -7.584) 8.603 18.911 ( -8.305 -2.159 0.170) 8.582 20.279 ( -3.518 -0.252 4.594) 5.792 20.782 ( 9.260 0.945 1.109) 9.374 27.384 ( -1.919 -0.753 0.294) 2.083 27.625 ( -1.719 0.317 -0.486) 1.814 36.506 ( -5.666 0.224 -0.082) 5.671 36.773 ( -2.953 -1.151 -1.222) 3.397 37.133 ( -19.233 3.968 -1.462) 19.692 40.031 ( 15.882 -2.398 -6.592) 17.362 ======================= Grid point 224 (82/231) ======================= q-point: (-0.08 0.23 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.629 ( -32.909 -4.877 14.477) 36.282 3.361 ( -34.061 -1.662 7.795) 34.981 4.918 ( 2.815 -3.631 -1.236) 4.758 5.668 ( -56.195 9.582 -1.790) 57.035 6.141 ( -12.805 4.426 -8.685) 16.093 6.514 ( 7.176 7.032 0.519) 10.060 6.769 ( 9.574 -7.192 9.550) 15.317 7.677 ( -10.952 -9.164 -0.285) 14.283 7.999 ( -7.996 10.159 5.110) 13.901 8.766 ( 6.023 3.446 -11.368) 13.319 9.009 ( -13.936 -0.339 -4.996) 14.808 9.446 ( 30.548 -2.299 12.573) 33.114 10.052 ( -5.493 5.678 7.816) 11.113 10.601 ( -4.361 7.547 -3.258) 9.305 11.418 ( 1.043 -1.728 -0.841) 2.187 11.484 ( 4.810 -0.040 -1.679) 5.095 12.998 ( 38.794 -10.073 -1.170) 40.098 13.156 ( 26.158 -7.405 3.354) 27.392 17.854 ( 11.547 2.158 -5.372) 12.917 18.045 ( 7.303 -3.574 5.818) 9.998 18.672 ( -6.731 0.822 -10.578) 12.565 18.766 ( -8.216 2.048 -1.792) 8.655 20.295 ( 0.407 0.771 13.775) 13.803 20.941 ( 8.921 -0.341 2.102) 9.172 27.355 ( -1.009 -0.611 -0.019) 1.180 27.576 ( -3.442 -0.342 -1.351) 3.714 36.406 ( -7.801 1.574 0.574) 7.979 36.672 ( -4.773 -2.640 -5.084) 7.457 36.934 ( -14.193 8.052 6.327) 17.502 40.122 ( 7.630 -4.839 -23.087) 24.791 ======================= Grid point 229 (83/231) ======================= q-point: ( 0.31 0.31 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.308 ( 0.000 27.489 20.452) 34.262 3.750 ( 0.000 29.136 28.117) 40.490 4.931 ( 0.000 6.889 0.045) 6.889 5.251 ( 0.000 35.138 3.748) 35.338 5.511 ( -0.000 -10.514 -0.207) 10.516 6.463 ( -0.000 -10.759 0.966) 10.802 6.866 ( -0.000 -20.006 -12.054) 23.357 7.726 ( -0.000 3.181 -5.260) 6.147 8.179 ( 0.000 22.118 21.489) 30.838 8.504 ( -0.000 4.156 -12.159) 12.849 8.693 ( 0.000 11.337 0.401) 11.344 9.790 ( -0.000 -23.140 -3.838) 23.456 10.167 ( 0.000 5.933 9.663) 11.340 10.477 ( 0.000 -4.620 12.725) 13.538 11.348 ( 0.000 -0.827 0.280) 0.873 11.404 ( -0.000 -3.305 -7.911) 8.573 13.087 ( -0.000 -29.079 -7.172) 29.950 14.252 ( -0.000 -16.756 -1.041) 16.789 17.768 ( -0.000 -10.793 -4.320) 11.625 18.045 ( -0.000 1.984 -9.990) 10.185 18.354 ( 0.000 -4.073 3.646) 5.467 18.612 ( -0.000 12.821 -2.146) 13.000 20.938 ( 0.000 -23.243 18.909) 29.963 21.173 ( 0.000 -10.888 6.463) 12.662 27.382 ( 0.000 1.758 0.509) 1.831 27.473 ( -0.000 3.347 -2.724) 4.315 36.209 ( -0.000 11.484 -2.528) 11.758 36.556 ( 0.000 3.544 0.068) 3.544 36.772 ( 0.000 5.675 1.978) 6.010 39.161 ( -0.000 33.010 -37.367) 49.860 ======================= Grid point 230 (84/231) ======================= q-point: ( 0.38 0.31 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.661 ( 1.418 22.675 19.550) 29.973 4.034 ( -4.131 20.814 20.867) 29.761 4.933 ( -1.569 1.610 -8.847) 9.129 5.345 ( 10.571 -8.915 -3.286) 14.213 5.848 ( 13.185 16.740 0.788) 21.323 6.360 ( -0.515 -11.074 0.344) 11.091 6.731 ( 6.154 -3.384 2.083) 7.326 7.644 ( -3.570 -7.087 -7.078) 10.633 8.280 ( -7.491 3.147 -9.504) 12.504 8.637 ( 6.715 12.957 -10.245) 17.831 8.887 ( -2.441 30.120 22.746) 37.823 9.621 ( 5.793 -21.406 0.862) 22.193 10.302 ( 3.621 5.090 9.105) 11.042 10.539 ( 5.418 -5.115 12.530) 14.578 11.313 ( -0.883 -3.138 -6.436) 7.215 11.378 ( 2.826 -1.156 0.232) 3.062 12.744 ( -4.669 -26.972 -7.608) 28.411 13.795 ( -31.251 -18.681 0.216) 36.410 17.653 ( -0.000 -12.053 -2.683) 12.348 18.069 ( 6.721 3.016 -12.311) 14.347 18.297 ( -3.675 -3.971 4.874) 7.282 18.737 ( 1.284 12.156 -2.634) 12.504 20.806 ( -2.751 -16.798 13.504) 21.728 21.064 ( -3.759 -11.826 4.883) 13.335 27.392 ( -1.162 2.123 0.453) 2.462 27.504 ( 1.443 3.232 -2.830) 4.532 36.358 ( 6.309 9.431 -2.635) 11.648 36.566 ( -2.132 4.310 -0.290) 4.818 36.965 ( 14.425 5.766 5.288) 16.410 39.227 ( -4.476 23.948 -30.022) 38.663 ======================= Grid point 231 (85/231) ======================= q-point: ( 0.46 0.31 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.942 ( -1.822 20.230 16.750) 26.327 4.352 ( 16.766 5.170 16.128) 23.831 4.853 ( -6.532 5.625 -5.516) 10.234 5.542 ( 28.218 -9.463 -10.239) 31.474 5.899 ( -11.852 -0.405 0.864) 11.891 6.254 ( 1.351 -10.375 -3.030) 10.892 7.066 ( 18.042 9.654 7.837) 21.912 7.437 ( -6.684 -7.652 -7.533) 12.648 8.093 ( -3.852 -5.029 -15.558) 16.798 8.711 ( -2.867 13.947 -12.817) 19.157 9.281 ( -6.248 30.934 21.497) 38.185 9.555 ( 7.574 -20.003 6.775) 22.436 10.452 ( 5.403 3.065 4.489) 7.664 10.673 ( 8.017 -3.802 11.673) 14.663 11.269 ( 1.318 0.788 -4.706) 4.951 11.408 ( 1.964 -3.054 1.070) 3.785 12.358 ( -11.373 -24.018 -3.131) 26.759 13.084 ( -32.359 -13.231 0.635) 34.965 17.518 ( -1.916 -10.207 -0.529) 10.399 18.077 ( -4.681 0.529 -9.196) 10.332 18.311 ( 9.489 -2.077 1.777) 9.875 18.832 ( -0.706 10.085 -3.605) 10.734 20.684 ( -3.112 -11.029 8.821) 14.461 20.894 ( -5.908 -11.023 2.902) 12.838 27.399 ( -0.455 2.324 0.507) 2.422 27.541 ( 1.073 2.963 -2.646) 4.115 36.524 ( 5.855 5.266 -0.448) 7.888 36.588 ( 0.646 5.257 -2.377) 5.806 37.367 ( 23.542 5.352 8.605) 25.630 39.148 ( -11.418 15.836 -23.931) 30.885 ======================= Grid point 232 (86/231) ======================= q-point: ( 0.54 0.31 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.197 ( 4.605 17.244 7.105) 19.211 4.583 ( 9.148 -21.471 -3.325) 23.574 4.950 ( 7.212 17.311 15.215) 24.149 5.618 ( -20.104 -2.991 7.081) 21.524 5.952 ( 23.779 1.762 0.267) 23.845 6.229 ( 15.480 -5.092 -13.521) 21.175 7.109 ( -0.678 -18.294 -7.021) 19.607 7.391 ( -4.612 8.299 -16.020) 18.623 8.038 ( 9.542 0.161 -0.643) 9.565 8.718 ( -4.798 13.865 -9.383) 17.415 9.318 ( -17.539 6.140 14.912) 23.826 9.600 ( 2.685 -3.846 7.068) 8.483 10.545 ( 4.118 -3.281 0.006) 5.265 10.814 ( 7.055 -1.670 3.739) 8.157 11.295 ( -5.183 4.943 2.027) 7.443 11.393 ( 0.892 -5.583 1.138) 5.767 11.936 ( -12.207 -15.601 6.922) 20.984 12.635 ( -12.229 -7.492 -2.203) 14.510 17.424 ( -0.446 -5.353 1.262) 5.517 17.898 ( -10.446 -1.729 -5.220) 11.805 18.506 ( 14.348 -1.085 -0.395) 14.395 18.862 ( -2.888 7.177 -4.586) 8.993 20.589 ( -2.844 -6.696 5.162) 8.920 20.716 ( -5.828 -8.418 1.384) 10.332 27.431 ( 1.204 2.543 0.764) 2.916 27.561 ( -0.178 2.225 -2.137) 3.090 36.613 ( 0.878 4.829 -0.366) 4.922 36.678 ( 5.471 2.708 -1.410) 6.265 37.879 ( 27.887 4.006 9.719) 29.802 38.921 ( -17.490 9.692 -18.663) 27.352 ======================= Grid point 233 (87/231) ======================= q-point: ( 0.62 0.31 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.354 ( -7.531 -2.852 -8.598) 11.780 4.511 ( 16.282 -5.617 -2.876) 17.462 5.206 ( -19.159 5.364 5.677) 20.690 5.395 ( 6.675 -3.546 27.249) 28.278 6.104 ( 6.158 -3.108 -5.255) 8.671 6.612 ( 12.675 3.982 -8.876) 15.978 7.044 ( 19.263 -4.657 -14.683) 24.665 7.169 ( -2.689 5.256 -19.185) 20.073 8.264 ( 8.012 2.892 8.147) 11.787 8.722 ( -4.310 11.230 -7.678) 14.270 9.119 ( -19.670 4.494 13.098) 24.056 9.568 ( -2.500 -8.113 6.799) 10.877 10.533 ( 1.352 -6.112 -2.039) 6.583 10.895 ( 4.099 -1.276 -4.167) 5.983 11.143 ( -10.453 -8.618 9.017) 16.274 11.304 ( -6.770 -4.144 1.640) 8.105 11.900 ( 5.316 3.028 5.361) 8.134 12.431 ( -5.110 -6.805 -1.894) 8.719 17.419 ( 1.124 0.464 1.697) 2.088 17.695 ( -8.142 -2.956 -2.932) 9.145 18.725 ( 12.932 -0.617 0.583) 12.959 18.838 ( -2.820 4.001 -4.747) 6.819 20.522 ( -1.931 -3.417 2.515) 4.662 20.573 ( -4.629 -5.121 0.570) 6.926 27.490 ( 2.488 2.527 0.888) 3.656 27.554 ( -1.476 1.155 -1.331) 2.299 36.662 ( 0.092 4.567 -0.966) 4.669 36.766 ( 3.888 0.413 0.125) 3.912 38.397 ( 20.960 3.850 5.387) 21.981 38.613 ( -13.536 3.982 -10.372) 17.511 ======================= Grid point 234 (88/231) ======================= q-point: (-0.31 0.31 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.092 ( -8.430 -9.215 -6.660) 14.154 4.727 ( -0.604 4.531 -3.640) 5.844 4.782 ( -14.055 -12.589 3.355) 19.165 5.750 ( 11.092 7.606 24.199) 27.685 6.121 ( 12.523 -16.783 -11.454) 23.868 6.566 ( -2.868 -0.339 -9.728) 10.148 6.916 ( -12.656 26.035 -21.742) 36.203 7.753 ( 34.000 6.490 -2.501) 34.704 8.340 ( -4.024 0.178 6.754) 7.864 8.702 ( -1.822 5.931 -8.593) 10.599 8.995 ( -4.783 2.124 13.552) 14.527 9.493 ( -2.643 -7.457 9.866) 12.646 10.483 ( -0.004 -4.010 -1.184) 4.181 10.826 ( -9.140 0.558 -3.142) 9.681 10.985 ( -4.101 -15.815 4.796) 17.027 11.182 ( -0.334 -1.782 1.053) 2.097 12.028 ( 1.720 5.236 -1.993) 5.861 12.324 ( 0.365 -5.915 2.419) 6.401 17.435 ( -2.663 3.710 -2.348) 5.135 17.614 ( 3.086 -3.392 2.942) 5.449 18.792 ( -2.651 4.635 -4.942) 7.276 18.921 ( 10.059 -2.641 1.742) 10.545 20.472 ( -3.817 -2.450 0.308) 4.546 20.497 ( 0.514 -1.101 0.964) 1.551 27.518 ( -2.632 0.717 -0.699) 2.816 27.565 ( 2.858 1.446 0.842) 3.312 36.683 ( -1.648 3.181 -0.724) 3.655 36.813 ( 1.906 -0.398 0.425) 1.993 38.191 ( -23.375 4.942 -8.752) 25.444 38.948 ( 27.783 -0.996 5.626) 28.364 ======================= Grid point 235 (89/231) ======================= q-point: (-0.23 0.31 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.909 ( -5.352 -1.745 1.513) 5.829 4.212 ( -31.517 -6.989 4.856) 32.646 4.927 ( 9.987 -1.003 -3.286) 10.562 5.923 ( 4.227 -7.765 -4.342) 9.850 6.268 ( 17.340 0.498 4.047) 17.813 6.500 ( -0.269 1.658 -6.186) 6.410 6.948 ( -7.525 29.135 -13.582) 33.014 7.907 ( -12.667 6.270 -2.753) 14.399 8.371 ( 5.734 -11.389 9.749) 16.051 8.695 ( 1.745 -0.497 -7.557) 7.771 9.168 ( 11.416 4.436 0.298) 12.251 9.397 ( -10.228 -5.470 10.748) 15.813 10.451 ( -3.909 0.800 3.466) 5.285 10.664 ( -5.454 -1.556 -3.627) 6.733 10.828 ( 2.349 -6.766 6.855) 9.914 11.256 ( 8.576 -3.277 0.204) 9.183 12.008 ( -3.549 2.748 -6.825) 8.169 12.380 ( 8.635 -4.145 5.190) 10.894 17.430 ( 1.615 2.577 -3.105) 4.346 17.701 ( 6.783 -2.269 4.425) 8.410 18.779 ( -1.070 4.261 -4.604) 6.364 19.014 ( 3.256 -2.540 0.819) 4.209 20.400 ( -3.630 -0.890 0.908) 3.846 20.537 ( 4.625 0.105 0.557) 4.660 27.470 ( -3.158 -0.010 -0.163) 3.163 27.619 ( 1.962 0.552 0.199) 2.048 36.659 ( -3.685 1.540 -0.123) 3.995 36.825 ( 0.025 -0.717 -0.376) 0.809 37.828 ( -23.270 5.517 -2.779) 24.076 39.371 ( 24.685 -3.238 -0.244) 24.897 ======================= Grid point 236 (90/231) ======================= q-point: (-0.15 0.31 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.669 ( -31.532 -1.880 9.591) 33.012 3.924 ( -4.791 7.647 9.115) 12.826 4.972 ( -1.921 -1.105 -1.565) 2.713 5.949 ( 16.180 -8.541 -12.844) 22.354 6.376 ( -5.791 8.223 -10.523) 14.556 6.608 ( 4.318 4.813 4.648) 7.963 6.969 ( -12.424 11.764 4.461) 17.682 7.792 ( -5.738 14.741 -14.118) 21.202 8.364 ( 4.041 -18.435 19.110) 26.859 8.640 ( -1.039 -5.989 -10.063) 11.757 9.039 ( -16.665 -5.499 4.048) 18.009 9.357 ( -0.490 3.200 -2.189) 3.908 10.361 ( -12.114 3.606 7.238) 14.565 10.631 ( 0.368 3.853 -1.683) 4.220 11.080 ( 24.109 -7.084 6.064) 25.850 11.352 ( 5.060 0.741 0.011) 5.114 12.005 ( 8.655 0.232 -4.677) 9.841 12.547 ( 13.212 -2.783 3.386) 13.920 17.511 ( 7.432 2.061 -3.481) 8.462 17.812 ( 7.262 -3.474 4.530) 9.237 18.777 ( -1.203 3.357 -5.350) 6.430 18.990 ( -3.427 -1.503 -0.932) 3.857 20.351 ( -2.924 0.130 3.308) 4.417 20.647 ( 8.126 -0.211 0.908) 8.179 27.419 ( -2.887 -0.195 -0.006) 2.894 27.634 ( 0.092 -0.585 -0.772) 0.973 36.599 ( -4.969 0.882 0.552) 5.077 36.791 ( -2.162 -1.719 -2.340) 3.620 37.533 ( -21.419 8.474 4.259) 23.425 39.667 ( 19.603 -5.639 -9.089) 22.331 ======================= Grid point 237 (91/231) ======================= q-point: (-0.08 0.31 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.225 ( -31.640 5.732 12.041) 34.335 3.889 ( -21.652 8.581 11.924) 26.165 4.912 ( -2.085 3.947 -0.735) 4.523 6.123 ( 17.374 -3.340 -12.123) 21.447 6.217 ( -13.850 4.239 -14.035) 20.168 6.617 ( -8.546 0.731 2.311) 8.883 6.840 ( -18.442 7.354 17.467) 26.444 7.748 ( -7.520 6.997 -12.484) 16.166 8.313 ( -8.789 -3.521 17.518) 19.913 8.575 ( 10.367 -0.586 -11.785) 15.707 8.944 ( 7.626 -7.584 -1.692) 10.887 9.324 ( -4.216 0.234 8.548) 9.534 10.272 ( -8.178 7.204 9.585) 14.514 10.685 ( 0.127 6.704 -1.024) 6.783 11.231 ( 9.232 -18.319 -0.382) 20.517 11.461 ( 2.973 3.653 0.038) 4.710 12.303 ( 28.910 -2.771 -3.220) 29.221 12.786 ( 17.916 -2.574 0.390) 18.104 17.654 ( 10.607 0.784 -4.696) 11.626 17.916 ( 7.615 -4.783 4.430) 10.025 18.729 ( -4.314 2.479 -7.187) 8.741 18.891 ( -6.577 0.424 -2.117) 6.922 20.356 ( -0.180 0.620 8.649) 8.673 20.790 ( 9.521 -1.510 1.589) 9.771 27.375 ( -2.174 -0.251 -0.255) 2.203 27.606 ( -1.762 -1.046 -1.630) 2.618 36.531 ( -5.369 1.750 1.350) 5.806 36.700 ( -4.336 -2.288 -3.971) 6.309 37.340 ( -18.764 11.501 9.972) 24.162 39.792 ( 12.408 -7.343 -21.194) 25.633 ======================= Grid point 243 (92/231) ======================= q-point: ( 0.38 0.38 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.878 ( 0.000 16.080 8.970) 18.412 4.312 ( 0.000 -2.191 15.109) 15.267 4.812 ( -0.000 -2.709 -3.621) 4.522 5.119 ( -0.000 -12.339 -12.556) 17.604 6.092 ( 0.000 34.861 11.641) 36.754 6.260 ( -0.000 -10.983 -0.189) 10.984 6.650 ( 0.000 -1.434 6.216) 6.380 7.537 ( -0.000 -11.161 -8.539) 14.053 8.410 ( -0.000 3.567 -14.638) 15.066 8.577 ( -0.000 7.767 -6.572) 10.174 9.369 ( 0.000 38.639 27.640) 47.508 9.376 ( -0.000 -14.661 -3.952) 15.184 10.365 ( 0.000 3.134 10.263) 10.731 10.509 ( 0.000 -4.460 11.487) 12.322 11.255 ( -0.000 -3.687 -7.288) 8.168 11.343 ( 0.000 -1.618 2.691) 3.140 12.495 ( -0.000 -24.222 -8.467) 25.659 13.833 ( -0.000 -26.505 -2.026) 26.583 17.522 ( -0.000 -10.171 -4.509) 11.125 17.977 ( -0.000 0.904 -8.730) 8.776 18.312 ( 0.000 -4.258 3.822) 5.722 18.843 ( -0.000 14.108 -2.367) 14.305 20.738 ( 0.000 -14.313 10.261) 17.611 21.000 ( 0.000 -13.025 4.055) 13.642 27.430 ( 0.000 2.613 0.651) 2.693 27.501 ( -0.000 2.747 -2.974) 4.049 36.388 ( -0.000 11.125 -4.575) 12.029 36.646 ( 0.000 3.019 5.278) 6.080 36.900 ( 0.000 5.373 2.364) 5.870 39.344 ( -0.000 20.750 -24.081) 31.788 ======================= Grid point 244 (93/231) ======================= q-point: ( 0.46 0.38 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.125 ( 11.947 9.935 4.637) 16.216 4.162 ( -1.833 -18.361 2.203) 18.584 4.951 ( 10.683 -8.038 -7.973) 15.567 5.042 ( 4.938 7.828 7.202) 11.727 6.146 ( -0.496 -11.300 -0.060) 11.311 6.245 ( -17.567 17.072 8.393) 25.894 6.896 ( 15.598 5.217 5.917) 17.479 7.410 ( 0.771 -3.286 -3.932) 5.182 8.142 ( -15.332 -1.971 -16.519) 22.624 8.724 ( 8.716 4.658 -8.923) 13.315 9.298 ( 4.459 -9.624 -1.251) 10.681 9.819 ( -6.632 36.488 22.264) 43.255 10.438 ( 1.588 0.473 6.054) 6.277 10.585 ( 5.962 -3.140 11.089) 12.976 11.200 ( 1.709 -1.755 -4.742) 5.338 11.371 ( 2.359 -0.189 2.908) 3.749 12.230 ( -2.780 -19.360 -5.961) 20.447 13.365 ( -21.591 -26.324 -2.675) 34.150 17.419 ( 0.704 -9.669 -2.382) 9.983 18.000 ( 6.212 1.974 -10.339) 12.222 18.265 ( -2.676 -4.621 5.250) 7.488 18.949 ( -1.681 12.957 -2.656) 13.333 20.656 ( -1.103 -10.410 7.027) 12.608 20.871 ( -2.960 -12.403 2.610) 13.016 27.439 ( -1.512 2.274 0.351) 2.753 27.532 ( 1.790 2.737 -2.442) 4.081 36.492 ( 3.592 8.487 -4.369) 10.199 36.658 ( -3.297 3.331 3.787) 6.025 37.115 ( 16.779 3.990 5.449) 18.088 39.349 ( -7.454 15.967 -18.826) 25.787 ======================= Grid point 245 (94/231) ======================= q-point: ( 0.54 0.38 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.044 ( 10.983 -21.353 -1.793) 24.079 4.463 ( 8.258 12.726 3.991) 15.687 5.009 ( 6.000 3.016 8.365) 10.727 5.394 ( 30.038 -1.573 -0.268) 30.080 5.994 ( -10.705 -6.975 2.301) 12.983 6.115 ( -13.085 7.245 5.428) 15.912 6.937 ( -0.878 -13.566 -6.230) 14.954 7.534 ( -4.275 14.502 -8.178) 17.190 7.908 ( 4.112 1.140 -4.683) 6.335 8.815 ( 2.483 6.120 -9.144) 11.280 9.276 ( 4.042 -12.688 3.869) 13.867 10.001 ( -16.935 24.767 11.953) 32.296 10.477 ( 1.508 -2.178 1.193) 2.905 10.687 ( 5.372 -4.717 3.050) 7.772 11.248 ( 6.408 -2.131 -0.436) 6.767 11.430 ( -1.128 3.447 3.756) 5.221 11.994 ( -5.819 -11.718 3.422) 13.523 12.779 ( -19.027 -18.063 -3.727) 26.499 17.351 ( 1.898 -7.469 0.507) 7.723 18.004 ( -4.921 2.388 -10.110) 11.495 18.281 ( 9.215 -4.440 5.258) 11.501 18.990 ( -4.765 9.986 -3.176) 11.511 20.583 ( -1.438 -6.784 4.239) 8.128 20.718 ( -3.949 -9.552 1.253) 10.412 27.444 ( -0.139 1.755 0.469) 1.822 27.569 ( 0.850 2.518 -1.967) 3.307 36.604 ( 4.542 4.548 -2.327) 6.835 36.669 ( -0.961 3.858 1.202) 4.154 37.519 ( 24.839 1.939 7.200) 25.934 39.209 ( -15.149 11.515 -14.015) 23.632 ======================= Grid point 246 (95/231) ======================= q-point: ( 0.62 0.38 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.079 ( 14.897 -16.069 -2.091) 22.012 4.561 ( -7.486 11.864 -5.532) 15.080 5.267 ( 14.196 -5.041 22.407) 27.000 5.690 ( -23.592 -1.514 5.500) 24.272 6.021 ( -3.334 -2.039 2.991) 4.921 6.052 ( 48.295 4.779 -5.879) 48.886 6.740 ( -1.970 -11.411 -8.093) 14.128 7.374 ( -13.771 15.987 -19.646) 28.830 8.165 ( 12.243 3.948 7.740) 15.013 8.840 ( -2.143 8.252 -8.706) 12.185 9.233 ( 2.897 -14.197 8.531) 16.814 9.865 ( -25.619 13.368 2.135) 28.975 10.469 ( 0.712 -3.169 0.786) 3.341 10.716 ( 5.998 -6.498 -3.828) 9.636 11.282 ( -2.935 -5.168 0.969) 6.022 11.332 ( -5.412 -7.806 4.425) 10.479 11.972 ( -1.292 8.826 9.578) 13.089 12.422 ( -6.410 -11.485 -5.384) 14.212 17.360 ( 4.835 -3.788 2.370) 6.583 17.831 ( -11.516 0.900 -5.795) 12.923 18.478 ( 14.862 -2.380 2.625) 15.278 18.954 ( -6.641 6.567 -3.419) 9.945 20.526 ( -1.401 -3.898 2.093) 4.641 20.591 ( -3.452 -5.481 0.398) 6.490 27.475 ( 1.805 1.211 0.698) 2.283 27.582 ( -0.774 1.877 -1.406) 2.470 36.693 ( 2.454 2.627 0.498) 3.629 36.707 ( 2.026 2.546 -1.199) 3.467 37.998 ( 28.619 -0.414 6.280) 29.303 38.946 ( -21.016 8.233 -9.256) 24.395 ======================= Grid point 247 (96/231) ======================= q-point: (-0.31 0.38 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.130 ( 0.818 -4.850 1.862) 5.259 4.523 ( 2.747 3.988 -8.358) 9.660 5.257 ( -30.588 -2.672 5.440) 31.183 5.551 ( 19.727 -13.679 6.839) 24.961 5.940 ( -1.975 -0.517 4.522) 4.961 6.552 ( -1.366 1.305 -7.975) 8.196 7.000 ( 48.107 5.290 -0.184) 48.398 7.311 ( -5.276 24.531 -11.940) 27.788 8.337 ( 4.665 -5.490 7.782) 10.605 8.791 ( -6.836 5.410 -10.017) 13.279 9.192 ( -3.106 -7.886 11.457) 14.251 9.543 ( -16.826 0.594 -2.072) 16.963 10.459 ( -0.228 -1.236 2.488) 2.788 10.741 ( 6.297 -4.881 -5.615) 9.747 11.093 ( -10.619 -4.429 5.035) 12.559 11.235 ( -5.369 -4.689 -0.210) 7.132 12.078 ( -0.498 7.540 3.872) 8.491 12.268 ( -0.434 -7.429 -2.536) 7.862 17.446 ( 6.337 -0.955 2.592) 6.913 17.631 ( -10.164 0.376 -3.353) 10.709 18.711 ( 13.849 -1.502 2.320) 14.122 18.884 ( -5.740 4.405 -3.077) 7.863 20.489 ( -0.617 -1.810 0.715) 2.042 20.506 ( -2.973 -2.122 0.051) 3.653 27.527 ( 3.025 0.423 0.617) 3.116 27.565 ( -2.279 1.113 -0.746) 2.643 36.728 ( -0.685 2.500 0.296) 2.609 36.766 ( 3.428 -0.039 -0.586) 3.478 38.475 ( 27.410 -1.812 2.913) 27.624 38.615 ( -22.297 5.725 -4.010) 23.367 ======================= Grid point 248 (97/231) ======================= q-point: (-0.23 0.38 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.072 ( -8.153 7.148 7.657) 13.274 4.637 ( 0.193 -1.601 -2.900) 3.318 4.780 ( -17.663 1.799 1.679) 17.834 5.589 ( 11.957 -21.734 -16.189) 29.622 6.152 ( 11.523 11.426 18.116) 24.321 6.515 ( -1.308 5.070 -6.856) 8.626 7.307 ( -10.391 24.145 -4.156) 26.613 7.833 ( 32.181 2.760 0.430) 32.302 8.310 ( -2.574 -9.001 7.151) 11.780 8.616 ( -6.560 -2.653 -15.637) 17.163 9.102 ( -2.955 -4.085 9.767) 10.992 9.396 ( -0.548 -8.239 -1.334) 8.365 10.485 ( 1.705 1.525 5.163) 5.647 10.709 ( -3.425 -0.852 -6.758) 7.624 10.933 ( -10.306 -0.677 6.482) 12.194 11.148 ( 1.916 -1.063 -0.638) 2.282 12.116 ( -5.925 6.809 -3.876) 9.823 12.230 ( 6.469 -7.236 3.183) 10.215 17.482 ( -5.925 3.570 -1.994) 7.199 17.571 ( 7.513 -4.115 2.383) 8.891 18.833 ( -3.314 3.658 -2.361) 5.472 18.897 ( 9.084 -1.169 0.985) 9.211 20.450 ( -2.930 -0.233 0.307) 2.955 20.487 ( 1.650 -0.682 0.235) 1.800 27.525 ( -3.264 0.588 -0.180) 3.321 27.578 ( 2.958 -0.687 0.078) 3.037 36.722 ( -2.309 0.928 0.614) 2.564 36.800 ( 1.590 -0.690 -1.009) 2.006 38.277 ( -24.334 7.886 2.009) 25.659 38.899 ( 27.194 -5.692 -2.740) 27.918 ======================= Grid point 249 (98/231) ======================= q-point: (-0.15 0.38 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.143 ( -6.832 13.981 16.606) 22.758 4.257 ( -27.147 6.967 6.451) 28.760 4.915 ( 9.176 3.269 -3.794) 10.454 5.518 ( 14.076 -14.933 -17.971) 27.278 6.495 ( -1.773 11.120 -2.952) 11.641 6.573 ( 9.938 8.124 8.364) 15.320 7.260 ( -12.364 8.179 3.350) 15.198 8.025 ( -8.587 9.736 -2.831) 13.287 8.255 ( 0.372 -11.690 12.570) 17.169 8.448 ( 5.674 -10.976 -21.793) 25.052 9.136 ( -0.465 -4.514 -4.797) 6.603 9.255 ( 3.041 -15.352 4.681) 16.335 10.589 ( 0.248 3.197 9.139) 9.685 10.691 ( 2.290 7.860 -1.052) 8.254 10.796 ( -5.980 -1.741 4.913) 7.932 11.255 ( 8.719 1.420 0.299) 8.839 12.023 ( -6.381 6.460 -6.402) 11.110 12.348 ( 10.689 -3.996 3.849) 12.043 17.453 ( 0.317 2.549 -1.866) 3.174 17.666 ( 7.702 -4.934 2.206) 9.409 18.814 ( -2.083 3.230 -1.896) 4.285 18.980 ( 2.405 -0.834 -1.580) 2.996 20.411 ( -2.581 0.597 1.598) 3.094 20.537 ( 5.119 -0.765 0.523) 5.202 27.473 ( -3.573 0.357 0.067) 3.591 27.604 ( 1.763 -1.733 -0.763) 2.587 36.682 ( -3.757 0.374 1.154) 3.948 36.788 ( -0.833 -1.643 -2.187) 2.859 38.009 ( -22.358 10.358 8.422) 26.040 39.209 ( 22.818 -7.873 -10.467) 26.310 ======================= Grid point 250 (99/231) ======================= q-point: (-0.08 0.38 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.860 ( -29.617 10.714 11.180) 33.421 4.351 ( -11.548 18.190 15.430) 26.501 4.995 ( 0.871 7.587 -0.119) 7.638 5.641 ( 23.484 -7.224 -16.740) 29.731 6.425 ( -13.969 7.392 -8.818) 18.098 6.674 ( -5.564 -3.854 3.706) 7.717 7.266 ( -3.733 10.554 13.001) 17.157 7.914 ( -8.861 10.331 -14.577) 19.943 8.227 ( 3.975 -13.734 15.961) 21.428 8.389 ( 10.084 -6.558 -12.574) 17.401 8.881 ( -9.003 -9.107 -6.557) 14.387 9.316 ( 7.453 -10.666 6.991) 14.771 10.558 ( -13.414 6.536 9.001) 17.426 10.733 ( 0.546 6.225 0.755) 6.294 10.904 ( 10.528 -8.352 4.215) 14.084 11.400 ( 6.999 -0.208 -0.432) 7.015 12.056 ( 6.127 9.696 -5.750) 12.831 12.523 ( 12.794 -2.731 2.198) 13.266 17.508 ( 5.382 1.121 -3.348) 6.437 17.751 ( 8.111 -6.372 2.281) 10.564 18.793 ( -3.325 3.480 -2.467) 5.409 18.955 ( -2.760 -0.330 -3.331) 4.339 20.402 ( -0.824 0.676 4.517) 4.641 20.636 ( 7.954 -1.919 1.068) 8.252 27.419 ( -3.360 0.290 -0.145) 3.375 27.596 ( 0.228 -2.007 -1.467) 2.496 36.629 ( -4.192 1.081 1.470) 4.572 36.725 ( -3.060 -2.055 -2.654) 4.542 37.832 ( -20.258 12.982 13.472) 27.576 39.373 ( 16.747 -9.318 -19.906) 27.632 ======================= Grid point 257 (100/231) ======================= q-point: ( 0.46 0.46 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.875 ( -0.000 -30.313 -7.170) 31.149 4.074 ( -0.000 5.007 -3.583) 6.157 4.849 ( 0.000 1.594 7.898) 8.057 5.120 ( 0.000 2.997 7.087) 7.695 6.052 ( -0.000 -9.909 0.845) 9.945 6.708 ( 0.000 -3.544 2.263) 4.205 6.771 ( 0.000 25.005 10.226) 27.015 7.356 ( 0.000 1.211 0.738) 1.418 8.258 ( -0.000 -0.668 -15.970) 15.984 8.482 ( -0.000 -10.019 -6.463) 11.922 9.250 ( -0.000 4.145 -4.338) 6.000 10.322 ( 0.000 32.152 14.284) 35.182 10.448 ( 0.000 -3.759 6.462) 7.476 10.563 ( 0.000 -0.288 10.424) 10.428 11.157 ( -0.000 0.354 -4.356) 4.370 11.381 ( 0.000 4.654 6.175) 7.733 12.065 ( -0.000 -13.422 -5.509) 14.508 13.222 ( -0.000 -34.655 -5.918) 35.157 17.322 ( -0.000 -6.575 -3.012) 7.232 17.908 ( -0.000 0.112 -6.256) 6.257 18.279 ( 0.000 -3.106 3.588) 4.745 19.076 ( -0.000 12.755 -2.171) 12.938 20.606 ( 0.000 -8.243 4.961) 9.621 20.789 ( 0.000 -12.002 1.773) 12.133 27.484 ( 0.000 2.241 0.531) 2.303 27.519 ( -0.000 2.153 -2.400) 3.224 36.520 ( -0.000 8.552 -5.805) 10.336 36.760 ( 0.000 0.550 9.780) 9.796 37.005 ( 0.000 3.532 1.374) 3.790 39.469 ( -0.000 13.832 -14.146) 19.785 ======================= Grid point 258 (101/231) ======================= q-point: ( 0.54 0.46 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.666 ( 7.799 -20.845 -0.912) 22.275 4.282 ( 20.695 5.296 -0.936) 21.382 4.936 ( 5.684 2.054 1.640) 6.263 5.172 ( 2.219 -4.161 8.640) 9.843 5.971 ( -1.416 -7.186 3.216) 7.999 6.545 ( -14.481 2.663 2.946) 15.016 6.891 ( -8.658 1.468 0.309) 8.787 7.586 ( 13.780 12.048 5.541) 19.124 7.961 ( -14.727 0.786 -11.157) 18.493 8.578 ( 16.467 -7.650 -6.867) 19.412 9.254 ( -2.891 3.864 -2.873) 5.616 10.427 ( -1.036 -1.114 6.412) 6.590 10.493 ( -6.236 10.576 -1.042) 12.322 10.644 ( -1.439 2.070 7.336) 7.757 11.163 ( 1.960 1.044 -1.511) 2.686 11.513 ( -2.007 9.068 6.398) 11.278 11.963 ( 1.785 -2.984 1.056) 3.634 12.765 ( -9.833 -32.019 -6.881) 34.194 17.264 ( 0.740 -4.771 -0.900) 4.911 17.943 ( 6.289 1.978 -7.573) 10.041 18.243 ( -2.723 -3.353 5.647) 7.110 19.144 ( -3.688 9.812 -2.133) 10.697 20.557 ( -0.439 -5.711 2.927) 6.432 20.680 ( -1.673 -9.033 0.777) 9.220 27.476 ( -1.769 1.358 0.020) 2.230 27.558 ( 2.095 2.085 -1.409) 3.274 36.580 ( 2.102 5.836 -4.777) 7.830 36.751 ( -4.082 0.717 6.404) 7.628 37.209 ( 17.818 0.646 4.071) 18.289 39.454 ( -8.788 11.046 -9.685) 17.118 ======================= Grid point 259 (102/231) ======================= q-point: ( 0.62 0.46 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.718 ( 14.004 -8.711 3.079) 16.777 4.658 ( 9.855 7.737 -3.788) 13.089 5.097 ( 5.360 -8.744 13.896) 17.271 5.314 ( 32.784 -1.865 -6.492) 33.472 5.913 ( -3.487 -2.647 9.303) 10.281 6.297 ( -20.784 0.527 3.202) 21.036 6.705 ( -7.592 -3.352 -6.363) 10.458 7.669 ( -12.260 15.517 -7.531) 21.161 8.017 ( 13.782 0.803 6.153) 15.114 8.742 ( 12.801 -1.314 -5.158) 13.863 9.191 ( -5.304 -0.969 0.074) 5.392 10.362 ( -16.380 4.250 -8.437) 18.909 10.459 ( -0.924 3.173 6.725) 7.493 10.616 ( -1.832 -3.040 1.164) 3.736 11.213 ( 3.365 -0.632 -0.154) 3.428 11.390 ( -9.979 -9.125 1.651) 13.623 12.123 ( 3.046 14.346 7.113) 16.300 12.346 ( -6.249 -20.901 -6.589) 22.789 17.260 ( 3.399 -2.832 1.030) 4.542 17.967 ( -4.654 3.881 -8.792) 10.678 18.274 ( 8.545 -3.085 8.138) 12.197 19.115 ( -7.120 5.588 -2.013) 9.272 20.516 ( -0.620 -3.471 1.156) 3.711 20.589 ( -1.983 -4.347 0.007) 4.778 27.470 ( -0.009 0.488 0.309) 0.578 27.594 ( 0.741 1.668 -1.001) 2.082 36.643 ( 3.269 2.377 -2.643) 4.829 36.742 ( -1.255 1.192 3.370) 3.789 37.573 ( 24.829 -2.358 4.076) 25.271 39.300 ( -16.642 8.702 -5.124) 19.466 ======================= Grid point 260 (103/231) ======================= q-point: (-0.31 -0.54 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.950 ( 15.709 1.502 3.460) 16.156 4.657 ( -10.904 7.640 -7.568) 15.315 5.099 ( 12.929 -23.112 -1.295) 26.514 5.712 ( -19.401 -2.577 6.093) 20.498 5.984 ( 7.378 0.287 2.489) 7.792 6.230 ( 38.385 4.981 10.890) 40.210 6.583 ( -3.553 4.996 -8.123) 10.176 7.655 ( -9.570 21.078 2.120) 23.246 8.192 ( 9.360 -9.424 4.067) 13.891 8.868 ( 0.454 6.117 -8.930) 10.833 9.108 ( 0.789 -6.956 5.136) 8.683 9.953 ( -27.817 -2.014 -7.563) 28.897 10.500 ( -2.169 0.846 7.155) 7.524 10.612 ( 4.609 2.094 -3.317) 6.052 11.175 ( -5.094 -5.703 -1.681) 7.830 11.243 ( -1.528 -1.802 -0.529) 2.421 12.097 ( -0.540 -14.582 -4.386) 15.237 12.281 ( -2.813 11.657 3.767) 12.569 17.327 ( 6.172 -1.495 1.426) 6.509 17.820 ( -11.493 3.250 -4.383) 12.722 18.492 ( 13.935 -0.340 5.507) 14.988 19.019 ( -7.663 2.592 -1.382) 8.207 20.485 ( -0.565 -1.726 -0.135) 1.821 20.533 ( -2.168 -0.494 -0.414) 2.262 27.487 ( 1.877 -0.474 0.390) 1.975 27.600 ( -1.015 1.089 -0.441) 1.553 36.701 ( 3.650 -0.136 -1.166) 3.834 36.757 ( -0.155 0.957 1.907) 2.139 37.984 ( 27.952 -5.033 1.189) 28.427 39.046 ( -21.803 7.622 -0.114) 23.097 ======================= Grid point 261 (104/231) ======================= q-point: (-0.23 -0.54 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.252 ( 9.932 10.617 5.863) 15.676 4.516 ( -4.535 4.729 -6.016) 8.895 5.077 ( 14.905 -21.401 -15.231) 30.202 5.256 ( -29.004 -3.737 5.441) 29.746 6.172 ( 8.377 7.168 12.939) 17.000 6.565 ( -0.640 8.702 -7.201) 11.313 7.128 ( 48.995 3.921 6.464) 49.575 7.715 ( -11.015 15.742 11.547) 22.416 8.214 ( 5.160 -11.984 2.195) 13.231 8.721 ( -13.496 0.329 -13.825) 19.323 9.124 ( 1.516 -7.971 6.233) 10.231 9.477 ( -19.755 -3.700 -5.247) 20.772 10.517 ( 0.019 2.103 5.192) 5.602 10.713 ( 1.490 8.228 -7.333) 11.122 11.026 ( -2.983 -6.215 0.589) 6.919 11.181 ( -5.197 2.158 -3.147) 6.448 12.032 ( 7.882 -10.361 1.007) 13.057 12.292 ( -7.389 7.723 -0.775) 10.716 17.426 ( 6.817 -2.217 1.061) 7.246 17.650 ( -10.866 3.706 -1.913) 11.639 18.730 ( 11.869 0.442 3.223) 12.307 18.926 ( -5.376 1.812 -0.225) 5.678 20.466 ( 0.133 -0.764 -0.729) 1.064 20.498 ( -2.635 1.423 -0.422) 3.024 27.519 ( 2.828 -1.580 0.069) 3.240 27.578 ( -2.508 0.631 0.142) 2.590 36.738 ( 1.820 -1.680 0.324) 2.498 36.769 ( 0.225 0.320 0.201) 0.440 38.373 ( 27.618 -7.436 -3.683) 28.838 38.763 ( -23.310 8.388 5.397) 25.355 ======================= Grid point 262 (105/231) ======================= q-point: (-0.15 0.46 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.459 ( -2.399 18.160 15.411) 23.938 4.660 ( 10.029 10.108 -9.651) 17.202 4.840 ( -19.596 -0.623 8.346) 21.309 5.041 ( 13.483 -16.721 -18.400) 28.283 6.497 ( 14.209 8.754 10.846) 19.904 6.624 ( -1.043 12.762 -5.439) 13.912 7.626 ( -20.439 0.665 19.834) 28.488 7.807 ( 31.759 -8.424 -3.595) 33.054 8.192 ( 2.161 -8.389 2.866) 9.125 8.369 ( -15.012 0.900 -19.084) 24.297 9.047 ( -0.794 -11.746 10.206) 15.580 9.200 ( -9.695 -4.666 -9.911) 14.628 10.607 ( 3.637 4.897 6.012) 8.564 10.704 ( -1.660 5.872 -6.585) 8.978 11.045 ( -3.792 5.164 4.584) 7.878 11.110 ( 2.962 -0.881 -3.827) 4.919 12.135 ( 10.721 -5.826 4.570) 13.029 12.207 ( -8.436 7.574 -4.732) 12.285 17.503 ( 3.460 -3.034 2.353) 5.169 17.539 ( -3.773 2.728 -2.386) 5.231 18.881 ( -2.338 1.892 1.219) 3.245 18.893 ( 6.095 0.338 -0.494) 6.125 20.468 ( -2.766 1.846 0.142) 3.328 20.473 ( 2.038 -0.678 -0.492) 2.204 27.536 ( -3.101 0.210 0.522) 3.151 27.544 ( 2.266 -2.320 -0.562) 3.291 36.730 ( -1.306 -1.539 2.221) 3.002 36.766 ( 0.166 -1.201 -2.310) 2.609 38.517 ( -21.357 9.922 11.801) 26.340 38.691 ( 23.925 -8.637 -10.871) 27.662 ======================= Grid point 263 (106/231) ======================= q-point: (-0.08 0.46 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.475 ( -26.218 11.580 10.781) 30.622 4.745 ( -4.600 21.829 13.801) 26.232 4.937 ( 13.415 -0.568 -0.320) 13.431 5.112 ( 22.274 -2.889 -20.090) 30.135 6.676 ( -7.330 15.010 -6.228) 17.827 6.808 ( 1.213 7.668 3.124) 8.369 7.354 ( -10.537 -8.842 21.557) 25.572 7.816 ( 9.118 -26.904 -25.313) 38.048 8.187 ( -1.596 2.694 8.283) 8.855 8.243 ( -1.924 3.057 -5.211) 6.340 8.915 ( -11.236 -7.487 -10.102) 16.863 9.062 ( 9.987 -14.099 10.947) 20.454 10.739 ( 1.614 7.213 1.490) 7.540 10.778 ( 4.564 2.980 2.574) 6.027 10.956 ( -12.628 8.903 4.124) 15.991 11.228 ( 10.905 -4.190 -1.644) 11.797 12.131 ( -5.176 10.340 -4.656) 12.465 12.318 ( 11.852 -2.757 3.380) 12.629 17.481 ( -1.833 2.152 -1.793) 3.348 17.581 ( 6.600 -5.118 1.165) 8.433 18.873 ( -2.725 3.194 1.451) 4.442 18.941 ( 1.485 -0.658 -3.434) 3.799 20.448 ( -1.979 1.491 1.517) 2.906 20.519 ( 4.908 -1.594 0.262) 5.167 27.483 ( -3.862 0.531 0.315) 3.912 27.550 ( 1.790 -2.786 -0.944) 3.443 36.697 ( -2.860 -0.307 1.411) 3.204 36.728 ( -1.067 -2.201 -1.720) 2.990 38.360 ( -20.297 13.064 16.395) 29.179 38.885 ( 19.893 -10.540 -18.497) 29.137 ======================= Grid point 271 (107/231) ======================= q-point: ( 0.54 0.54 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.473 ( 0.000 -8.915 8.821) 12.541 4.130 ( 0.000 3.947 1.703) 4.299 4.878 ( -0.000 -4.010 -2.004) 4.483 5.170 ( 0.000 -3.626 4.656) 5.902 5.960 ( 0.000 -3.279 7.146) 7.863 6.588 ( -0.000 -2.859 -5.886) 6.544 7.163 ( 0.000 5.050 5.831) 7.714 7.478 ( 0.000 0.657 3.032) 3.102 8.168 ( -0.000 6.277 -5.678) 8.464 8.261 ( -0.000 -2.333 -3.067) 3.853 9.309 ( -0.000 4.536 -3.942) 6.009 10.397 ( 0.000 -4.644 2.442) 5.247 10.572 ( -0.000 2.043 -1.917) 2.802 10.725 ( 0.000 -0.985 1.180) 1.538 11.166 ( -0.000 2.560 -1.506) 2.970 11.787 ( 0.000 21.792 8.208) 23.287 11.893 ( 0.000 -2.391 0.416) 2.427 12.474 ( -0.000 -31.940 -6.824) 32.661 17.232 ( -0.000 -1.033 -0.226) 1.057 17.868 ( -0.000 1.565 -4.208) 4.489 18.273 ( 0.000 -1.717 4.311) 4.640 19.245 ( -0.000 6.462 -1.638) 6.667 20.525 ( 0.000 -4.103 1.409) 4.338 20.623 ( -0.000 -5.831 0.078) 5.832 27.515 ( 0.000 0.638 0.092) 0.644 27.536 ( -0.000 1.719 -1.160) 2.074 36.590 ( -0.000 5.088 -5.453) 7.458 36.846 ( 0.000 -3.534 11.942) 12.454 37.049 ( -0.000 0.619 -0.740) 0.965 39.584 ( -0.000 9.418 -5.601) 10.958 ======================= Grid point 272 (108/231) ======================= q-point: (-0.38 -0.46 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.563 ( 5.407 3.248 13.513) 14.912 4.389 ( 21.543 2.158 6.670) 22.655 4.893 ( 12.801 -3.254 -7.763) 15.321 5.112 ( -4.590 -5.523 3.048) 7.801 5.983 ( -0.784 0.122 10.655) 10.685 6.503 ( -6.701 -0.313 -5.635) 8.761 6.902 ( -20.258 -4.275 -1.356) 20.748 7.686 ( 18.233 -6.804 -1.632) 19.530 8.042 ( -12.231 11.134 4.606) 17.169 8.511 ( 15.035 7.206 0.269) 16.675 9.282 ( -4.686 1.410 -3.173) 5.833 10.372 ( -0.609 -3.893 -1.330) 4.159 10.538 ( -0.882 -0.684 -6.097) 6.199 10.673 ( -2.751 -4.399 -0.389) 5.203 11.184 ( 0.330 0.406 -0.570) 0.774 11.583 ( -17.394 -6.053 -0.139) 18.417 12.032 ( 6.938 -14.430 -4.546) 16.644 12.364 ( -1.426 16.815 4.966) 17.591 17.233 ( -0.202 1.233 1.357) 1.844 17.930 ( 5.998 4.068 -5.907) 9.350 18.261 ( -1.967 -1.811 7.459) 7.923 19.239 ( -4.309 1.520 -1.288) 4.747 20.496 ( -0.140 -2.465 -0.150) 2.473 20.583 ( -0.823 -0.817 -0.587) 1.299 27.488 ( -1.840 -0.065 -0.028) 1.841 27.578 ( 2.180 1.105 -0.500) 2.495 36.612 ( 1.297 2.498 -4.099) 4.972 36.803 ( -3.886 -2.716 7.228) 8.644 37.215 ( 17.523 -3.249 1.970) 17.930 39.571 ( -9.066 7.659 -1.432) 11.954 ======================= Grid point 273 (109/231) ======================= q-point: (-0.31 -0.46 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.799 ( 9.849 8.800 6.469) 14.707 4.625 ( 12.410 -12.768 -7.313) 19.249 4.912 ( -10.500 -4.066 -0.527) 11.272 5.397 ( 39.886 6.665 8.466) 41.316 6.033 ( -5.268 0.049 11.736) 12.864 6.222 ( -14.315 -6.672 0.689) 15.808 6.694 ( -5.775 10.284 -7.074) 13.754 7.854 ( 15.352 -10.976 -4.102) 19.313 8.027 ( -8.631 9.650 14.000) 19.068 8.810 ( 10.175 11.034 -1.667) 15.102 9.159 ( -7.894 -2.646 -1.107) 8.399 10.155 ( -13.116 -13.749 -11.936) 22.440 10.557 ( 4.882 1.335 -2.421) 5.610 10.574 ( -2.347 -4.677 2.827) 5.948 11.155 ( -0.113 -1.490 -4.018) 4.287 11.360 ( -9.461 4.105 0.144) 10.314 11.921 ( -0.518 -11.252 -3.435) 11.776 12.500 ( -6.318 15.936 2.225) 17.286 17.272 ( 1.824 2.569 1.832) 3.645 17.969 ( -4.406 4.992 -7.531) 10.053 18.338 ( 8.557 -0.348 10.716) 13.718 19.139 ( -6.498 -1.790 -0.521) 6.760 20.473 ( -0.178 -1.071 -1.520) 1.869 20.571 ( -1.728 3.026 -1.014) 3.629 27.467 ( -0.114 -1.044 0.109) 1.056 27.610 ( 0.770 0.624 0.014) 0.991 36.638 ( 2.660 -0.449 -1.891) 3.295 36.775 ( -0.818 -1.750 4.107) 4.538 37.515 ( 23.550 -6.203 0.640) 24.362 39.433 ( -16.275 6.632 3.123) 17.850 ======================= Grid point 274 (110/231) ======================= q-point: (-0.23 -0.46 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.092 ( 14.873 9.882 -5.341) 18.638 4.525 ( 6.653 -26.968 -11.935) 30.232 4.790 ( -5.842 10.008 -0.067) 11.588 5.660 ( -23.462 -6.111 4.944) 24.744 6.081 ( 19.392 0.851 10.858) 22.241 6.415 ( 25.069 4.070 10.324) 27.415 6.772 ( 4.659 19.642 -3.968) 20.573 7.924 ( 11.385 -19.611 1.612) 22.733 8.082 ( -6.668 12.348 15.517) 20.922 8.881 ( -11.927 3.828 -12.522) 17.712 9.071 ( 2.161 -1.011 5.080) 5.612 9.688 ( -16.266 -16.272 -7.801) 24.295 10.550 ( 0.701 -0.132 3.927) 3.991 10.680 ( 8.795 3.151 -6.841) 11.579 11.095 ( -10.663 5.424 -9.639) 15.363 11.267 ( -4.936 4.696 -0.585) 6.838 11.833 ( 3.324 -7.959 1.940) 8.840 12.488 ( -8.381 8.410 -1.000) 11.915 17.348 ( 3.164 2.453 1.528) 4.285 17.850 ( -10.266 4.136 -3.976) 11.760 18.572 ( 11.765 1.408 7.444) 13.994 19.019 ( -5.416 -2.145 0.814) 5.882 20.455 ( -0.129 -0.291 -2.399) 2.420 20.565 ( -2.903 4.523 -1.105) 5.487 27.466 ( 1.551 -2.022 0.021) 2.548 27.613 ( -0.959 0.179 0.614) 1.153 36.670 ( 3.412 -2.182 -0.650) 4.101 36.772 ( -0.011 -1.703 2.470) 3.000 37.845 ( 25.913 -8.228 -3.392) 27.398 39.225 ( -20.088 7.052 8.210) 22.818 ======================= Grid point 275 (111/231) ======================= q-point: (-0.15 -0.46 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.364 ( 16.531 -15.111 -7.124) 23.502 4.431 ( 16.706 4.116 -18.843) 25.516 4.846 ( -1.009 10.635 3.496) 11.241 5.290 ( -23.435 1.694 10.990) 25.940 6.375 ( 13.342 1.648 10.221) 16.888 6.694 ( 4.084 9.087 -4.962) 11.131 7.252 ( 26.497 2.978 3.565) 26.901 7.927 ( 6.197 -15.286 16.668) 23.450 8.137 ( -7.823 8.039 8.285) 13.945 8.521 ( -18.614 -5.001 -17.809) 26.242 9.042 ( -4.542 -9.164 6.619) 12.183 9.350 ( -12.960 -0.762 -7.035) 14.766 10.619 ( 3.295 3.754 2.522) 5.596 10.800 ( 2.056 7.899 -11.730) 14.290 10.872 ( -2.579 -5.677 -4.961) 7.968 11.264 ( -4.618 7.764 -0.857) 9.074 11.923 ( 10.578 -2.845 5.887) 12.436 12.405 ( -8.858 6.915 -3.203) 11.685 17.423 ( 2.996 1.044 1.743) 3.620 17.703 ( -10.213 3.874 -2.115) 11.126 18.774 ( 8.289 0.319 3.022) 8.829 18.949 ( -2.556 -0.441 2.477) 3.587 20.442 ( 0.533 -0.282 -2.421) 2.495 20.548 ( -3.789 4.404 -0.859) 5.873 27.475 ( 2.317 -2.860 -0.202) 3.686 27.590 ( -2.365 -0.018 0.996) 2.566 36.694 ( 2.660 -2.958 -0.122) 3.980 36.760 ( -0.616 -1.949 1.107) 2.324 38.145 ( 24.930 -9.794 -9.205) 28.323 39.024 ( -20.390 9.150 13.624) 26.174 ======================= Grid point 285 (112/231) ======================= q-point: (-0.38 -0.38 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.732 ( 0.000 14.303 24.431) 28.310 4.231 ( 0.000 -2.051 6.012) 6.352 4.712 ( -0.000 -2.169 -8.263) 8.543 5.122 ( 0.000 -3.456 1.326) 3.701 6.052 ( 0.000 1.673 11.010) 11.136 6.538 ( -0.000 4.089 -8.552) 9.479 7.057 ( -0.000 -16.591 0.171) 16.592 7.341 ( -0.000 -7.290 -5.720) 9.266 8.394 ( 0.000 13.361 7.638) 15.390 8.398 ( 0.000 11.366 5.203) 12.500 9.310 ( -0.000 -0.270 -3.761) 3.771 10.359 ( 0.000 -1.291 0.457) 1.370 10.408 ( -0.000 -13.960 -17.219) 22.167 10.627 ( -0.000 -8.374 -1.159) 8.454 11.203 ( 0.000 1.943 1.251) 2.311 11.484 ( -0.000 -27.560 -8.687) 28.896 11.977 ( 0.000 7.923 5.298) 9.531 12.640 ( 0.000 30.212 2.200) 30.292 17.281 ( 0.000 4.657 2.816) 5.443 17.887 ( -0.000 4.727 -3.542) 5.907 18.304 ( 0.000 -0.957 6.623) 6.691 19.256 ( -0.000 -3.881 -0.997) 4.007 20.475 ( -0.000 -1.283 -1.729) 2.153 20.600 ( -0.000 4.029 -1.237) 4.215 27.507 ( -0.000 -1.313 -0.495) 1.403 27.559 ( 0.000 1.103 0.255) 1.132 36.601 ( -0.000 1.564 -4.607) 4.865 36.864 ( 0.000 -7.959 12.829) 15.097 37.014 ( -0.000 -2.213 -2.856) 3.613 39.711 ( 0.000 6.108 2.252) 6.510 ======================= Grid point 286 (113/231) ======================= q-point: (-0.31 -0.38 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.904 ( -4.748 11.890 11.803) 17.413 4.273 ( 7.606 -17.367 -6.971) 20.201 4.956 ( 26.080 12.084 12.313) 31.270 5.064 ( -4.352 -1.483 1.564) 4.857 6.131 ( 0.490 2.870 10.828) 11.212 6.390 ( -14.825 -7.488 -4.794) 17.287 6.831 ( -3.329 1.091 -3.858) 5.211 7.434 ( 14.898 -9.766 -3.761) 18.206 8.352 ( -10.716 9.561 12.224) 18.860 8.751 ( 12.092 12.778 3.637) 17.964 9.238 ( -5.251 -2.018 -3.259) 6.501 10.039 ( -5.791 -28.912 -21.458) 36.468 10.405 ( 6.370 -3.372 -3.916) 8.203 10.530 ( 0.699 -9.821 0.939) 9.890 11.164 ( -3.341 1.268 -2.347) 4.275 11.361 ( 5.345 -5.353 -1.550) 7.722 12.042 ( -7.688 12.580 5.233) 15.644 12.828 ( -10.472 24.871 -3.048) 27.157 17.333 ( -1.767 6.548 3.487) 7.626 17.972 ( 4.376 6.569 -6.033) 9.935 18.327 ( 0.366 -0.985 10.702) 10.753 19.172 ( -2.898 -7.185 -0.472) 7.762 20.456 ( 0.056 -0.151 -3.387) 3.391 20.638 ( -1.312 7.238 -1.713) 7.553 27.469 ( -1.535 -1.746 -0.381) 2.356 27.591 ( 1.892 0.239 0.608) 2.001 36.591 ( 0.886 -0.958 -2.963) 3.238 36.797 ( -2.704 -5.527 7.172) 9.449 37.133 ( 16.093 -6.469 0.250) 17.346 39.712 ( -8.504 4.914 6.284) 11.659 ======================= Grid point 287 (114/231) ======================= q-point: (-0.23 -0.38 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.985 ( 2.802 4.605 -4.119) 6.784 4.091 ( 5.685 -25.012 -16.743) 30.631 4.979 ( -6.596 1.898 3.598) 7.749 5.682 ( 33.036 8.468 18.726) 38.907 6.000 ( -18.526 -5.049 5.074) 19.861 6.292 ( 7.026 4.027 11.058) 13.706 6.888 ( 3.097 12.744 -7.970) 15.347 7.539 ( 11.852 -11.796 -0.613) 16.733 8.351 ( -6.621 4.956 15.944) 17.961 9.023 ( 1.247 13.440 -7.595) 15.488 9.082 ( -5.921 -5.152 3.694) 8.675 9.544 ( -2.624 -33.678 -17.439) 38.016 10.456 ( 8.618 -5.813 -7.578) 12.865 10.519 ( 4.166 -2.712 1.573) 5.214 11.187 ( 1.570 9.643 -5.838) 11.381 11.387 ( -0.800 -0.828 1.528) 1.913 12.004 ( -16.999 17.207 3.498) 24.439 12.748 ( -15.665 12.658 -5.182) 20.796 17.391 ( -1.117 7.376 3.104) 8.080 17.993 ( -4.911 5.331 -7.047) 10.109 18.464 ( 8.685 0.801 12.330) 15.102 19.050 ( -3.092 -7.216 0.675) 7.879 20.438 ( 0.054 0.545 -4.768) 4.799 20.666 ( -3.095 8.002 -1.821) 8.771 27.434 ( -0.183 -2.220 -0.228) 2.239 27.617 ( 0.799 -0.473 1.050) 1.402 36.590 ( 2.733 -3.004 -1.046) 4.194 36.763 ( -0.179 -3.992 4.413) 5.953 37.366 ( 21.427 -8.732 -2.062) 23.230 39.610 ( -14.426 4.913 10.829) 18.696 ======================= Grid point 288 (115/231) ======================= q-point: (-0.15 -0.38 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.853 ( 11.743 -27.557 -13.526) 32.867 4.131 ( 14.019 3.975 -17.927) 23.102 4.936 ( -1.024 -0.762 3.324) 3.560 5.745 ( -19.253 8.588 12.503) 24.510 6.190 ( 16.189 -2.746 13.001) 20.944 6.593 ( 12.958 4.518 6.582) 15.220 7.071 ( 11.346 9.779 -7.646) 16.817 7.631 ( 12.725 -8.957 7.294) 17.186 8.379 ( -4.925 2.935 14.296) 15.403 8.719 ( -20.303 -5.819 -17.035) 27.135 9.035 ( -3.089 -14.289 3.685) 15.076 9.379 ( 5.422 -1.076 -5.278) 7.643 10.500 ( 10.535 -8.239 -9.512) 16.412 10.608 ( 5.698 2.566 0.271) 6.255 11.186 ( -18.554 10.020 -7.051) 22.234 11.353 ( 0.512 5.240 -0.283) 5.273 11.927 ( -7.946 12.437 4.814) 15.524 12.603 ( -10.265 8.014 -3.463) 13.476 17.458 ( -1.047 6.815 3.110) 7.564 17.885 ( -9.133 4.150 -4.518) 11.002 18.671 ( 8.152 0.298 7.972) 11.406 18.966 ( -0.795 -4.814 2.180) 5.344 20.419 ( 0.144 0.444 -5.313) 5.334 20.666 ( -4.691 7.279 -1.553) 8.798 27.419 ( 1.143 -2.634 -0.093) 2.872 27.618 ( -0.671 -0.912 1.429) 1.823 36.609 ( 3.658 -3.498 -0.662) 5.104 36.747 ( 0.091 -3.764 3.071) 4.858 37.620 ( 23.052 -9.996 -7.051) 26.096 39.474 ( -16.685 6.750 15.717) 23.895 ======================= Grid point 299 (116/231) ======================= q-point: (-0.31 -0.31 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.972 ( -0.000 -19.220 -12.353) 22.848 4.167 ( 0.000 1.861 9.693) 9.870 4.848 ( 0.000 10.847 12.434) 16.500 5.163 ( 0.000 5.936 8.712) 10.542 6.198 ( 0.000 2.363 8.388) 8.714 6.491 ( -0.000 2.039 -8.406) 8.650 6.642 ( -0.000 -28.101 2.771) 28.237 7.356 ( 0.000 14.561 -0.547) 14.572 8.651 ( 0.000 8.328 4.369) 9.405 8.694 ( 0.000 6.112 11.027) 12.608 9.253 ( -0.000 0.181 -3.864) 3.868 9.591 ( -0.000 -43.266 -29.638) 52.443 10.321 ( -0.000 -3.689 -0.522) 3.726 10.415 ( -0.000 -9.894 -1.300) 9.979 11.211 ( -0.000 1.425 -5.188) 5.380 11.286 ( 0.000 4.274 3.976) 5.837 12.281 ( 0.000 17.282 7.750) 18.940 13.170 ( -0.000 29.588 -9.031) 30.936 17.449 ( 0.000 8.683 5.014) 10.027 17.966 ( -0.000 7.661 -4.304) 8.787 18.369 ( 0.000 -1.392 10.295) 10.388 19.104 ( -0.000 -10.685 -0.548) 10.699 20.436 ( -0.000 0.865 -5.597) 5.664 20.720 ( -0.000 9.724 -2.352) 10.004 27.462 ( -0.000 -2.480 -0.937) 2.651 27.577 ( 0.000 -0.105 1.275) 1.279 36.555 ( -0.000 -2.260 -3.174) 3.896 36.815 ( 0.000 -10.709 12.634) 16.562 36.919 ( -0.000 -3.930 -3.953) 5.574 39.859 ( 0.000 3.291 9.818) 10.355 ======================= Grid point 300 (117/231) ======================= q-point: (-0.23 -0.31 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.715 ( 1.481 -24.975 -17.512) 30.538 4.014 ( -8.035 -9.700 -3.876) 13.179 5.065 ( -2.238 0.351 4.234) 4.802 5.418 ( 20.927 10.090 19.163) 30.115 6.255 ( -7.848 -9.084 9.003) 15.005 6.280 ( 0.862 3.667 5.879) 6.983 6.668 ( 13.254 -8.105 -5.772) 16.573 7.520 ( -1.434 16.885 4.008) 17.413 8.562 ( -8.729 -1.126 10.070) 13.374 8.958 ( 13.958 -4.955 2.079) 14.956 9.044 ( 0.060 -35.921 -24.438) 43.445 9.210 ( -5.804 7.269 -5.895) 11.012 10.273 ( 1.909 -6.954 -4.683) 8.598 10.405 ( 6.703 -3.793 1.375) 7.824 11.223 ( 0.784 7.322 -3.922) 8.344 11.377 ( 2.332 3.154 3.552) 5.292 12.444 ( -7.693 22.262 7.015) 24.576 13.197 ( -21.111 24.000 -12.818) 34.438 17.532 ( -3.013 9.849 4.833) 11.377 18.042 ( 1.029 7.636 -6.767) 10.255 18.432 ( 3.521 -1.390 13.901) 14.407 18.992 ( -0.388 -11.089 0.015) 11.096 20.415 ( 0.133 1.579 -7.779) 7.939 20.784 ( -2.138 9.997 -2.607) 10.550 27.422 ( -1.006 -2.399 -0.720) 2.700 27.595 ( 1.493 -1.095 1.403) 2.323 36.518 ( 1.197 -4.462 -1.300) 4.799 36.752 ( -1.115 -6.622 6.787) 9.547 36.991 ( 13.604 -8.023 -1.024) 15.827 39.884 ( -7.251 2.626 13.875) 15.874 ======================= Grid point 301 (118/231) ======================= q-point: (-0.15 -0.31 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.377 ( 3.660 -30.596 -17.420) 35.397 3.862 ( 6.812 -11.129 -11.838) 17.618 4.953 ( -5.511 -4.695 0.852) 7.289 5.922 ( 20.875 -4.338 17.456) 27.556 6.165 ( -9.442 7.483 11.933) 16.957 6.459 ( 14.208 -1.043 4.649) 14.985 6.773 ( 11.675 -4.970 -9.812) 16.040 7.630 ( -3.676 9.581 8.646) 13.419 8.494 ( 1.688 -13.422 4.963) 14.409 8.609 ( -0.821 -19.291 -16.416) 25.344 9.062 ( -5.617 -2.403 6.294) 8.771 9.249 ( 5.484 11.513 -9.698) 16.021 10.234 ( 6.436 -7.611 -8.449) 13.066 10.533 ( 7.842 1.348 3.515) 8.699 11.335 ( 4.783 9.075 -2.437) 10.544 11.415 ( -3.682 1.081 2.916) 4.819 12.466 ( -23.829 26.942 1.789) 36.012 12.911 ( -21.996 13.879 -8.266) 27.291 17.599 ( -3.346 10.492 4.434) 11.871 18.020 ( -5.917 4.993 -6.699) 10.238 18.596 ( 7.477 -0.757 12.813) 14.854 18.905 ( 1.343 -8.797 1.052) 8.961 20.389 ( 0.161 1.386 -9.147) 9.252 20.808 ( -4.331 8.975 -2.300) 10.227 27.388 ( -0.133 -2.177 -0.278) 2.198 27.609 ( 0.945 -1.896 1.560) 2.631 36.510 ( 3.523 -4.670 -0.517) 5.872 36.722 ( 0.165 -5.217 4.832) 7.112 37.160 ( 18.468 -9.632 -4.324) 21.273 39.838 ( -11.412 3.875 18.094) 21.741 ======================= Grid point 313 (119/231) ======================= q-point: (-0.23 -0.23 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.381 ( -0.000 -26.554 -18.343) 32.274 3.875 ( -0.000 -27.593 -10.495) 29.522 5.208 ( 0.000 6.622 20.595) 21.634 5.345 ( -0.000 2.552 -1.699) 3.066 5.983 ( -0.000 -38.896 3.912) 39.093 6.378 ( 0.000 1.538 5.998) 6.192 6.670 ( 0.000 20.347 4.733) 20.890 7.754 ( 0.000 17.933 10.066) 20.565 8.363 ( -0.000 -45.032 -24.592) 51.310 8.740 ( 0.000 -2.007 3.932) 4.415 8.866 ( 0.000 -4.712 2.326) 5.255 9.340 ( -0.000 16.055 -6.439) 17.298 10.214 ( 0.000 -7.363 1.382) 7.492 10.282 ( -0.000 -2.287 -2.229) 3.193 11.256 ( -0.000 6.022 -3.039) 6.745 11.425 ( 0.000 5.763 3.825) 6.917 12.752 ( 0.000 23.855 7.541) 25.019 13.574 ( -0.000 29.109 -18.123) 34.289 17.683 ( 0.000 9.963 5.729) 11.492 18.077 ( -0.000 9.282 -5.398) 10.737 18.453 ( 0.000 -3.117 14.374) 14.708 18.877 ( -0.000 -12.587 -0.307) 12.591 20.385 ( -0.000 2.471 -11.121) 11.392 20.883 ( -0.000 10.082 -3.122) 10.555 27.405 ( -0.000 -2.298 -1.016) 2.512 27.575 ( 0.000 -1.859 1.544) 2.417 36.449 ( -0.000 -7.253 -0.350) 7.262 36.737 ( 0.000 -9.740 10.494) 14.317 36.800 ( -0.000 -4.244 -3.898) 5.763 40.036 ( 0.000 1.013 17.610) 17.639 ======================= Grid point 314 (120/231) ======================= q-point: (-0.15 -0.23 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.986 ( -2.877 -32.481 -19.755) 38.126 3.535 ( 3.624 -30.795 -11.200) 32.968 5.094 ( -14.701 0.049 -0.975) 14.734 5.521 ( 21.698 -29.759 14.322) 39.516 5.911 ( 22.086 -16.815 4.046) 28.051 6.423 ( -0.714 5.843 2.565) 6.421 6.842 ( -6.595 18.647 0.618) 19.788 7.843 ( -5.705 -4.672 3.372) 8.108 7.976 ( 9.294 -23.565 -12.689) 28.332 8.679 ( -3.655 2.458 8.127) 9.244 8.950 ( 10.088 -9.033 3.813) 14.067 9.438 ( -6.264 24.653 -10.115) 27.374 10.091 ( -2.133 -7.122 -3.372) 8.163 10.404 ( 11.283 -0.090 4.098) 12.005 11.326 ( 3.127 6.383 -1.470) 7.259 11.489 ( -1.082 4.282 3.018) 5.349 12.965 ( -6.757 25.342 5.832) 26.868 13.496 ( -28.562 25.756 -18.092) 42.503 17.778 ( -2.735 10.509 5.188) 12.035 18.114 ( -3.263 7.239 -6.530) 10.281 18.544 ( 5.557 -2.990 15.897) 17.103 18.780 ( 2.410 -11.228 0.096) 11.485 20.346 ( 0.099 2.424 -13.783) 13.995 20.936 ( -2.504 9.012 -2.956) 9.809 27.375 ( -0.562 -1.717 -0.644) 1.918 27.574 ( 1.388 -2.755 1.412) 3.392 36.400 ( 3.066 -7.873 0.635) 8.473 36.697 ( -0.140 -6.219 6.253) 8.820 36.829 ( 9.868 -7.078 -2.434) 12.385 40.096 ( -5.424 1.236 21.392) 22.104 ======================= Grid point 327 (121/231) ======================= q-point: (-0.15 -0.15 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.622 ( -0.000 -34.084 -19.605) 39.320 3.070 ( -0.000 -42.339 -15.653) 45.140 4.893 ( -0.000 -65.806 6.726) 66.148 5.272 ( -0.000 -0.329 -10.541) 10.546 5.655 ( 0.000 0.237 19.394) 19.395 6.482 ( -0.000 5.559 -0.951) 5.639 7.120 ( -0.000 20.941 -3.233) 21.189 7.437 ( -0.000 -26.314 -17.364) 31.527 8.035 ( 0.000 -5.017 17.777) 18.471 8.721 ( -0.000 -11.373 -2.455) 11.635 8.817 ( 0.000 5.018 8.969) 10.277 9.686 ( -0.000 26.684 -7.907) 27.831 10.129 ( 0.000 -2.731 5.286) 5.950 10.262 ( 0.000 -0.330 1.101) 1.150 11.352 ( 0.000 5.999 -0.438) 6.015 11.556 ( 0.000 4.637 2.126) 5.101 13.279 ( 0.000 24.939 4.595) 25.358 13.912 ( -0.000 29.610 -22.383) 37.118 17.914 ( 0.000 8.449 4.973) 9.804 18.194 ( -0.000 8.991 -5.590) 10.588 18.542 ( 0.000 -4.706 17.829) 18.439 18.645 ( -0.000 -11.744 -0.063) 11.744 20.290 ( -0.000 2.876 -18.267) 18.492 21.021 ( -0.000 7.984 -2.994) 8.527 27.363 ( -0.000 -1.164 -0.746) 1.382 27.538 ( 0.000 -3.448 1.116) 3.624 36.285 ( 0.000 -11.118 2.441) 11.383 36.673 ( 0.000 -6.771 7.297) 9.955 36.691 ( -0.000 -3.486 -3.230) 4.752 40.260 ( 0.000 0.030 25.086) 25.086 ======================= Grid point 370 (122/231) ======================= q-point: ( 0.15 0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.434 ( 0.000 -0.000 46.393) 46.393 1.434 ( 0.000 -0.000 46.393) 46.393 2.302 ( 0.000 -0.000 74.582) 74.582 5.327 ( 0.000 -0.000 4.456) 4.456 5.327 ( 0.000 -0.000 4.456) 4.456 7.000 ( -0.000 0.000 -8.810) 8.810 7.000 ( -0.000 0.000 -8.810) 8.810 7.866 ( 0.000 -0.000 11.504) 11.504 8.115 ( 0.000 -0.000 1.960) 1.960 8.115 ( 0.000 -0.000 1.960) 1.960 8.882 ( -0.000 0.000 -10.530) 10.530 10.059 ( 0.000 -0.000 4.983) 4.983 10.059 ( 0.000 -0.000 4.983) 4.983 10.814 ( -0.000 0.000 -19.301) 19.301 11.497 ( -0.000 0.000 -4.727) 4.727 11.497 ( -0.000 0.000 -4.727) 4.727 14.182 ( 0.000 -0.000 0.707) 0.707 14.319 ( -0.000 0.000 -2.080) 2.080 18.148 ( 0.000 -0.000 0.810) 0.810 18.148 ( 0.000 -0.000 0.810) 0.810 18.306 ( -0.000 0.000 -0.504) 0.504 18.306 ( -0.000 0.000 -0.504) 0.504 21.362 ( 0.000 -0.000 9.290) 9.290 23.159 ( -0.000 0.000 -6.056) 6.056 27.355 ( 0.000 -0.000 0.253) 0.253 27.389 ( 0.000 -0.000 0.008) 0.008 35.913 ( 0.000 -0.000 2.529) 2.529 35.913 ( 0.000 -0.000 2.529) 2.529 36.523 ( -0.000 0.000 -2.555) 2.555 36.523 ( -0.000 0.000 -2.555) 2.555 ======================= Grid point 371 (123/231) ======================= q-point: ( 0.23 0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.695 ( 14.112 8.148 35.925) 39.448 1.965 ( 11.971 6.911 45.071) 47.143 3.217 ( 46.763 26.998 57.495) 78.875 5.150 ( -8.529 -4.924 -1.443) 9.953 5.607 ( 13.841 7.991 4.914) 16.720 6.897 ( -1.652 -0.954 -5.736) 6.045 7.031 ( 1.197 0.691 -8.779) 8.887 7.618 ( -16.497 -9.524 17.313) 25.741 8.126 ( 4.425 2.555 4.045) 6.517 8.256 ( 3.629 2.095 -0.228) 4.197 8.808 ( -1.202 -0.694 -13.565) 13.635 10.187 ( 12.147 7.013 -1.135) 14.072 10.232 ( 7.054 4.073 9.076) 12.195 10.618 ( -7.781 -4.492 -15.180) 17.640 11.454 ( -3.003 -1.734 -4.142) 5.402 11.460 ( 0.035 0.020 -6.471) 6.471 14.048 ( -12.190 -7.038 -0.327) 14.079 14.211 ( -14.492 -8.367 -4.364) 17.294 18.114 ( -1.011 -0.584 -3.560) 3.746 18.191 ( 1.939 1.120 1.779) 2.860 18.276 ( -0.358 -0.206 -1.780) 1.827 18.354 ( 2.592 1.496 -0.261) 3.004 21.372 ( -3.703 -2.138 9.718) 10.617 22.256 ( -56.856 -32.826 26.959) 70.972 27.351 ( -0.539 -0.311 0.177) 0.647 27.391 ( 0.964 0.557 -0.504) 1.222 36.064 ( 8.678 5.010 4.408) 10.947 36.467 ( -1.141 -0.659 -4.213) 4.414 36.609 ( 6.883 3.974 -0.253) 7.952 37.147 ( 82.639 47.712 -52.490) 108.907 ======================= Grid point 372 (124/231) ======================= q-point: ( 0.31 0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.294 ( 26.085 15.060 21.392) 36.944 2.462 ( 15.992 9.233 35.483) 40.000 4.560 ( 50.474 29.141 38.895) 70.069 5.007 ( -2.337 -1.350 -3.171) 4.164 5.908 ( 11.344 6.549 5.461) 14.191 6.794 ( -7.476 -4.316 -4.073) 9.545 7.019 ( 2.772 1.600 -7.000) 7.697 7.443 ( -7.801 -4.504 13.769) 16.454 8.275 ( 0.524 0.303 -6.971) 6.997 8.337 ( 12.004 6.931 8.045) 16.027 8.682 ( -3.379 -1.951 -18.280) 18.692 10.351 ( -7.579 -4.376 5.066) 10.112 10.441 ( 11.681 6.744 -5.557) 14.587 10.496 ( 7.207 4.161 6.298) 10.436 11.328 ( -7.481 -4.319 -1.525) 8.771 11.434 ( 0.849 0.490 -6.076) 6.155 13.637 ( -34.329 -19.820 -2.506) 39.719 13.688 ( -19.557 -11.291 -2.372) 22.707 18.012 ( -6.772 -3.910 -5.604) 9.620 18.208 ( -2.102 -1.214 2.013) 3.153 18.329 ( 7.076 4.085 -4.874) 9.514 18.429 ( 4.945 2.855 -1.257) 5.847 21.296 ( -7.616 -4.397 8.227) 12.043 21.433 ( -33.401 -19.284 28.046) 47.688 27.335 ( -0.846 -0.488 -0.096) 0.981 27.425 ( 2.445 1.412 -1.480) 3.188 36.295 ( 9.735 5.620 4.849) 12.242 36.436 ( 0.465 0.269 -4.976) 5.005 36.841 ( 14.074 8.125 4.650) 16.903 38.241 ( 45.915 26.509 -59.212) 79.479 ======================= Grid point 373 (125/231) ======================= q-point: ( 0.38 0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.974 ( 28.835 16.648 10.027) 34.772 3.016 ( 21.717 12.538 23.027) 34.045 5.069 ( 9.742 5.625 0.128) 11.250 5.557 ( 22.574 13.033 16.616) 30.912 6.222 ( 17.034 9.835 9.152) 21.695 6.487 ( -18.844 -10.880 -5.550) 22.456 7.088 ( 5.766 3.329 1.642) 6.857 7.455 ( 5.285 3.051 7.374) 9.572 8.239 ( 1.160 0.670 -13.544) 13.610 8.479 ( -6.234 -3.599 -19.784) 21.053 8.670 ( 12.957 7.481 7.510) 16.741 10.182 ( -11.728 -6.771 16.037) 20.991 10.596 ( 5.687 3.284 -10.900) 12.725 10.733 ( 8.204 4.737 9.430) 13.366 11.108 ( -13.271 -7.662 4.767) 16.048 11.452 ( 2.781 1.606 -1.147) 3.410 12.865 ( -32.441 -18.730 -2.499) 37.542 13.236 ( -19.710 -11.379 -3.803) 23.074 17.799 ( -9.600 -5.542 -5.637) 12.436 18.118 ( -6.661 -3.846 0.758) 7.729 18.494 ( 9.979 5.761 -5.208) 12.645 18.539 ( 5.650 3.262 -2.446) 6.968 21.011 ( -18.757 -10.829 19.454) 29.113 21.134 ( -10.353 -5.978 5.530) 13.172 27.321 ( -0.176 -0.102 -0.280) 0.346 27.472 ( 2.555 1.475 -1.921) 3.521 36.439 ( 2.113 1.220 -4.939) 5.508 36.509 ( 7.636 4.409 5.046) 10.159 37.258 ( 20.684 11.942 10.076) 25.922 38.640 ( 18.931 10.930 -48.456) 53.159 ======================= Grid point 374 (126/231) ======================= q-point: ( 0.46 0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.609 ( 27.272 15.745 0.975) 31.506 3.628 ( 26.749 15.444 12.422) 33.292 5.438 ( 22.640 13.071 3.266) 26.346 5.783 ( 0.948 0.547 3.806) 3.960 5.968 ( -24.912 -14.383 -5.182) 29.229 6.449 ( -2.589 -1.495 -2.970) 4.215 7.464 ( 23.629 13.642 16.227) 31.745 7.717 ( 14.757 8.520 4.113) 17.529 8.146 ( -4.018 -2.320 -21.498) 21.993 8.252 ( -5.260 -3.037 -12.052) 13.496 8.802 ( -6.870 -3.967 -2.848) 8.429 9.998 ( -15.125 -8.732 24.540) 30.120 10.563 ( -1.295 -0.747 -4.336) 4.586 10.904 ( 3.972 2.293 5.232) 6.958 10.911 ( -5.696 -3.288 5.153) 8.355 11.521 ( 1.727 0.997 4.726) 5.130 12.331 ( -15.164 -8.755 -3.747) 17.906 12.850 ( -13.819 -7.979 -2.843) 16.209 17.572 ( -8.293 -4.788 -5.413) 11.001 17.945 ( -8.986 -5.188 -0.207) 10.378 18.633 ( 4.458 2.574 -4.340) 6.734 18.692 ( 10.023 5.787 -2.544) 11.850 20.771 ( -11.691 -6.750 12.172) 18.176 20.923 ( -10.787 -6.228 2.949) 12.800 27.332 ( 1.428 0.824 -0.112) 1.653 27.510 ( 1.678 0.969 -1.699) 2.577 36.473 ( 3.117 1.799 -4.378) 5.667 36.673 ( 5.032 2.905 5.563) 8.044 37.804 ( 23.701 13.684 14.086) 30.779 38.643 ( 3.201 1.848 -39.227) 39.401 ======================= Grid point 375 (127/231) ======================= q-point: ( 0.54 0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.156 ( 24.342 14.054 -4.818) 28.518 4.287 ( 30.054 17.351 5.259) 35.099 5.337 ( -24.019 -13.867 -12.736) 30.519 5.785 ( -0.502 -0.290 0.367) 0.686 6.096 ( 28.464 16.434 10.341) 34.456 6.211 ( -14.026 -8.098 -11.059) 19.611 7.892 ( -0.081 -0.047 1.258) 1.261 7.896 ( -8.052 -4.649 -11.384) 14.699 8.094 ( -5.393 -3.113 -14.305) 15.602 8.115 ( 14.408 8.318 14.945) 22.364 8.401 ( -10.891 -6.288 -6.825) 14.308 9.775 ( -17.712 -10.226 27.320) 34.127 10.691 ( 11.265 6.504 6.111) 14.371 10.842 ( -2.484 -1.434 -3.701) 4.682 10.948 ( -1.222 -0.705 -0.369) 1.458 11.550 ( -2.197 -1.268 9.017) 9.367 12.132 ( -2.639 -1.523 -4.394) 5.347 12.607 ( -8.614 -4.974 -1.088) 10.006 17.410 ( -3.883 -2.242 -4.742) 6.526 17.757 ( -7.750 -4.474 0.436) 8.959 18.684 ( 2.794 1.613 -6.452) 7.213 18.892 ( 8.590 4.959 1.126) 9.983 20.615 ( -7.313 -4.222 6.638) 10.741 20.717 ( -9.075 -5.240 1.306) 10.560 27.382 ( 3.076 1.776 0.336) 3.567 27.524 ( 0.222 0.128 -0.950) 0.984 36.521 ( 3.000 1.732 -3.639) 5.024 36.779 ( 2.165 1.250 5.644) 6.173 38.398 ( 23.876 13.785 16.374) 32.066 38.423 ( -6.031 -3.482 -32.491) 33.229 ======================= Grid point 376 (128/231) ======================= q-point: ( 0.62 0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.541 ( 3.646 2.105 -2.962) 5.148 4.845 ( -4.990 -2.881 -15.530) 16.564 4.934 ( 25.404 14.667 4.116) 29.621 5.756 ( -17.343 -10.013 -5.851) 20.863 5.811 ( 2.081 1.201 -19.927) 20.071 6.634 ( 14.331 8.274 -5.624) 17.477 7.392 ( -27.633 -15.954 3.844) 32.139 7.844 ( -10.979 -6.339 -15.031) 19.663 7.857 ( 9.696 5.598 9.346) 14.584 8.388 ( 12.340 7.124 -2.868) 14.535 8.652 ( 13.264 7.658 13.246) 20.250 9.512 ( -19.749 -11.402 27.213) 35.505 10.734 ( -3.803 -2.196 -8.696) 9.742 10.855 ( -5.501 -3.176 -4.768) 7.943 10.999 ( 12.369 7.141 4.195) 14.886 11.488 ( -10.006 -5.777 11.378) 16.215 12.134 ( 4.362 2.519 -5.042) 7.127 12.461 ( -3.578 -2.066 -0.275) 4.141 17.368 ( 1.998 1.154 -3.978) 4.599 17.643 ( -3.192 -1.843 2.793) 4.624 18.695 ( 1.847 1.066 -7.840) 8.125 19.054 ( 4.713 2.721 4.192) 6.870 20.529 ( -2.538 -1.466 2.677) 3.970 20.551 ( -6.733 -3.888 0.427) 7.787 27.461 ( 3.754 2.167 0.750) 4.399 27.510 ( -1.278 -0.738 0.012) 1.475 36.557 ( 1.751 1.011 -2.925) 3.556 36.824 ( -0.438 -0.253 5.340) 5.364 38.083 ( -11.118 -6.419 -27.094) 29.981 38.980 ( 22.130 12.777 16.407) 30.368 ======================= Grid point 377 (129/231) ======================= q-point: (-0.31 0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.165 ( -22.722 -13.119 -1.745) 26.295 5.008 ( -24.774 -14.304 -1.152) 28.630 5.079 ( 19.071 11.011 -15.834) 27.123 5.506 ( 8.563 4.944 -27.625) 29.341 5.923 ( 9.006 5.200 8.756) 13.594 6.647 ( -3.703 -2.138 -12.548) 13.256 7.114 ( 3.556 2.053 1.070) 4.243 7.460 ( -17.601 -10.162 -15.705) 25.685 8.365 ( 24.321 14.042 16.103) 32.373 8.605 ( 9.005 5.199 -2.917) 10.799 8.918 ( 5.439 3.140 11.725) 13.302 9.184 ( -23.859 -13.775 26.267) 38.066 10.596 ( -4.255 -2.457 -9.869) 11.025 10.685 ( -8.525 -4.922 -3.967) 10.613 11.224 ( -15.487 -8.941 5.466) 18.699 11.238 ( 8.459 4.884 0.659) 9.790 12.255 ( 9.536 5.506 -5.878) 12.482 12.498 ( 5.668 3.272 6.503) 9.226 17.447 ( 6.845 3.952 -3.881) 8.805 17.654 ( 2.180 1.259 5.354) 5.917 18.693 ( 1.889 1.090 -8.194) 8.479 19.114 ( -1.671 -0.965 5.144) 5.494 20.426 ( -5.189 -2.996 -0.001) 5.992 20.545 ( 3.305 1.908 0.767) 3.893 27.473 ( -2.236 -1.291 0.842) 2.716 27.540 ( 3.010 1.738 0.831) 3.574 36.562 ( -0.129 -0.074 -2.183) 2.188 36.820 ( -2.236 -1.291 4.973) 5.603 37.689 ( -13.522 -7.807 -22.293) 27.217 39.502 ( 19.062 11.005 13.651) 25.900 ======================= Grid point 378 (130/231) ======================= q-point: (-0.23 0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.664 ( -24.185 -13.963 3.281) 28.119 4.388 ( -28.556 -16.487 -3.581) 33.168 5.370 ( 15.418 8.901 -17.782) 25.163 5.419 ( -6.334 -3.657 -6.211) 9.595 6.261 ( 16.404 9.471 8.855) 20.910 6.488 ( -4.816 -2.781 -10.304) 11.709 6.921 ( -25.547 -14.750 -13.607) 32.486 7.487 ( 28.748 16.598 -13.062) 35.673 8.642 ( -28.383 -16.387 27.445) 42.748 8.744 ( 4.942 2.853 -1.891) 6.012 8.886 ( 5.138 2.966 1.892) 6.227 9.031 ( 1.508 0.871 10.043) 10.193 10.444 ( -10.230 -5.906 -2.703) 12.118 10.451 ( -5.153 -2.975 -8.705) 10.544 11.069 ( 0.405 0.234 4.264) 4.290 11.376 ( 5.135 2.965 -1.651) 6.155 12.493 ( 15.393 8.887 -5.770) 18.687 12.761 ( 13.594 7.849 15.781) 22.258 17.601 ( 8.946 5.165 -4.627) 11.319 17.780 ( 6.357 3.670 6.818) 10.018 18.691 ( 1.688 0.975 -8.743) 8.958 19.037 ( -7.255 -4.189 3.852) 9.220 20.324 ( -4.452 -2.571 0.804) 5.204 20.669 ( 7.332 4.233 0.793) 8.503 27.428 ( -2.354 -1.359 1.267) 2.999 27.590 ( 1.105 0.638 0.452) 1.354 36.529 ( -2.126 -1.228 -1.283) 2.770 36.785 ( -3.081 -1.779 4.641) 5.848 37.287 ( -14.086 -8.133 -17.870) 24.164 39.926 ( 15.027 8.676 7.478) 18.895 ======================= Grid point 379 (131/231) ======================= q-point: (-0.15 0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.152 ( -26.730 -15.433 10.750) 32.683 3.752 ( -31.690 -18.296 6.013) 37.083 5.283 ( -4.845 -2.797 5.160) 7.611 5.538 ( 7.424 4.286 -21.453) 23.102 6.093 ( -35.497 -20.494 -10.728) 42.369 6.463 ( -3.390 -1.957 -4.694) 6.112 6.687 ( 19.763 11.410 3.590) 23.101 7.983 ( 19.880 11.478 -20.002) 30.447 7.995 ( -36.425 -21.030 21.472) 47.224 8.792 ( 1.263 0.729 -3.310) 3.617 8.897 ( -5.580 -3.222 -0.679) 6.479 9.206 ( 12.765 7.370 11.087) 18.444 10.281 ( -6.709 -3.874 -7.117) 10.520 10.297 ( -2.280 -1.316 -4.149) 4.914 11.202 ( 7.190 4.151 4.358) 9.377 11.469 ( 4.691 2.709 -1.897) 5.740 12.851 ( 19.999 11.546 -5.351) 23.704 13.253 ( 22.628 13.064 23.310) 35.015 17.768 ( 8.648 4.993 -5.354) 11.331 17.980 ( 8.522 4.920 6.932) 12.037 18.661 ( -0.262 -0.151 -11.717) 11.721 18.861 ( -9.944 -5.741 1.822) 11.626 20.253 ( -3.042 -1.757 5.414) 6.454 20.846 ( 8.096 4.674 1.646) 9.492 27.388 ( -1.804 -1.042 1.182) 2.395 27.589 ( -1.217 -0.703 -0.302) 1.437 36.451 ( -4.994 -2.883 -0.814) 5.824 36.739 ( -3.205 -1.851 4.162) 5.570 36.920 ( -11.974 -6.913 -13.320) 19.198 40.208 ( 9.723 5.613 -3.786) 11.848 ======================= Grid point 384 (132/231) ======================= q-point: ( 0.23 0.23 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.997 ( 0.000 25.029 34.082) 42.285 2.336 ( 0.000 30.839 41.664) 51.836 3.360 ( 0.000 30.045 63.119) 69.905 5.216 ( -0.000 -3.958 -7.627) 8.593 5.530 ( 0.000 6.063 6.949) 9.222 6.805 ( -0.000 -7.371 -2.023) 7.644 7.109 ( -0.000 14.344 -10.409) 17.723 7.831 ( 0.000 -10.256 22.933) 25.122 7.850 ( -0.000 -17.827 -2.836) 18.051 8.355 ( 0.000 10.813 -1.340) 10.895 8.718 ( -0.000 -4.003 -15.671) 16.174 10.021 ( 0.000 -2.632 7.170) 7.638 10.359 ( 0.000 11.784 8.316) 14.423 10.510 ( -0.000 -9.719 -18.467) 20.869 11.401 ( -0.000 -2.239 -4.828) 5.322 11.470 ( -0.000 1.503 -7.537) 7.685 14.039 ( -0.000 -15.586 -0.603) 15.598 14.362 ( -0.000 7.326 -7.711) 10.636 18.112 ( -0.000 -4.906 -0.229) 4.912 18.121 ( -0.000 -4.014 -0.085) 4.015 18.285 ( -0.000 2.992 -1.685) 3.434 18.372 ( 0.000 3.316 0.235) 3.325 21.426 ( 0.000 -4.396 10.824) 11.683 22.368 ( 0.000 -58.666 18.261) 61.442 27.355 ( 0.000 -0.137 0.270) 0.303 27.388 ( -0.000 0.709 -0.475) 0.853 35.921 ( 0.000 2.455 1.347) 2.800 36.468 ( -0.000 0.526 -3.670) 3.707 36.568 ( -0.000 4.840 -1.563) 5.086 37.076 ( -0.000 89.507 -35.621) 96.335 ======================= Grid point 385 (133/231) ======================= q-point: ( 0.31 0.23 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.470 ( 5.494 34.635 24.836) 42.972 2.710 ( -7.472 23.641 40.963) 47.882 4.331 ( 38.068 32.361 46.958) 68.567 5.039 ( -6.612 -2.663 -8.584) 11.158 5.761 ( 14.540 3.227 3.752) 15.359 6.732 ( 0.010 -8.951 0.639) 8.973 7.108 ( -7.462 8.395 -11.472) 16.055 7.579 ( -6.672 -7.952 6.890) 12.459 8.069 ( 15.061 -4.475 15.801) 22.283 8.398 ( -2.860 8.380 -6.379) 10.913 8.586 ( -0.615 -4.813 -18.884) 19.497 10.157 ( 11.731 -2.421 5.741) 13.283 10.334 ( 1.141 -11.087 -9.594) 14.706 10.528 ( 4.151 7.297 9.894) 12.976 11.369 ( 0.015 -0.540 -3.554) 3.595 11.413 ( -2.611 0.552 -8.003) 8.436 13.769 ( -10.383 -21.180 -2.167) 23.687 14.106 ( -31.305 -0.210 -6.169) 31.908 18.043 ( -4.002 -3.479 -3.135) 6.160 18.129 ( 8.922 -7.403 -1.798) 11.731 18.277 ( -4.005 3.054 0.173) 5.040 18.431 ( 2.817 5.310 -0.875) 6.074 21.391 ( -4.572 -6.801 9.857) 12.819 21.761 ( -21.843 -39.671 22.504) 50.570 27.349 ( -0.890 0.059 0.161) 0.907 27.405 ( 1.232 1.872 -1.264) 2.573 36.117 ( 15.584 1.618 1.824) 15.773 36.436 ( -1.966 2.216 -4.245) 5.177 36.710 ( 10.994 6.247 1.591) 12.744 37.833 ( 21.155 63.325 -45.796) 80.962 ======================= Grid point 386 (134/231) ======================= q-point: ( 0.38 0.23 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.006 ( 1.078 30.295 24.627) 39.057 3.078 ( 11.462 25.303 22.798) 35.935 4.932 ( 5.343 -1.793 -4.009) 6.917 5.405 ( 29.501 19.468 27.312) 44.668 6.052 ( 16.851 3.685 2.592) 17.443 6.609 ( -7.495 -10.052 1.061) 12.583 6.964 ( 0.402 -4.669 -9.232) 10.353 7.531 ( -2.580 3.576 6.018) 7.461 8.265 ( -3.976 10.118 -3.930) 11.559 8.399 ( -0.274 -5.580 -17.433) 18.306 8.516 ( 13.046 2.978 2.752) 13.662 10.212 ( 1.779 -12.892 4.183) 13.670 10.368 ( 10.824 -3.462 1.127) 11.420 10.728 ( 7.161 3.927 10.968) 13.675 11.274 ( -8.041 -0.106 -5.136) 9.542 11.413 ( 3.451 2.199 -1.795) 4.468 13.301 ( -25.982 -20.559 -2.788) 33.249 13.425 ( -34.334 -8.830 -2.728) 35.556 17.869 ( -8.634 -6.241 -3.732) 11.288 18.185 ( -1.921 -3.798 -3.349) 5.416 18.282 ( 9.197 0.550 -0.482) 9.226 18.538 ( 3.414 7.484 -2.366) 8.559 21.254 ( -9.026 -9.272 7.756) 15.086 21.258 ( -16.969 -21.743 17.926) 32.895 27.334 ( -1.090 0.618 0.026) 1.253 27.444 ( 1.970 2.358 -1.927) 3.627 36.381 ( 11.754 1.381 2.064) 12.013 36.425 ( 1.478 3.439 -3.997) 5.476 37.057 ( 20.387 8.549 7.001) 23.189 38.346 ( 12.863 35.789 -43.802) 58.008 ======================= Grid point 387 (135/231) ======================= q-point: ( 0.46 0.23 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.409 ( 10.796 17.132 17.399) 26.698 3.665 ( 13.475 35.134 8.058) 38.482 5.116 ( 20.093 -1.788 0.353) 20.176 5.821 ( 3.864 2.191 10.226) 11.149 6.141 ( -12.542 -16.569 -2.844) 20.975 6.446 ( 0.674 1.896 -3.971) 4.452 7.155 ( 25.348 3.110 3.281) 25.748 7.602 ( 5.702 -0.280 5.593) 7.992 8.184 ( -6.298 7.543 -19.254) 21.616 8.276 ( -3.048 4.767 -12.211) 13.459 8.766 ( 5.205 -0.282 6.420) 8.269 10.131 ( -1.881 -14.387 14.367) 20.419 10.486 ( 6.744 -0.560 0.053) 6.767 10.904 ( 4.421 -0.252 8.753) 9.809 11.091 ( -12.268 2.757 -2.433) 12.807 11.502 ( 4.119 1.185 2.516) 4.969 12.583 ( -31.821 -12.986 -0.431) 34.371 12.960 ( -14.003 -12.787 -2.667) 19.150 17.643 ( -9.267 -5.581 -3.868) 11.489 18.041 ( -8.231 -4.222 -1.919) 9.448 18.471 ( 12.411 0.800 -2.250) 12.639 18.646 ( 3.601 7.051 -3.594) 8.695 20.939 ( -12.056 -13.444 12.770) 22.117 21.043 ( -10.367 -8.761 3.992) 14.148 27.334 ( -0.087 1.661 0.155) 1.670 27.487 ( 1.785 2.060 -1.991) 3.375 36.440 ( 1.475 3.920 -4.001) 5.793 36.602 ( 9.443 1.182 3.407) 10.108 37.571 ( 25.967 9.614 11.325) 29.917 38.500 ( 1.106 19.052 -37.259) 41.862 ======================= Grid point 388 (136/231) ======================= q-point: ( 0.54 0.23 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.850 ( 18.801 13.502 4.227) 23.530 4.232 ( 14.427 33.935 0.521) 36.878 5.348 ( 4.935 -16.406 -9.966) 19.820 5.702 ( -6.056 -12.499 12.506) 18.690 6.006 ( 4.801 8.526 6.915) 11.982 6.352 ( -6.169 1.521 -12.000) 13.578 7.525 ( 17.762 -8.681 -11.035) 22.642 7.707 ( 9.509 -16.183 -0.536) 18.777 8.159 ( -0.920 16.912 -7.696) 18.604 8.260 ( 3.890 6.488 -4.651) 8.880 8.623 ( -23.133 0.596 3.481) 23.401 10.021 ( -7.255 -13.215 19.195) 24.407 10.636 ( 8.139 6.004 4.594) 11.108 10.860 ( -6.471 -4.295 1.094) 7.843 11.016 ( -4.523 5.268 1.010) 7.016 11.561 ( 2.043 -3.446 5.024) 6.426 12.145 ( -9.352 -9.128 -0.971) 13.105 12.683 ( -8.362 -7.732 -0.580) 11.404 17.452 ( -6.687 -2.651 -3.524) 8.010 17.849 ( -8.626 -4.428 -1.344) 9.789 18.623 ( 4.914 2.587 -4.138) 6.926 18.779 ( 9.127 3.994 -1.410) 10.062 20.726 ( -8.560 -8.365 7.791) 14.281 20.817 ( -9.545 -7.422 1.704) 12.210 27.368 ( 1.563 2.759 0.536) 3.216 27.516 ( 0.867 1.235 -1.440) 2.085 36.489 ( 2.034 4.191 -3.361) 5.745 36.751 ( 5.773 0.119 4.088) 7.075 38.149 ( 25.698 8.152 10.373) 28.887 38.407 ( -5.984 10.316 -27.571) 30.039 ======================= Grid point 389 (137/231) ======================= q-point: ( 0.62 0.23 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.281 ( 21.780 8.153 -7.443) 24.418 4.753 ( 10.765 22.139 -3.335) 24.842 4.937 ( -12.508 -12.575 -9.801) 20.265 5.717 ( 5.235 -10.206 14.558) 18.534 5.909 ( -16.826 -2.458 -16.274) 23.537 6.514 ( 11.711 14.835 -3.637) 19.247 7.416 ( -7.126 -28.763 -10.912) 31.578 7.654 ( 16.143 -6.502 -4.688) 18.023 8.130 ( -20.891 5.832 -3.205) 21.925 8.337 ( 3.579 12.296 -4.376) 13.533 8.618 ( 8.188 13.771 15.603) 22.363 9.833 ( -14.182 -12.118 23.044) 29.648 10.722 ( -3.535 -4.956 -4.907) 7.819 10.828 ( 2.709 -0.746 0.125) 2.813 10.995 ( -0.813 8.687 1.941) 8.938 11.555 ( -0.475 -9.510 8.159) 12.540 12.046 ( 2.660 -3.299 -1.808) 4.607 12.502 ( -6.116 -4.941 -1.142) 7.945 17.354 ( -2.029 0.709 -3.395) 4.018 17.700 ( -4.789 -2.602 1.285) 5.599 18.656 ( 0.634 3.059 -7.029) 7.692 18.971 ( 9.876 1.257 2.402) 10.241 20.583 ( -5.157 -4.499 3.898) 7.876 20.626 ( -7.362 -5.300 0.576) 9.090 27.436 ( 2.717 3.153 0.770) 4.233 27.522 ( -0.393 0.360 -0.436) 0.688 36.540 ( 1.318 3.728 -2.545) 4.703 36.832 ( 2.330 -0.922 4.128) 4.828 38.114 ( -12.473 2.681 -25.917) 28.887 38.771 ( 25.570 8.651 14.336) 30.564 ======================= Grid point 390 (138/231) ======================= q-point: (-0.31 0.23 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.394 ( -18.387 -15.572 -4.732) 24.555 4.565 ( 13.971 -5.749 -14.177) 20.718 5.142 ( 4.896 -4.253 1.240) 6.602 5.593 ( -10.985 31.279 -36.046) 48.973 5.849 ( 9.131 -1.412 18.598) 20.767 6.615 ( -0.688 0.508 -12.133) 12.163 6.986 ( -3.635 -25.239 -3.401) 25.725 7.726 ( -19.188 4.522 -7.606) 21.130 8.165 ( 23.503 13.833 8.299) 28.506 8.522 ( 6.672 9.613 -2.820) 12.037 8.918 ( 7.377 5.701 12.700) 15.754 9.580 ( -19.824 -10.959 26.939) 35.197 10.586 ( -4.022 -3.956 -7.532) 9.411 10.734 ( -5.111 -3.478 -3.848) 7.282 11.138 ( 3.807 1.246 1.771) 4.380 11.412 ( -8.555 -10.162 7.259) 15.138 12.083 ( 7.139 -2.414 -5.312) 9.220 12.449 ( 3.932 -0.068 1.916) 4.374 17.362 ( 3.524 1.999 -3.818) 5.567 17.674 ( 0.547 1.099 4.687) 4.845 18.651 ( 0.382 2.988 -8.197) 8.733 19.109 ( 4.364 -1.381 4.101) 6.146 20.484 ( -5.515 -3.509 0.268) 6.542 20.529 ( 0.063 -0.636 1.465) 1.599 27.486 ( -0.369 -0.588 -0.001) 0.694 27.533 ( 1.478 2.920 1.211) 3.490 36.568 ( -0.364 2.654 -1.697) 3.171 36.855 ( -0.367 -1.526 3.867) 4.174 37.772 ( -15.891 0.017 -21.164) 26.466 39.307 ( 23.252 6.199 11.928) 26.858 ======================= Grid point 391 (139/231) ======================= q-point: (-0.23 0.23 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.941 ( -22.074 -11.871 4.363) 25.440 4.389 ( -4.332 -25.835 -13.777) 29.597 5.111 ( 2.132 -2.157 -0.906) 3.166 5.675 ( -4.616 32.349 -28.073) 43.080 6.121 ( 11.103 1.952 13.404) 17.514 6.499 ( -4.108 -0.059 -10.961) 11.706 6.878 ( 9.891 -13.818 -9.120) 19.286 7.423 ( -14.058 10.228 -4.909) 18.065 8.632 ( 11.728 3.254 -5.126) 13.206 8.720 ( 11.867 7.821 6.308) 15.549 9.089 ( 0.887 4.120 8.712) 9.678 9.222 ( -29.519 -11.680 26.937) 41.634 10.435 ( -6.135 -5.687 -5.538) 10.032 10.591 ( -8.374 -0.800 -3.283) 9.030 11.055 ( -0.711 -7.981 3.718) 8.833 11.371 ( 0.316 5.585 -0.266) 5.601 12.220 ( 17.290 -2.553 -5.712) 18.387 12.624 ( 13.319 0.042 8.916) 16.028 17.458 ( 8.363 1.756 -4.341) 9.584 17.771 ( 4.355 3.960 6.525) 8.788 18.646 ( 0.651 3.262 -9.001) 9.596 19.112 ( -3.389 -3.766 3.425) 6.116 20.380 ( -4.497 -2.260 1.150) 5.163 20.594 ( 5.948 2.266 0.935) 6.433 27.453 ( -1.899 -1.622 0.673) 2.587 27.590 ( 1.064 2.448 0.614) 2.739 36.559 ( -2.269 1.159 -0.770) 2.661 36.838 ( -2.055 -1.547 3.323) 4.202 37.404 ( -17.173 -0.792 -16.143) 23.582 39.742 ( 19.089 3.442 5.862) 20.264 ======================= Grid point 392 (140/231) ======================= q-point: (-0.15 0.23 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.482 ( -25.386 -14.061 12.103) 31.443 3.986 ( -14.353 -18.859 -0.231) 23.700 5.106 ( 3.899 -8.808 -0.969) 9.681 5.715 ( -9.064 25.991 -19.278) 33.605 6.345 ( 4.944 -0.682 -2.345) 5.515 6.417 ( -2.844 -1.957 -10.341) 10.903 6.617 ( -13.895 -0.679 0.144) 13.912 7.626 ( 21.347 10.008 -10.954) 25.997 8.608 ( -42.451 -15.971 24.973) 51.776 8.693 ( 3.626 -4.451 -5.146) 7.710 8.983 ( 7.264 7.908 5.423) 12.030 9.143 ( -0.376 0.629 1.408) 1.587 10.238 ( -7.091 -6.774 -0.296) 9.811 10.461 ( -7.206 5.655 -5.726) 10.802 11.154 ( 7.629 4.930 5.061) 10.398 11.426 ( 2.280 3.474 -2.578) 4.891 12.538 ( 24.639 2.343 -5.038) 25.257 12.971 ( 25.204 -4.891 16.184) 30.350 17.609 ( 10.730 1.906 -5.071) 12.021 17.935 ( 6.725 3.788 7.079) 10.473 18.629 ( -0.951 3.476 -11.340) 11.899 18.981 ( -8.840 -4.594 1.468) 10.070 20.316 ( -2.919 -0.959 4.850) 5.741 20.751 ( 8.921 3.037 1.658) 9.569 27.410 ( -1.823 -1.650 0.878) 2.611 27.609 ( -1.035 1.066 -0.383) 1.534 36.508 ( -4.259 -0.525 -0.020) 4.292 36.796 ( -2.946 -1.721 1.314) 3.656 37.056 ( -16.914 0.801 -9.835) 19.582 40.029 ( 13.310 0.184 -4.517) 14.057 ======================= Grid point 398 (141/231) ======================= q-point: ( 0.31 0.31 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.850 ( 0.000 31.785 23.847) 39.736 3.330 ( 0.000 32.002 36.239) 48.347 4.535 ( 0.000 34.457 45.543) 57.109 5.014 ( -0.000 -3.355 -16.848) 17.179 5.640 ( 0.000 -1.693 2.406) 2.942 6.672 ( 0.000 -9.383 4.634) 10.465 7.121 ( -0.000 -8.432 -16.483) 18.514 7.581 ( -0.000 1.549 -0.828) 1.757 8.051 ( 0.000 5.320 27.322) 27.835 8.442 ( -0.000 -4.642 -18.888) 19.449 8.489 ( -0.000 9.431 -5.866) 11.107 10.098 ( -0.000 -7.799 -6.217) 9.974 10.151 ( 0.000 -3.661 5.049) 6.237 10.590 ( 0.000 1.510 12.636) 12.726 11.346 ( -0.000 0.275 -2.068) 2.086 11.391 ( -0.000 -0.418 -9.971) 9.979 13.604 ( -0.000 -27.900 -3.479) 28.116 14.356 ( -0.000 0.837 -10.634) 10.667 17.950 ( -0.000 -10.270 -2.178) 10.499 18.031 ( -0.000 -4.108 -1.651) 4.428 18.389 ( -0.000 9.470 -2.253) 9.734 18.409 ( 0.000 -0.088 1.347) 1.349 21.404 ( 0.000 -9.350 9.747) 13.506 21.638 ( 0.000 -40.710 18.776) 44.832 27.361 ( 0.000 0.635 0.305) 0.704 27.406 ( -0.000 2.255 -1.672) 2.807 36.023 ( 0.000 7.297 0.089) 7.297 36.481 ( -0.000 3.911 -1.489) 4.185 36.664 ( 0.000 6.341 -0.134) 6.343 38.084 ( -0.000 60.515 -38.544) 71.747 ======================= Grid point 399 (142/231) ======================= q-point: ( 0.38 0.31 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.301 ( 6.405 28.231 20.313) 35.364 3.619 ( -16.043 31.844 32.116) 47.988 4.865 ( -3.008 -0.673 -13.962) 14.298 5.281 ( 23.766 20.465 32.347) 45.055 5.749 ( 17.618 -4.476 -6.337) 19.251 6.584 ( -1.753 -10.932 4.823) 12.077 6.893 ( -3.350 -12.751 -7.369) 15.103 7.617 ( -1.429 5.747 -2.617) 6.474 8.233 ( 1.135 -2.880 -6.090) 6.832 8.391 ( 5.233 5.439 -11.437) 13.703 8.529 ( -5.004 19.052 12.951) 23.575 9.980 ( 7.956 -16.303 -6.370) 19.227 10.273 ( 4.112 3.129 10.863) 12.029 10.695 ( 5.175 -2.226 14.234) 15.308 11.309 ( -2.513 -0.960 -9.470) 9.845 11.371 ( 2.647 1.549 -1.017) 3.231 13.249 ( -7.032 -29.537 -4.645) 30.715 13.995 ( -33.347 -5.276 -7.851) 34.663 17.878 ( -0.086 -12.402 -0.688) 12.421 17.993 ( 5.107 -1.144 -6.823) 8.599 18.345 ( -5.239 1.588 2.402) 5.978 18.530 ( 4.250 7.846 -2.399) 9.240 21.311 ( -7.289 -23.159 12.990) 27.535 21.312 ( -6.076 -17.234 10.276) 20.965 27.362 ( -1.051 1.181 0.292) 1.608 27.432 ( 1.319 2.758 -2.234) 3.787 36.199 ( 11.438 6.094 -0.502) 12.970 36.473 ( -3.588 5.070 -1.716) 6.444 36.868 ( 15.001 7.340 4.081) 17.192 38.423 ( 2.148 44.234 -35.341) 56.659 ======================= Grid point 400 (143/231) ======================= q-point: ( 0.46 0.31 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.674 ( -2.853 18.385 23.491) 29.966 3.940 ( 2.109 39.765 15.361) 42.681 4.830 ( 8.101 -2.903 -7.647) 11.512 5.710 ( 17.264 -9.176 2.061) 19.660 5.977 ( 6.488 -5.972 -1.288) 8.912 6.459 ( -4.407 -10.639 4.021) 12.198 6.908 ( 13.612 7.330 6.572) 16.800 7.560 ( -3.208 -5.752 -5.796) 8.773 8.127 ( 0.750 -5.222 -14.548) 15.475 8.356 ( -4.661 13.248 -19.405) 23.954 8.876 ( 1.772 22.597 22.654) 32.046 9.960 ( 8.956 -18.243 3.133) 20.563 10.417 ( 4.737 3.207 7.210) 9.203 10.839 ( 6.548 -5.280 13.603) 15.993 11.211 ( -3.478 1.814 -8.157) 9.051 11.441 ( 4.366 0.189 0.182) 4.374 12.813 ( -12.444 -26.328 -2.806) 29.256 13.266 ( -39.573 -7.132 -3.624) 40.373 17.705 ( -6.685 -9.035 -0.524) 11.251 18.038 ( 2.967 -3.056 -9.248) 10.181 18.335 ( 3.081 1.468 3.600) 4.961 18.644 ( 2.564 7.722 -3.677) 8.929 21.017 ( -8.446 -18.937 11.471) 23.697 21.125 ( -8.347 -11.501 4.657) 14.955 27.361 ( -0.801 1.925 0.447) 2.132 27.471 ( 1.606 2.852 -2.494) 4.115 36.436 ( 10.714 3.421 0.113) 11.248 36.473 ( -0.049 5.570 -2.714) 6.197 37.294 ( 23.892 7.709 9.154) 26.721 38.585 ( -3.855 29.326 -30.967) 42.823 ======================= Grid point 401 (144/231) ======================= q-point: ( 0.54 0.31 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.903 ( 0.423 17.689 12.935) 21.918 4.434 ( 4.120 38.351 4.963) 38.890 4.951 ( 16.976 -15.439 -3.530) 23.217 5.811 ( -8.607 -11.969 5.880) 15.872 5.931 ( 16.663 -0.391 2.105) 16.800 6.307 ( -3.314 -7.615 -4.935) 9.660 7.236 ( 6.482 2.237 -6.954) 9.766 7.408 ( 5.368 -16.091 -6.531) 18.177 8.077 ( 8.666 -5.123 -5.891) 11.664 8.347 ( -4.307 18.812 -14.261) 23.996 9.075 ( -14.708 18.780 14.889) 28.119 9.940 ( 5.988 -18.801 9.358) 21.838 10.571 ( 6.584 2.446 4.943) 8.589 10.889 ( 0.583 -5.151 3.557) 6.287 11.175 ( -4.339 7.110 -0.631) 8.353 11.491 ( 3.641 -4.095 0.552) 5.507 12.308 ( -21.512 -17.923 4.644) 28.383 12.751 ( -13.522 -7.408 -2.860) 15.681 17.526 ( -6.673 -4.669 -0.007) 8.144 17.919 ( -6.536 -4.156 -6.083) 9.848 18.499 ( 11.163 2.086 1.113) 11.411 18.716 ( 1.634 5.508 -4.712) 7.430 20.798 ( -7.010 -12.114 7.534) 15.895 20.897 ( -8.919 -9.897 2.044) 13.479 27.383 ( 0.497 2.862 0.821) 3.019 27.506 ( 1.126 2.271 -2.199) 3.355 36.503 ( 0.262 5.983 -2.014) 6.318 36.637 ( 9.474 1.011 0.314) 9.533 37.839 ( 27.722 6.595 11.583) 30.759 38.543 ( -10.525 18.569 -25.651) 33.370 ======================= Grid point 402 (145/231) ======================= q-point: ( 0.62 0.31 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.136 ( 5.110 13.770 -1.984) 14.821 4.748 ( 7.486 0.775 -9.084) 11.796 4.968 ( -3.990 8.068 1.279) 9.091 5.676 ( -1.709 -10.114 23.339) 25.494 6.075 ( -10.088 -0.739 -2.634) 10.452 6.388 ( 20.064 12.142 -9.510) 25.307 7.127 ( 3.226 -16.453 -19.336) 25.593 7.280 ( 7.363 -17.187 -10.374) 21.383 8.258 ( 9.760 0.648 6.849) 11.941 8.409 ( -2.366 17.519 -10.113) 20.366 8.971 ( -20.908 15.756 12.079) 28.833 9.886 ( 1.075 -17.370 12.340) 21.334 10.650 ( 2.482 -6.566 -0.953) 7.084 10.869 ( -1.637 1.972 -0.841) 2.697 11.152 ( -6.864 7.830 2.770) 10.775 11.473 ( -0.064 -9.731 2.738) 10.110 12.004 ( -3.527 -7.783 6.835) 10.943 12.538 ( -5.789 -6.838 -2.223) 9.231 17.413 ( -4.979 0.510 -0.234) 5.010 17.749 ( -5.364 -4.252 -2.459) 7.274 18.656 ( 1.831 5.312 -4.112) 6.962 18.803 ( 10.252 -0.180 -0.401) 10.262 20.637 ( -5.364 -7.221 4.281) 9.962 20.691 ( -7.294 -7.059 0.601) 10.168 27.437 ( 1.765 3.472 1.011) 4.024 27.525 ( 0.266 1.216 -1.323) 1.817 36.558 ( 0.628 5.672 -1.645) 5.939 36.767 ( 6.030 -0.623 0.910) 6.130 38.263 ( -5.892 10.038 -12.967) 17.424 38.492 ( 18.248 5.980 4.125) 19.641 ======================= Grid point 403 (146/231) ======================= q-point: (-0.31 0.31 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.199 ( 0.360 -4.902 -14.547) 15.355 4.669 ( -4.690 -2.820 -0.745) 5.523 5.002 ( -2.442 -2.396 0.713) 3.494 5.811 ( 5.727 -0.863 23.140) 23.854 5.912 ( -8.485 25.098 -19.444) 32.863 6.540 ( 1.298 -3.339 -10.193) 10.804 6.781 ( -6.023 -21.361 -16.146) 27.446 7.615 ( 33.077 4.952 -2.621) 33.549 8.263 ( -13.545 8.260 1.514) 15.937 8.527 ( 4.052 10.221 -2.273) 11.227 8.966 ( -1.495 7.862 11.510) 14.019 9.782 ( -4.268 -14.476 17.131) 22.831 10.568 ( -1.992 -5.944 -3.407) 7.135 10.798 ( -7.209 0.325 -2.175) 7.537 11.170 ( -1.940 4.713 1.868) 5.429 11.343 ( -0.102 -17.915 3.891) 18.333 12.000 ( 0.691 -1.948 2.291) 3.085 12.411 ( -0.863 -3.293 -1.339) 3.658 17.360 ( -2.762 2.804 -2.625) 4.731 17.682 ( 0.927 -2.064 3.167) 3.892 18.659 ( -1.801 5.243 -7.529) 9.350 18.985 ( 10.621 -2.348 2.810) 11.235 20.535 ( -4.273 -3.854 0.854) 5.818 20.544 ( -3.442 -3.526 1.327) 5.103 27.492 ( 0.053 1.798 -0.395) 1.842 27.539 ( 1.364 1.620 0.905) 2.304 36.603 ( -0.433 4.642 -1.038) 4.776 36.832 ( 2.806 -1.500 0.951) 3.321 38.003 ( -19.507 8.031 -15.997) 26.475 38.990 ( 26.855 1.368 9.686) 28.581 ======================= Grid point 404 (147/231) ======================= q-point: (-0.23 0.31 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.017 ( -2.587 -10.552 -7.742) 13.341 4.401 ( -24.155 -7.789 3.518) 25.622 4.985 ( 8.962 -7.733 -3.142) 12.247 5.887 ( -2.448 21.269 -11.994) 24.540 6.161 ( -1.767 17.802 -1.657) 17.966 6.471 ( 12.282 -8.539 -4.663) 15.669 6.517 ( -0.202 -6.794 -9.955) 12.054 7.791 ( -17.410 6.073 -0.993) 18.466 8.393 ( 18.063 7.468 -5.928) 20.425 8.672 ( 5.593 4.790 3.642) 8.215 9.096 ( 4.580 3.053 5.357) 7.681 9.636 ( -14.016 -10.881 22.446) 28.613 10.470 ( -4.294 -1.954 -1.066) 4.836 10.672 ( -5.915 -0.847 -2.775) 6.588 11.030 ( -6.012 -10.708 3.701) 12.826 11.345 ( 7.856 -4.288 1.686) 9.108 11.969 ( 1.933 -2.578 -5.495) 6.370 12.469 ( 8.611 -1.804 3.953) 9.646 17.362 ( 2.480 2.392 -3.818) 5.143 17.753 ( 4.935 0.247 6.289) 7.998 18.645 ( -1.038 5.555 -8.527) 10.230 19.090 ( 3.655 -4.066 2.525) 6.023 20.434 ( -4.112 -2.238 0.870) 4.762 20.537 ( 2.903 0.118 1.022) 3.080 27.473 ( -1.911 -0.489 -0.227) 1.986 27.596 ( 1.737 2.163 0.850) 2.902 36.614 ( -2.317 2.984 -0.360) 3.795 36.845 ( 0.315 -1.725 0.327) 1.783 37.675 ( -20.838 6.896 -10.476) 24.321 39.433 ( 23.246 -1.692 4.183) 23.680 ======================= Grid point 405 (148/231) ======================= q-point: (-0.15 0.31 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.847 ( -21.480 -6.725 12.715) 25.851 3.961 ( -7.679 -10.470 0.079) 12.985 5.022 ( 2.266 -4.588 -1.763) 5.412 5.994 ( -4.107 25.023 -20.562) 32.647 6.098 ( 4.254 -9.494 -6.586) 12.312 6.452 ( -1.408 7.172 -9.149) 11.709 6.769 ( 7.967 6.939 5.433) 11.881 7.559 ( -10.560 7.844 -3.723) 13.672 8.553 ( 5.590 -2.432 -9.377) 11.184 8.842 ( 8.641 -6.543 12.650) 16.659 9.172 ( -2.260 0.157 -3.605) 4.258 9.272 ( -28.629 -5.653 16.524) 33.535 10.358 ( -9.562 0.069 4.164) 10.429 10.564 ( -4.464 1.673 -3.708) 6.039 11.084 ( 10.954 4.353 7.373) 13.903 11.410 ( 2.491 -1.353 -1.157) 3.062 12.069 ( 21.419 -7.138 -4.638) 23.048 12.652 ( 14.420 -5.304 7.088) 16.921 17.447 ( 7.704 2.228 -4.200) 9.052 17.884 ( 6.612 -0.284 7.063) 9.679 18.638 ( -1.279 6.216 -10.076) 11.908 19.050 ( -3.998 -4.718 0.655) 6.219 20.375 ( -2.640 -0.682 3.442) 4.391 20.641 ( 7.814 1.360 1.346) 8.045 27.431 ( -2.189 -1.093 0.234) 2.458 27.628 ( -0.014 1.027 -0.317) 1.074 36.580 ( -4.138 1.234 0.239) 4.325 36.813 ( -1.852 -2.028 -1.747) 3.255 37.373 ( -20.321 8.393 -3.378) 22.243 39.734 ( 17.553 -4.851 -4.943) 18.870 ======================= Grid point 412 (149/231) ======================= q-point: ( 0.38 0.38 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.578 ( 0.000 22.832 15.189) 27.423 4.204 ( 0.000 22.841 31.349) 38.788 4.804 ( -0.000 -0.393 -12.556) 12.562 5.386 ( -0.000 -19.506 -16.287) 25.412 5.529 ( 0.000 32.029 27.491) 42.210 6.517 ( 0.000 -13.501 6.279) 14.890 6.771 ( -0.000 -9.841 0.082) 9.841 7.624 ( -0.000 -1.676 -8.843) 9.001 8.279 ( -0.000 2.884 -7.390) 7.933 8.308 ( -0.000 11.483 -13.430) 17.670 8.887 ( 0.000 27.584 24.378) 36.813 9.687 ( -0.000 -18.420 -9.336) 20.651 10.354 ( 0.000 4.484 14.172) 14.865 10.682 ( 0.000 -5.369 13.811) 14.818 11.263 ( -0.000 -1.758 -10.542) 10.688 11.358 ( 0.000 0.938 0.964) 1.345 12.983 ( -0.000 -31.593 -6.288) 32.212 14.155 ( -0.000 -10.865 -11.088) 15.524 17.710 ( -0.000 -11.958 -3.299) 12.405 17.945 ( -0.000 -2.330 -3.340) 4.072 18.402 ( 0.000 -2.671 2.673) 3.779 18.574 ( -0.000 12.868 -2.909) 13.193 21.177 ( 0.000 -26.707 12.479) 29.478 21.274 ( 0.000 -13.322 6.646) 14.888 27.389 ( 0.000 1.942 0.446) 1.993 27.432 ( -0.000 2.771 -2.657) 3.840 36.176 ( -0.000 9.483 -1.595) 9.616 36.587 ( 0.000 5.887 4.042) 7.141 36.794 ( 0.000 6.886 0.912) 6.946 38.648 ( -0.000 39.225 -29.967) 49.362 ======================= Grid point 413 (150/231) ======================= q-point: ( 0.46 0.38 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.894 ( 7.872 16.859 11.088) 21.659 4.368 ( -8.449 8.368 21.374) 24.459 4.819 ( -3.812 13.730 -4.548) 14.957 5.179 ( 15.258 -22.202 -17.564) 32.160 5.994 ( 3.436 15.360 18.099) 23.985 6.403 ( -1.073 -14.081 5.435) 15.132 6.822 ( 10.331 3.733 8.616) 13.960 7.504 ( -2.421 -8.195 -11.505) 14.331 8.092 ( -10.855 -1.472 -14.180) 17.918 8.441 ( 1.595 16.348 -13.543) 21.289 9.279 ( -2.391 31.403 26.112) 40.911 9.593 ( 12.115 -17.672 -4.271) 21.847 10.456 ( 0.262 2.688 11.062) 11.387 10.752 ( 5.872 -6.764 14.663) 17.182 11.190 ( -0.034 -0.747 -9.197) 9.228 11.391 ( 2.142 0.064 0.839) 2.301 12.641 ( -2.881 -28.013 -5.707) 28.733 13.727 ( -28.115 -14.673 -8.952) 32.953 17.622 ( 2.921 -12.903 -1.588) 13.324 17.921 ( 2.169 0.557 -6.991) 7.341 18.366 ( -2.191 -2.665 4.088) 5.349 18.690 ( 0.698 12.302 -3.446) 12.795 20.980 ( -3.454 -20.054 9.393) 22.412 21.135 ( -4.543 -13.860 4.389) 15.232 27.398 ( -1.160 2.175 0.363) 2.492 27.461 ( 1.515 3.123 -2.671) 4.380 36.318 ( 7.343 7.838 -2.179) 10.959 36.585 ( -5.909 6.190 2.346) 8.873 37.052 ( 18.542 6.273 6.248) 20.547 38.802 ( -4.508 30.557 -25.650) 40.150 ======================= Grid point 414 (151/231) ======================= q-point: ( 0.54 0.38 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.158 ( -2.007 12.361 11.602) 17.071 4.508 ( 18.007 -12.686 0.713) 22.039 4.824 ( -6.820 22.126 5.900) 23.893 5.364 ( 28.078 -2.239 -12.500) 30.817 6.037 ( -12.041 -1.071 16.179) 20.197 6.274 ( -2.280 -14.021 5.541) 15.247 7.117 ( 9.968 -3.514 -3.417) 11.108 7.306 ( -8.653 0.822 -8.762) 12.342 7.885 ( 2.667 -3.356 -9.787) 10.685 8.519 ( -3.100 18.037 -12.377) 22.094 9.587 ( -9.823 26.425 18.103) 33.504 9.618 ( 11.669 -19.351 1.920) 22.679 10.534 ( 2.449 -0.620 6.491) 6.965 10.819 ( 2.729 -7.180 5.892) 9.681 11.220 ( 5.496 4.217 -0.999) 6.999 11.412 ( 0.909 -1.419 -0.492) 1.756 12.337 ( -4.546 -22.004 0.667) 22.479 13.044 ( -31.043 -12.141 -5.776) 33.829 17.527 ( -0.362 -10.322 1.591) 10.450 17.914 ( -0.816 0.740 -10.498) 10.556 18.376 ( 4.982 -2.120 5.283) 7.565 18.771 ( -1.674 10.471 -4.384) 11.475 20.801 ( -4.085 -13.746 6.432) 15.717 20.933 ( -6.775 -12.259 2.031) 14.153 27.409 ( -0.171 2.291 0.749) 2.416 27.501 ( 1.198 3.194 -2.587) 4.281 36.502 ( 8.828 4.594 -1.850) 10.123 36.578 ( -2.920 6.362 0.657) 7.031 37.509 ( 25.761 4.340 10.213) 28.049 38.802 ( -11.341 22.470 -21.349) 33.004 ======================= Grid point 415 (152/231) ======================= q-point: ( 0.62 0.38 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.267 ( 0.082 9.827 2.571) 10.158 4.470 ( 3.655 -17.705 -8.576) 20.009 5.202 ( 6.433 25.340 15.894) 30.596 5.806 ( -0.634 0.710 12.280) 12.317 5.927 ( 25.577 -1.547 -4.573) 26.029 6.146 ( -2.631 -8.917 7.211) 11.765 6.946 ( -3.524 -15.201 -14.165) 21.075 7.089 ( -11.163 -1.251 -21.873) 24.589 8.102 ( 15.843 5.532 7.596) 18.420 8.566 ( -3.512 16.068 -10.497) 19.512 9.521 ( -17.141 3.826 11.553) 21.022 9.688 ( 3.289 -6.883 4.179) 8.699 10.561 ( 1.423 -5.475 2.219) 6.076 10.805 ( 3.450 -5.175 -4.270) 7.545 11.338 ( -2.567 6.118 3.240) 7.384 11.402 ( 1.592 -3.962 0.206) 4.275 12.081 ( -8.490 -13.054 11.624) 19.432 12.570 ( -11.758 -7.922 -6.350) 15.534 17.463 ( -0.199 -4.739 3.919) 6.153 17.788 ( -7.145 -1.100 -8.612) 11.244 18.537 ( 12.573 -1.262 3.960) 13.242 18.786 ( -3.866 7.961 -5.432) 10.384 20.658 ( -3.816 -8.751 3.883) 10.306 20.731 ( -6.307 -8.900 0.502) 10.920 27.446 ( 1.417 2.419 1.239) 3.065 27.528 ( 0.252 2.563 -2.168) 3.367 36.610 ( -0.829 6.086 0.137) 6.144 36.658 ( 7.401 1.841 -1.341) 7.744 38.035 ( 28.334 1.659 10.878) 30.396 38.651 ( -16.953 16.056 -16.788) 28.759 ======================= Grid point 416 (153/231) ======================= q-point: ( 0.69 0.38 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.231 ( -10.792 0.213 -7.165) 12.956 4.452 ( 14.701 -6.334 -4.134) 16.532 5.321 ( -23.102 4.925 9.617) 25.504 5.804 ( 9.576 -4.297 24.590) 26.736 6.044 ( -0.688 -3.880 -3.227) 5.094 6.452 ( 5.651 4.137 -12.299) 14.153 6.717 ( -8.720 8.327 -21.990) 25.078 7.015 ( 33.495 -1.247 -5.688) 33.997 8.396 ( 7.646 2.981 9.029) 12.201 8.588 ( -3.866 11.525 -9.323) 15.320 9.292 ( -20.708 6.296 8.696) 23.325 9.666 ( 5.070 -15.486 6.369) 17.496 10.522 ( -0.486 -4.689 0.776) 4.778 10.798 ( 4.199 -3.837 -8.208) 9.986 11.255 ( -8.174 -4.882 5.310) 10.902 11.329 ( -6.740 -5.695 1.776) 9.001 12.016 ( -0.948 0.042 9.357) 9.405 12.379 ( -2.026 -6.114 -5.047) 8.183 17.453 ( -3.287 2.079 2.343) 4.540 17.643 ( -1.536 -3.912 -3.114) 5.231 18.728 ( 0.064 5.912 -3.031) 6.644 18.783 ( 8.821 -1.147 0.162) 8.897 20.556 ( -2.742 -4.758 1.941) 5.825 20.577 ( -4.663 -5.210 -0.004) 6.992 27.505 ( 1.768 2.473 0.940) 3.182 27.535 ( -0.186 1.223 -1.050) 1.623 36.655 ( -0.553 5.210 -0.028) 5.239 36.760 ( 4.886 0.040 -0.873) 4.964 38.362 ( -17.767 12.580 -8.775) 23.472 38.584 ( 25.098 -1.971 5.469) 25.762 ======================= Grid point 417 (154/231) ======================= q-point: (-0.23 0.38 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.030 ( -8.964 0.329 -2.096) 9.211 4.640 ( 13.848 0.273 -6.216) 15.182 4.878 ( -28.663 -10.297 8.549) 31.634 5.945 ( 2.205 -16.136 -7.616) 17.979 6.113 ( 14.187 -1.053 18.516) 23.350 6.368 ( -3.859 10.208 -14.974) 18.528 6.630 ( -10.456 29.082 -16.131) 34.861 7.721 ( 35.107 7.664 -1.906) 35.985 8.383 ( -12.343 3.905 -3.307) 13.361 8.630 ( 4.581 -0.367 1.927) 4.984 9.139 ( -6.643 2.343 5.095) 8.694 9.651 ( 4.814 -15.431 10.918) 19.506 10.494 ( -0.008 -0.430 2.499) 2.535 10.742 ( -3.410 -3.290 -7.024) 8.472 11.076 ( -9.164 -11.563 5.949) 15.908 11.196 ( 0.342 -3.106 1.037) 3.292 12.015 ( -5.736 1.854 0.319) 6.036 12.344 ( 5.428 -3.614 0.134) 6.523 17.397 ( -4.991 3.904 -2.638) 6.864 17.668 ( 6.722 -3.979 4.281) 8.908 18.703 ( -3.696 7.141 -6.729) 10.484 18.953 ( 9.706 -3.534 2.413) 10.607 20.477 ( -3.452 -2.382 0.330) 4.207 20.511 ( 0.235 -1.739 0.947) 1.994 27.507 ( -2.241 1.003 -0.755) 2.568 27.578 ( 2.699 0.884 0.892) 2.977 36.679 ( -1.831 3.641 0.121) 4.077 36.809 ( 2.230 -0.812 -0.972) 2.565 38.080 ( -23.038 11.799 -5.752) 26.516 39.012 ( 26.346 -5.769 2.865) 27.122 ======================= Grid point 418 (155/231) ======================= q-point: (-0.15 0.38 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.984 ( -2.632 7.991 7.353) 11.174 4.336 ( -31.308 -6.912 11.104) 33.930 4.854 ( 13.039 -0.656 -5.820) 14.294 5.779 ( 5.972 -19.652 -10.275) 22.966 6.258 ( -5.549 13.273 -9.948) 17.491 6.479 ( 7.227 6.113 2.928) 9.908 6.774 ( 1.184 30.930 -7.249) 31.790 7.900 ( -17.904 4.677 1.441) 18.561 8.349 ( 11.028 -0.080 -14.462) 18.188 8.694 ( 6.459 -11.169 10.077) 16.371 9.140 ( 1.836 1.394 -3.564) 4.245 9.557 ( -7.675 -15.632 9.633) 19.901 10.551 ( -2.679 6.282 8.496) 10.901 10.610 ( -3.744 -0.801 -3.415) 5.131 10.950 ( 5.398 -7.197 9.076) 12.780 11.260 ( 8.199 -3.239 0.357) 8.823 11.902 ( -5.489 1.885 -6.467) 8.689 12.451 ( 9.671 -4.106 3.792) 11.170 17.382 ( 0.994 3.414 -2.896) 4.586 17.777 ( 7.890 -4.325 5.242) 10.413 18.687 ( -2.518 7.496 -7.250) 10.728 19.023 ( 2.354 -4.162 0.216) 4.786 20.421 ( -2.276 -0.677 1.894) 3.037 20.549 ( 4.868 -0.128 0.967) 4.964 27.467 ( -2.851 0.143 -0.171) 2.860 27.619 ( 1.451 -0.124 -0.178) 1.467 36.662 ( -3.658 2.020 0.404) 4.198 36.806 ( -0.464 -1.387 -1.908) 2.404 37.813 ( -22.170 12.798 0.729) 25.610 39.328 ( 21.417 -8.719 -5.103) 23.680 ======================= Grid point 426 (156/231) ======================= q-point: ( 0.46 0.46 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.936 ( 0.000 8.415 -0.495) 8.430 4.424 ( -0.000 -28.537 -4.076) 28.827 4.820 ( 0.000 6.169 3.712) 7.200 5.054 ( 0.000 7.893 8.451) 11.563 6.263 ( 0.000 4.571 4.990) 6.767 6.355 ( 0.000 9.142 17.868) 20.071 6.761 ( 0.000 -0.562 6.755) 6.778 7.388 ( -0.000 -6.341 -10.288) 12.085 8.169 ( -0.000 0.542 -16.183) 16.192 8.474 ( -0.000 10.388 -6.713) 12.369 9.279 ( -0.000 -12.868 -8.784) 15.580 9.769 ( 0.000 35.085 24.517) 42.802 10.538 ( 0.000 -0.375 11.999) 12.005 10.697 ( 0.000 -6.704 12.883) 14.523 11.133 ( -0.000 -0.885 -8.823) 8.867 11.381 ( 0.000 -0.111 2.401) 2.403 12.378 ( -0.000 -24.161 -6.595) 25.045 13.726 ( -0.000 -22.702 -11.730) 25.553 17.464 ( -0.000 -10.277 -3.050) 10.720 17.877 ( -0.000 -0.932 -4.279) 4.379 18.371 ( 0.000 -3.867 3.765) 5.397 18.801 ( -0.000 14.525 -3.119) 14.856 20.871 ( 0.000 -17.168 7.194) 18.615 21.056 ( 0.000 -14.862 3.122) 15.186 27.439 ( 0.000 2.684 0.562) 2.743 27.456 ( -0.000 2.856 -2.978) 4.126 36.330 ( -0.000 9.156 -2.785) 9.570 36.764 ( 0.000 4.717 10.181) 11.221 36.925 ( 0.000 5.771 0.842) 5.832 38.997 ( -0.000 27.163 -21.374) 34.564 ======================= Grid point 427 (157/231) ======================= q-point: ( 0.54 0.46 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.127 ( 4.976 -26.830 -5.033) 27.748 4.151 ( 16.865 7.057 -1.023) 18.311 4.909 ( 1.806 1.841 1.250) 2.866 5.219 ( 3.992 9.130 15.566) 18.482 6.184 ( -0.600 -12.863 4.545) 13.656 6.424 ( -17.903 12.436 14.161) 25.995 6.910 ( 7.457 -3.980 -4.968) 9.804 7.390 ( 4.792 8.950 2.417) 10.436 7.899 ( -14.703 -1.622 -14.448) 20.677 8.589 ( 5.989 6.640 -8.684) 12.465 9.242 ( 9.895 -8.744 -6.122) 14.555 10.113 ( -8.945 27.801 16.028) 33.314 10.546 ( -1.384 -3.632 7.994) 8.889 10.742 ( 2.594 -7.073 8.761) 11.555 11.128 ( 4.815 1.636 -4.626) 6.874 11.418 ( 1.347 3.047 3.390) 4.753 12.161 ( 0.719 -17.248 -2.956) 17.515 13.265 ( -19.087 -24.360 -10.182) 32.579 17.393 ( 3.129 -9.551 -1.167) 10.118 17.869 ( 2.053 1.249 -6.535) 6.963 18.346 ( -0.572 -3.997 5.193) 6.579 18.902 ( -2.274 13.600 -3.358) 14.192 20.748 ( -1.505 -12.841 5.045) 13.878 20.903 ( -3.356 -13.642 1.464) 14.125 27.441 ( -1.178 2.166 -0.171) 2.472 27.497 ( 1.691 3.251 -1.943) 4.148 36.436 ( 4.609 7.210 -2.737) 8.984 36.730 ( -7.691 4.739 5.132) 10.390 37.210 ( 20.483 2.811 7.433) 21.971 39.073 ( -7.359 22.412 -17.366) 29.292 ======================= Grid point 428 (158/231) ======================= q-point: ( 0.62 0.46 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.013 ( 11.063 -20.015 -1.324) 22.907 4.490 ( 4.514 8.859 0.985) 9.992 5.120 ( 26.809 6.788 2.953) 27.812 5.455 ( 12.009 -2.426 9.746) 15.655 6.072 ( -4.300 -9.763 8.089) 13.388 6.265 ( -18.703 5.286 12.336) 23.020 6.792 ( -3.684 -10.355 -12.059) 16.316 7.329 ( -19.755 10.595 -15.586) 27.303 7.949 ( 15.607 8.264 7.478) 19.179 8.671 ( 1.542 8.270 -9.814) 12.926 9.301 ( 10.570 -12.553 -0.678) 16.425 10.131 ( -19.995 15.841 4.505) 25.904 10.528 ( -0.159 -4.301 5.719) 7.158 10.701 ( -0.558 -6.582 -0.355) 6.616 11.237 ( 8.116 -1.626 -1.028) 8.341 11.483 ( -2.561 3.408 2.827) 5.115 12.069 ( 1.890 -7.256 5.984) 9.593 12.690 ( -18.281 -18.291 -7.763) 27.000 17.369 ( 4.215 -7.932 1.785) 9.159 17.853 ( -3.345 3.038 -8.877) 9.961 18.378 ( 6.410 -3.533 6.827) 10.009 18.936 ( -5.633 11.061 -3.890) 13.007 20.639 ( -1.963 -8.762 3.081) 9.493 20.730 ( -4.266 -10.131 0.199) 10.994 27.452 ( 0.400 1.539 0.574) 1.690 27.539 ( 0.778 3.201 -1.935) 3.820 36.566 ( 6.007 4.223 -2.107) 7.639 36.703 ( -3.657 4.688 2.716) 6.537 37.643 ( 26.001 -0.941 9.227) 27.606 39.002 ( -14.880 18.055 -13.177) 26.852 ======================= Grid point 429 (159/231) ======================= q-point: ( 0.69 0.46 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.076 ( 14.125 -11.907 1.990) 18.581 4.469 ( -10.496 8.029 -5.574) 14.342 5.561 ( 11.671 -19.135 10.488) 24.746 5.741 ( 2.305 2.693 2.597) 4.394 5.989 ( 2.376 2.490 7.597) 8.340 6.185 ( 15.010 2.406 10.190) 18.301 6.568 ( -0.882 -8.595 -13.544) 16.066 7.117 ( -16.800 27.592 -13.420) 34.981 8.292 ( 12.666 2.545 8.918) 15.698 8.699 ( -2.234 8.902 -9.702) 13.356 9.336 ( 9.072 -15.396 4.789) 18.500 9.850 ( -26.197 7.135 -3.888) 27.428 10.526 ( -0.936 -1.221 6.306) 6.491 10.643 ( 2.286 -4.861 -5.049) 7.372 11.295 ( 1.442 -5.792 0.701) 6.010 11.372 ( -6.626 -8.048 0.870) 10.461 12.124 ( -1.626 4.800 9.756) 10.994 12.319 ( -5.252 -10.961 -7.849) 14.469 17.408 ( 6.437 -5.435 3.741) 9.218 17.727 ( -9.695 3.178 -7.151) 12.459 18.547 ( 12.597 -2.176 5.885) 14.073 18.895 ( -7.521 8.408 -4.292) 12.070 20.554 ( -1.813 -5.404 1.489) 5.891 20.592 ( -3.499 -5.677 -0.341) 6.677 27.488 ( 2.090 0.778 1.049) 2.464 27.559 ( -0.605 2.645 -1.566) 3.133 36.678 ( 5.338 1.680 -1.365) 5.760 36.717 ( -1.391 4.175 1.481) 4.643 38.101 ( 28.190 -4.748 7.396) 29.528 38.811 ( -20.472 15.016 -8.478) 26.766 ======================= Grid point 430 (160/231) ======================= q-point: (-0.23 0.46 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.209 ( 0.841 0.437 8.263) 8.317 4.364 ( 2.736 3.385 -11.351) 12.157 5.372 ( -30.395 -6.006 9.279) 32.342 5.514 ( 10.586 -28.053 -8.244) 31.096 6.133 ( 5.024 4.413 16.948) 18.220 6.379 ( -1.328 5.118 -14.431) 15.370 7.040 ( 41.203 11.440 5.289) 43.088 7.151 ( -5.681 34.760 -9.101) 36.378 8.471 ( 6.116 -6.731 9.792) 13.364 8.629 ( -8.535 3.652 -10.824) 14.260 9.355 ( 0.996 -10.951 9.601) 14.598 9.478 ( -13.874 -2.198 -6.411) 15.441 10.529 ( -1.936 0.843 6.333) 6.675 10.637 ( 4.065 -2.563 -7.513) 8.919 11.165 ( -6.552 -7.549 4.180) 10.835 11.215 ( -5.316 -6.952 -2.343) 9.060 12.146 ( -4.119 3.759 4.845) 7.387 12.216 ( 2.803 -5.334 -4.179) 7.333 17.499 ( 6.171 -3.122 4.180) 8.081 17.568 ( -7.980 2.292 -4.651) 9.516 18.762 ( 12.016 -1.780 4.144) 12.835 18.827 ( -6.542 7.141 -4.232) 10.569 20.499 ( -0.696 -2.807 0.526) 2.939 20.505 ( -2.676 -2.223 -0.250) 3.488 27.538 ( 2.892 -0.187 0.871) 3.026 27.552 ( -1.989 1.836 -0.916) 2.858 36.738 ( -1.201 2.900 0.903) 3.266 36.753 ( 3.490 0.161 -1.013) 3.637 38.517 ( 24.401 -6.423 2.764) 25.383 38.561 ( -20.114 12.126 -3.147) 23.696 ======================= Grid point 431 (161/231) ======================= q-point: (-0.15 0.46 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.217 ( -6.905 14.524 9.607) 18.733 4.534 ( 15.713 -1.680 -7.983) 17.704 4.880 ( -28.952 -0.809 10.448) 30.790 5.381 ( 10.415 -25.538 -11.083) 29.724 6.357 ( -0.031 10.187 -6.967) 12.342 6.411 ( 10.201 6.419 9.016) 15.052 7.226 ( -16.388 38.347 -6.183) 42.158 7.823 ( 33.749 4.081 -2.754) 34.106 8.324 ( -18.406 -2.779 -10.110) 21.183 8.525 ( 5.140 -15.525 9.513) 18.919 9.184 ( -9.120 -0.302 -0.091) 9.126 9.402 ( 6.288 -18.018 3.326) 19.371 10.584 ( 3.163 3.337 5.226) 6.961 10.613 ( 0.744 -0.887 -3.588) 3.771 11.013 ( -9.789 -1.703 3.259) 10.457 11.145 ( 4.878 -2.968 0.915) 5.783 12.063 ( -11.061 4.655 -2.919) 12.351 12.270 ( 9.661 -5.372 2.071) 11.246 17.450 ( -6.064 4.317 -2.021) 7.713 17.612 ( 8.607 -5.797 2.857) 10.763 18.786 ( -4.386 7.255 -3.708) 9.253 18.915 ( 6.996 -2.390 1.119) 7.478 20.456 ( -2.011 -0.344 0.562) 2.116 20.492 ( 2.033 -1.236 0.395) 2.412 27.521 ( -3.080 1.150 -0.225) 3.295 27.579 ( 2.489 -1.320 0.046) 2.818 36.733 ( -2.580 1.687 0.726) 3.167 36.782 ( 1.195 -1.059 -1.290) 2.052 38.319 ( -22.774 14.855 3.316) 27.392 38.841 ( 23.894 -11.142 -4.686) 26.777 ======================= Grid point 440 (162/231) ======================= q-point: ( 0.54 0.54 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.816 ( -0.000 -22.953 -0.114) 22.953 4.028 ( -0.000 6.460 -1.952) 6.749 4.948 ( 0.000 -1.505 4.678) 4.914 5.282 ( 0.000 -1.939 13.777) 13.913 6.115 ( 0.000 -8.996 6.888) 11.331 6.659 ( -0.000 -8.269 -8.904) 12.152 6.957 ( 0.000 20.861 13.958) 25.100 7.409 ( 0.000 8.438 6.522) 10.665 8.028 ( -0.000 2.387 -13.695) 13.901 8.384 ( -0.000 -10.991 -6.261) 12.649 9.148 ( -0.000 7.299 -9.045) 11.623 10.455 ( 0.000 14.596 4.916) 15.401 10.547 ( 0.000 -8.006 6.332) 10.207 10.738 ( 0.000 -0.631 10.301) 10.321 11.088 ( -0.000 3.643 -4.972) 6.164 11.486 ( 0.000 10.691 7.824) 13.248 12.005 ( -0.000 -10.584 -2.287) 10.828 13.083 ( -0.000 -32.707 -11.862) 34.791 17.289 ( -0.000 -5.611 -1.341) 5.769 17.825 ( -0.000 0.147 -4.369) 4.372 18.345 ( 0.000 -3.240 4.798) 5.790 19.037 ( -0.000 13.445 -2.885) 13.751 20.671 ( 0.000 -10.422 3.575) 11.018 20.808 ( -0.000 -12.954 0.530) 12.964 27.481 ( -0.000 2.947 -2.476) 3.849 27.491 ( 0.000 2.055 0.417) 2.097 36.454 ( -0.000 7.060 -2.904) 7.634 36.943 ( 0.000 0.542 14.376) 14.386 37.012 ( -0.000 3.097 -0.575) 3.150 39.257 ( -0.000 20.291 -13.752) 24.512 ======================= Grid point 441 (163/231) ======================= q-point: ( 0.62 0.54 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.723 ( 5.443 -12.361 8.336) 15.871 4.307 ( 22.560 8.794 4.438) 24.617 4.925 ( 3.075 -3.027 -2.926) 5.213 5.323 ( 3.265 -11.171 11.175) 16.135 6.085 ( -1.101 -4.723 10.740) 11.784 6.506 ( -4.583 -4.528 -8.767) 10.879 6.937 ( -20.414 4.059 6.426) 21.783 7.636 ( -1.889 10.750 -0.584) 10.930 7.862 ( 0.120 7.467 -0.083) 7.468 8.473 ( 16.139 -4.818 -6.767) 18.151 9.179 ( -0.090 5.869 -6.970) 9.112 10.448 ( -7.440 -0.099 -3.773) 8.342 10.518 ( -0.257 -3.285 4.370) 5.473 10.732 ( -3.838 -1.774 4.331) 6.052 11.132 ( 3.541 3.138 -2.479) 5.341 11.597 ( -7.482 6.060 4.449) 10.606 12.005 ( 6.531 2.864 3.780) 8.072 12.640 ( -8.185 -29.981 -8.858) 32.315 17.261 ( 1.956 -3.877 0.449) 4.365 17.838 ( 2.687 2.270 -5.978) 6.936 18.339 ( 0.008 -2.747 6.701) 7.242 19.105 ( -4.035 10.739 -2.899) 11.833 20.595 ( -0.648 -7.673 2.087) 7.978 20.684 ( -1.772 -9.592 -0.299) 9.759 27.474 ( -1.221 1.580 -0.312) 2.021 27.537 ( 1.823 2.560 -1.254) 3.384 36.525 ( 3.070 4.964 -2.473) 6.339 36.846 ( -7.902 1.600 5.346) 9.673 37.295 ( 20.166 -2.190 7.910) 21.772 39.304 ( -8.507 17.612 -10.045) 21.988 ======================= Grid point 442 (164/231) ======================= q-point: (-0.31 -0.46 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.814 ( 9.554 -5.164 9.314) 14.307 4.623 ( -0.025 5.151 -0.256) 5.158 5.172 ( 17.407 -11.527 -9.268) 22.842 5.347 ( 25.665 -3.530 16.839) 30.898 6.111 ( -0.554 -0.879 14.304) 14.342 6.324 ( -12.234 -3.600 -0.699) 12.772 6.584 ( -17.205 -3.170 -7.391) 18.992 7.595 ( -13.217 26.308 -2.445) 29.543 8.117 ( 14.444 -2.755 6.922) 16.252 8.653 ( 9.898 3.517 -6.399) 12.300 9.173 ( -0.140 -0.934 -2.638) 2.802 10.211 ( -16.520 -0.639 -11.183) 19.959 10.518 ( 1.607 -1.558 1.236) 2.557 10.669 ( -4.489 -1.491 5.489) 7.246 11.205 ( 3.627 -0.902 -0.749) 3.811 11.404 ( -10.918 -9.415 -0.012) 14.417 12.158 ( 2.956 -4.216 -4.440) 6.799 12.304 ( -5.231 -3.688 3.077) 7.102 17.284 ( 4.170 -2.921 2.071) 5.496 17.841 ( -3.236 4.272 -7.484) 9.206 18.406 ( 6.688 -1.572 8.867) 11.217 19.078 ( -7.461 7.110 -2.868) 10.698 20.530 ( -0.804 -5.210 0.720) 5.321 20.583 ( -1.965 -4.674 -0.711) 5.120 27.476 ( 0.390 0.311 0.494) 0.702 27.576 ( 0.737 2.477 -1.282) 2.885 36.610 ( 4.346 2.334 -1.565) 5.175 36.794 ( -3.376 1.701 3.156) 4.925 37.656 ( 24.317 -6.376 7.052) 26.109 39.217 ( -15.908 15.427 -5.863) 22.922 ======================= Grid point 443 (165/231) ======================= q-point: (-0.23 -0.46 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.001 ( 13.005 -1.548 2.588) 13.350 4.587 ( -10.404 10.439 -0.448) 14.745 5.017 ( 7.882 -30.294 -8.610) 32.465 5.822 ( -20.927 -6.329 7.835) 23.225 6.113 ( 14.976 1.355 13.282) 20.064 6.399 ( 4.008 2.428 -6.706) 8.181 6.417 ( 24.827 13.392 4.838) 28.621 7.690 ( -10.575 32.612 2.253) 34.357 8.282 ( 10.728 -12.467 7.490) 18.073 8.729 ( -3.322 5.388 -8.897) 10.919 9.162 ( 4.333 -6.514 1.526) 7.971 9.814 ( -22.721 -2.246 -10.273) 25.036 10.550 ( 2.573 1.895 -4.433) 5.465 10.623 ( -3.454 -1.215 8.384) 9.148 11.143 ( -3.248 -11.324 -2.815) 12.112 11.221 ( -3.659 -1.646 -2.096) 4.526 12.039 ( 3.249 -11.601 -2.868) 12.384 12.328 ( -5.259 8.249 2.230) 10.034 17.357 ( 6.257 -2.519 2.404) 7.160 17.743 ( -8.989 4.625 -5.339) 11.433 18.594 ( 10.832 0.046 7.366) 13.100 18.990 ( -7.883 4.911 -2.298) 9.567 20.482 ( -0.468 -3.195 -0.256) 3.239 20.524 ( -1.957 -0.771 -0.751) 2.233 27.496 ( 1.944 -0.954 0.661) 2.264 27.591 ( -0.862 2.052 -0.762) 2.352 36.686 ( 4.144 0.128 -0.768) 4.217 36.786 ( -1.375 1.337 1.851) 2.665 38.015 ( 25.755 -9.779 3.042) 27.717 39.039 ( -20.479 14.476 -0.956) 25.097 ======================= Grid point 454 (166/231) ======================= q-point: (-0.38 -0.38 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.730 ( 0.000 0.824 24.463) 24.477 4.199 ( 0.000 8.773 7.322) 11.427 4.800 ( -0.000 -11.206 -7.160) 13.298 5.259 ( 0.000 -9.659 6.755) 11.787 6.124 ( 0.000 -2.151 13.229) 13.402 6.444 ( -0.000 -0.877 -12.836) 12.866 7.263 ( 0.000 -2.486 7.627) 8.022 7.506 ( -0.000 -8.896 0.578) 8.915 8.101 ( -0.000 17.049 -3.376) 17.380 8.236 ( 0.000 5.548 -0.068) 5.548 9.219 ( -0.000 7.173 -7.972) 10.725 10.443 ( 0.000 -6.800 3.708) 7.745 10.497 ( -0.000 -3.919 -9.059) 9.870 10.723 ( -0.000 -5.620 -0.363) 5.632 11.138 ( -0.000 4.946 -2.134) 5.387 11.855 ( 0.000 4.751 0.015) 4.751 11.922 ( 0.000 0.398 3.269) 3.293 12.399 ( -0.000 -17.937 -2.244) 18.076 17.240 ( 0.000 0.559 1.195) 1.319 17.800 ( -0.000 2.133 -4.410) 4.899 18.357 ( 0.000 -1.390 6.419) 6.567 19.212 ( -0.000 7.348 -2.602) 7.795 20.543 ( 0.000 -6.127 0.944) 6.199 20.618 ( -0.000 -6.316 -0.792) 6.365 27.516 ( -0.000 0.251 -0.065) 0.259 27.517 ( -0.000 2.927 -1.389) 3.239 36.530 ( -0.000 3.997 -2.511) 4.720 37.023 ( -0.000 -0.132 -2.585) 2.589 37.060 ( 0.000 -4.909 16.359) 17.080 39.489 ( -0.000 16.115 -7.054) 17.591 ======================= Grid point 455 (167/231) ======================= q-point: (-0.31 -0.38 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.839 ( -4.674 4.389 21.662) 22.591 4.516 ( 13.423 -5.416 7.189) 16.161 4.796 ( 20.143 5.649 -0.700) 20.932 5.170 ( -1.892 -10.294 4.363) 11.339 6.178 ( -0.120 -0.433 13.422) 13.429 6.374 ( -2.444 2.089 -10.930) 11.393 6.892 ( -24.654 -9.076 0.631) 26.279 7.660 ( 18.006 -11.471 -1.404) 21.396 8.128 ( -8.717 18.914 6.072) 21.694 8.512 ( 12.106 12.017 -0.306) 17.060 9.210 ( -2.851 3.470 -6.369) 7.793 10.278 ( -6.996 -9.852 -13.793) 18.337 10.461 ( 3.841 -4.235 -1.114) 5.825 10.672 ( -0.136 -5.163 0.359) 5.177 11.173 ( -0.244 1.302 -0.785) 1.540 11.565 ( -12.607 -13.117 -2.486) 18.362 11.988 ( 1.612 -7.512 -0.547) 7.702 12.430 ( -1.135 15.445 3.336) 15.841 17.263 ( -0.168 2.387 2.519) 3.474 17.837 ( 2.926 4.257 -6.062) 7.964 18.387 ( 0.990 -0.500 8.826) 8.895 19.210 ( -4.228 2.707 -2.432) 5.579 20.493 ( -0.171 -4.568 -0.272) 4.579 20.570 ( -0.764 -1.284 -1.085) 1.846 27.488 ( -1.478 -0.167 -0.057) 1.488 27.567 ( 2.094 2.017 -0.913) 3.047 36.567 ( 2.329 1.958 -1.868) 3.571 36.891 ( -6.277 -1.547 3.420) 7.314 37.288 ( 17.646 -7.318 8.608) 20.953 39.533 ( -8.555 14.550 -3.725) 17.285 ======================= Grid point 456 (168/231) ======================= q-point: (-0.23 -0.38 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.904 ( 0.662 1.605 7.192) 7.398 4.500 ( 8.586 -21.435 -8.438) 24.584 4.930 ( -11.873 1.759 3.107) 12.398 5.607 ( 39.403 8.933 18.125) 44.283 6.163 ( -12.423 -7.246 3.539) 14.811 6.311 ( 2.367 0.280 11.471) 11.716 6.557 ( -10.765 11.983 -9.568) 18.736 7.804 ( 14.848 -11.758 -2.333) 19.083 8.236 ( -4.658 14.977 12.995) 20.368 8.753 ( 3.960 11.083 -5.412) 12.954 9.142 ( -3.348 -0.493 -1.467) 3.689 9.940 ( -9.892 -15.472 -17.025) 25.042 10.493 ( 4.666 -1.401 -3.729) 6.135 10.628 ( 0.536 -6.330 3.100) 7.069 11.091 ( -3.457 -5.869 -4.240) 8.024 11.360 ( -8.621 3.578 -0.351) 9.341 11.910 ( -2.301 -4.985 1.864) 5.799 12.508 ( -6.159 11.189 -1.135) 12.822 17.309 ( 1.264 2.842 3.064) 4.366 17.855 ( -2.918 5.165 -7.193) 9.323 18.501 ( 6.708 1.078 10.320) 12.355 19.122 ( -6.091 -0.080 -1.675) 6.318 20.451 ( 0.010 -3.211 -1.337) 3.478 20.554 ( -1.536 2.582 -1.152) 3.217 27.469 ( 0.153 -1.428 0.212) 1.451 27.606 ( 0.849 1.730 -0.481) 1.986 36.617 ( 3.571 -0.364 -0.828) 3.684 36.828 ( -2.288 -1.065 2.514) 3.562 37.556 ( 21.230 -10.595 5.085) 24.265 39.460 ( -15.107 13.712 0.272) 20.404 ======================= Grid point 468 (169/231) ======================= q-point: (-0.31 -0.31 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.188 ( 0.000 7.255 34.612) 35.364 4.268 ( -0.000 -16.308 -2.745) 16.538 4.675 ( 0.000 11.686 5.447) 12.893 5.156 ( 0.000 -2.867 2.922) 4.094 6.242 ( 0.000 -0.861 13.463) 13.491 6.368 ( -0.000 5.628 -13.572) 14.693 7.103 ( 0.000 -18.888 6.148) 19.864 7.249 ( -0.000 -6.761 -6.198) 9.172 8.476 ( 0.000 12.258 4.984) 13.233 8.488 ( 0.000 19.830 4.137) 20.257 9.226 ( -0.000 1.870 -7.295) 7.531 10.072 ( -0.000 -23.267 -26.438) 35.219 10.388 ( 0.000 -3.533 3.457) 4.942 10.621 ( -0.000 -7.490 0.293) 7.496 11.222 ( 0.000 4.695 1.278) 4.866 11.376 ( -0.000 -25.014 -5.766) 25.670 12.066 ( 0.000 9.550 6.276) 11.428 12.642 ( 0.000 23.002 -1.911) 23.082 17.330 ( 0.000 6.214 3.602) 7.182 17.819 ( -0.000 5.054 -5.179) 7.237 18.425 ( 0.000 0.265 8.847) 8.851 19.230 ( -0.000 -2.780 -2.448) 3.704 20.450 ( -0.000 -3.832 -1.450) 4.098 20.580 ( -0.000 3.406 -1.371) 3.672 27.498 ( -0.000 -1.676 -0.697) 1.815 27.559 ( 0.000 2.311 -0.252) 2.324 36.553 ( -0.000 0.803 -1.852) 2.018 36.961 ( -0.000 -2.651 -4.050) 4.841 37.088 ( 0.000 -9.972 16.671) 19.426 39.720 ( 0.000 13.342 -1.450) 13.420 ======================= Grid point 469 (170/231) ======================= q-point: (-0.23 -0.31 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.022 ( -4.996 -11.420 -1.721) 12.583 4.209 ( -6.601 -14.214 5.748) 16.692 5.086 ( 2.207 -1.584 2.360) 3.598 5.262 ( 24.410 18.222 24.797) 39.278 6.269 ( -5.378 0.707 -1.477) 5.622 6.339 ( 0.027 -0.411 5.514) 5.530 6.800 ( -11.279 -1.376 1.015) 11.408 7.395 ( 15.640 -8.117 -0.900) 17.644 8.517 ( -6.188 10.988 9.380) 15.716 8.776 ( 6.434 14.812 -0.784) 16.168 9.176 ( -2.398 -0.321 -4.682) 5.270 9.659 ( 0.437 -33.426 -27.935) 43.564 10.384 ( 1.787 -5.256 1.043) 5.649 10.552 ( 2.331 -9.480 1.960) 9.957 11.113 ( -5.264 -1.623 -3.887) 6.742 11.360 ( 5.711 -0.649 0.852) 5.811 12.129 ( -9.868 14.044 6.051) 18.200 12.748 ( -9.064 18.225 -7.095) 21.556 17.392 ( -2.443 7.445 4.235) 8.906 17.873 ( 2.059 6.402 -6.762) 9.537 18.494 ( 2.453 1.018 10.833) 11.154 19.153 ( -2.347 -5.896 -1.984) 6.649 20.409 ( 0.236 -3.120 -2.636) 4.091 20.613 ( -1.138 6.559 -1.500) 6.823 27.462 ( -1.052 -2.074 -0.548) 2.389 27.595 ( 1.729 1.366 -0.029) 2.203 36.560 ( 1.918 -1.087 -1.039) 2.437 36.864 ( -3.333 -3.320 0.826) 4.777 37.202 ( 13.718 -11.593 9.528) 20.331 39.774 ( -7.817 12.545 1.365) 14.844 ======================= Grid point 482 (171/231) ======================= q-point: (-0.23 -0.23 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.780 ( -0.000 -24.523 -11.294) 26.998 4.300 ( 0.000 -20.055 7.597) 21.446 5.091 ( 0.000 15.276 18.270) 23.814 5.306 ( 0.000 4.799 8.981) 10.183 6.335 ( 0.000 -2.630 9.598) 9.952 6.375 ( -0.000 10.956 -7.022) 13.013 6.740 ( 0.000 -27.997 9.757) 29.649 7.367 ( 0.000 22.190 3.172) 22.415 8.707 ( 0.000 7.066 2.997) 7.676 8.818 ( 0.000 7.099 4.515) 8.413 9.131 ( -0.000 -41.505 -29.973) 51.196 9.166 ( -0.000 1.315 -7.451) 7.566 10.350 ( 0.000 -5.357 4.415) 6.942 10.414 ( -0.000 -12.190 1.056) 12.235 11.136 ( -0.000 1.718 -4.693) 4.998 11.340 ( 0.000 5.319 3.061) 6.137 12.395 ( 0.000 18.011 7.093) 19.357 12.991 ( -0.000 23.229 -14.060) 27.153 17.527 ( 0.000 9.616 5.102) 10.886 17.881 ( -0.000 7.861 -6.357) 10.110 18.538 ( 0.000 0.644 11.173) 11.192 19.083 ( -0.000 -9.527 -2.223) 9.783 20.361 ( -0.000 -3.013 -3.947) 4.966 20.689 ( -0.000 8.889 -1.751) 9.060 27.446 ( -0.000 -2.588 -1.148) 2.831 27.590 ( 0.000 0.768 0.390) 0.861 36.525 ( -0.000 -2.243 -0.823) 2.390 36.855 ( -0.000 -3.808 -4.470) 5.872 37.031 ( 0.000 -13.378 15.721) 20.643 39.959 ( 0.000 11.674 2.722) 11.987 ======================= Grid point 553 (172/231) ======================= q-point: ( 0.23 0.23 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.126 ( 0.000 -0.000 44.798) 44.798 2.126 ( 0.000 -0.000 44.798) 44.798 3.416 ( 0.000 -0.000 72.036) 72.036 5.355 ( -0.000 0.000 -2.172) 2.172 5.355 ( -0.000 -0.000 -2.172) 2.172 6.904 ( -0.000 0.000 -2.634) 2.634 6.904 ( -0.000 0.000 -2.634) 2.634 8.074 ( 0.000 -0.000 15.781) 15.781 8.111 ( -0.000 0.000 -2.814) 2.814 8.111 ( -0.000 0.000 -2.814) 2.814 8.671 ( -0.000 0.000 -17.643) 17.643 10.161 ( 0.000 -0.000 8.571) 8.571 10.161 ( 0.000 -0.000 8.571) 8.571 10.474 ( -0.000 0.000 -24.859) 24.859 11.407 ( -0.000 0.000 -7.122) 7.122 11.407 ( -0.000 0.000 -7.122) 7.122 14.190 ( 0.000 -0.000 0.300) 0.300 14.284 ( -0.000 0.000 -2.507) 2.507 18.163 ( 0.000 -0.000 1.127) 1.127 18.163 ( 0.000 -0.000 1.127) 1.127 18.296 ( 0.000 0.000 -0.752) 0.752 18.296 ( -0.000 0.000 -0.752) 0.752 21.531 ( 0.000 -0.000 12.778) 12.778 23.045 ( -0.000 0.000 -8.920) 8.920 27.360 ( 0.000 -0.000 0.342) 0.342 27.389 ( -0.000 0.000 -0.029) 0.029 35.959 ( 0.000 -0.000 3.618) 3.618 35.959 ( 0.000 -0.000 3.618) 3.618 36.476 ( -0.000 0.000 -3.648) 3.648 36.476 ( -0.000 0.000 -3.648) 3.648 ======================= Grid point 554 (173/231) ======================= q-point: ( 0.31 0.23 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.260 ( 4.602 2.657 37.960) 38.330 2.642 ( 10.175 5.874 44.036) 45.576 4.123 ( 32.203 18.593 60.940) 71.389 5.078 ( -9.749 -5.629 -8.879) 14.338 5.647 ( 15.286 8.825 -1.595) 17.722 6.878 ( -1.141 -0.659 3.631) 3.862 6.913 ( -0.571 -0.330 -4.969) 5.012 7.804 ( -13.456 -7.769 5.940) 16.634 8.201 ( 0.955 0.552 -7.162) 7.247 8.232 ( 6.204 3.582 11.094) 13.206 8.546 ( -2.378 -1.373 -21.073) 21.251 10.216 ( 6.333 3.656 5.085) 8.907 10.348 ( 0.690 0.398 -20.134) 20.149 10.385 ( 9.025 5.211 11.045) 15.185 11.358 ( -0.057 -0.033 -6.908) 6.908 11.369 ( -1.119 -0.646 -7.127) 7.244 14.042 ( -13.209 -7.626 -0.446) 15.259 14.152 ( -14.277 -8.243 -3.585) 16.871 18.086 ( -4.481 -2.587 -0.667) 5.217 18.220 ( 2.443 1.411 1.977) 3.445 18.250 ( -1.166 -0.673 -1.578) 2.074 18.345 ( 2.157 1.246 -0.914) 2.653 21.542 ( -5.119 -2.955 12.464) 13.795 22.489 ( -38.907 -22.463 6.441) 45.386 27.354 ( -0.693 -0.400 0.263) 0.842 27.385 ( 0.290 0.168 -0.273) 0.433 36.135 ( 9.182 5.301 4.880) 11.672 36.396 ( -1.368 -0.790 -5.244) 5.477 36.600 ( 9.870 5.698 -0.938) 11.435 36.611 ( 51.573 29.775 -22.355) 63.608 ======================= Grid point 555 (174/231) ======================= q-point: ( 0.38 0.23 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.657 ( 15.954 9.211 25.993) 31.859 3.021 ( 7.261 4.192 37.764) 38.684 4.915 ( 0.188 0.109 -9.555) 9.558 5.193 ( 36.877 21.291 43.899) 61.158 5.957 ( 14.021 8.095 -1.183) 16.233 6.801 ( -9.971 -5.757 5.159) 12.617 6.886 ( 2.785 1.608 -7.639) 8.288 7.616 ( -7.028 -4.058 7.792) 11.251 8.110 ( -2.764 -1.596 -15.223) 15.554 8.367 ( -3.520 -2.032 -22.241) 22.609 8.492 ( 11.691 6.750 12.171) 18.176 10.324 ( 2.908 1.679 -7.873) 8.559 10.385 ( 6.859 3.960 -0.661) 7.947 10.642 ( 8.866 5.119 11.418) 15.335 11.287 ( -3.866 -2.232 -4.298) 6.197 11.357 ( 3.182 1.837 -3.795) 5.282 13.608 ( -33.091 -19.105 -1.752) 38.251 13.659 ( -20.755 -11.983 -1.214) 23.996 17.946 ( -8.057 -4.652 -3.170) 9.829 18.231 ( -2.932 -1.693 0.937) 3.513 18.278 ( 5.281 3.049 -2.193) 6.480 18.410 ( 4.608 2.660 -1.249) 5.466 21.433 ( -10.059 -5.807 9.688) 15.125 21.753 ( -32.130 -18.550 14.625) 39.879 27.335 ( -1.032 -0.596 0.092) 1.195 27.406 ( 1.815 1.048 -1.078) 2.357 36.356 ( 0.498 0.288 -5.478) 5.508 36.370 ( 9.694 5.597 4.965) 12.245 36.911 ( 18.221 10.520 4.583) 21.533 37.500 ( 41.433 23.921 -39.118) 61.799 ======================= Grid point 556 (175/231) ======================= q-point: ( 0.46 0.23 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.157 ( 20.175 11.648 13.832) 27.094 3.375 ( 11.567 6.678 24.303) 27.732 5.028 ( 14.128 8.157 -6.123) 17.425 5.861 ( 6.385 3.686 22.482) 23.660 6.287 ( 14.822 8.557 -2.150) 17.249 6.469 ( -21.872 -12.628 3.211) 25.458 7.050 ( 17.514 10.112 -2.508) 20.378 7.616 ( 3.935 2.272 11.468) 12.335 7.971 ( -1.597 -0.922 -21.726) 21.804 8.193 ( -2.962 -1.710 -17.342) 17.676 8.781 ( 7.830 4.520 6.981) 11.422 10.346 ( -0.968 -0.559 4.366) 4.507 10.481 ( 3.273 1.890 -2.858) 4.739 10.846 ( 5.549 3.204 6.101) 8.848 11.149 ( -8.088 -4.669 0.149) 9.340 11.466 ( 6.436 3.716 2.594) 7.871 12.847 ( -33.370 -19.266 -0.392) 38.535 13.198 ( -20.093 -11.601 -0.365) 23.205 17.725 ( -10.094 -5.828 -4.081) 12.350 18.115 ( -7.283 -4.205 -1.093) 8.481 18.439 ( 10.062 5.809 -2.183) 11.822 18.506 ( 4.512 2.605 -1.934) 5.557 21.221 ( -12.791 -7.385 5.754) 15.851 21.256 ( -21.292 -12.293 12.760) 27.700 27.320 ( -0.195 -0.113 0.170) 0.283 27.446 ( 2.381 1.375 -1.521) 3.142 36.363 ( 2.537 1.464 -4.991) 5.787 36.587 ( 7.935 4.581 5.220) 10.545 37.410 ( 24.016 13.865 10.031) 29.489 37.972 ( 21.607 12.475 -39.155) 46.429 ======================= Grid point 557 (176/231) ======================= q-point: ( 0.54 0.23 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.644 ( 20.874 12.052 3.565) 24.365 3.777 ( 18.409 10.628 7.799) 22.642 5.379 ( 15.081 8.707 -9.750) 19.958 5.932 ( -4.527 -2.614 15.133) 16.010 6.016 ( -16.035 -9.258 9.924) 21.007 6.337 ( -5.298 -3.059 -11.971) 13.444 7.515 ( 21.350 12.326 -3.618) 24.917 7.808 ( -2.581 -1.490 -23.013) 23.206 7.944 ( 18.318 10.576 19.653) 28.873 8.060 ( -3.061 -1.767 -12.658) 13.142 8.745 ( -14.452 -8.344 -3.624) 17.077 10.301 ( -7.934 -4.581 14.478) 17.133 10.562 ( 6.045 3.490 4.125) 8.108 10.945 ( 1.848 1.067 1.204) 2.450 10.959 ( -9.049 -5.224 0.944) 10.491 11.597 ( 3.416 1.972 3.807) 5.483 12.291 ( -16.795 -9.696 -1.786) 19.475 12.841 ( -13.385 -7.728 2.801) 15.707 17.499 ( -8.336 -4.813 -4.087) 10.457 17.930 ( -8.610 -4.971 -1.697) 10.085 18.571 ( 2.807 1.621 -3.801) 4.995 18.668 ( 11.528 6.656 -0.537) 13.322 20.932 ( -14.534 -8.391 8.855) 18.975 20.965 ( -12.365 -7.139 2.435) 14.484 27.336 ( 1.574 0.909 0.606) 1.916 27.487 ( 1.950 1.126 -1.331) 2.616 36.409 ( 3.674 2.121 -3.975) 5.814 36.757 ( 5.195 2.999 5.448) 8.103 38.014 ( 25.814 14.904 13.691) 32.802 38.079 ( 6.692 3.864 -34.654) 35.505 ======================= Grid point 558 (177/231) ======================= q-point: ( 0.62 0.23 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.093 ( 20.839 12.031 -3.521) 24.319 4.244 ( 25.089 14.485 -9.910) 30.618 5.167 ( -20.987 -12.117 -9.346) 25.973 5.884 ( -7.419 -4.283 11.410) 14.268 6.036 ( -14.095 -8.138 -11.382) 19.861 6.231 ( 19.755 11.405 6.813) 23.806 7.684 ( 2.130 1.230 -15.842) 16.032 7.830 ( 4.542 2.622 -7.217) 8.921 7.911 ( -5.277 -3.047 -9.428) 11.226 8.251 ( -18.083 -10.440 -0.477) 20.886 8.467 ( 18.254 10.539 16.842) 26.980 10.152 ( -14.069 -8.123 21.425) 26.887 10.779 ( -6.029 -3.481 -2.545) 7.412 10.794 ( 10.212 5.896 5.436) 12.984 10.920 ( -3.874 -2.237 -2.742) 5.247 11.675 ( 1.887 1.090 6.004) 6.387 12.074 ( -3.546 -2.047 -3.454) 5.357 12.609 ( -10.659 -6.154 2.244) 12.510 17.347 ( -3.672 -2.120 -3.616) 5.572 17.760 ( -6.104 -3.524 -0.021) 7.049 18.589 ( 1.292 0.746 -6.014) 6.196 18.914 ( 10.536 6.083 1.850) 12.305 20.706 ( -9.847 -5.685 5.177) 12.493 20.732 ( -9.732 -5.619 0.608) 11.254 27.393 ( 3.202 1.849 1.085) 3.853 27.512 ( 0.766 0.442 -0.672) 1.111 36.472 ( 3.480 2.009 -2.784) 4.888 36.862 ( 2.080 1.201 5.283) 5.803 37.949 ( -2.817 -1.626 -29.581) 29.760 38.633 ( 24.553 14.176 14.763) 31.965 ======================= Grid point 559 (178/231) ======================= q-point: (-0.31 0.23 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.496 ( 17.760 10.254 -6.140) 21.407 4.661 ( -20.349 -11.749 -5.401) 24.110 4.712 ( 25.722 14.851 -31.084) 42.993 5.472 ( -22.992 -13.274 -9.158) 28.084 5.958 ( 0.844 0.487 15.262) 15.293 6.512 ( 5.089 2.938 -10.221) 11.790 7.450 ( -22.827 -13.179 3.547) 26.596 7.599 ( -8.828 -5.097 -14.856) 18.017 7.986 ( 18.608 10.744 6.066) 22.327 8.321 ( 12.583 7.265 -4.704) 15.272 8.871 ( 11.269 6.506 14.270) 19.313 9.927 ( -17.897 -10.333 26.334) 33.475 10.610 ( -5.793 -3.344 -7.399) 9.974 10.785 ( -5.959 -3.440 -4.171) 8.046 11.056 ( 9.883 5.706 3.355) 11.895 11.655 ( -11.406 -6.585 10.303) 16.722 12.058 ( 3.395 1.960 -4.959) 6.321 12.442 ( -1.416 -0.818 -2.151) 2.702 17.312 ( 2.006 1.158 -3.352) 4.074 17.687 ( -1.171 -0.676 3.073) 3.357 18.577 ( 1.049 0.606 -7.720) 7.815 19.114 ( 6.037 3.485 3.738) 7.909 20.556 ( -6.883 -3.974 0.095) 7.949 20.568 ( -4.309 -2.488 2.357) 5.506 27.476 ( 3.688 2.130 1.172) 4.418 27.511 ( -0.689 -0.398 0.150) 0.810 36.522 ( 2.101 1.213 -1.602) 2.907 36.903 ( -0.597 -0.345 4.973) 5.021 37.688 ( -8.184 -4.725 -24.648) 26.398 39.200 ( 21.205 12.242 12.639) 27.555 ======================= Grid point 560 (179/231) ======================= q-point: (-0.23 0.23 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.193 ( -21.168 -12.221 4.777) 24.905 4.733 ( -11.094 -6.405 -34.016) 36.348 4.843 ( 17.228 9.947 -14.612) 24.683 5.217 ( 6.383 3.685 -6.727) 9.979 6.140 ( 7.453 4.303 15.902) 18.081 6.448 ( -2.517 -1.453 -13.509) 13.818 7.163 ( -3.561 -2.056 4.869) 6.373 7.243 ( -17.182 -9.920 -12.174) 23.277 8.501 ( 21.708 12.533 3.052) 25.251 8.548 ( 10.112 5.838 -4.352) 12.461 9.090 ( 3.560 2.055 10.400) 11.183 9.630 ( -24.229 -13.989 30.713) 41.546 10.467 ( -4.086 -2.359 -6.988) 8.432 10.639 ( -7.104 -4.102 -2.075) 8.462 11.238 ( 6.376 3.681 -0.609) 7.388 11.299 ( -19.038 -10.992 4.721) 22.484 12.162 ( 9.134 5.274 -6.320) 12.296 12.587 ( 12.663 7.311 4.979) 15.446 17.388 ( 6.354 3.668 -3.937) 8.327 17.737 ( 3.515 2.029 5.492) 6.829 18.562 ( 1.480 0.854 -9.004) 9.165 19.182 ( -1.827 -1.055 3.851) 4.391 20.433 ( -4.817 -2.781 0.855) 5.627 20.560 ( 2.871 1.657 1.194) 3.523 27.486 ( -1.815 -1.048 0.835) 2.256 27.552 ( 2.713 1.566 0.646) 3.199 36.542 ( 0.185 0.107 -0.385) 0.440 36.894 ( -2.382 -1.375 4.729) 5.471 37.367 ( -10.849 -6.263 -19.997) 23.597 39.658 ( 16.393 9.464 6.973) 20.173 ======================= Grid point 567 (180/231) ======================= q-point: ( 0.31 0.31 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.532 ( 0.000 13.025 36.027) 38.309 2.971 ( 0.000 26.580 41.768) 49.508 4.322 ( 0.000 18.012 62.732) 65.267 5.054 ( -0.000 -9.539 -14.252) 17.150 5.559 ( -0.000 10.511 -4.611) 11.478 6.845 ( 0.000 -5.681 7.462) 9.379 6.997 ( -0.000 7.585 -2.837) 8.099 7.780 ( -0.000 -17.781 -6.729) 19.012 8.172 ( 0.000 -0.133 21.028) 21.028 8.289 ( -0.000 6.675 -6.132) 9.064 8.426 ( -0.000 -3.903 -23.102) 23.429 10.159 ( 0.000 -3.116 4.727) 5.661 10.205 ( -0.000 -1.804 -15.313) 15.419 10.497 ( 0.000 13.619 9.770) 16.761 11.322 ( -0.000 0.221 -5.722) 5.727 11.336 ( -0.000 0.393 -10.103) 10.111 14.029 ( -0.000 -17.132 -0.724) 17.148 14.256 ( -0.000 1.596 -6.354) 6.552 18.110 ( -0.000 -6.638 0.067) 6.639 18.137 ( 0.000 -5.209 1.852) 5.528 18.259 ( -0.000 2.607 -1.754) 3.142 18.371 ( 0.000 4.099 -0.323) 4.112 21.610 ( 0.000 -6.078 13.175) 14.510 22.509 ( -0.000 -40.095 2.261) 40.159 27.360 ( 0.000 -0.189 0.322) 0.373 27.382 ( -0.000 -0.112 -0.301) 0.321 35.952 ( 0.000 0.843 2.702) 2.831 36.411 ( -0.000 1.555 -3.881) 4.181 36.537 ( -0.000 6.642 -2.483) 7.091 36.721 ( -0.000 61.171 -14.320) 62.825 ======================= Grid point 568 (181/231) ======================= q-point: ( 0.38 0.31 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.874 ( 1.382 24.311 28.044) 37.140 3.330 ( -8.419 19.329 40.609) 45.756 4.837 ( -0.642 -4.241 -13.335) 14.008 5.092 ( 27.384 20.190 47.620) 58.525 5.739 ( 14.669 3.912 -8.462) 17.381 6.795 ( -2.824 -7.916 7.024) 10.953 6.991 ( -5.607 0.901 -1.446) 5.860 7.601 ( 0.166 -9.472 -2.961) 9.925 8.217 ( -8.976 6.143 -17.909) 20.953 8.264 ( -1.770 -1.219 -17.483) 17.615 8.393 ( 10.337 1.868 20.062) 22.645 10.125 ( 9.249 -4.938 -15.378) 18.612 10.289 ( 5.317 0.803 9.370) 10.804 10.693 ( 4.119 9.581 11.357) 15.419 11.275 ( -1.095 -0.919 -9.834) 9.937 11.320 ( 1.599 2.547 -3.540) 4.645 13.742 ( -10.413 -23.115 -1.267) 25.384 14.005 ( -26.345 -3.217 -6.857) 27.412 18.014 ( -5.599 -4.030 -0.698) 6.934 18.108 ( 5.779 -10.225 -1.274) 11.814 18.284 ( -1.344 3.683 0.789) 3.999 18.415 ( 1.562 4.939 -1.321) 5.346 21.552 ( -6.126 -9.095 11.145) 15.635 21.991 ( -18.508 -33.942 8.727) 39.633 27.352 ( -1.034 0.054 0.246) 1.064 27.389 ( 0.925 0.888 -0.900) 1.567 36.146 ( 16.989 -0.441 1.890) 17.099 36.371 ( -3.407 3.721 -4.242) 6.592 36.733 ( 14.775 8.523 1.489) 17.122 37.303 ( 12.603 54.768 -25.582) 61.748 ======================= Grid point 569 (182/231) ======================= q-point: ( 0.46 0.31 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.299 ( 2.819 32.097 18.707) 37.257 3.535 ( -5.063 11.696 32.554) 34.960 4.808 ( 10.631 0.048 -11.799) 15.882 5.847 ( 15.513 1.592 21.115) 26.249 6.011 ( 21.478 3.485 -1.095) 21.787 6.684 ( -9.733 -10.349 8.369) 16.489 6.877 ( 2.937 -0.145 -0.319) 2.958 7.586 ( 3.159 -0.976 0.864) 3.417 8.005 ( -8.058 5.980 -25.084) 27.017 8.147 ( -2.002 1.493 -15.581) 15.780 8.713 ( 9.460 6.650 17.911) 21.320 10.199 ( 11.799 -6.967 -6.556) 15.190 10.413 ( 4.417 0.813 5.726) 7.277 10.897 ( 3.280 7.155 10.427) 13.064 11.179 ( -3.059 -3.698 -6.881) 8.389 11.403 ( 6.070 3.758 -0.114) 7.140 13.276 ( -24.786 -21.277 -0.438) 32.669 13.377 ( -30.481 -10.792 -3.319) 32.505 17.826 ( -10.383 -5.182 -1.978) 11.771 18.118 ( 3.445 -7.992 -4.542) 9.817 18.307 ( 3.027 2.480 2.572) 4.683 18.501 ( 2.992 6.392 -2.371) 7.445 21.364 ( -10.837 -10.722 7.188) 16.854 21.475 ( -17.579 -22.800 10.186) 30.539 27.337 ( -1.161 0.745 0.310) 1.414 27.418 ( 1.889 1.629 -1.497) 2.909 36.351 ( -0.835 4.662 -4.163) 6.306 36.423 ( 15.726 -0.938 1.850) 15.863 37.165 ( 24.018 10.568 7.337) 27.247 37.782 ( 9.277 37.927 -30.638) 49.631 ======================= Grid point 570 (183/231) ======================= q-point: ( 0.54 0.31 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.667 ( -1.557 21.614 16.051) 26.967 3.798 ( 7.054 22.282 10.444) 25.599 5.054 ( 21.925 1.006 -7.841) 23.307 6.003 ( 9.156 -7.348 -2.659) 12.037 6.104 ( -6.785 -13.368 9.430) 17.711 6.412 ( -14.680 -3.251 3.271) 15.387 7.177 ( 19.317 2.902 -0.634) 19.544 7.651 ( 10.107 -11.622 -2.485) 15.601 7.894 ( -2.960 17.564 -16.868) 24.531 8.096 ( 3.154 2.882 -9.790) 10.681 8.894 ( -6.654 6.306 10.469) 13.915 10.267 ( 7.335 -10.720 2.929) 13.315 10.533 ( 5.277 3.679 6.174) 8.916 11.012 ( -1.572 2.200 5.878) 6.470 11.036 ( -6.179 -0.944 -4.897) 7.941 11.537 ( 6.195 -0.087 0.920) 6.263 12.585 ( -32.255 -10.945 0.446) 34.065 12.953 ( -11.280 -14.996 2.775) 18.969 17.596 ( -10.564 -4.008 -2.253) 11.521 17.994 ( -5.922 -6.165 -3.957) 9.420 18.463 ( 9.818 1.579 0.741) 9.972 18.596 ( 4.022 6.005 -2.960) 7.810 21.098 ( -13.435 -14.856 7.976) 21.559 21.100 ( -12.284 -10.423 3.404) 16.466 27.341 ( -0.000 1.877 0.715) 2.009 27.460 ( 2.119 1.664 -1.569) 3.118 36.381 ( 1.253 5.218 -3.583) 6.452 36.649 ( 11.849 -1.278 2.500) 12.177 37.735 ( 26.822 10.562 9.145) 30.243 38.000 ( 1.880 23.864 -26.910) 36.017 ======================= Grid point 571 (184/231) ======================= q-point: ( 0.62 0.31 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.904 ( 7.232 11.029 3.237) 13.581 4.202 ( 8.642 31.311 -3.483) 32.668 5.178 ( -0.190 -14.291 -10.790) 17.908 5.961 ( -2.071 -8.798 19.266) 21.281 6.121 ( -6.073 -1.224 -17.706) 18.758 6.162 ( 2.563 4.403 12.116) 13.144 7.318 ( 12.965 -12.406 -15.745) 23.873 7.617 ( 6.410 -19.826 -8.880) 22.649 7.982 ( -0.247 20.281 -12.095) 23.615 8.297 ( 13.527 0.656 4.501) 14.271 8.733 ( -23.260 12.947 11.053) 28.824 10.253 ( 0.445 -13.689 10.946) 17.533 10.716 ( 7.528 2.484 5.538) 9.670 10.854 ( -7.320 -3.131 -1.877) 8.180 11.020 ( -6.553 5.757 0.031) 8.723 11.605 ( 5.212 -3.181 -0.050) 6.107 12.148 ( -12.681 -5.141 0.843) 13.709 12.712 ( -8.187 -11.327 5.371) 14.973 17.409 ( -7.847 -1.110 -2.160) 8.214 17.822 ( -6.114 -4.611 -1.991) 7.913 18.559 ( 1.249 2.321 -4.307) 5.049 18.775 ( 12.326 3.767 0.900) 12.920 20.827 ( -10.257 -9.970 5.351) 15.272 20.836 ( -10.454 -8.047 0.739) 13.213 27.381 ( 1.659 2.844 1.188) 3.500 27.497 ( 1.526 1.155 -1.067) 2.191 36.444 ( 2.158 5.114 -2.490) 6.084 36.803 ( 7.603 -2.085 2.649) 8.317 37.933 ( -6.405 13.164 -25.267) 29.202 38.395 ( 27.268 10.184 12.861) 31.822 ======================= Grid point 572 (185/231) ======================= q-point: ( 0.69 0.31 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.122 ( 13.342 2.745 -13.283) 19.025 4.615 ( 10.632 32.154 -13.379) 36.413 4.841 ( -15.118 -13.419 -1.521) 20.272 5.696 ( -22.887 -6.793 -12.532) 26.963 5.987 ( 1.625 -5.293 19.288) 20.067 6.432 ( 6.054 7.210 -7.226) 11.868 7.238 ( 2.478 -28.300 -11.881) 30.792 7.598 ( 21.056 -5.329 -2.214) 21.833 8.052 ( -12.425 13.845 -7.058) 19.897 8.319 ( -2.422 10.593 1.972) 11.044 8.849 ( 7.189 10.796 14.302) 19.308 10.144 ( -6.346 -13.705 17.341) 22.996 10.649 ( -6.549 -4.664 -4.637) 9.281 10.812 ( -3.732 -3.078 -1.773) 5.152 11.038 ( 1.909 9.463 3.350) 10.218 11.643 ( 4.679 -10.722 2.902) 12.053 12.043 ( -1.586 0.751 1.151) 2.098 12.487 ( -8.673 -7.608 -0.110) 11.538 17.309 ( -2.962 1.116 -2.576) 4.081 17.723 ( -2.101 -1.247 1.964) 3.135 18.549 ( -0.705 2.239 -7.052) 7.433 19.012 ( 11.416 1.589 2.927) 11.892 20.629 ( -7.461 -5.491 0.144) 9.265 20.636 ( -6.748 -5.584 2.581) 9.131 27.450 ( 2.533 2.573 1.025) 3.754 27.518 ( 0.474 0.858 -0.013) 0.981 36.511 ( 1.539 4.326 -1.285) 4.768 36.884 ( 3.814 -2.976 2.389) 5.396 37.749 ( -12.712 8.189 -21.705) 26.453 38.973 ( 25.603 6.833 12.295) 29.213 ======================= Grid point 573 (186/231) ======================= q-point: (-0.23 0.31 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.175 ( 8.571 -12.566 -21.147) 26.050 4.515 ( -15.945 -4.806 3.620) 17.043 4.987 ( 10.527 28.283 -21.060) 36.800 5.248 ( -18.047 0.562 -7.704) 19.631 6.128 ( 6.523 0.690 16.887) 18.116 6.418 ( -2.050 0.911 -13.591) 13.774 6.927 ( 1.562 -28.519 -3.683) 28.798 7.657 ( -20.651 7.982 -1.666) 22.202 8.202 ( 23.548 8.453 -2.533) 25.147 8.504 ( 6.747 13.335 0.291) 14.947 9.088 ( 5.713 2.845 9.642) 11.563 9.978 ( -13.340 -11.889 24.267) 30.136 10.493 ( -5.600 -1.853 -4.482) 7.408 10.689 ( -5.003 -2.629 -2.048) 6.012 11.159 ( 2.623 0.686 1.082) 2.920 11.507 ( -9.563 -14.093 5.120) 17.784 12.014 ( 2.363 -2.709 -3.519) 5.031 12.460 ( 9.124 3.603 -0.554) 9.825 17.308 ( 2.971 1.590 -3.350) 4.751 17.750 ( 1.889 2.709 5.362) 6.298 18.522 ( -0.255 2.437 -8.792) 9.128 19.166 ( 4.827 -1.793 3.358) 6.147 20.488 ( -5.081 -3.189 0.327) 6.008 20.551 ( -0.645 -1.155 1.403) 1.928 27.487 ( 0.178 -0.987 0.063) 1.005 27.551 ( 1.256 2.992 1.164) 3.448 36.554 ( -0.073 2.973 -0.083) 2.975 36.900 ( 0.967 -3.700 1.670) 4.173 37.483 ( -15.735 5.743 -16.536) 23.538 39.451 ( 21.089 3.354 7.304) 22.568 ======================= Grid point 581 (187/231) ======================= q-point: ( 0.38 0.38 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.216 ( 0.000 23.870 24.516) 34.217 3.889 ( 0.000 27.687 37.252) 46.415 4.725 ( -0.000 -2.511 -20.449) 20.603 5.259 ( 0.000 18.249 48.030) 51.380 5.550 ( -0.000 -4.512 -14.972) 15.637 6.797 ( 0.000 -10.989 11.613) 15.989 6.972 ( -0.000 -9.589 -2.700) 9.962 7.536 ( -0.000 2.514 -4.723) 5.351 8.115 ( -0.000 -0.672 -24.338) 24.348 8.240 ( -0.000 -1.206 -9.029) 9.110 8.578 ( 0.000 17.825 24.531) 30.323 9.880 ( -0.000 -8.632 -17.049) 19.110 10.346 ( 0.000 4.120 14.998) 15.553 10.773 ( 0.000 3.903 11.187) 11.848 11.221 ( -0.000 -0.349 -12.331) 12.336 11.319 ( -0.000 3.203 -1.597) 3.579 13.558 ( -0.000 -30.520 -2.499) 30.622 14.176 ( -0.000 -0.948 -12.624) 12.659 17.923 ( -0.000 -11.767 -1.483) 11.860 18.038 ( 0.000 -6.968 2.115) 7.282 18.352 ( -0.000 8.934 -2.518) 9.282 18.423 ( 0.000 1.374 0.413) 1.435 21.558 ( 0.000 -12.294 10.310) 16.045 21.832 ( 0.000 -36.171 7.410) 36.922 27.366 ( 0.000 0.688 0.316) 0.757 27.384 ( -0.000 1.103 -1.305) 1.709 36.035 ( 0.000 5.329 1.440) 5.520 36.473 ( 0.000 7.169 0.532) 7.189 36.654 ( -0.000 7.953 -1.231) 8.048 37.621 ( -0.000 53.667 -23.576) 58.617 ======================= Grid point 582 (188/231) ======================= q-point: ( 0.46 0.38 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.592 ( 5.903 23.542 18.561) 30.555 4.131 ( -19.197 25.004 34.267) 46.561 4.625 ( 1.812 1.398 -17.008) 17.161 5.476 ( 13.985 -16.291 -20.317) 29.560 5.862 ( 20.374 13.553 34.648) 42.417 6.697 ( -3.213 -12.404 9.642) 16.036 6.885 ( -0.281 -6.494 5.354) 8.421 7.543 ( 0.470 -0.656 -7.540) 7.583 8.000 ( -3.386 6.130 -18.696) 19.964 8.135 ( -4.308 2.166 -19.019) 19.621 8.903 ( 0.214 22.471 27.957) 35.869 9.838 ( 14.148 -10.893 -12.316) 21.691 10.454 ( -0.491 3.674 12.779) 13.306 10.910 ( 6.624 0.024 13.438) 14.982 11.143 ( -1.354 -0.889 -11.903) 12.013 11.363 ( 2.199 3.233 -0.555) 3.949 13.195 ( -5.643 -32.049 -2.278) 32.622 13.840 ( -28.164 -5.341 -12.035) 31.090 17.866 ( 5.329 -13.430 -1.639) 14.541 17.932 ( -4.054 -3.790 -0.898) 5.622 18.377 ( -3.356 3.693 1.820) 5.311 18.490 ( 3.640 6.401 -2.768) 7.866 21.427 ( -6.237 -14.068 7.260) 17.015 21.485 ( -8.129 -28.491 7.619) 30.592 27.367 ( -1.003 1.257 0.357) 1.647 27.401 ( 1.243 1.877 -1.805) 2.886 36.196 ( 11.513 4.304 0.266) 12.294 36.456 ( -6.670 7.779 -0.553) 10.262 36.935 ( 19.624 9.320 4.921) 22.275 37.971 ( 0.450 43.695 -24.641) 50.166 ======================= Grid point 583 (189/231) ======================= q-point: ( 0.54 0.38 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.976 ( 2.333 15.851 16.236) 22.810 4.225 ( -16.121 35.137 21.711) 44.338 4.682 ( 14.842 -2.092 -10.713) 18.424 5.483 ( 22.059 -18.107 -24.077) 37.338 6.213 ( -2.385 -4.910 24.122) 24.732 6.575 ( -5.820 -12.883 10.446) 17.577 7.018 ( 10.042 8.798 6.473) 14.837 7.415 ( -0.993 -12.198 -13.285) 18.063 7.914 ( 3.536 -3.458 -12.528) 13.469 8.070 ( -3.998 19.657 -17.307) 26.494 9.221 ( -5.578 22.470 22.279) 32.131 9.941 ( 16.599 -13.749 -5.685) 22.290 10.547 ( 1.762 3.193 9.872) 10.524 10.998 ( -1.624 -8.354 0.993) 8.568 11.115 ( 2.798 6.410 1.641) 7.184 11.431 ( 4.598 -0.376 -2.017) 5.035 12.809 ( -7.346 -27.276 2.592) 28.367 13.175 ( -35.301 -6.947 -8.129) 36.885 17.712 ( -7.998 -7.219 1.466) 10.873 17.910 ( 3.927 -6.294 -7.413) 10.487 18.396 ( 2.054 2.538 4.160) 5.289 18.585 ( 2.140 6.737 -4.036) 8.140 21.154 ( -8.944 -20.029 6.563) 22.896 21.188 ( -9.914 -13.512 3.505) 17.121 27.370 ( -0.617 2.124 0.799) 2.352 27.436 ( 1.810 2.258 -2.114) 3.584 36.433 ( 13.338 1.756 -0.480) 13.462 36.443 ( -3.260 7.787 -1.287) 8.540 37.443 ( 26.625 8.783 10.705) 30.010 38.170 ( -4.688 32.324 -23.815) 40.422 ======================= Grid point 584 (190/231) ======================= q-point: ( 0.62 0.38 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.081 ( -7.808 10.664 10.746) 17.034 4.475 ( -4.272 31.610 0.171) 31.898 4.888 ( 14.510 -5.656 -2.497) 15.773 5.701 ( 30.386 -0.327 -16.505) 34.580 6.135 ( -9.090 -8.290 19.761) 23.277 6.372 ( -12.283 -8.442 11.392) 18.760 7.053 ( -3.747 -7.447 -16.048) 18.084 7.259 ( 6.567 -19.674 -12.229) 24.078 8.064 ( 17.023 2.130 3.632) 17.536 8.146 ( -1.889 21.772 -12.133) 24.996 9.293 ( -20.051 17.844 13.529) 30.058 10.028 ( 12.592 -16.915 2.012) 21.183 10.658 ( 3.687 -1.190 6.375) 7.460 10.872 ( -2.367 -5.183 -4.992) 7.576 11.195 ( -4.514 8.262 2.854) 9.837 11.479 ( 5.917 -3.695 -2.341) 7.358 12.406 ( -21.755 -12.494 7.049) 26.059 12.707 ( -7.281 -12.447 -1.861) 14.539 17.541 ( -8.726 -1.777 1.842) 9.093 17.819 ( -2.111 -6.418 -6.408) 9.311 18.532 ( 6.344 3.680 2.418) 7.723 18.649 ( 3.849 3.709 -3.752) 6.530 20.891 ( -7.910 -13.560 4.705) 16.388 20.919 ( -9.909 -10.814 0.721) 14.685 27.399 ( 0.580 3.071 1.313) 3.390 27.475 ( 1.797 1.887 -1.823) 3.180 36.479 ( -0.568 7.454 -1.101) 7.556 36.635 ( 10.910 -0.328 -0.675) 10.936 38.010 ( 21.523 9.086 8.897) 24.999 38.205 ( -3.509 20.053 -16.676) 26.316 ======================= Grid point 585 (191/231) ======================= q-point: ( 0.69 0.38 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.080 ( -5.685 8.008 -4.620) 10.853 4.612 ( 6.417 -1.096 -7.888) 10.227 5.010 ( -6.492 21.215 4.297) 22.598 5.934 ( -15.122 -0.501 -12.451) 19.595 6.034 ( 1.219 -3.848 17.854) 18.305 6.341 ( 9.147 4.529 2.513) 10.511 6.840 ( 5.180 -21.498 -17.477) 28.186 7.139 ( 16.701 -15.967 -6.556) 24.018 8.249 ( -2.126 18.475 -10.683) 21.447 8.379 ( 10.013 3.537 8.771) 13.773 9.138 ( -19.641 13.526 9.625) 25.716 10.045 ( 6.834 -18.188 8.456) 21.190 10.638 ( -1.906 -7.328 -0.559) 7.593 10.813 ( 1.034 -2.082 -6.112) 6.539 11.187 ( -6.407 9.177 2.104) 11.388 11.504 ( 1.620 -7.473 1.301) 7.757 12.119 ( -7.669 -2.488 6.460) 10.331 12.511 ( -4.628 -12.655 -0.214) 13.476 17.412 ( -8.285 2.209 -0.284) 8.579 17.722 ( 0.160 -4.653 -0.486) 4.681 18.578 ( -2.821 5.363 -5.951) 8.493 18.824 ( 13.532 -0.352 2.711) 13.806 20.690 ( -6.922 -8.006 1.536) 10.695 20.694 ( -6.948 -7.619 0.820) 10.344 27.453 ( 1.226 3.243 0.925) 3.589 27.509 ( 1.551 1.218 -0.544) 2.046 36.541 ( 0.345 6.556 -0.485) 6.583 36.768 ( 7.232 -1.718 -0.869) 7.484 38.016 ( -16.390 17.039 -15.893) 28.488 38.634 ( 28.371 2.030 11.171) 30.559 ======================= Grid point 586 (192/231) ======================= q-point: (-0.23 0.38 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.988 ( -4.065 0.596 -13.061) 13.692 4.645 ( 3.741 -3.322 -2.321) 5.515 5.048 ( -12.960 6.388 6.028) 15.655 5.617 ( -18.646 22.977 -18.441) 34.867 6.131 ( 3.832 0.491 15.700) 16.168 6.380 ( -0.402 -0.507 -11.230) 11.248 6.581 ( 3.233 -28.646 -8.024) 29.924 7.586 ( 33.454 4.369 -0.943) 33.752 8.219 ( -12.776 10.399 -6.040) 17.546 8.559 ( 3.084 9.472 5.337) 11.301 9.104 ( -1.593 4.458 6.715) 8.216 10.020 ( 3.215 -15.966 14.109) 21.548 10.532 ( -3.039 -3.157 -1.381) 4.594 10.749 ( -3.808 -1.548 -4.450) 6.058 11.192 ( -2.729 3.468 1.123) 4.554 11.388 ( -0.805 -16.398 2.044) 16.544 12.065 ( -6.585 -3.697 5.980) 9.633 12.369 ( 2.257 -1.696 -3.991) 4.888 17.320 ( -4.320 2.657 -2.564) 5.683 17.744 ( 3.971 -1.201 5.168) 6.627 18.538 ( -3.110 5.332 -8.438) 10.455 19.031 ( 10.772 -2.611 3.147) 11.523 20.537 ( -4.999 -3.981 -0.201) 6.393 20.567 ( -2.980 -3.798 1.392) 5.025 27.484 ( -0.202 0.975 -0.563) 1.144 27.556 ( 2.026 2.007 1.292) 3.131 36.597 ( -0.409 5.024 0.233) 5.046 36.830 ( 3.598 -2.399 -1.328) 4.523 37.795 ( -19.410 13.807 -11.415) 26.413 39.118 ( 25.135 -2.204 7.351) 26.281 ======================= Grid point 595 (193/231) ======================= q-point: ( 0.46 0.46 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.762 ( 0.000 12.349 8.265) 14.859 4.624 ( -0.000 12.005 -9.541) 15.334 4.682 ( 0.000 13.555 29.717) 32.663 5.062 ( -0.000 -17.492 -23.234) 29.082 5.989 ( 0.000 16.702 31.399) 35.565 6.653 ( 0.000 -16.291 11.504) 19.943 6.836 ( 0.000 -4.536 6.715) 8.103 7.448 ( -0.000 -5.964 -14.374) 15.562 8.093 ( -0.000 -0.647 -14.518) 14.532 8.108 ( -0.000 20.080 -12.479) 23.642 9.302 ( 0.000 28.823 28.204) 40.326 9.514 ( -0.000 -14.205 -13.198) 19.390 10.578 ( 0.000 3.217 14.863) 15.207 10.877 ( 0.000 -4.113 11.284) 12.010 11.088 ( -0.000 -0.091 -12.440) 12.441 11.378 ( 0.000 2.027 1.699) 2.645 12.902 ( -0.000 -34.004 -4.232) 34.267 13.937 ( -0.000 -9.020 -16.893) 19.150 17.669 ( -0.000 -12.832 -2.018) 12.990 17.933 ( 0.000 -5.996 1.307) 6.137 18.435 ( 0.000 -1.048 1.672) 1.973 18.526 ( -0.000 12.667 -3.209) 13.068 21.318 ( 0.000 -26.605 6.210) 27.320 21.368 ( 0.000 -16.201 5.530) 17.119 27.394 ( -0.000 1.972 -2.275) 3.010 27.396 ( 0.000 2.076 0.451) 2.124 36.165 ( 0.000 7.483 0.155) 7.484 36.679 ( 0.000 9.485 8.161) 12.513 36.797 ( 0.000 7.979 -0.548) 7.997 38.252 ( -0.000 40.020 -22.360) 45.843 ======================= Grid point 596 (194/231) ======================= q-point: ( 0.54 0.46 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.999 ( 15.289 8.592 2.652) 17.737 4.519 ( -4.244 -11.108 -4.586) 12.745 4.903 ( 15.271 -5.423 -14.768) 21.925 4.938 ( -16.330 24.988 21.310) 36.677 6.319 ( 3.422 3.727 21.238) 21.833 6.523 ( -3.619 -14.982 10.879) 18.865 6.941 ( 10.276 0.250 4.269) 11.130 7.320 ( -1.132 -3.171 -10.229) 10.769 7.875 ( -11.602 -2.858 -13.443) 17.985 8.248 ( -1.727 21.654 -11.596) 24.624 9.463 ( 16.098 -13.990 -8.541) 22.974 9.684 ( -4.085 26.932 22.421) 35.281 10.629 ( -2.658 0.467 11.428) 11.742 10.942 ( 1.717 -8.177 6.104) 10.347 11.057 ( 6.155 2.645 -4.856) 8.274 11.401 ( -0.030 0.997 0.779) 1.265 12.579 ( 0.285 -29.104 -2.335) 29.199 13.539 ( -23.673 -12.465 -15.111) 30.727 17.599 ( 5.613 -12.804 -1.525) 14.063 17.860 ( -2.814 -2.795 -1.144) 4.128 18.421 ( -0.759 -1.293 3.266) 3.594 18.635 ( 0.055 12.338 -3.704) 12.882 21.090 ( -3.634 -20.843 5.095) 21.763 21.191 ( -5.313 -16.014 2.774) 17.099 27.399 ( -0.274 1.953 -0.515) 2.039 27.428 ( 0.898 3.003 -1.314) 3.399 36.297 ( 7.259 6.361 -0.510) 9.665 36.627 ( -9.783 8.416 2.920) 13.230 37.162 ( 22.892 7.093 8.641) 25.476 38.453 ( -4.747 33.300 -20.513) 39.398 ======================= Grid point 597 (195/231) ======================= q-point: ( 0.62 0.46 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.302 ( 1.032 2.086 7.216) 7.582 4.411 ( 11.345 -11.451 -9.071) 18.496 4.978 ( 11.187 12.098 6.031) 17.547 5.225 ( 7.396 23.305 -0.185) 24.451 6.331 ( -9.415 -7.301 19.731) 23.049 6.392 ( -1.285 -14.835 8.667) 17.229 6.954 ( 2.571 -14.216 -15.243) 21.002 7.169 ( -19.384 1.659 -9.332) 21.578 7.844 ( 15.410 5.234 4.092) 16.781 8.337 ( -3.724 20.323 -11.516) 23.655 9.590 ( 19.648 -16.946 -4.786) 26.384 9.839 ( -16.501 20.086 13.819) 29.439 10.645 ( -0.295 -3.465 7.913) 8.644 10.834 ( -3.398 -7.118 -3.132) 8.487 11.240 ( 10.527 1.459 2.201) 10.853 11.401 ( -2.015 3.144 -0.197) 3.740 12.379 ( 3.112 -21.524 4.570) 22.223 12.917 ( -27.849 -10.951 -10.459) 31.700 17.560 ( 3.183 -10.812 2.278) 11.499 17.782 ( -3.978 0.017 -6.354) 7.496 18.457 ( 4.937 -1.171 5.216) 7.276 18.702 ( -2.777 10.730 -4.590) 11.997 20.878 ( -4.539 -14.919 3.750) 16.039 20.952 ( -7.501 -13.323 0.376) 15.294 27.421 ( 0.698 2.064 0.810) 2.325 27.465 ( 0.962 3.312 -2.024) 3.999 36.479 ( 9.111 3.842 -1.090) 9.948 36.596 ( -4.988 7.883 1.440) 9.439 37.680 ( 27.623 3.382 12.428) 30.479 38.504 ( -11.293 26.529 -17.917) 33.946 ======================= Grid point 598 (196/231) ======================= q-point: ( 0.69 0.46 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.299 ( -5.150 2.711 2.435) 6.309 4.358 ( 3.272 -10.937 -5.682) 12.752 5.435 ( -1.744 30.984 15.335) 34.615 5.671 ( 33.951 10.555 -15.457) 38.768 6.162 ( -10.799 -11.031 20.503) 25.665 6.306 ( 1.407 -10.526 6.954) 12.694 6.714 ( -11.642 -9.296 -11.883) 19.057 6.784 ( -4.946 -8.618 -16.640) 19.381 8.241 ( 16.843 6.607 10.226) 20.783 8.403 ( -2.892 17.353 -10.896) 20.693 9.660 ( -14.551 1.215 6.584) 16.017 9.716 ( 5.088 -9.567 -0.794) 10.865 10.618 ( -1.880 -5.303 5.286) 7.720 10.714 ( -0.121 -5.675 -6.897) 8.933 11.380 ( -3.121 4.836 2.057) 6.112 11.399 ( 3.864 -2.213 -0.635) 4.498 12.269 ( -4.808 -12.307 12.478) 18.174 12.444 ( -10.193 -8.639 -10.224) 16.824 17.542 ( 0.289 -4.430 6.457) 7.836 17.656 ( -4.831 -1.379 -8.386) 9.776 18.612 ( 10.893 -0.733 5.578) 12.260 18.699 ( -4.904 8.484 -5.845) 11.410 20.705 ( -4.374 -9.882 2.331) 11.055 20.729 ( -6.539 -9.073 -0.794) 11.212 27.468 ( 1.698 2.222 1.681) 3.263 27.496 ( 0.688 2.658 -2.008) 3.401 36.618 ( -1.905 7.010 0.941) 7.325 36.637 ( 7.726 1.631 -1.378) 8.016 38.211 ( 27.672 -0.752 12.414) 30.338 38.414 ( -15.913 20.604 -14.451) 29.775 ======================= Grid point 599 (197/231) ======================= q-point: ( 0.77 0.46 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.135 ( -13.735 6.095 -5.422) 15.975 4.419 ( 12.954 -8.598 0.545) 15.558 5.486 ( -25.268 3.932 11.346) 27.976 5.896 ( 4.463 -0.192 -10.347) 11.271 6.161 ( 1.117 3.951 6.929) 8.054 6.232 ( -0.408 -7.160 -9.579) 11.966 6.476 ( -12.336 11.016 -7.668) 18.230 6.988 ( 40.551 0.790 3.129) 40.679 8.430 ( -5.730 11.436 -8.831) 15.544 8.553 ( 9.743 3.056 9.045) 13.641 9.367 ( -20.874 5.111 1.139) 21.521 9.765 ( 12.831 -19.836 6.536) 24.511 10.557 ( -3.478 -1.619 3.486) 5.184 10.663 ( 3.676 -4.153 -8.724) 10.338 11.297 ( -7.065 -0.466 0.730) 7.118 11.361 ( -4.947 -9.857 2.002) 11.209 12.162 ( -4.946 -1.643 8.693) 10.135 12.282 ( 1.049 -6.584 -6.853) 9.561 17.459 ( -9.738 3.736 -2.221) 10.664 17.639 ( 7.378 -5.933 3.446) 10.075 18.644 ( -6.520 8.567 -6.484) 12.567 18.829 ( 12.739 -2.486 4.229) 13.651 20.571 ( -4.457 -4.946 -0.667) 6.692 20.580 ( -3.079 -5.578 1.092) 6.464 27.505 ( -0.782 2.391 -0.994) 2.705 27.536 ( 2.796 1.056 1.224) 3.229 36.661 ( -1.039 5.582 0.820) 5.737 36.741 ( 5.004 0.218 -1.526) 5.236 38.223 ( -20.680 18.285 -8.748) 28.958 38.689 ( 27.166 -6.334 7.640) 28.922 ======================= Grid point 609 (198/231) ======================= q-point: ( 0.54 0.54 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.890 ( -0.000 5.792 -4.834) 7.544 4.250 ( -0.000 -26.223 -14.698) 30.061 4.904 ( 0.000 11.784 7.125) 13.771 5.328 ( 0.000 8.096 23.737) 25.080 6.319 ( 0.000 -7.538 2.458) 7.929 6.689 ( 0.000 11.256 24.373) 26.846 6.780 ( -0.000 -8.439 -6.910) 10.907 7.284 ( -0.000 5.195 -0.989) 5.288 7.948 ( -0.000 -0.239 -11.952) 11.955 8.379 ( -0.000 13.210 -5.646) 14.366 9.113 ( -0.000 -12.144 -12.880) 17.702 10.099 ( 0.000 26.855 18.651) 32.697 10.714 ( 0.000 -4.139 10.724) 11.495 10.879 ( 0.000 -6.562 10.087) 12.034 10.988 ( -0.000 2.735 -10.206) 10.566 11.424 ( 0.000 1.289 3.728) 3.945 12.301 ( -0.000 -23.757 -3.583) 24.026 13.496 ( -0.000 -19.259 -17.914) 26.302 17.431 ( -0.000 -10.268 -1.269) 10.346 17.844 ( -0.000 -4.068 -0.224) 4.074 18.424 ( 0.000 -2.474 3.238) 4.075 18.752 ( -0.000 14.706 -3.253) 15.062 20.956 ( 0.000 -18.044 3.951) 18.471 21.090 ( -0.000 -16.577 1.203) 16.620 27.413 ( -0.000 2.718 -2.634) 3.785 27.448 ( 0.000 2.690 0.571) 2.750 36.307 ( 0.000 7.566 -0.359) 7.575 36.923 ( -0.000 6.006 -1.069) 6.100 36.956 ( 0.000 6.544 15.197) 16.546 38.698 ( -0.000 30.590 -18.083) 35.536 ======================= Grid point 610 (199/231) ======================= q-point: ( 0.62 0.54 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.031 ( 6.626 -18.270 -6.114) 20.374 4.141 ( 21.867 8.938 -0.107) 23.624 4.953 ( -4.747 1.797 4.225) 6.604 5.497 ( 1.892 5.909 20.425) 21.347 6.249 ( -0.039 -9.577 2.549) 9.910 6.576 ( -7.154 -5.987 -2.604) 9.685 6.839 ( -7.892 4.494 4.951) 10.344 7.452 ( -5.208 9.141 3.621) 11.127 7.753 ( -2.141 2.658 -2.702) 4.353 8.466 ( 2.255 7.993 -7.421) 11.137 9.114 ( 15.273 -7.861 -10.676) 20.225 10.295 ( -10.337 15.607 7.777) 20.271 10.672 ( -2.332 -6.474 8.081) 10.614 10.829 ( -4.131 -5.817 2.287) 7.492 11.065 ( 9.179 1.656 -3.430) 9.938 11.481 ( -0.131 6.224 5.034) 8.006 12.141 ( 4.305 -15.188 0.120) 15.787 13.072 ( -15.556 -21.115 -14.448) 29.943 17.382 ( 4.657 -8.919 -0.240) 10.064 17.804 ( -0.875 -1.420 -2.149) 2.721 18.421 ( 0.745 -2.490 4.796) 5.455 18.850 ( -2.843 13.930 -3.402) 14.618 20.808 ( -1.716 -13.880 2.862) 14.275 20.912 ( -3.637 -14.531 -0.386) 14.984 27.429 ( 0.376 2.504 -1.461) 2.923 27.480 ( 0.533 2.984 -0.280) 3.044 36.411 ( 4.608 6.109 -0.604) 7.676 36.798 ( -10.216 5.828 3.387) 12.239 37.355 ( 22.450 1.846 12.230) 25.632 38.824 ( -7.115 26.622 -15.483) 31.608 ======================= Grid point 611 (200/231) ======================= q-point: ( 0.69 0.54 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.021 ( 10.402 -12.091 2.529) 16.149 4.522 ( -0.026 6.366 3.850) 7.440 5.088 ( 28.780 6.961 -5.105) 30.047 5.679 ( 7.064 -5.259 17.685) 19.756 6.181 ( -1.743 -3.282 2.454) 4.453 6.399 ( -6.466 -6.061 -0.203) 8.865 6.658 ( -16.699 -3.786 1.428) 17.182 7.139 ( -24.585 11.929 -7.369) 28.303 8.089 ( 17.230 8.664 10.274) 21.852 8.521 ( 0.104 9.688 -9.749) 13.744 9.254 ( 16.702 -11.386 -5.484) 20.944 10.136 ( -20.326 4.457 -3.308) 21.070 10.618 ( -1.124 -6.407 3.659) 7.463 10.717 ( -5.691 -1.915 4.295) 7.383 11.216 ( 10.001 -1.216 -1.700) 10.217 11.510 ( -4.755 0.918 0.671) 4.889 12.147 ( 6.158 -5.796 2.919) 8.946 12.566 ( -16.071 -15.735 -7.273) 23.638 17.397 ( 6.438 -7.849 1.617) 10.279 17.750 ( -4.701 1.709 -4.443) 6.691 18.481 ( 6.211 -1.926 6.686) 9.327 18.875 ( -6.534 11.729 -3.885) 13.977 20.676 ( -2.288 -9.838 1.736) 10.249 20.722 ( -4.368 -10.253 -1.217) 11.211 27.459 ( 1.428 1.631 0.180) 2.175 27.514 ( 0.380 3.232 -1.149) 3.451 36.544 ( 6.105 3.856 -0.814) 7.266 36.743 ( -5.190 5.343 2.318) 7.801 37.804 ( 25.827 -3.622 12.180) 28.784 38.811 ( -14.134 22.909 -12.113) 29.518 ======================= Grid point 623 (201/231) ======================= q-point: ( 0.62 0.62 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.878 ( 0.000 -6.640 8.210) 10.559 4.020 ( 0.000 11.615 0.828) 11.644 5.000 ( 0.000 -9.012 2.931) 9.477 5.521 ( 0.000 -9.687 17.161) 19.706 6.228 ( 0.000 -2.525 6.698) 7.158 6.454 ( -0.000 -8.256 -17.211) 19.089 7.186 ( 0.000 15.211 15.950) 22.040 7.540 ( 0.000 9.506 10.124) 13.887 7.864 ( -0.000 3.308 -7.326) 8.038 8.299 ( -0.000 -12.886 -4.686) 13.712 8.976 ( -0.000 11.217 -13.644) 17.663 10.489 ( -0.000 3.341 -0.922) 3.465 10.636 ( 0.000 -10.598 5.455) 11.919 10.842 ( 0.000 -6.197 3.677) 7.206 11.003 ( -0.000 6.996 -6.181) 9.335 11.612 ( 0.000 13.644 8.148) 15.892 11.996 ( -0.000 -7.795 0.941) 7.851 12.883 ( -0.000 -27.757 -13.724) 30.965 17.282 ( -0.000 -4.841 0.468) 4.864 17.778 ( -0.000 -1.887 -1.938) 2.705 18.421 ( 0.000 -2.057 5.137) 5.534 18.991 ( -0.000 13.709 -3.029) 14.040 20.714 ( 0.000 -11.492 2.010) 11.666 20.803 ( -0.000 -13.378 -1.209) 13.433 27.445 ( -0.000 3.459 -2.244) 4.123 27.497 ( 0.000 1.784 0.391) 1.826 36.430 ( 0.000 5.845 -0.409) 5.860 36.988 ( -0.000 2.689 -2.568) 3.719 37.199 ( 0.000 0.149 19.489) 19.490 39.052 ( -0.000 24.864 -13.352) 28.222 ======================= Grid point 624 (202/231) ======================= q-point: (-0.31 -0.38 -0.77) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.902 ( -0.292 0.155 14.396) 14.400 4.421 ( 23.748 15.908 10.652) 30.504 4.867 ( 0.339 -11.051 -3.760) 11.678 5.506 ( 4.196 -18.613 12.563) 22.844 6.224 ( -3.315 -0.316 -1.491) 3.649 6.338 ( 1.651 -2.699 -4.423) 5.438 7.069 ( -25.359 -3.159 10.233) 27.527 7.598 ( -15.164 15.035 -2.195) 21.466 7.935 ( 14.639 4.717 7.531) 17.125 8.379 ( 14.163 -1.645 -5.439) 15.261 9.042 ( 2.946 8.625 -11.026) 14.306 10.349 ( -10.718 -4.912 -9.696) 15.265 10.582 ( 0.504 -7.983 4.224) 9.046 10.781 ( -1.350 -5.272 2.414) 5.953 11.089 ( 5.290 5.250 -3.229) 8.122 11.646 ( -11.447 2.665 1.878) 11.902 12.050 ( 6.555 2.270 1.305) 7.058 12.524 ( -5.543 -21.775 -5.464) 23.125 17.277 ( 2.600 -2.914 1.612) 4.225 17.765 ( 0.690 0.436 -3.661) 3.751 18.443 ( 1.519 -1.202 6.945) 7.210 19.059 ( -4.303 11.111 -3.158) 12.327 20.620 ( -0.802 -8.818 1.102) 8.923 20.670 ( -1.752 -9.535 -1.592) 9.824 27.465 ( -0.059 2.480 -0.818) 2.612 27.522 ( 1.068 1.972 -0.621) 2.327 36.503 ( 3.224 4.165 -0.382) 5.281 36.896 ( -7.546 2.067 1.087) 7.899 37.467 ( 18.330 -4.745 15.134) 24.239 39.147 ( -7.900 22.557 -10.782) 26.220 ======================= Grid point 637 (203/231) ======================= q-point: (-0.31 -0.31 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.186 ( 0.000 13.422 34.400) 36.925 4.343 ( 0.000 15.308 11.126) 18.924 4.691 ( -0.000 -18.636 -6.222) 19.648 5.365 ( 0.000 -17.351 6.845) 18.653 6.212 ( -0.000 1.150 -17.001) 17.040 6.331 ( 0.000 0.238 13.307) 13.309 7.402 ( 0.000 -7.755 10.949) 13.418 7.494 ( -0.000 -18.929 -2.086) 19.043 8.054 ( -0.000 23.194 -3.296) 23.427 8.260 ( 0.000 11.974 3.054) 12.357 9.069 ( -0.000 10.117 -11.634) 15.417 10.280 ( -0.000 -13.477 -19.375) 23.602 10.512 ( 0.000 -7.557 5.503) 9.348 10.736 ( 0.000 -6.401 2.152) 6.753 11.101 ( -0.000 8.063 -2.693) 8.501 11.792 ( -0.000 -10.386 -7.374) 12.738 11.984 ( 0.000 2.424 4.652) 5.246 12.405 ( 0.000 -4.031 2.221) 4.603 17.267 ( 0.000 1.719 2.426) 2.973 17.738 ( -0.000 0.828 -3.700) 3.792 18.462 ( 0.000 -0.114 7.301) 7.302 19.167 ( -0.000 7.585 -3.272) 8.261 20.553 ( -0.000 -7.421 0.403) 7.432 20.599 ( -0.000 -6.097 -1.667) 6.321 27.495 ( -0.000 3.794 -1.398) 4.044 27.514 ( -0.000 -0.219 -0.158) 0.270 36.511 ( 0.000 3.098 -0.180) 3.103 36.972 ( -0.000 -0.588 -4.049) 4.091 37.342 ( 0.000 -6.815 20.808) 21.895 39.366 ( -0.000 21.279 -9.366) 23.249 ======================= Grid point 736 (204/231) ======================= q-point: ( 0.31 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.789 ( 0.000 -0.000 42.610) 42.610 2.789 ( 0.000 -0.000 42.610) 42.610 4.482 ( 0.000 -0.000 68.343) 68.343 5.233 ( -0.000 0.000 -14.180) 14.180 5.233 ( -0.000 0.000 -14.180) 14.180 6.943 ( 0.000 -0.000 7.770) 7.770 6.943 ( 0.000 -0.000 7.770) 7.770 8.026 ( -0.000 0.000 -8.463) 8.463 8.026 ( -0.000 0.000 -8.463) 8.463 8.336 ( -0.000 0.000 -26.919) 26.919 8.338 ( 0.000 -0.000 18.767) 18.767 10.079 ( -0.000 0.000 -26.678) 26.678 10.317 ( 0.000 -0.000 11.784) 11.784 10.317 ( 0.000 -0.000 11.784) 11.784 11.281 ( -0.000 0.000 -9.461) 9.461 11.281 ( -0.000 0.000 -9.461) 9.461 14.191 ( -0.000 0.000 -0.158) 0.158 14.246 ( -0.000 0.000 -2.376) 2.376 18.182 ( 0.000 -0.000 1.348) 1.348 18.182 ( 0.000 -0.000 1.348) 1.348 18.283 ( -0.000 0.000 -0.990) 0.990 18.283 ( -0.000 0.000 -0.990) 0.990 21.744 ( 0.000 -0.000 15.132) 15.132 22.889 ( -0.000 0.000 -11.541) 11.541 27.365 ( 0.000 -0.000 0.392) 0.392 27.388 ( -0.000 0.000 -0.098) 0.098 36.021 ( 0.000 -0.000 4.502) 4.502 36.021 ( 0.000 -0.000 4.502) 4.502 36.413 ( -0.000 0.000 -4.531) 4.531 36.413 ( -0.000 0.000 -4.531) 4.531 ======================= Grid point 737 (205/231) ======================= q-point: ( 0.38 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.833 ( -1.687 -0.974 37.377) 37.428 3.297 ( 9.729 5.617 42.153) 43.624 4.871 ( -9.288 -5.362 -18.341) 21.246 5.041 ( 21.460 12.390 59.329) 64.295 5.519 ( 17.946 10.361 -15.272) 25.742 6.918 ( -4.990 -2.881 5.749) 8.139 7.008 ( -0.813 -0.470 13.029) 13.063 7.795 ( -7.836 -4.524 -6.005) 10.859 8.025 ( -3.630 -2.096 -17.930) 18.414 8.182 ( -0.925 -0.534 -25.016) 25.039 8.467 ( 4.412 2.547 18.911) 19.585 10.018 ( 7.053 4.072 -23.148) 24.539 10.337 ( 1.776 1.025 10.485) 10.684 10.563 ( 9.759 5.634 12.280) 16.667 11.237 ( 0.466 0.269 -10.219) 10.233 11.249 ( 1.711 0.988 -7.518) 7.773 14.037 ( -13.494 -7.791 -0.156) 15.583 14.100 ( -14.386 -8.306 -3.165) 16.911 18.086 ( -6.232 -3.598 0.515) 7.214 18.228 ( -1.283 -0.741 -1.325) 1.987 18.251 ( 2.582 1.491 2.017) 3.600 18.327 ( 1.675 0.967 -1.518) 2.459 21.744 ( -7.059 -4.076 13.986) 16.188 22.503 ( -26.775 -15.458 -3.574) 31.123 27.359 ( -0.809 -0.467 0.323) 0.988 27.382 ( -0.075 -0.043 -0.205) 0.222 36.211 ( 9.293 5.365 5.086) 11.875 36.309 ( 0.929 0.536 -6.043) 6.137 36.388 ( 28.937 16.707 -8.884) 34.574 36.582 ( 13.357 7.712 -1.375) 15.485 ======================= Grid point 738 (206/231) ======================= q-point: ( 0.46 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.068 ( 7.238 4.179 27.724) 28.956 3.598 ( 0.550 0.317 38.173) 38.178 4.714 ( 4.008 2.314 -16.692) 17.322 5.818 ( 16.638 9.606 -16.724) 25.472 5.870 ( 25.968 14.993 43.927) 53.186 6.849 ( -0.946 -0.546 3.169) 3.352 6.937 ( -13.600 -7.852 11.742) 19.608 7.662 ( -1.887 -1.090 -1.555) 2.677 7.793 ( -4.344 -2.508 -26.439) 26.911 8.047 ( -1.070 -0.618 -19.051) 19.091 8.708 ( 8.281 4.781 16.416) 18.998 10.129 ( 11.581 6.686 -17.278) 21.849 10.433 ( 2.383 1.376 6.934) 7.460 10.812 ( 6.656 3.843 10.486) 13.001 11.193 ( -0.561 -0.324 -8.198) 8.224 11.316 ( 7.346 4.241 -1.982) 8.711 13.579 ( -31.396 -18.126 -2.062) 36.311 13.660 ( -20.401 -11.779 1.589) 23.611 17.912 ( -9.670 -5.583 -1.441) 11.258 18.231 ( -4.397 -2.539 -1.033) 5.181 18.258 ( 4.945 2.855 -0.500) 5.731 18.396 ( 4.611 2.662 -0.343) 5.336 21.583 ( -13.160 -7.598 9.838) 18.102 21.894 ( -27.557 -15.910 4.557) 32.144 27.338 ( -1.068 -0.617 0.303) 1.270 27.392 ( 1.277 0.737 -0.719) 1.641 36.272 ( 0.766 0.443 -5.587) 5.657 36.445 ( 9.698 5.599 4.872) 12.212 36.981 ( 22.531 13.008 4.848) 26.464 37.028 ( 32.243 18.615 -24.048) 44.322 ======================= Grid point 739 (207/231) ======================= q-point: ( 0.54 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.385 ( 11.426 6.597 15.905) 20.665 3.757 ( -0.005 -0.003 26.169) 26.169 4.887 ( 17.737 10.240 -11.754) 23.614 6.027 ( 9.360 5.404 -14.240) 17.877 6.323 ( -1.036 -0.598 20.770) 20.804 6.560 ( -23.063 -13.315 7.132) 27.569 7.064 ( 18.273 10.550 3.466) 21.383 7.602 ( -1.874 -1.082 -26.173) 26.262 7.759 ( 11.392 6.577 6.929) 14.868 7.958 ( 0.141 0.081 -13.154) 13.155 8.897 ( 0.550 0.317 9.141) 9.163 10.297 ( 9.732 5.619 -10.367) 15.289 10.517 ( 2.993 1.728 6.988) 7.796 10.939 ( 1.855 1.071 6.123) 6.486 11.110 ( -4.485 -2.590 -5.284) 7.399 11.500 ( 7.610 4.394 0.757) 8.820 12.843 ( -33.125 -19.125 -0.253) 38.251 13.246 ( -18.505 -10.684 7.041) 22.498 17.675 ( -10.794 -6.232 -2.426) 12.697 18.085 ( -7.755 -4.477 -2.879) 9.406 18.425 ( 10.111 5.837 0.220) 11.677 18.482 ( 3.298 1.904 -1.215) 3.997 21.302 ( -15.590 -9.001 4.786) 18.627 21.400 ( -21.040 -12.147 6.277) 25.093 27.326 ( -0.007 -0.004 0.688) 0.688 27.426 ( 2.188 1.263 -1.078) 2.747 36.289 ( 3.192 1.843 -4.613) 5.905 36.664 ( 8.140 4.700 4.821) 10.563 37.457 ( 19.794 11.428 -28.840) 36.799 37.566 ( 27.212 15.711 10.702) 33.194 ======================= Grid point 740 (208/231) ======================= q-point: ( 0.62 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.714 ( 14.148 8.168 5.533) 17.248 3.891 ( 4.821 2.783 8.092) 9.822 5.204 ( 10.432 6.023 -12.059) 17.045 6.052 ( -0.531 -0.306 -17.386) 17.396 6.190 ( -9.940 -5.739 11.072) 15.948 6.249 ( -10.710 -6.184 17.828) 21.697 7.442 ( 16.579 9.572 -5.669) 19.966 7.449 ( 0.478 0.276 -24.382) 24.388 7.893 ( -1.642 -0.948 -8.356) 8.569 8.192 ( 20.207 11.667 11.475) 26.002 8.745 ( -17.168 -9.912 5.365) 20.537 10.414 ( 2.829 1.633 0.273) 3.278 10.670 ( 7.448 4.300 9.357) 12.709 10.939 ( -8.922 -5.151 -3.549) 10.896 10.967 ( -1.511 -0.873 1.799) 2.507 11.599 ( 3.514 2.029 -3.822) 5.575 12.271 ( -18.379 -10.611 -0.869) 21.240 12.960 ( -13.764 -7.947 12.893) 20.465 17.449 ( -8.526 -4.922 -2.456) 10.147 17.897 ( -7.652 -4.418 -2.500) 9.182 18.518 ( 1.090 0.630 -3.245) 3.481 18.675 ( 12.312 7.108 1.345) 14.280 20.993 ( -13.925 -8.040 1.068) 16.115 21.038 ( -15.626 -9.022 5.096) 18.749 27.351 ( 1.816 1.049 1.361) 2.500 27.470 ( 2.150 1.241 -0.961) 2.662 36.355 ( 4.451 2.570 -3.124) 6.015 36.834 ( 5.282 3.049 4.571) 7.622 37.603 ( 7.688 4.439 -27.990) 29.364 38.223 ( 27.186 15.696 14.025) 34.382 ======================= Grid point 741 (209/231) ======================= q-point: ( 0.69 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.047 ( 15.797 9.121 -2.536) 18.417 4.050 ( 10.945 6.319 -13.544) 18.525 5.057 ( -15.186 -8.767 -5.178) 18.283 5.782 ( -14.993 -8.656 -16.565) 23.960 6.168 ( -5.261 -3.038 19.248) 20.184 6.285 ( 8.098 4.675 -0.151) 9.352 7.434 ( 7.876 4.547 -16.672) 18.991 7.697 ( 6.871 3.967 -10.003) 12.768 7.821 ( -0.310 -0.179 -1.872) 1.906 8.250 ( -14.419 -8.325 1.511) 16.718 8.739 ( 13.962 8.061 17.343) 23.679 10.403 ( -6.401 -3.695 11.092) 13.329 10.713 ( -9.191 -5.307 -4.746) 11.626 10.880 ( -5.880 -3.395 -2.269) 7.158 10.902 ( 8.881 5.127 7.104) 12.475 11.702 ( 8.170 4.717 -2.622) 9.792 12.026 ( -4.878 -2.816 -2.760) 6.272 12.698 ( -17.280 -9.977 9.630) 22.156 17.302 ( -3.778 -2.181 -2.174) 4.874 17.761 ( -3.948 -2.280 0.403) 4.577 18.502 ( -0.304 -0.176 -5.515) 5.526 18.948 ( 11.568 6.679 2.620) 13.612 20.733 ( -10.106 -5.835 -0.547) 11.682 20.770 ( -11.216 -6.475 3.221) 13.345 27.415 ( 3.197 1.846 1.756) 4.088 27.503 ( 1.212 0.700 -0.474) 1.477 36.439 ( 4.178 2.412 -1.472) 5.044 36.935 ( 2.117 1.222 4.226) 4.882 37.535 ( -0.837 -0.483 -24.833) 24.852 38.848 ( 23.834 13.761 13.648) 30.719 ======================= Grid point 750 (210/231) ======================= q-point: ( 0.38 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.078 ( 0.000 4.233 35.706) 35.956 3.595 ( 0.000 24.163 40.254) 46.950 4.757 ( -0.000 -12.243 -21.456) 24.703 5.272 ( 0.000 10.135 58.989) 59.853 5.372 ( -0.000 13.475 -19.649) 23.825 7.021 ( 0.000 -5.231 15.095) 15.976 7.040 ( 0.000 0.605 8.015) 8.038 7.643 ( -0.000 -15.905 -11.500) 19.627 8.015 ( -0.000 -1.984 -30.979) 31.043 8.108 ( -0.000 8.621 -14.017) 16.456 8.539 ( 0.000 1.809 23.820) 23.888 9.840 ( -0.000 0.943 -23.907) 23.925 10.375 ( 0.000 -0.000 14.792) 14.792 10.653 ( 0.000 12.880 10.678) 16.731 11.165 ( -0.000 -0.557 -12.370) 12.383 11.224 ( -0.000 4.011 -7.274) 8.307 14.019 ( -0.000 -18.035 -0.454) 18.041 14.169 ( -0.000 -3.916 -5.075) 6.410 18.113 ( -0.000 -8.207 0.195) 8.209 18.172 ( 0.000 -4.680 2.610) 5.359 18.233 ( -0.000 2.202 -1.596) 2.720 18.362 ( -0.000 4.629 -0.927) 4.721 21.820 ( 0.000 -8.406 14.255) 16.549 22.475 ( -0.000 -28.131 -5.849) 28.733 27.365 ( 0.000 -0.253 0.344) 0.427 27.378 ( -0.000 -0.598 -0.263) 0.654 36.002 ( 0.000 -0.557 3.878) 3.917 36.353 ( -0.000 3.805 -3.590) 5.231 36.492 ( -0.000 7.835 -3.455) 8.563 36.582 ( 0.000 44.111 -5.176) 44.413 ======================= Grid point 751 (211/231) ======================= q-point: ( 0.46 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.310 ( -1.678 15.207 29.185) 32.952 3.933 ( -8.828 15.976 38.401) 42.518 4.556 ( 1.968 -4.100 -21.257) 21.738 5.488 ( 15.426 3.541 -23.686) 28.488 5.840 ( 20.980 11.423 48.723) 54.264 6.923 ( -7.436 -6.067 9.659) 13.616 7.080 ( -3.508 -8.422 10.811) 14.146 7.519 ( 3.874 -4.322 -6.740) 8.895 7.803 ( -5.005 0.605 -31.176) 31.581 8.022 ( -5.781 3.358 -17.242) 18.493 8.752 ( 3.857 8.527 24.966) 26.662 9.847 ( 13.307 0.647 -20.741) 24.651 10.464 ( 0.108 1.775 13.077) 13.197 10.858 ( 4.382 9.630 9.511) 14.227 11.115 ( 2.354 -1.130 -10.505) 10.825 11.259 ( 2.694 6.093 -4.661) 8.131 13.735 ( -9.173 -24.212 0.482) 25.896 13.903 ( -22.546 -8.129 -6.388) 24.803 18.016 ( -6.944 -4.566 0.825) 8.351 18.087 ( 2.925 -10.325 -1.566) 10.845 18.302 ( 1.501 3.029 1.525) 3.709 18.391 ( 0.519 4.742 -1.800) 5.099 21.722 ( -8.057 -12.098 11.048) 18.257 22.050 ( -14.645 -27.431 -0.290) 31.097 27.356 ( -1.062 0.067 0.331) 1.114 27.377 ( 0.726 0.096 -0.643) 0.974 36.175 ( 16.590 -1.696 2.055) 16.802 36.309 ( -5.254 6.015 -3.921) 8.897 36.758 ( 19.060 11.350 1.926) 22.267 37.017 ( 5.999 44.747 -13.388) 47.091 ======================= Grid point 752 (212/231) ======================= q-point: ( 0.54 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.593 ( -2.584 24.330 19.756) 31.447 4.028 ( -12.107 6.449 31.550) 34.403 4.599 ( 15.437 3.354 -14.313) 21.317 5.635 ( 20.376 -8.259 -26.600) 34.510 6.418 ( 6.705 -0.498 32.982) 33.660 6.837 ( -9.973 -9.205 10.378) 17.085 6.930 ( 1.240 2.783 4.834) 5.713 7.557 ( 4.235 -8.299 -12.324) 15.449 7.609 ( -2.027 13.629 -16.985) 21.871 7.908 ( 1.648 0.849 -15.113) 15.226 9.010 ( -0.395 11.504 20.607) 23.604 10.017 ( 17.723 -0.146 -16.780) 24.407 10.544 ( 0.734 2.215 10.997) 11.242 10.982 ( 0.685 3.674 -3.477) 5.105 11.114 ( -0.970 0.685 2.108) 2.420 11.392 ( 8.945 3.508 -1.749) 9.766 13.267 ( -34.016 -14.428 -2.353) 37.024 13.360 ( -12.745 -21.556 3.178) 25.243 17.808 ( -12.114 -4.192 -0.385) 12.825 18.054 ( 2.945 -10.193 -3.933) 11.315 18.349 ( 2.284 3.925 2.907) 5.392 18.467 ( 3.177 4.748 -2.181) 6.115 21.465 ( -13.406 -13.330 5.893) 19.802 21.574 ( -15.947 -20.980 3.230) 26.550 27.344 ( -1.004 0.921 0.636) 1.504 27.399 ( 1.844 0.931 -1.074) 2.329 36.290 ( -1.769 6.628 -3.712) 7.800 36.446 ( 17.487 -3.137 0.994) 17.794 37.276 ( 24.087 15.612 5.923) 29.309 37.414 ( 7.559 33.749 -16.702) 38.407 ======================= Grid point 753 (213/231) ======================= q-point: ( 0.62 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.859 ( -4.354 28.513 9.507) 30.370 4.024 ( -8.713 3.478 18.751) 20.967 4.913 ( 21.347 3.473 -9.504) 23.624 5.728 ( 19.978 -11.183 -24.324) 33.405 6.386 ( -12.543 -8.522 17.138) 22.884 6.543 ( -18.299 -3.436 12.909) 22.656 7.097 ( 7.323 -4.992 -11.384) 14.426 7.484 ( 5.583 1.534 -14.842) 15.931 7.735 ( 4.436 3.850 -5.442) 8.007 8.026 ( 16.959 5.672 0.866) 17.903 9.080 ( -15.702 10.785 13.610) 23.412 10.214 ( 16.038 -3.287 -9.487) 18.922 10.664 ( 4.172 3.681 10.490) 11.874 10.939 ( -1.955 -4.483 -7.758) 9.171 11.091 ( -6.750 4.642 4.105) 9.163 11.509 ( 5.480 -1.343 -4.354) 7.127 12.583 ( -31.291 -9.195 -0.895) 32.626 13.065 ( -5.985 -19.321 11.970) 23.503 17.575 ( -11.970 -2.436 -0.538) 12.227 17.930 ( -3.892 -7.527 -4.198) 9.457 18.478 ( 4.366 1.866 0.581) 4.783 18.564 ( 7.501 5.264 -0.751) 9.194 21.136 ( -14.053 -11.736 1.429) 18.365 21.187 ( -13.482 -15.094 3.687) 20.571 27.356 ( 0.290 2.050 1.289) 2.439 27.439 ( 2.408 1.271 -1.118) 2.944 36.333 ( 1.182 6.696 -2.650) 7.298 36.673 ( 13.899 -3.789 0.562) 14.417 37.582 ( -1.828 25.309 -20.082) 32.360 37.958 ( 29.616 12.570 12.376) 34.472 ======================= Grid point 754 (214/231) ======================= q-point: ( 0.69 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.956 ( -6.100 4.833 3.934) 8.720 4.155 ( 1.180 27.467 -2.144) 27.576 5.039 ( 2.154 -9.577 -7.309) 12.239 5.818 ( 0.942 1.410 -21.199) 21.267 6.209 ( -2.802 -4.775 9.687) 11.157 6.374 ( -8.581 -2.673 16.441) 18.737 7.058 ( 12.883 -11.629 -17.888) 24.923 7.502 ( 9.612 -17.401 -5.018) 20.503 7.818 ( 1.278 17.182 -9.050) 19.462 8.369 ( 9.515 2.314 5.359) 11.163 8.928 ( -17.715 13.469 13.391) 25.972 10.345 ( 8.964 -8.956 1.236) 12.731 10.765 ( -4.783 -6.511 -2.194) 8.372 10.825 ( 3.209 -0.765 0.513) 3.338 11.029 ( -7.211 7.183 1.351) 10.267 11.562 ( 6.612 0.059 -4.931) 8.249 12.151 ( -14.758 -2.115 -0.629) 14.922 12.856 ( -9.119 -18.142 12.960) 24.089 17.386 ( -9.161 -0.145 -0.825) 9.199 17.797 ( -3.185 -3.890 -0.902) 5.108 18.492 ( -1.170 1.115 -4.523) 4.803 18.803 ( 13.515 4.073 2.617) 14.356 20.836 ( -11.096 -8.456 -0.862) 13.977 20.888 ( -10.895 -10.581 2.764) 15.437 27.404 ( 1.784 2.614 1.671) 3.579 27.484 ( 2.064 1.215 -0.623) 2.475 36.416 ( 2.447 6.130 -1.176) 6.704 36.825 ( 9.546 -4.610 -0.054) 10.601 37.592 ( -8.814 18.053 -19.184) 27.778 38.601 ( 28.203 8.749 14.076) 32.712 ======================= Grid point 764 (215/231) ======================= q-point: ( 0.46 0.46 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.584 ( 0.000 13.207 23.096) 26.605 4.396 ( -0.000 1.186 -22.112) 22.144 4.450 ( 0.000 24.827 36.372) 44.038 5.209 ( -0.000 -7.140 -28.519) 29.400 5.977 ( 0.000 7.223 45.958) 46.523 7.001 ( 0.000 -9.675 4.068) 10.495 7.009 ( 0.000 -13.606 15.586) 20.689 7.447 ( -0.000 0.114 -7.483) 7.484 7.712 ( -0.000 9.000 -27.300) 28.746 8.021 ( -0.000 0.983 -16.740) 16.769 9.000 ( 0.000 18.427 28.735) 34.136 9.600 ( -0.000 -3.538 -19.696) 20.011 10.581 ( 0.000 4.119 15.364) 15.907 10.920 ( 0.000 4.678 7.774) 9.073 11.023 ( -0.000 -0.261 -13.406) 13.409 11.294 ( -0.000 7.661 -1.716) 7.851 13.531 ( -0.000 -32.446 -0.953) 32.460 13.987 ( -0.000 -6.793 -11.898) 13.701 17.905 ( -0.000 -12.743 -0.819) 12.770 18.085 ( 0.000 -7.663 3.736) 8.525 18.314 ( -0.000 8.126 -2.406) 8.475 18.422 ( -0.000 2.620 -0.390) 2.649 21.709 ( 0.000 -16.032 9.401) 18.585 21.881 ( -0.000 -30.245 -0.427) 30.248 27.366 ( -0.000 0.108 -0.982) 0.988 27.371 ( 0.000 0.737 0.342) 0.813 36.067 ( 0.000 3.545 2.799) 4.517 36.502 ( 0.000 12.059 3.431) 12.537 36.626 ( -0.000 9.399 -2.495) 9.724 37.341 ( -0.000 45.329 -14.175) 47.494 ======================= Grid point 765 (216/231) ======================= q-point: ( 0.54 0.46 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.855 ( 9.186 11.771 14.364) 20.719 4.342 ( -2.997 13.555 -14.271) 19.909 4.676 ( -17.072 16.822 33.192) 40.940 5.072 ( 14.665 -16.109 -30.094) 37.151 6.408 ( 15.375 2.860 34.753) 38.110 6.851 ( -5.237 -12.227 9.393) 16.284 7.002 ( 1.644 -5.354 8.154) 9.892 7.365 ( 1.301 -8.018 -16.970) 18.814 7.746 ( -2.773 21.507 -11.894) 24.733 7.853 ( -7.748 -0.511 -16.959) 18.652 9.323 ( -2.297 21.883 26.823) 34.694 9.612 ( 16.432 -5.149 -17.151) 24.304 10.652 ( -3.057 2.995 12.846) 13.540 10.942 ( 0.009 1.429 -12.741) 12.820 11.097 ( 9.508 -0.385 8.991) 13.092 11.349 ( -0.597 5.640 -1.045) 5.766 13.183 ( -2.426 -34.004 0.831) 34.101 13.647 ( -23.353 -9.344 -12.807) 28.226 17.834 ( 6.120 -12.992 -1.973) 14.496 17.951 ( -8.735 -5.431 2.554) 10.598 18.401 ( -0.116 5.658 1.315) 5.810 18.448 ( 2.092 4.368 -2.619) 5.506 21.524 ( -7.618 -17.384 5.385) 19.729 21.551 ( -7.152 -25.671 1.346) 26.683 27.370 ( 0.240 0.807 -0.351) 0.912 27.380 ( 0.158 1.563 -0.509) 1.651 36.209 ( 10.500 3.026 1.460) 11.024 36.453 ( -9.958 10.672 0.040) 14.596 37.024 ( 24.586 11.980 7.046) 28.243 37.661 ( -1.156 40.038 -16.707) 43.399 ======================= Grid point 766 (217/231) ======================= q-point: ( 0.62 0.46 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.200 ( 3.435 14.232 14.128) 20.346 4.393 ( -1.515 13.771 -8.363) 16.183 4.697 ( -7.040 13.157 21.114) 25.855 5.087 ( 23.488 -12.932 -27.083) 38.110 6.577 ( -8.134 -7.845 21.005) 23.852 6.718 ( -2.134 -14.143 4.450) 14.980 7.073 ( -5.972 3.759 1.583) 7.232 7.186 ( 3.232 -13.825 -14.387) 20.214 7.791 ( 13.210 2.151 -2.149) 13.556 7.858 ( -3.433 22.300 -10.046) 24.698 9.539 ( -11.879 19.827 19.267) 30.091 9.792 ( 21.327 -7.307 -13.639) 26.349 10.709 ( 0.204 1.496 11.218) 11.319 10.879 ( -0.886 -1.485 -10.830) 10.967 11.246 ( 0.287 1.777 9.712) 9.877 11.369 ( 3.347 -0.653 -6.195) 7.071 12.892 ( -0.303 -28.502 7.990) 29.602 13.033 ( -29.896 -9.553 -9.993) 32.937 17.749 ( -8.924 -4.900 3.361) 10.722 17.814 ( 2.486 -8.824 -5.288) 10.583 18.459 ( 2.731 3.550 4.201) 6.141 18.523 ( 1.924 5.483 -4.182) 7.160 21.219 ( -8.569 -19.346 2.194) 21.273 21.225 ( -11.374 -15.500 1.212) 19.264 27.385 ( -0.204 2.322 1.210) 2.626 27.407 ( 1.990 1.591 -1.658) 3.040 36.427 ( 9.341 2.699 -0.123) 9.724 36.430 ( -1.282 8.168 -0.521) 8.284 37.624 ( 29.001 10.074 13.389) 33.493 37.857 ( -5.454 32.122 -17.693) 37.076 ======================= Grid point 767 (218/231) ======================= q-point: ( 0.69 0.46 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.238 ( -14.972 3.184 10.109) 18.344 4.428 ( -1.158 13.631 -5.812) 14.863 4.921 ( 1.381 15.296 6.401) 16.638 5.419 ( 34.355 5.319 -18.904) 39.571 6.389 ( -15.213 -6.602 9.587) 19.155 6.543 ( -6.133 -10.071 3.874) 12.411 6.819 ( -9.747 -8.110 -7.795) 14.884 7.109 ( 9.968 -23.498 -4.232) 25.873 7.965 ( -2.069 22.073 -10.490) 24.526 8.176 ( 20.271 5.774 9.359) 23.061 9.475 ( -23.353 14.138 10.118) 29.114 9.995 ( 19.882 -11.313 -6.386) 23.750 10.754 ( -1.537 -5.639 4.164) 7.177 10.770 ( -1.385 -3.594 -5.893) 7.040 11.240 ( -7.855 8.172 2.263) 11.559 11.429 ( 7.891 -1.162 -3.504) 8.712 12.447 ( -24.812 -4.491 -2.636) 25.353 12.757 ( 2.911 -24.754 8.939) 26.479 17.571 ( -11.984 0.663 1.322) 12.075 17.747 ( 2.290 -7.937 -2.079) 8.518 18.528 ( -2.627 5.175 -3.567) 6.812 18.640 ( 11.109 1.855 2.960) 11.646 20.915 ( -10.577 -11.414 -1.267) 15.613 20.941 ( -8.088 -13.795 1.944) 16.109 27.421 ( 0.458 3.125 1.221) 3.386 27.453 ( 2.700 1.468 -0.826) 3.182 36.471 ( -1.162 8.845 -0.000) 8.921 36.618 ( 10.842 -0.803 -1.414) 10.963 37.890 ( -11.909 25.547 -15.152) 32.001 38.259 ( 30.086 4.805 14.208) 33.618 ======================= Grid point 778 (219/231) ======================= q-point: ( 0.54 0.54 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.788 ( -0.000 1.659 -5.501) 5.745 4.569 ( 0.000 24.203 3.311) 24.429 4.600 ( -0.000 -21.646 -27.882) 35.298 5.213 ( 0.000 18.516 30.989) 36.099 6.423 ( 0.000 -1.241 23.166) 23.199 6.866 ( 0.000 -13.396 17.313) 21.891 6.903 ( -0.000 -7.422 -1.713) 7.617 7.214 ( -0.000 -0.962 -13.584) 13.618 7.892 ( -0.000 0.831 -10.312) 10.346 7.943 ( -0.000 25.288 -8.875) 26.801 9.296 ( -0.000 -10.438 -15.155) 18.402 9.713 ( 0.000 25.516 25.479) 36.058 10.776 ( 0.000 2.747 7.512) 7.998 10.908 ( -0.000 0.117 -7.705) 7.706 11.002 ( 0.000 -1.568 4.566) 4.828 11.416 ( 0.000 3.269 3.598) 4.862 12.856 ( -0.000 -35.942 -1.879) 35.991 13.666 ( -0.000 -11.357 -18.097) 21.365 17.649 ( -0.000 -13.237 -0.616) 13.251 17.973 ( 0.000 -8.104 3.577) 8.858 18.454 ( 0.000 0.599 0.979) 1.148 18.479 ( -0.000 12.315 -2.907) 12.654 21.372 ( -0.000 -24.464 1.132) 24.491 21.435 ( 0.000 -19.283 3.022) 19.519 27.364 ( -0.000 1.149 -1.770) 2.110 27.403 ( 0.000 2.195 0.541) 2.261 36.182 ( 0.000 5.912 2.079) 6.267 36.776 ( -0.000 8.822 -2.235) 9.101 36.840 ( 0.000 13.797 13.241) 19.123 37.960 ( -0.000 38.068 -16.501) 41.490 ======================= Grid point 779 (220/231) ======================= q-point: ( 0.62 0.54 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.974 ( 22.483 5.899 -5.369) 23.856 4.320 ( 4.738 -16.752 -18.782) 25.610 4.809 ( -0.554 17.015 2.431) 17.196 5.329 ( -18.657 18.159 27.259) 37.694 6.500 ( 6.811 -15.543 1.832) 17.069 6.730 ( -5.468 -10.283 3.305) 12.106 6.894 ( 0.942 -6.325 1.773) 6.636 7.305 ( 3.455 9.281 7.702) 12.546 7.725 ( -8.582 -0.163 -4.977) 9.922 8.098 ( -4.164 23.349 -7.798) 24.967 9.289 ( 19.168 -12.110 -13.272) 26.271 10.000 ( -7.738 21.657 18.124) 29.281 10.787 ( -2.547 0.034 6.507) 6.987 10.849 ( -2.022 0.456 -7.533) 7.813 11.109 ( 10.159 -4.821 2.790) 11.586 11.434 ( -3.095 2.486 4.170) 5.757 12.568 ( 4.580 -30.204 0.599) 30.556 13.291 ( -18.930 -12.691 -16.674) 28.239 17.579 ( 5.597 -12.108 -0.939) 13.372 17.875 ( -5.008 -5.597 2.718) 7.987 18.464 ( 0.540 0.177 2.228) 2.300 18.583 ( -0.542 12.190 -2.871) 12.535 21.138 ( -3.472 -19.934 1.380) 20.282 21.214 ( -5.954 -17.954 0.047) 18.916 27.379 ( 1.366 1.670 -1.685) 2.738 27.426 ( -0.329 2.807 0.596) 2.888 36.303 ( 6.438 5.244 1.248) 8.396 36.664 ( -11.665 9.871 1.687) 15.374 37.327 ( 25.116 8.644 13.545) 29.816 38.176 ( -4.880 33.527 -16.176) 37.544 ======================= Grid point 792 (221/231) ======================= q-point: (-0.38 -0.38 -0.69) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.805 ( -0.000 9.421 -6.114) 11.231 4.042 ( -0.000 -11.608 -12.054) 16.735 5.034 ( 0.000 12.238 10.030) 15.823 5.708 ( 0.000 2.494 25.097) 25.221 6.312 ( -0.000 -9.554 -4.179) 10.428 6.560 ( -0.000 -12.419 -19.645) 23.242 7.070 ( 0.000 5.368 25.386) 25.947 7.345 ( 0.000 13.622 6.660) 15.163 7.838 ( -0.000 -0.687 -1.822) 1.947 8.303 ( -0.000 17.673 -4.903) 18.340 8.904 ( -0.000 -14.674 -13.765) 20.120 10.327 ( 0.000 15.921 10.977) 19.338 10.826 ( -0.000 6.904 -10.569) 12.625 10.855 ( 0.000 -8.302 7.315) 11.065 10.974 ( 0.000 -4.887 2.173) 5.348 11.506 ( 0.000 2.850 6.917) 7.481 12.269 ( -0.000 -22.750 -0.750) 22.762 13.209 ( -0.000 -17.004 -18.810) 25.356 17.426 ( -0.000 -10.105 0.625) 10.124 17.861 ( 0.000 -6.871 2.026) 7.163 18.471 ( 0.000 -0.698 3.014) 3.094 18.706 ( -0.000 14.626 -2.662) 14.866 20.993 ( -0.000 -17.493 1.103) 17.527 21.088 ( -0.000 -17.794 -1.609) 17.867 27.377 ( -0.000 2.428 -2.064) 3.187 27.457 ( 0.000 2.625 0.699) 2.717 36.317 ( 0.000 6.253 1.689) 6.477 36.892 ( -0.000 6.104 -3.014) 6.808 37.230 ( 0.000 8.148 21.186) 22.699 38.445 ( -0.000 31.795 -15.473) 35.360 ======================= Grid point 920 (222/231) ======================= q-point: ( 0.38 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.415 ( 0.000 -0.000 39.792) 39.792 3.415 ( 0.000 -0.000 39.792) 39.792 4.935 ( -0.000 0.000 -24.515) 24.515 4.935 ( -0.000 0.000 -24.515) 24.515 5.482 ( 0.000 -0.000 63.334) 63.334 7.122 ( 0.000 -0.000 14.974) 14.974 7.122 ( 0.000 -0.000 14.974) 14.974 7.846 ( -0.000 0.000 -37.767) 37.767 7.859 ( -0.000 0.000 -13.268) 13.268 7.859 ( -0.000 0.000 -13.268) 13.268 8.638 ( 0.000 -0.000 20.675) 20.675 9.680 ( -0.000 0.000 -25.566) 25.566 10.512 ( 0.000 -0.000 13.676) 13.676 10.512 ( 0.000 -0.000 13.676) 13.676 11.121 ( -0.000 0.000 -11.584) 11.584 11.121 ( -0.000 0.000 -11.584) 11.584 14.187 ( -0.000 0.000 -0.260) 0.260 14.214 ( -0.000 0.000 -1.768) 1.768 18.203 ( 0.000 -0.000 1.459) 1.459 18.203 ( 0.000 -0.000 1.459) 1.459 18.266 ( -0.000 0.000 -1.202) 1.202 18.266 ( -0.000 0.000 -1.202) 1.202 21.984 ( 0.000 -0.000 16.296) 16.296 22.697 ( -0.000 0.000 -13.774) 13.774 27.371 ( 0.000 -0.000 0.396) 0.396 27.386 ( -0.000 0.000 -0.188) 0.188 36.095 ( 0.000 -0.000 5.128) 5.128 36.095 ( 0.000 -0.000 5.128) 5.128 36.339 ( -0.000 0.000 -5.149) 5.149 36.339 ( -0.000 0.000 -5.149) 5.149 ======================= Grid point 921 (223/231) ======================= q-point: ( 0.46 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.387 ( -6.139 -3.544 35.432) 36.134 3.917 ( 9.961 5.751 39.494) 41.135 4.534 ( -7.459 -4.307 -25.656) 27.063 5.185 ( 19.033 10.988 -26.583) 34.491 5.924 ( 13.012 7.512 55.358) 57.360 7.065 ( -8.336 -4.813 12.704) 15.938 7.249 ( -1.125 -0.649 17.534) 17.582 7.582 ( -4.585 -2.647 -37.488) 37.860 7.654 ( -4.343 -2.507 -11.870) 12.886 7.872 ( 0.181 0.104 -17.886) 17.887 8.780 ( 3.629 2.095 21.821) 22.220 9.655 ( 9.700 5.600 -24.441) 26.885 10.523 ( -0.728 -0.420 13.610) 13.636 10.750 ( 9.008 5.201 12.127) 15.977 11.061 ( 1.472 0.850 -12.910) 13.021 11.128 ( 4.992 2.882 -8.461) 10.238 14.040 ( -12.687 -7.325 0.697) 14.666 14.058 ( -14.862 -8.581 -2.388) 17.327 18.097 ( -7.308 -4.219 0.901) 8.487 18.211 ( -0.708 -0.409 -0.857) 1.184 18.276 ( 0.595 0.343 0.638) 0.938 18.304 ( 2.941 1.698 -0.779) 3.484 21.959 ( -9.615 -5.551 14.203) 18.028 22.403 ( -18.954 -10.943 -9.133) 23.716 27.364 ( -0.866 -0.500 0.346) 1.058 27.379 ( -0.233 -0.135 -0.229) 0.354 36.223 ( -0.621 -0.359 -5.247) 5.296 36.288 ( 9.062 5.232 5.047) 11.617 36.300 ( 17.972 10.376 -3.277) 21.009 36.560 ( 17.415 10.055 -1.421) 20.159 ======================= Grid point 922 (224/231) ======================= q-point: ( 0.54 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.484 ( -0.297 -0.172 26.487) 26.489 4.172 ( -3.933 -2.271 37.323) 37.598 4.425 ( 9.248 5.339 -20.422) 23.045 5.461 ( 18.770 10.837 -28.408) 35.732 6.527 ( 15.655 9.039 41.395) 45.170 6.947 ( -5.207 -3.006 8.169) 10.143 7.061 ( -17.935 -10.355 -5.014) 21.307 7.383 ( -2.300 -1.328 -19.979) 20.155 7.589 ( 4.170 2.407 -6.901) 8.415 7.802 ( 2.385 1.377 -11.755) 12.073 8.984 ( 4.055 2.341 19.599) 20.151 9.816 ( 15.526 8.964 -23.584) 29.625 10.580 ( 0.089 0.051 11.763) 11.764 10.946 ( 3.960 2.286 6.548) 7.986 11.042 ( 1.877 1.084 -11.511) 11.713 11.288 ( 11.320 6.536 -1.622) 13.172 13.549 ( -30.149 -17.406 -1.780) 34.858 13.712 ( -17.465 -10.083 5.456) 20.892 17.899 ( -10.829 -6.252 -0.429) 12.512 18.199 ( -5.538 -3.198 -3.040) 7.081 18.261 ( 5.417 3.128 0.839) 6.311 18.400 ( 4.121 2.379 0.675) 4.806 21.724 ( -16.896 -9.755 8.518) 21.289 21.907 ( -22.467 -12.971 -2.363) 26.050 27.344 ( -0.912 -0.527 0.515) 1.173 27.383 ( 0.921 0.532 -0.500) 1.175 36.190 ( 1.241 0.717 -5.119) 5.316 36.516 ( 9.574 5.528 4.483) 11.930 36.745 ( 23.337 13.474 -14.057) 30.394 37.062 ( 27.234 15.723 5.971) 32.009 ======================= Grid point 923 (225/231) ======================= q-point: ( 0.62 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.623 ( 3.778 2.181 14.591) 15.229 4.169 ( -10.577 -6.106 28.143) 30.679 4.699 ( 21.104 12.184 -11.989) 27.158 5.672 ( 13.233 7.640 -28.372) 32.225 6.617 ( -19.049 -10.998 -2.330) 22.119 6.690 ( -10.299 -5.946 23.055) 25.941 7.114 ( 11.817 6.822 2.724) 13.914 7.199 ( -2.775 -1.602 -25.785) 25.983 7.828 ( 1.976 1.141 -2.685) 3.523 7.841 ( 19.425 11.215 5.081) 22.998 9.072 ( -5.344 -3.086 13.730) 15.053 10.061 ( 17.115 9.881 -19.862) 28.019 10.667 ( 2.966 1.712 11.788) 12.275 10.995 ( -1.840 -1.063 -9.433) 9.669 11.012 ( 0.307 0.177 2.792) 2.815 11.477 ( 5.343 3.085 -3.516) 7.101 12.842 ( -32.319 -18.659 0.237) 37.320 13.412 ( -14.248 -8.226 14.549) 21.963 17.651 ( -11.334 -6.544 -0.858) 13.115 18.032 ( -7.751 -4.475 -3.920) 9.771 18.442 ( 10.337 5.968 1.919) 12.089 18.467 ( 1.940 1.120 -0.806) 2.381 21.360 ( -18.509 -10.686 2.521) 21.521 21.452 ( -19.218 -11.095 0.925) 22.210 27.341 ( 0.399 0.230 1.231) 1.314 27.413 ( 2.024 1.169 -0.742) 2.452 36.226 ( 4.052 2.340 -3.650) 5.934 36.730 ( 8.065 4.656 3.779) 10.050 37.089 ( 16.045 9.263 -20.020) 27.277 37.741 ( 30.270 17.476 12.694) 37.186 ======================= Grid point 934 (226/231) ======================= q-point: ( 0.46 0.46 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.607 ( 0.000 -2.229 33.719) 33.793 4.186 ( 0.000 22.858 37.470) 43.892 4.373 ( -0.000 -11.538 -28.176) 30.446 4.990 ( -0.000 13.553 -29.735) 32.678 6.141 ( 0.000 3.188 54.727) 54.820 7.195 ( 0.000 -7.005 7.468) 10.240 7.281 ( 0.000 -5.422 18.510) 19.288 7.387 ( -0.000 -0.992 -25.068) 25.087 7.550 ( -0.000 -6.645 -23.260) 24.191 7.861 ( -0.000 6.530 -17.996) 19.144 8.907 ( 0.000 6.914 24.571) 25.525 9.477 ( -0.000 3.339 -23.779) 24.012 10.608 ( 0.000 0.750 15.558) 15.576 10.815 ( 0.000 9.980 10.356) 14.383 10.965 ( -0.000 -0.998 -13.871) 13.907 11.101 ( -0.000 8.385 -8.927) 12.248 14.018 ( -0.000 -18.213 0.279) 18.215 14.103 ( -0.000 -8.656 -3.592) 9.371 18.115 ( -0.000 -9.357 -0.041) 9.358 18.212 ( -0.000 1.698 -1.017) 1.979 18.213 ( 0.000 -3.495 2.800) 4.479 18.343 ( -0.000 4.923 -1.448) 5.132 22.036 ( 0.000 -11.545 14.004) 18.150 22.348 ( -0.000 -20.359 -10.454) 22.886 27.370 ( 0.000 -0.304 0.330) 0.449 27.374 ( -0.000 -0.862 -0.292) 0.910 36.068 ( 0.000 -1.698 4.753) 5.047 36.305 ( -0.000 7.655 -2.575) 8.077 36.432 ( -0.000 9.167 -4.357) 10.149 36.540 ( 0.000 33.068 -0.907) 33.080 ======================= Grid point 935 (227/231) ======================= q-point: ( 0.54 0.46 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.750 ( -3.907 7.976 28.466) 29.820 4.158 ( 3.750 -3.204 -23.654) 24.163 4.540 ( -6.515 15.655 34.094) 38.078 5.057 ( 16.180 2.099 -32.197) 36.095 6.546 ( 14.026 3.642 43.441) 45.794 7.039 ( -6.596 -7.094 -5.956) 11.371 7.169 ( -9.588 -2.696 -0.346) 9.966 7.338 ( -1.018 -3.504 -21.456) 21.764 7.508 ( 5.817 -0.584 8.571) 10.374 7.745 ( -5.020 2.753 -18.528) 19.393 9.134 ( -0.024 12.287 25.147) 27.988 9.507 ( 13.461 4.127 -23.774) 27.630 10.672 ( -2.411 1.682 13.984) 14.290 10.870 ( 1.725 -0.615 -10.533) 10.691 11.064 ( 7.260 8.301 6.283) 12.692 11.173 ( 3.915 9.205 -6.744) 12.064 13.759 ( -6.227 -24.349 2.719) 25.280 13.817 ( -19.889 -13.323 -4.879) 24.431 18.035 ( -7.913 -4.564 1.566) 9.268 18.061 ( 1.016 -9.751 -1.760) 9.960 18.329 ( 3.277 2.335 2.018) 4.502 18.361 ( 0.002 4.523 -2.091) 4.983 21.879 ( -10.381 -15.894 9.417) 21.191 21.998 ( -11.283 -21.700 -6.004) 25.184 27.362 ( -0.955 0.141 0.409) 1.049 27.369 ( 0.631 -0.443 -0.498) 0.918 36.210 ( 14.415 -2.094 2.559) 14.789 36.254 ( -7.281 8.741 -3.288) 11.841 36.796 ( 24.009 14.981 3.373) 28.500 36.870 ( 2.484 35.748 -6.700) 36.455 ======================= Grid point 936 (228/231) ======================= q-point: ( 0.62 0.46 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.870 ( -9.786 18.183 14.090) 24.998 4.282 ( 19.422 0.218 -5.622) 20.220 4.614 ( -13.542 8.522 26.509) 30.963 5.181 ( 22.754 -8.601 -32.305) 40.439 6.786 ( -12.123 -3.625 -0.984) 12.691 6.933 ( 2.478 -7.742 -1.199) 8.217 6.992 ( -11.141 4.304 12.234) 17.097 7.217 ( 1.477 2.922 -13.107) 13.510 7.623 ( 8.121 2.274 7.348) 11.185 7.734 ( 9.905 -0.233 -5.298) 11.236 9.323 ( -7.757 13.143 20.161) 25.286 9.709 ( 20.156 5.193 -23.232) 31.192 10.727 ( -0.658 2.507 11.915) 12.194 10.852 ( 4.283 -3.131 -10.087) 11.397 11.167 ( -5.848 9.967 0.894) 11.590 11.354 ( 10.229 1.132 -2.274) 10.540 13.216 ( -32.082 -15.645 -3.267) 35.842 13.469 ( -3.731 -24.403 10.127) 26.683 17.812 ( -13.474 -2.857 0.899) 13.802 17.998 ( 1.276 -10.976 -3.458) 11.578 18.392 ( 2.909 5.937 2.592) 7.102 18.438 ( 3.489 1.990 -1.454) 4.272 21.535 ( -16.101 -16.192 3.106) 23.045 21.582 ( -13.635 -18.253 -1.938) 22.866 27.356 ( -0.615 1.153 0.964) 1.624 27.385 ( 1.847 0.398 -0.724) 2.023 36.241 ( -2.421 8.691 -2.728) 9.426 36.454 ( 17.077 -3.987 0.138) 17.537 37.160 ( -0.361 32.475 -11.252) 34.372 37.451 ( 31.727 15.904 11.249) 37.230 ======================= Grid point 948 (229/231) ======================= q-point: ( 0.54 0.54 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.795 ( -0.000 -5.757 -5.986) 8.305 4.176 ( 0.000 16.522 3.791) 16.951 4.721 ( -0.000 -6.748 -34.466) 35.121 4.986 ( 0.000 22.498 33.476) 40.334 6.634 ( 0.000 -3.362 39.905) 40.047 7.008 ( -0.000 0.482 -7.848) 7.863 7.147 ( -0.000 -6.718 -29.506) 30.261 7.232 ( 0.000 -16.222 11.786) 20.052 7.505 ( 0.000 14.182 1.420) 14.253 7.791 ( -0.000 4.675 -10.794) 11.763 9.292 ( -0.000 0.619 -20.606) 20.615 9.428 ( 0.000 19.161 27.229) 33.295 10.743 ( -0.000 0.302 -3.183) 3.197 10.879 ( 0.000 2.872 3.671) 4.661 10.992 ( 0.000 3.318 0.999) 3.465 11.275 ( 0.000 12.930 -0.278) 12.933 13.529 ( -0.000 -33.731 0.655) 33.737 13.825 ( -0.000 -14.003 -9.257) 16.786 17.897 ( -0.000 -13.032 -0.223) 13.034 18.145 ( 0.000 -7.255 3.971) 8.271 18.282 ( -0.000 7.172 -1.840) 7.404 18.412 ( -0.000 3.740 -0.852) 3.835 21.833 ( -0.000 -24.550 -5.513) 25.161 21.835 ( 0.000 -20.587 6.848) 21.696 27.354 ( -0.000 -0.615 -0.731) 0.955 27.377 ( 0.000 0.839 0.392) 0.926 36.119 ( 0.000 2.254 4.098) 4.677 36.579 ( -0.000 10.486 -3.678) 11.112 36.584 ( 0.000 18.567 7.646) 20.080 37.171 ( -0.000 37.790 -8.741) 38.788 ======================= Grid point 1105 (230/231) ======================= q-point: ( 0.46 0.46 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.993 ( 0.000 -0.000 36.191) 36.191 3.993 ( 0.000 -0.000 36.191) 36.191 4.507 ( -0.000 0.000 -31.406) 31.406 4.507 ( -0.000 0.000 -31.406) 31.406 6.395 ( 0.000 -0.000 56.725) 56.725 7.193 ( -0.000 0.000 -48.172) 48.172 7.372 ( 0.000 -0.000 17.341) 17.341 7.372 ( 0.000 -0.000 17.341) 17.341 7.632 ( -0.000 0.000 -16.420) 16.420 7.632 ( -0.000 0.000 -16.420) 16.420 8.962 ( 0.000 -0.000 22.052) 22.052 9.308 ( -0.000 0.000 -23.606) 23.606 10.724 ( 0.000 -0.000 14.064) 14.064 10.724 ( 0.000 -0.000 14.064) 14.064 10.932 ( -0.000 0.000 -13.235) 13.235 10.932 ( -0.000 0.000 -13.235) 13.235 14.186 ( 0.000 -0.000 0.141) 0.141 14.194 ( -0.000 0.000 -0.915) 0.915 18.225 ( 0.000 -0.000 1.462) 1.462 18.225 ( 0.000 -0.000 1.462) 1.462 18.247 ( -0.000 0.000 -1.368) 1.368 18.247 ( -0.000 0.000 -1.368) 1.368 22.232 ( 0.000 -0.000 16.347) 16.347 22.474 ( -0.000 0.000 -15.441) 15.441 27.377 ( 0.000 -0.000 0.356) 0.356 27.382 ( -0.000 0.000 -0.281) 0.281 36.175 ( 0.000 -0.000 5.456) 5.456 36.175 ( 0.000 -0.000 5.456) 5.456 36.259 ( -0.000 0.000 -5.463) 5.463 36.259 ( -0.000 0.000 -5.463) 5.463 ======================= Grid point 1106 (231/231) ======================= q-point: ( 0.54 0.46 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.897 ( -10.370 -5.987 29.841) 32.153 4.111 ( -3.536 -2.041 -27.959) 28.255 4.488 ( 10.632 6.138 35.200) 37.279 4.727 ( 19.489 11.252 -32.834) 39.806 6.715 ( 5.150 2.973 48.226) 48.591 6.919 ( -2.382 -1.375 -47.459) 47.539 7.276 ( -10.728 -6.194 14.133) 18.794 7.456 ( -1.465 -0.846 -13.009) 13.119 7.510 ( -5.328 -3.076 3.576) 7.115 7.632 ( 5.411 3.124 -3.102) 6.975 9.121 ( 3.499 2.020 23.041) 23.393 9.281 ( 8.958 5.172 -24.762) 26.836 10.734 ( -2.245 -1.296 12.656) 12.918 10.854 ( 2.360 1.363 -12.946) 13.230 10.910 ( 4.678 2.701 5.435) 7.663 11.007 ( 10.978 6.338 -4.164) 13.343 14.029 ( -15.432 -8.910 -1.327) 17.869 14.060 ( -10.663 -6.156 2.033) 12.479 18.110 ( -8.126 -4.692 0.626) 9.404 18.204 ( 0.493 0.284 -0.001) 0.569 18.254 ( -1.941 -1.121 -2.487) 3.348 18.319 ( 4.435 2.561 1.697) 5.395 22.168 ( -12.996 -7.503 13.072) 19.902 22.237 ( -13.705 -7.913 -12.369) 20.086 27.369 ( -0.851 -0.491 0.331) 1.036 27.375 ( -0.278 -0.161 -0.285) 0.429 36.144 ( -2.067 -1.193 -5.186) 5.709 36.281 ( 11.752 6.785 0.451) 13.578 36.363 ( 8.602 4.967 4.799) 11.032 36.542 ( 22.275 12.860 -0.830) 25.734 =================== 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 3/65910 10.0 7048.084 7048.084 13152.773 -0.000 -0.000 -0.000 3/65910 20.0 5010.106 5010.106 6039.689 -0.000 -0.000 -0.000 3/65910 30.0 1654.599 1654.599 2025.272 -0.000 -0.000 -0.000 3/65910 40.0 659.006 659.006 731.572 -0.000 -0.000 -0.000 3/65910 50.0 342.070 342.070 359.685 -0.000 -0.000 -0.000 3/65910 60.0 209.233 209.233 214.456 -0.000 -0.000 -0.000 3/65910 70.0 142.694 142.694 144.648 -0.000 -0.000 -0.000 3/65910 80.0 105.135 105.135 106.137 -0.000 -0.000 -0.000 3/65910 90.0 81.967 81.967 82.672 -0.000 -0.000 -0.000 3/65910 100.0 66.645 66.645 67.247 -0.000 -0.000 -0.000 3/65910 110.0 55.932 55.932 56.484 -0.000 -0.000 -0.000 3/65910 120.0 48.096 48.096 48.611 -0.000 -0.000 -0.000 3/65910 130.0 42.151 42.151 42.629 -0.000 -0.000 -0.000 3/65910 140.0 37.505 37.505 37.943 -0.000 -0.000 -0.000 3/65910 150.0 33.783 33.783 34.181 -0.000 -0.000 -0.000 3/65910 160.0 30.740 30.740 31.097 -0.000 -0.000 -0.000 3/65910 170.0 28.208 28.208 28.527 -0.000 -0.000 -0.000 3/65910 180.0 26.071 26.071 26.353 -0.000 -0.000 -0.000 3/65910 190.0 24.243 24.243 24.491 -0.000 -0.000 -0.000 3/65910 200.0 22.662 22.662 22.880 -0.000 -0.000 -0.000 3/65910 210.0 21.283 21.283 21.473 -0.000 -0.000 -0.000 3/65910 220.0 20.068 20.068 20.234 -0.000 -0.000 -0.000 3/65910 230.0 18.990 18.990 19.134 -0.000 -0.000 -0.000 3/65910 240.0 18.028 18.028 18.152 -0.000 -0.000 -0.000 3/65910 250.0 17.163 17.163 17.270 -0.000 -0.000 -0.000 3/65910 260.0 16.382 16.382 16.474 -0.000 -0.000 -0.000 3/65910 270.0 15.673 15.673 15.751 -0.000 -0.000 -0.000 3/65910 280.0 15.026 15.026 15.093 -0.000 -0.000 -0.000 3/65910 290.0 14.433 14.433 14.490 -0.000 -0.000 -0.000 3/65910 300.0 13.889 13.889 13.936 -0.000 -0.000 -0.000 3/65910 310.0 13.386 13.386 13.426 -0.000 -0.000 -0.000 3/65910 320.0 12.921 12.921 12.955 -0.000 -0.000 -0.000 3/65910 330.0 12.490 12.490 12.517 -0.000 -0.000 -0.000 3/65910 340.0 12.088 12.088 12.111 -0.000 -0.000 -0.000 3/65910 350.0 11.713 11.713 11.732 -0.000 -0.000 -0.000 3/65910 360.0 11.362 11.362 11.377 -0.000 -0.000 -0.000 3/65910 370.0 11.034 11.034 11.046 -0.000 -0.000 -0.000 3/65910 380.0 10.725 10.725 10.734 -0.000 -0.000 -0.000 3/65910 390.0 10.434 10.434 10.441 -0.000 -0.000 -0.000 3/65910 400.0 10.159 10.159 10.165 -0.000 -0.000 -0.000 3/65910 410.0 9.900 9.900 9.904 -0.000 -0.000 -0.000 3/65910 420.0 9.655 9.655 9.658 -0.000 -0.000 -0.000 3/65910 430.0 9.422 9.422 9.425 -0.000 -0.000 -0.000 3/65910 440.0 9.201 9.201 9.203 -0.000 -0.000 -0.000 3/65910 450.0 8.992 8.992 8.993 -0.000 -0.000 -0.000 3/65910 460.0 8.792 8.792 8.793 -0.000 -0.000 -0.000 3/65910 470.0 8.601 8.601 8.602 -0.000 -0.000 -0.000 3/65910 480.0 8.419 8.419 8.420 -0.000 -0.000 -0.000 3/65910 490.0 8.246 8.246 8.247 -0.000 -0.000 -0.000 3/65910 500.0 8.079 8.079 8.081 -0.000 -0.000 -0.000 3/65910 510.0 7.920 7.920 7.922 -0.000 -0.000 -0.000 3/65910 520.0 7.768 7.768 7.770 -0.000 -0.000 -0.000 3/65910 530.0 7.621 7.621 7.624 -0.000 -0.000 -0.000 3/65910 540.0 7.481 7.481 7.483 -0.000 -0.000 -0.000 3/65910 550.0 7.346 7.346 7.349 -0.000 -0.000 -0.000 3/65910 560.0 7.216 7.216 7.219 -0.000 -0.000 -0.000 3/65910 570.0 7.090 7.090 7.095 -0.000 -0.000 -0.000 3/65910 580.0 6.970 6.970 6.974 -0.000 -0.000 -0.000 3/65910 590.0 6.853 6.853 6.859 -0.000 -0.000 -0.000 3/65910 600.0 6.741 6.741 6.747 -0.000 -0.000 -0.000 3/65910 610.0 6.633 6.633 6.639 -0.000 -0.000 -0.000 3/65910 620.0 6.528 6.528 6.535 -0.000 -0.000 -0.000 3/65910 630.0 6.427 6.427 6.434 -0.000 -0.000 -0.000 3/65910 640.0 6.329 6.329 6.337 -0.000 -0.000 -0.000 3/65910 650.0 6.234 6.234 6.242 -0.000 -0.000 -0.000 3/65910 660.0 6.142 6.142 6.151 -0.000 -0.000 -0.000 3/65910 670.0 6.053 6.053 6.062 -0.000 -0.000 -0.000 3/65910 680.0 5.966 5.966 5.976 -0.000 -0.000 -0.000 3/65910 690.0 5.883 5.883 5.893 -0.000 -0.000 -0.000 3/65910 700.0 5.801 5.801 5.812 -0.000 -0.000 -0.000 3/65910 710.0 5.722 5.722 5.734 -0.000 -0.000 -0.000 3/65910 720.0 5.645 5.645 5.657 -0.000 -0.000 -0.000 3/65910 730.0 5.571 5.571 5.583 -0.000 -0.000 -0.000 3/65910 740.0 5.498 5.498 5.511 -0.000 -0.000 -0.000 3/65910 750.0 5.427 5.427 5.441 -0.000 -0.000 -0.000 3/65910 760.0 5.359 5.359 5.372 -0.000 -0.000 -0.000 3/65910 770.0 5.292 5.292 5.306 -0.000 -0.000 -0.000 3/65910 780.0 5.227 5.227 5.241 -0.000 -0.000 -0.000 3/65910 790.0 5.163 5.163 5.177 -0.000 -0.000 -0.000 3/65910 800.0 5.101 5.101 5.116 -0.000 -0.000 -0.000 3/65910 810.0 5.041 5.041 5.056 -0.000 -0.000 -0.000 3/65910 820.0 4.982 4.982 4.997 -0.000 -0.000 -0.000 3/65910 830.0 4.924 4.924 4.940 -0.000 -0.000 -0.000 3/65910 840.0 4.868 4.868 4.884 -0.000 -0.000 -0.000 3/65910 850.0 4.813 4.813 4.829 -0.000 -0.000 -0.000 3/65910 860.0 4.760 4.760 4.776 -0.000 -0.000 -0.000 3/65910 870.0 4.707 4.707 4.724 -0.000 -0.000 -0.000 3/65910 880.0 4.656 4.656 4.673 -0.000 -0.000 -0.000 3/65910 890.0 4.606 4.606 4.623 -0.000 -0.000 -0.000 3/65910 900.0 4.557 4.557 4.575 -0.000 -0.000 -0.000 3/65910 910.0 4.509 4.509 4.527 -0.000 -0.000 -0.000 3/65910 920.0 4.463 4.463 4.481 -0.000 -0.000 -0.000 3/65910 930.0 4.417 4.417 4.435 -0.000 -0.000 -0.000 3/65910 940.0 4.372 4.372 4.390 -0.000 -0.000 -0.000 3/65910 950.0 4.328 4.328 4.347 -0.000 -0.000 -0.000 3/65910 960.0 4.285 4.285 4.304 -0.000 -0.000 -0.000 3/65910 970.0 4.243 4.243 4.262 -0.000 -0.000 -0.000 3/65910 980.0 4.202 4.202 4.221 -0.000 -0.000 -0.000 3/65910 990.0 4.161 4.161 4.180 -0.000 -0.000 -0.000 3/65910 1000.0 4.122 4.122 4.141 -0.000 -0.000 -0.000 3/65910 Thermal conductivity related properties were written into "kappa-m131313.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:00:41]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|