----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 20:26:04]------------------------- 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: [3 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) Number of symmetry operations in supercell: 96 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.571511265000000 -4.905167430000000 0.000000000000000 b 1.571511265000000 4.905167430000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.326293320000002 Atomic positions (fractional): *1 O 0.37141495115806 0.62858504884194 0.54640712940518 15.999 2 O 0.62858504884194 0.37141495115806 0.45359287059482 15.999 3 O 0.62858504884194 0.37141495115806 0.04640712940518 15.999 4 O 0.37141495115806 0.62858504884194 0.95359287059482 15.999 *5 O 0.08435176592890 0.91564823407110 0.75000000000000 15.999 6 O 0.91564823407110 0.08435176592890 0.25000000000000 15.999 *7 Ca 0.75071307626258 0.24928692373742 0.75000000000000 40.078 8 Ca 0.24928692373742 0.75071307626258 0.25000000000000 40.078 *9 Pt 0.00000000000000 0.00000000000000 0.00000000000000 195.084 10 Pt 0.00000000000000 0.00000000000000 0.50000000000000 195.084 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.143022530000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.810334859999999 0.000000000000000 c 0.000000000000000 0.000000000000000 7.326293320000002 Atomic positions (fractional): *1 O 0.50000000000000 0.12858504884194 0.54640712940518 15.999 > 1 2 O 0.00000000000000 0.37141495115806 0.45359287059482 15.999 > 2 3 O 0.00000000000000 0.37141495115806 0.04640712940518 15.999 > 3 4 O 0.50000000000000 0.12858504884194 0.95359287059482 15.999 > 4 *5 O 0.50000000000000 0.41564823407110 0.75000000000000 15.999 > 5 6 O 0.00000000000000 0.08435176592890 0.25000000000000 15.999 > 6 7 O 0.00000000000000 0.62858504884194 0.54640712940518 15.999 > 1 8 O 0.50000000000000 0.87141495115806 0.45359287059482 15.999 > 2 9 O 0.50000000000000 0.87141495115806 0.04640712940518 15.999 > 3 10 O 0.00000000000000 0.62858504884194 0.95359287059482 15.999 > 4 11 O 0.00000000000000 0.91564823407110 0.75000000000000 15.999 > 5 12 O 0.50000000000000 0.58435176592890 0.25000000000000 15.999 > 6 *13 Ca 0.00000000000000 0.24928692373742 0.75000000000000 40.078 > 7 14 Ca 0.50000000000000 0.25071307626258 0.25000000000000 40.078 > 8 15 Ca 0.50000000000000 0.74928692373742 0.75000000000000 40.078 > 7 16 Ca 0.00000000000000 0.75071307626258 0.25000000000000 40.078 > 8 *17 Pt 0.00000000000000 0.00000000000000 0.00000000000000 195.084 > 9 18 Pt 0.00000000000000 0.00000000000000 0.50000000000000 195.084 > 10 19 Pt 0.50000000000000 0.50000000000000 0.00000000000000 195.084 > 9 20 Pt 0.50000000000000 0.50000000000000 0.50000000000000 195.084 > 10 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.429067590000001 0.000000000000000 0.000000000000000 b 0.000000000000000 9.810334859999999 0.000000000000000 c 0.000000000000000 0.000000000000000 14.652586640000004 Atomic positions (fractional): *1 O 0.16666666666667 0.12858504884194 0.27320356470259 15.999 > 1 2 O 0.50000000000000 0.12858504884194 0.27320356470259 15.999 > 1 3 O 0.83333333333333 0.12858504884194 0.27320356470259 15.999 > 1 4 O 0.16666666666667 0.12858504884194 0.77320356470259 15.999 > 1 5 O 0.50000000000000 0.12858504884194 0.77320356470259 15.999 > 1 6 O 0.83333333333333 0.12858504884194 0.77320356470259 15.999 > 1 7 O 0.00000000000000 0.37141495115806 0.22679643529741 15.999 > 2 8 O 0.33333333333333 0.37141495115806 0.22679643529741 15.999 > 2 9 O 0.66666666666667 0.37141495115806 0.22679643529741 15.999 > 2 10 O 0.00000000000000 0.37141495115806 0.72679643529741 15.999 > 2 11 O 0.33333333333333 0.37141495115806 0.72679643529741 15.999 > 2 12 O 0.66666666666667 0.37141495115806 0.72679643529741 15.999 > 2 13 O 0.00000000000000 0.37141495115806 0.02320356470259 15.999 > 3 14 O 0.33333333333333 0.37141495115806 0.02320356470259 15.999 > 3 15 O 0.66666666666667 0.37141495115806 0.02320356470259 15.999 > 3 16 O 0.00000000000000 0.37141495115806 0.52320356470259 15.999 > 3 17 O 0.33333333333333 0.37141495115806 0.52320356470259 15.999 > 3 18 O 0.66666666666667 0.37141495115806 0.52320356470259 15.999 > 3 19 O 0.16666666666667 0.12858504884194 0.47679643529741 15.999 > 4 20 O 0.50000000000000 0.12858504884194 0.47679643529741 15.999 > 4 21 O 0.83333333333333 0.12858504884194 0.47679643529741 15.999 > 4 22 O 0.16666666666667 0.12858504884194 0.97679643529741 15.999 > 4 23 O 0.50000000000000 0.12858504884194 0.97679643529741 15.999 > 4 24 O 0.83333333333333 0.12858504884194 0.97679643529741 15.999 > 4 *25 O 0.16666666666667 0.41564823407110 0.37500000000000 15.999 > 5 26 O 0.50000000000000 0.41564823407110 0.37500000000000 15.999 > 5 27 O 0.83333333333333 0.41564823407110 0.37500000000000 15.999 > 5 28 O 0.16666666666667 0.41564823407110 0.87500000000000 15.999 > 5 29 O 0.50000000000000 0.41564823407110 0.87500000000000 15.999 > 5 30 O 0.83333333333333 0.41564823407110 0.87500000000000 15.999 > 5 31 O 0.00000000000000 0.08435176592890 0.12500000000000 15.999 > 6 32 O 0.33333333333333 0.08435176592890 0.12500000000000 15.999 > 6 33 O 0.66666666666667 0.08435176592890 0.12500000000000 15.999 > 6 34 O 0.00000000000000 0.08435176592890 0.62500000000000 15.999 > 6 35 O 0.33333333333333 0.08435176592890 0.62500000000000 15.999 > 6 36 O 0.66666666666667 0.08435176592890 0.62500000000000 15.999 > 6 37 O 0.00000000000000 0.62858504884194 0.27320356470259 15.999 > 1 38 O 0.33333333333333 0.62858504884194 0.27320356470259 15.999 > 1 39 O 0.66666666666667 0.62858504884194 0.27320356470259 15.999 > 1 40 O 0.00000000000000 0.62858504884194 0.77320356470259 15.999 > 1 41 O 0.33333333333333 0.62858504884194 0.77320356470259 15.999 > 1 42 O 0.66666666666667 0.62858504884194 0.77320356470259 15.999 > 1 43 O 0.16666666666667 0.87141495115806 0.22679643529741 15.999 > 2 44 O 0.50000000000000 0.87141495115806 0.22679643529741 15.999 > 2 45 O 0.83333333333333 0.87141495115806 0.22679643529741 15.999 > 2 46 O 0.16666666666667 0.87141495115806 0.72679643529741 15.999 > 2 47 O 0.50000000000000 0.87141495115806 0.72679643529741 15.999 > 2 48 O 0.83333333333333 0.87141495115806 0.72679643529741 15.999 > 2 49 O 0.16666666666667 0.87141495115806 0.02320356470259 15.999 > 3 50 O 0.50000000000000 0.87141495115806 0.02320356470259 15.999 > 3 51 O 0.83333333333333 0.87141495115806 0.02320356470259 15.999 > 3 52 O 0.16666666666667 0.87141495115806 0.52320356470259 15.999 > 3 53 O 0.50000000000000 0.87141495115806 0.52320356470259 15.999 > 3 54 O 0.83333333333333 0.87141495115806 0.52320356470259 15.999 > 3 55 O 0.00000000000000 0.62858504884194 0.47679643529741 15.999 > 4 56 O 0.33333333333333 0.62858504884194 0.47679643529741 15.999 > 4 57 O 0.66666666666667 0.62858504884194 0.47679643529741 15.999 > 4 58 O 0.00000000000000 0.62858504884194 0.97679643529741 15.999 > 4 59 O 0.33333333333333 0.62858504884194 0.97679643529741 15.999 > 4 60 O 0.66666666666667 0.62858504884194 0.97679643529741 15.999 > 4 61 O 0.00000000000000 0.91564823407110 0.37500000000000 15.999 > 5 62 O 0.33333333333333 0.91564823407110 0.37500000000000 15.999 > 5 63 O 0.66666666666667 0.91564823407110 0.37500000000000 15.999 > 5 64 O 0.00000000000000 0.91564823407110 0.87500000000000 15.999 > 5 65 O 0.33333333333333 0.91564823407110 0.87500000000000 15.999 > 5 66 O 0.66666666666667 0.91564823407110 0.87500000000000 15.999 > 5 67 O 0.16666666666667 0.58435176592890 0.12500000000000 15.999 > 6 68 O 0.50000000000000 0.58435176592890 0.12500000000000 15.999 > 6 69 O 0.83333333333333 0.58435176592890 0.12500000000000 15.999 > 6 70 O 0.16666666666667 0.58435176592890 0.62500000000000 15.999 > 6 71 O 0.50000000000000 0.58435176592890 0.62500000000000 15.999 > 6 72 O 0.83333333333333 0.58435176592890 0.62500000000000 15.999 > 6 *73 Ca 0.00000000000000 0.24928692373742 0.37500000000000 40.078 > 7 74 Ca 0.33333333333333 0.24928692373742 0.37500000000000 40.078 > 7 75 Ca 0.66666666666667 0.24928692373742 0.37500000000000 40.078 > 7 76 Ca 0.00000000000000 0.24928692373742 0.87500000000000 40.078 > 7 77 Ca 0.33333333333333 0.24928692373742 0.87500000000000 40.078 > 7 78 Ca 0.66666666666667 0.24928692373742 0.87500000000000 40.078 > 7 79 Ca 0.16666666666667 0.25071307626258 0.12500000000000 40.078 > 8 80 Ca 0.50000000000000 0.25071307626258 0.12500000000000 40.078 > 8 81 Ca 0.83333333333333 0.25071307626258 0.12500000000000 40.078 > 8 82 Ca 0.16666666666667 0.25071307626258 0.62500000000000 40.078 > 8 83 Ca 0.50000000000000 0.25071307626258 0.62500000000000 40.078 > 8 84 Ca 0.83333333333333 0.25071307626258 0.62500000000000 40.078 > 8 85 Ca 0.16666666666667 0.74928692373742 0.37500000000000 40.078 > 7 86 Ca 0.50000000000000 0.74928692373742 0.37500000000000 40.078 > 7 87 Ca 0.83333333333333 0.74928692373742 0.37500000000000 40.078 > 7 88 Ca 0.16666666666667 0.74928692373742 0.87500000000000 40.078 > 7 89 Ca 0.50000000000000 0.74928692373742 0.87500000000000 40.078 > 7 90 Ca 0.83333333333333 0.74928692373742 0.87500000000000 40.078 > 7 91 Ca 0.00000000000000 0.75071307626258 0.12500000000000 40.078 > 8 92 Ca 0.33333333333333 0.75071307626258 0.12500000000000 40.078 > 8 93 Ca 0.66666666666667 0.75071307626258 0.12500000000000 40.078 > 8 94 Ca 0.00000000000000 0.75071307626258 0.62500000000000 40.078 > 8 95 Ca 0.33333333333333 0.75071307626258 0.62500000000000 40.078 > 8 96 Ca 0.66666666666667 0.75071307626258 0.62500000000000 40.078 > 8 *97 Pt 0.00000000000000 0.00000000000000 0.00000000000000 195.084 > 9 98 Pt 0.33333333333333 0.00000000000000 0.00000000000000 195.084 > 9 99 Pt 0.66666666666667 0.00000000000000 0.00000000000000 195.084 > 9 100 Pt 0.00000000000000 0.00000000000000 0.50000000000000 195.084 > 9 101 Pt 0.33333333333333 0.00000000000000 0.50000000000000 195.084 > 9 102 Pt 0.66666666666667 0.00000000000000 0.50000000000000 195.084 > 9 103 Pt 0.00000000000000 0.00000000000000 0.25000000000000 195.084 > 10 104 Pt 0.33333333333333 0.00000000000000 0.25000000000000 195.084 > 10 105 Pt 0.66666666666667 0.00000000000000 0.25000000000000 195.084 > 10 106 Pt 0.00000000000000 0.00000000000000 0.75000000000000 195.084 > 10 107 Pt 0.33333333333333 0.00000000000000 0.75000000000000 195.084 > 10 108 Pt 0.66666666666667 0.00000000000000 0.75000000000000 195.084 > 10 109 Pt 0.16666666666667 0.50000000000000 0.00000000000000 195.084 > 9 110 Pt 0.50000000000000 0.50000000000000 0.00000000000000 195.084 > 9 111 Pt 0.83333333333333 0.50000000000000 0.00000000000000 195.084 > 9 112 Pt 0.16666666666667 0.50000000000000 0.50000000000000 195.084 > 9 113 Pt 0.50000000000000 0.50000000000000 0.50000000000000 195.084 > 9 114 Pt 0.83333333333333 0.50000000000000 0.50000000000000 195.084 > 9 115 Pt 0.16666666666667 0.50000000000000 0.25000000000000 195.084 > 10 116 Pt 0.50000000000000 0.50000000000000 0.25000000000000 195.084 > 10 117 Pt 0.83333333333333 0.50000000000000 0.25000000000000 195.084 > 10 118 Pt 0.16666666666667 0.50000000000000 0.75000000000000 195.084 > 10 119 Pt 0.50000000000000 0.50000000000000 0.75000000000000 195.084 > 10 120 Pt 0.83333333333333 0.50000000000000 0.75000000000000 195.084 > 10 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.0902475 0.0000000 0.0000000 0.0000000 5.6708086 0.0000000 0.0000000 0.0000000 7.9493733 -------------------------- Born effective charges -------------------------- 1 O -2.9468717 0.0000000 0.0000000 0.0000000 -1.6282835 -0.3657410 0.0000000 -0.2692311 -0.9910373 2 O -2.9468717 0.0000000 0.0000000 0.0000000 -1.6282835 -0.3657410 0.0000000 -0.2692311 -0.9910373 3 O -2.9468717 0.0000000 0.0000000 0.0000000 -1.6282835 0.3657410 0.0000000 0.2692311 -0.9910373 4 O -2.9468717 0.0000000 0.0000000 0.0000000 -1.6282835 0.3657410 0.0000000 0.2692311 -0.9910373 5 O -0.9948990 0.0000000 0.0000000 0.0000000 -1.0973884 0.0000000 0.0000000 0.0000000 -2.9281584 6 O -0.9948990 0.0000000 0.0000000 0.0000000 -1.0973884 0.0000000 0.0000000 0.0000000 -2.9281584 7 Ca 2.4680907 0.0000000 0.0000000 0.0000000 3.3928917 0.0000000 0.0000000 0.0000000 2.3685323 8 Ca 2.4680907 0.0000000 0.0000000 0.0000000 3.3928917 0.0000000 0.0000000 0.0000000 2.3685323 9 Pt 4.4205516 0.0000000 0.0000000 0.0000000 0.9610638 0.5307534 0.0000000 1.5734808 2.5417007 10 Pt 4.4205516 0.0000000 0.0000000 0.0000000 0.9610638 -0.5307534 0.0000000 -1.5734808 2.5417007 ---------------------------------------------------------------------------- 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: 6798/6798 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 804 Number of blocks in projector: 804 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 188 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 140 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 140 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 140 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 106 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 90 Use standard eigh solver. Tree of FC basis block matrices: - (804, 788), data: False |-- (90, 90), data: True |-- (106, 106), data: True |-- (140, 136), data: True |-- (140, 136), data: True |-- (140, 136), data: True |-- (188, 184), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 160 - Time: 0.796 Solver_block: 160 / 160 - Time: 0.522 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.332 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 360/360 Permutation basis: 6798/6798 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 804 Number of blocks in projector: 804 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 188 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 140 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 140 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 140 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 106 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 90 Use standard eigh solver. Tree of FC basis block matrices: - (804, 788), data: False |-- (90, 90), data: True |-- (106, 106), data: True |-- (140, 136), data: True |-- (140, 136), data: True |-- (140, 136), data: True |-- (188, 184), 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 20:26:13]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:26:13]------------------------- 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): [3 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.571511265000000 -4.905167430000000 0.000000000000000 b 1.571511265000000 4.905167430000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.326293320000002 Atomic positions (fractional): 1 O 0.37141495115806 0.62858504884194 0.54640712940518 15.999 2 O 0.62858504884194 0.37141495115806 0.45359287059482 15.999 3 O 0.62858504884194 0.37141495115806 0.04640712940518 15.999 4 O 0.37141495115806 0.62858504884194 0.95359287059482 15.999 5 O 0.08435176592890 0.91564823407110 0.75000000000000 15.999 6 O 0.91564823407110 0.08435176592890 0.25000000000000 15.999 7 Ca 0.75071307626258 0.24928692373742 0.75000000000000 40.078 8 Ca 0.24928692373742 0.75071307626258 0.25000000000000 40.078 9 Pt 0.00000000000000 0.00000000000000 0.00000000000000 195.084 10 Pt 0.00000000000000 0.00000000000000 0.50000000000000 195.084 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.429067590000001 0.000000000000000 0.000000000000000 b 0.000000000000000 9.810334859999999 0.000000000000000 c 0.000000000000000 0.000000000000000 14.652586640000004 Atomic positions (fractional): 1 O 0.16666666666667 0.12858504884194 0.27320356470259 15.999 > 1 2 O 0.50000000000000 0.12858504884194 0.27320356470259 15.999 > 1 3 O 0.83333333333333 0.12858504884194 0.27320356470259 15.999 > 1 4 O 0.16666666666667 0.12858504884194 0.77320356470259 15.999 > 1 5 O 0.50000000000000 0.12858504884194 0.77320356470259 15.999 > 1 6 O 0.83333333333333 0.12858504884194 0.77320356470259 15.999 > 1 7 O 0.00000000000000 0.37141495115806 0.22679643529741 15.999 > 7 8 O 0.33333333333333 0.37141495115806 0.22679643529741 15.999 > 7 9 O 0.66666666666667 0.37141495115806 0.22679643529741 15.999 > 7 10 O 0.00000000000000 0.37141495115806 0.72679643529741 15.999 > 7 11 O 0.33333333333333 0.37141495115806 0.72679643529741 15.999 > 7 12 O 0.66666666666667 0.37141495115806 0.72679643529741 15.999 > 7 13 O 0.00000000000000 0.37141495115806 0.02320356470259 15.999 > 13 14 O 0.33333333333333 0.37141495115806 0.02320356470259 15.999 > 13 15 O 0.66666666666667 0.37141495115806 0.02320356470259 15.999 > 13 16 O 0.00000000000000 0.37141495115806 0.52320356470259 15.999 > 13 17 O 0.33333333333333 0.37141495115806 0.52320356470259 15.999 > 13 18 O 0.66666666666667 0.37141495115806 0.52320356470259 15.999 > 13 19 O 0.16666666666667 0.12858504884194 0.47679643529741 15.999 > 19 20 O 0.50000000000000 0.12858504884194 0.47679643529741 15.999 > 19 21 O 0.83333333333333 0.12858504884194 0.47679643529741 15.999 > 19 22 O 0.16666666666667 0.12858504884194 0.97679643529741 15.999 > 19 23 O 0.50000000000000 0.12858504884194 0.97679643529741 15.999 > 19 24 O 0.83333333333333 0.12858504884194 0.97679643529741 15.999 > 19 25 O 0.16666666666667 0.41564823407110 0.37500000000000 15.999 > 25 26 O 0.50000000000000 0.41564823407110 0.37500000000000 15.999 > 25 27 O 0.83333333333333 0.41564823407110 0.37500000000000 15.999 > 25 28 O 0.16666666666667 0.41564823407110 0.87500000000000 15.999 > 25 29 O 0.50000000000000 0.41564823407110 0.87500000000000 15.999 > 25 30 O 0.83333333333333 0.41564823407110 0.87500000000000 15.999 > 25 31 O 0.00000000000000 0.08435176592890 0.12500000000000 15.999 > 31 32 O 0.33333333333333 0.08435176592890 0.12500000000000 15.999 > 31 33 O 0.66666666666667 0.08435176592890 0.12500000000000 15.999 > 31 34 O 0.00000000000000 0.08435176592890 0.62500000000000 15.999 > 31 35 O 0.33333333333333 0.08435176592890 0.62500000000000 15.999 > 31 36 O 0.66666666666667 0.08435176592890 0.62500000000000 15.999 > 31 37 O 0.00000000000000 0.62858504884194 0.27320356470259 15.999 > 1 38 O 0.33333333333333 0.62858504884194 0.27320356470259 15.999 > 1 39 O 0.66666666666667 0.62858504884194 0.27320356470259 15.999 > 1 40 O 0.00000000000000 0.62858504884194 0.77320356470259 15.999 > 1 41 O 0.33333333333333 0.62858504884194 0.77320356470259 15.999 > 1 42 O 0.66666666666667 0.62858504884194 0.77320356470259 15.999 > 1 43 O 0.16666666666667 0.87141495115806 0.22679643529741 15.999 > 7 44 O 0.50000000000000 0.87141495115806 0.22679643529741 15.999 > 7 45 O 0.83333333333333 0.87141495115806 0.22679643529741 15.999 > 7 46 O 0.16666666666667 0.87141495115806 0.72679643529741 15.999 > 7 47 O 0.50000000000000 0.87141495115806 0.72679643529741 15.999 > 7 48 O 0.83333333333333 0.87141495115806 0.72679643529741 15.999 > 7 49 O 0.16666666666667 0.87141495115806 0.02320356470259 15.999 > 13 50 O 0.50000000000000 0.87141495115806 0.02320356470259 15.999 > 13 51 O 0.83333333333333 0.87141495115806 0.02320356470259 15.999 > 13 52 O 0.16666666666667 0.87141495115806 0.52320356470259 15.999 > 13 53 O 0.50000000000000 0.87141495115806 0.52320356470259 15.999 > 13 54 O 0.83333333333333 0.87141495115806 0.52320356470259 15.999 > 13 55 O 0.00000000000000 0.62858504884194 0.47679643529741 15.999 > 19 56 O 0.33333333333333 0.62858504884194 0.47679643529741 15.999 > 19 57 O 0.66666666666667 0.62858504884194 0.47679643529741 15.999 > 19 58 O 0.00000000000000 0.62858504884194 0.97679643529741 15.999 > 19 59 O 0.33333333333333 0.62858504884194 0.97679643529741 15.999 > 19 60 O 0.66666666666667 0.62858504884194 0.97679643529741 15.999 > 19 61 O 0.00000000000000 0.91564823407110 0.37500000000000 15.999 > 25 62 O 0.33333333333333 0.91564823407110 0.37500000000000 15.999 > 25 63 O 0.66666666666667 0.91564823407110 0.37500000000000 15.999 > 25 64 O 0.00000000000000 0.91564823407110 0.87500000000000 15.999 > 25 65 O 0.33333333333333 0.91564823407110 0.87500000000000 15.999 > 25 66 O 0.66666666666667 0.91564823407110 0.87500000000000 15.999 > 25 67 O 0.16666666666667 0.58435176592890 0.12500000000000 15.999 > 31 68 O 0.50000000000000 0.58435176592890 0.12500000000000 15.999 > 31 69 O 0.83333333333333 0.58435176592890 0.12500000000000 15.999 > 31 70 O 0.16666666666667 0.58435176592890 0.62500000000000 15.999 > 31 71 O 0.50000000000000 0.58435176592890 0.62500000000000 15.999 > 31 72 O 0.83333333333333 0.58435176592890 0.62500000000000 15.999 > 31 73 Ca 0.00000000000000 0.24928692373742 0.37500000000000 40.078 > 73 74 Ca 0.33333333333333 0.24928692373742 0.37500000000000 40.078 > 73 75 Ca 0.66666666666667 0.24928692373742 0.37500000000000 40.078 > 73 76 Ca 0.00000000000000 0.24928692373742 0.87500000000000 40.078 > 73 77 Ca 0.33333333333333 0.24928692373742 0.87500000000000 40.078 > 73 78 Ca 0.66666666666667 0.24928692373742 0.87500000000000 40.078 > 73 79 Ca 0.16666666666667 0.25071307626258 0.12500000000000 40.078 > 79 80 Ca 0.50000000000000 0.25071307626258 0.12500000000000 40.078 > 79 81 Ca 0.83333333333333 0.25071307626258 0.12500000000000 40.078 > 79 82 Ca 0.16666666666667 0.25071307626258 0.62500000000000 40.078 > 79 83 Ca 0.50000000000000 0.25071307626258 0.62500000000000 40.078 > 79 84 Ca 0.83333333333333 0.25071307626258 0.62500000000000 40.078 > 79 85 Ca 0.16666666666667 0.74928692373742 0.37500000000000 40.078 > 73 86 Ca 0.50000000000000 0.74928692373742 0.37500000000000 40.078 > 73 87 Ca 0.83333333333333 0.74928692373742 0.37500000000000 40.078 > 73 88 Ca 0.16666666666667 0.74928692373742 0.87500000000000 40.078 > 73 89 Ca 0.50000000000000 0.74928692373742 0.87500000000000 40.078 > 73 90 Ca 0.83333333333333 0.74928692373742 0.87500000000000 40.078 > 73 91 Ca 0.00000000000000 0.75071307626258 0.12500000000000 40.078 > 79 92 Ca 0.33333333333333 0.75071307626258 0.12500000000000 40.078 > 79 93 Ca 0.66666666666667 0.75071307626258 0.12500000000000 40.078 > 79 94 Ca 0.00000000000000 0.75071307626258 0.62500000000000 40.078 > 79 95 Ca 0.33333333333333 0.75071307626258 0.62500000000000 40.078 > 79 96 Ca 0.66666666666667 0.75071307626258 0.62500000000000 40.078 > 79 97 Pt 0.00000000000000 0.00000000000000 0.00000000000000 195.084 > 97 98 Pt 0.33333333333333 0.00000000000000 0.00000000000000 195.084 > 97 99 Pt 0.66666666666667 0.00000000000000 0.00000000000000 195.084 > 97 100 Pt 0.00000000000000 0.00000000000000 0.50000000000000 195.084 > 97 101 Pt 0.33333333333333 0.00000000000000 0.50000000000000 195.084 > 97 102 Pt 0.66666666666667 0.00000000000000 0.50000000000000 195.084 > 97 103 Pt 0.00000000000000 0.00000000000000 0.25000000000000 195.084 > 103 104 Pt 0.33333333333333 0.00000000000000 0.25000000000000 195.084 > 103 105 Pt 0.66666666666667 0.00000000000000 0.25000000000000 195.084 > 103 106 Pt 0.00000000000000 0.00000000000000 0.75000000000000 195.084 > 103 107 Pt 0.33333333333333 0.00000000000000 0.75000000000000 195.084 > 103 108 Pt 0.66666666666667 0.00000000000000 0.75000000000000 195.084 > 103 109 Pt 0.16666666666667 0.50000000000000 0.00000000000000 195.084 > 97 110 Pt 0.50000000000000 0.50000000000000 0.00000000000000 195.084 > 97 111 Pt 0.83333333333333 0.50000000000000 0.00000000000000 195.084 > 97 112 Pt 0.16666666666667 0.50000000000000 0.50000000000000 195.084 > 97 113 Pt 0.50000000000000 0.50000000000000 0.50000000000000 195.084 > 97 114 Pt 0.83333333333333 0.50000000000000 0.50000000000000 195.084 > 97 115 Pt 0.16666666666667 0.50000000000000 0.25000000000000 195.084 > 103 116 Pt 0.50000000000000 0.50000000000000 0.25000000000000 195.084 > 103 117 Pt 0.83333333333333 0.50000000000000 0.25000000000000 195.084 > 103 118 Pt 0.16666666666667 0.50000000000000 0.75000000000000 195.084 > 103 119 Pt 0.50000000000000 0.50000000000000 0.75000000000000 195.084 > 103 120 Pt 0.83333333333333 0.50000000000000 0.75000000000000 195.084 > 103 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.0902475 0.0000000 0.0000000 0.0000000 5.6708086 0.0000000 0.0000000 0.0000000 7.9493733 -------------------------- Born effective charges -------------------------- 1 O -2.9468717 0.0000000 0.0000000 0.0000000 -1.6282835 -0.3657410 0.0000000 -0.2692311 -0.9910373 2 O -2.9468717 0.0000000 0.0000000 0.0000000 -1.6282835 -0.3657410 0.0000000 -0.2692311 -0.9910373 3 O -2.9468717 0.0000000 0.0000000 0.0000000 -1.6282835 0.3657410 0.0000000 0.2692311 -0.9910373 4 O -2.9468717 0.0000000 0.0000000 0.0000000 -1.6282835 0.3657410 0.0000000 0.2692311 -0.9910373 5 O -0.9948990 0.0000000 0.0000000 0.0000000 -1.0973884 0.0000000 0.0000000 0.0000000 -2.9281584 6 O -0.9948990 0.0000000 0.0000000 0.0000000 -1.0973884 0.0000000 0.0000000 0.0000000 -2.9281584 7 Ca 2.4680907 0.0000000 0.0000000 0.0000000 3.3928917 0.0000000 0.0000000 0.0000000 2.3685323 8 Ca 2.4680907 0.0000000 0.0000000 0.0000000 3.3928917 0.0000000 0.0000000 0.0000000 2.3685323 9 Pt 4.4205516 0.0000000 0.0000000 0.0000000 0.9610638 0.5307534 0.0000000 1.5734808 2.5417007 10 Pt 4.4205516 0.0000000 0.0000000 0.0000000 0.9610638 -0.5307534 0.0000000 -1.5734808 2.5417007 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000003 (xyx) -0.00000003 (xyx) -0.00000003 (xxy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000002 (zy) -0.00000002 (zy) 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 20:26:25]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:26:25]------------------------- 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): [3 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.571511265000000 -4.905167430000000 0.000000000000000 b 1.571511265000000 4.905167430000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.326293320000002 Atomic positions (fractional): 1 O 0.37141495115806 0.62858504884194 0.54640712940518 15.999 2 O 0.62858504884194 0.37141495115806 0.45359287059482 15.999 3 O 0.62858504884194 0.37141495115806 0.04640712940518 15.999 4 O 0.37141495115806 0.62858504884194 0.95359287059482 15.999 5 O 0.08435176592890 0.91564823407110 0.75000000000000 15.999 6 O 0.91564823407110 0.08435176592890 0.25000000000000 15.999 7 Ca 0.75071307626258 0.24928692373742 0.75000000000000 40.078 8 Ca 0.24928692373742 0.75071307626258 0.25000000000000 40.078 9 Pt 0.00000000000000 0.00000000000000 0.00000000000000 195.084 10 Pt 0.00000000000000 0.00000000000000 0.50000000000000 195.084 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.429067590000001 0.000000000000000 0.000000000000000 b 0.000000000000000 9.810334859999999 0.000000000000000 c 0.000000000000000 0.000000000000000 14.652586640000004 Atomic positions (fractional): 1 O 0.16666666666667 0.12858504884194 0.27320356470259 15.999 > 1 2 O 0.50000000000000 0.12858504884194 0.27320356470259 15.999 > 1 3 O 0.83333333333333 0.12858504884194 0.27320356470259 15.999 > 1 4 O 0.16666666666667 0.12858504884194 0.77320356470259 15.999 > 1 5 O 0.50000000000000 0.12858504884194 0.77320356470259 15.999 > 1 6 O 0.83333333333333 0.12858504884194 0.77320356470259 15.999 > 1 7 O 0.00000000000000 0.37141495115806 0.22679643529741 15.999 > 7 8 O 0.33333333333333 0.37141495115806 0.22679643529741 15.999 > 7 9 O 0.66666666666667 0.37141495115806 0.22679643529741 15.999 > 7 10 O 0.00000000000000 0.37141495115806 0.72679643529741 15.999 > 7 11 O 0.33333333333333 0.37141495115806 0.72679643529741 15.999 > 7 12 O 0.66666666666667 0.37141495115806 0.72679643529741 15.999 > 7 13 O 0.00000000000000 0.37141495115806 0.02320356470259 15.999 > 13 14 O 0.33333333333333 0.37141495115806 0.02320356470259 15.999 > 13 15 O 0.66666666666667 0.37141495115806 0.02320356470259 15.999 > 13 16 O 0.00000000000000 0.37141495115806 0.52320356470259 15.999 > 13 17 O 0.33333333333333 0.37141495115806 0.52320356470259 15.999 > 13 18 O 0.66666666666667 0.37141495115806 0.52320356470259 15.999 > 13 19 O 0.16666666666667 0.12858504884194 0.47679643529741 15.999 > 19 20 O 0.50000000000000 0.12858504884194 0.47679643529741 15.999 > 19 21 O 0.83333333333333 0.12858504884194 0.47679643529741 15.999 > 19 22 O 0.16666666666667 0.12858504884194 0.97679643529741 15.999 > 19 23 O 0.50000000000000 0.12858504884194 0.97679643529741 15.999 > 19 24 O 0.83333333333333 0.12858504884194 0.97679643529741 15.999 > 19 25 O 0.16666666666667 0.41564823407110 0.37500000000000 15.999 > 25 26 O 0.50000000000000 0.41564823407110 0.37500000000000 15.999 > 25 27 O 0.83333333333333 0.41564823407110 0.37500000000000 15.999 > 25 28 O 0.16666666666667 0.41564823407110 0.87500000000000 15.999 > 25 29 O 0.50000000000000 0.41564823407110 0.87500000000000 15.999 > 25 30 O 0.83333333333333 0.41564823407110 0.87500000000000 15.999 > 25 31 O 0.00000000000000 0.08435176592890 0.12500000000000 15.999 > 31 32 O 0.33333333333333 0.08435176592890 0.12500000000000 15.999 > 31 33 O 0.66666666666667 0.08435176592890 0.12500000000000 15.999 > 31 34 O 0.00000000000000 0.08435176592890 0.62500000000000 15.999 > 31 35 O 0.33333333333333 0.08435176592890 0.62500000000000 15.999 > 31 36 O 0.66666666666667 0.08435176592890 0.62500000000000 15.999 > 31 37 O 0.00000000000000 0.62858504884194 0.27320356470259 15.999 > 1 38 O 0.33333333333333 0.62858504884194 0.27320356470259 15.999 > 1 39 O 0.66666666666667 0.62858504884194 0.27320356470259 15.999 > 1 40 O 0.00000000000000 0.62858504884194 0.77320356470259 15.999 > 1 41 O 0.33333333333333 0.62858504884194 0.77320356470259 15.999 > 1 42 O 0.66666666666667 0.62858504884194 0.77320356470259 15.999 > 1 43 O 0.16666666666667 0.87141495115806 0.22679643529741 15.999 > 7 44 O 0.50000000000000 0.87141495115806 0.22679643529741 15.999 > 7 45 O 0.83333333333333 0.87141495115806 0.22679643529741 15.999 > 7 46 O 0.16666666666667 0.87141495115806 0.72679643529741 15.999 > 7 47 O 0.50000000000000 0.87141495115806 0.72679643529741 15.999 > 7 48 O 0.83333333333333 0.87141495115806 0.72679643529741 15.999 > 7 49 O 0.16666666666667 0.87141495115806 0.02320356470259 15.999 > 13 50 O 0.50000000000000 0.87141495115806 0.02320356470259 15.999 > 13 51 O 0.83333333333333 0.87141495115806 0.02320356470259 15.999 > 13 52 O 0.16666666666667 0.87141495115806 0.52320356470259 15.999 > 13 53 O 0.50000000000000 0.87141495115806 0.52320356470259 15.999 > 13 54 O 0.83333333333333 0.87141495115806 0.52320356470259 15.999 > 13 55 O 0.00000000000000 0.62858504884194 0.47679643529741 15.999 > 19 56 O 0.33333333333333 0.62858504884194 0.47679643529741 15.999 > 19 57 O 0.66666666666667 0.62858504884194 0.47679643529741 15.999 > 19 58 O 0.00000000000000 0.62858504884194 0.97679643529741 15.999 > 19 59 O 0.33333333333333 0.62858504884194 0.97679643529741 15.999 > 19 60 O 0.66666666666667 0.62858504884194 0.97679643529741 15.999 > 19 61 O 0.00000000000000 0.91564823407110 0.37500000000000 15.999 > 25 62 O 0.33333333333333 0.91564823407110 0.37500000000000 15.999 > 25 63 O 0.66666666666667 0.91564823407110 0.37500000000000 15.999 > 25 64 O 0.00000000000000 0.91564823407110 0.87500000000000 15.999 > 25 65 O 0.33333333333333 0.91564823407110 0.87500000000000 15.999 > 25 66 O 0.66666666666667 0.91564823407110 0.87500000000000 15.999 > 25 67 O 0.16666666666667 0.58435176592890 0.12500000000000 15.999 > 31 68 O 0.50000000000000 0.58435176592890 0.12500000000000 15.999 > 31 69 O 0.83333333333333 0.58435176592890 0.12500000000000 15.999 > 31 70 O 0.16666666666667 0.58435176592890 0.62500000000000 15.999 > 31 71 O 0.50000000000000 0.58435176592890 0.62500000000000 15.999 > 31 72 O 0.83333333333333 0.58435176592890 0.62500000000000 15.999 > 31 73 Ca 0.00000000000000 0.24928692373742 0.37500000000000 40.078 > 73 74 Ca 0.33333333333333 0.24928692373742 0.37500000000000 40.078 > 73 75 Ca 0.66666666666667 0.24928692373742 0.37500000000000 40.078 > 73 76 Ca 0.00000000000000 0.24928692373742 0.87500000000000 40.078 > 73 77 Ca 0.33333333333333 0.24928692373742 0.87500000000000 40.078 > 73 78 Ca 0.66666666666667 0.24928692373742 0.87500000000000 40.078 > 73 79 Ca 0.16666666666667 0.25071307626258 0.12500000000000 40.078 > 79 80 Ca 0.50000000000000 0.25071307626258 0.12500000000000 40.078 > 79 81 Ca 0.83333333333333 0.25071307626258 0.12500000000000 40.078 > 79 82 Ca 0.16666666666667 0.25071307626258 0.62500000000000 40.078 > 79 83 Ca 0.50000000000000 0.25071307626258 0.62500000000000 40.078 > 79 84 Ca 0.83333333333333 0.25071307626258 0.62500000000000 40.078 > 79 85 Ca 0.16666666666667 0.74928692373742 0.37500000000000 40.078 > 73 86 Ca 0.50000000000000 0.74928692373742 0.37500000000000 40.078 > 73 87 Ca 0.83333333333333 0.74928692373742 0.37500000000000 40.078 > 73 88 Ca 0.16666666666667 0.74928692373742 0.87500000000000 40.078 > 73 89 Ca 0.50000000000000 0.74928692373742 0.87500000000000 40.078 > 73 90 Ca 0.83333333333333 0.74928692373742 0.87500000000000 40.078 > 73 91 Ca 0.00000000000000 0.75071307626258 0.12500000000000 40.078 > 79 92 Ca 0.33333333333333 0.75071307626258 0.12500000000000 40.078 > 79 93 Ca 0.66666666666667 0.75071307626258 0.12500000000000 40.078 > 79 94 Ca 0.00000000000000 0.75071307626258 0.62500000000000 40.078 > 79 95 Ca 0.33333333333333 0.75071307626258 0.62500000000000 40.078 > 79 96 Ca 0.66666666666667 0.75071307626258 0.62500000000000 40.078 > 79 97 Pt 0.00000000000000 0.00000000000000 0.00000000000000 195.084 > 97 98 Pt 0.33333333333333 0.00000000000000 0.00000000000000 195.084 > 97 99 Pt 0.66666666666667 0.00000000000000 0.00000000000000 195.084 > 97 100 Pt 0.00000000000000 0.00000000000000 0.50000000000000 195.084 > 97 101 Pt 0.33333333333333 0.00000000000000 0.50000000000000 195.084 > 97 102 Pt 0.66666666666667 0.00000000000000 0.50000000000000 195.084 > 97 103 Pt 0.00000000000000 0.00000000000000 0.25000000000000 195.084 > 103 104 Pt 0.33333333333333 0.00000000000000 0.25000000000000 195.084 > 103 105 Pt 0.66666666666667 0.00000000000000 0.25000000000000 195.084 > 103 106 Pt 0.00000000000000 0.00000000000000 0.75000000000000 195.084 > 103 107 Pt 0.33333333333333 0.00000000000000 0.75000000000000 195.084 > 103 108 Pt 0.66666666666667 0.00000000000000 0.75000000000000 195.084 > 103 109 Pt 0.16666666666667 0.50000000000000 0.00000000000000 195.084 > 97 110 Pt 0.50000000000000 0.50000000000000 0.00000000000000 195.084 > 97 111 Pt 0.83333333333333 0.50000000000000 0.00000000000000 195.084 > 97 112 Pt 0.16666666666667 0.50000000000000 0.50000000000000 195.084 > 97 113 Pt 0.50000000000000 0.50000000000000 0.50000000000000 195.084 > 97 114 Pt 0.83333333333333 0.50000000000000 0.50000000000000 195.084 > 97 115 Pt 0.16666666666667 0.50000000000000 0.25000000000000 195.084 > 103 116 Pt 0.50000000000000 0.50000000000000 0.25000000000000 195.084 > 103 117 Pt 0.83333333333333 0.50000000000000 0.25000000000000 195.084 > 103 118 Pt 0.16666666666667 0.50000000000000 0.75000000000000 195.084 > 103 119 Pt 0.50000000000000 0.50000000000000 0.75000000000000 195.084 > 103 120 Pt 0.83333333333333 0.50000000000000 0.75000000000000 195.084 > 103 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 8.0902475 0.0000000 0.0000000 0.0000000 5.6708086 0.0000000 0.0000000 0.0000000 7.9493733 -------------------------- Born effective charges -------------------------- 1 O -2.9468717 0.0000000 0.0000000 0.0000000 -1.6282835 -0.3657410 0.0000000 -0.2692311 -0.9910373 2 O -2.9468717 0.0000000 0.0000000 0.0000000 -1.6282835 -0.3657410 0.0000000 -0.2692311 -0.9910373 3 O -2.9468717 0.0000000 0.0000000 0.0000000 -1.6282835 0.3657410 0.0000000 0.2692311 -0.9910373 4 O -2.9468717 0.0000000 0.0000000 0.0000000 -1.6282835 0.3657410 0.0000000 0.2692311 -0.9910373 5 O -0.9948990 0.0000000 0.0000000 0.0000000 -1.0973884 0.0000000 0.0000000 0.0000000 -2.9281584 6 O -0.9948990 0.0000000 0.0000000 0.0000000 -1.0973884 0.0000000 0.0000000 0.0000000 -2.9281584 7 Ca 2.4680907 0.0000000 0.0000000 0.0000000 3.3928917 0.0000000 0.0000000 0.0000000 2.3685323 8 Ca 2.4680907 0.0000000 0.0000000 0.0000000 3.3928917 0.0000000 0.0000000 0.0000000 2.3685323 9 Pt 4.4205516 0.0000000 0.0000000 0.0000000 0.9610638 0.5307534 0.0000000 1.5734808 2.5417007 10 Pt 4.4205516 0.0000000 0.0000000 0.0000000 0.9610638 -0.5307534 0.0000000 -1.5734808 2.5417007 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000003 (xyx) -0.00000003 (xyx) -0.00000003 (xxy) 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 ... [ 17 17 7 ] 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: 0.86, Number of G-points: 295, Lambda: 0.24 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/324) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 324 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 3.107 ( 0.000 0.000 0.000) 0.000 3.477 ( 0.000 0.000 0.000) 0.000 4.121 ( 0.000 0.000 0.000) 0.000 4.938 ( 0.000 0.000 0.000) 0.000 5.485 ( 0.000 0.000 0.000) 0.000 5.611 ( 0.000 0.000 0.000) 0.000 6.535 ( 0.000 0.000 0.000) 0.000 7.882 ( 0.000 0.000 0.000) 0.000 7.897 ( 0.000 0.000 0.000) 0.000 8.194 ( 0.000 0.000 0.000) 0.000 9.757 ( 0.000 0.000 0.000) 0.000 9.768 ( 0.000 0.000 0.000) 0.000 10.741 ( 0.000 0.000 0.000) 0.000 11.343 ( 0.000 0.000 0.000) 0.000 12.548 ( 0.000 0.000 0.000) 0.000 14.850 ( 0.000 0.000 0.000) 0.000 15.244 ( 0.000 0.000 0.000) 0.000 15.377 ( 0.000 0.000 0.000) 0.000 15.474 ( 0.000 0.000 0.000) 0.000 15.917 ( 0.000 0.000 0.000) 0.000 16.159 ( 0.000 0.000 0.000) 0.000 16.223 ( 0.000 0.000 0.000) 0.000 16.462 ( 0.000 0.000 0.000) 0.000 16.878 ( 0.000 0.000 0.000) 0.000 17.886 ( 0.000 0.000 0.000) 0.000 19.138 ( 0.000 0.000 0.000) 0.000 19.817 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/324) ======================= q-point: ( 0.06 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 580 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.370 ( 16.585 -13.281 0.000) 21.247 0.625 ( 30.557 -10.825 0.000) 32.418 1.257 ( 62.920 -11.993 0.000) 64.053 3.295 ( 19.071 -0.927 0.000) 19.094 3.531 ( 5.652 -0.209 0.000) 5.656 4.321 ( 19.973 -0.551 0.000) 19.981 5.357 ( 18.853 9.072 0.000) 20.922 5.454 ( -2.415 2.771 0.000) 3.676 5.642 ( 1.171 1.322 0.000) 1.766 6.527 ( -2.636 -5.782 0.000) 6.355 7.916 ( 0.106 2.055 0.000) 2.058 7.922 ( -15.474 -26.878 0.000) 31.014 8.189 ( 3.430 -0.164 0.000) 3.434 9.804 ( 4.550 0.360 0.000) 4.564 9.841 ( 7.354 -1.253 0.000) 7.460 11.141 ( 9.415 3.353 0.000) 9.995 11.265 ( -8.319 0.117 0.000) 8.320 12.525 ( -2.564 -0.561 0.000) 2.625 14.850 ( -0.554 -1.218 0.000) 1.338 15.115 ( -12.301 -0.012 0.000) 12.301 15.458 ( 7.382 -3.214 0.000) 8.051 15.686 ( -15.705 3.271 0.000) 16.042 16.260 ( 9.019 2.328 0.000) 9.314 16.405 ( 13.598 4.652 0.000) 14.372 16.513 ( 5.389 -2.116 0.000) 5.790 16.881 ( 0.673 -0.702 0.000) 0.973 17.823 ( 4.576 16.194 0.000) 16.829 19.019 ( -1.698 9.352 0.000) 9.505 19.140 ( 0.252 -0.013 0.000) 0.253 19.813 ( -0.421 0.034 0.000) 0.422 ======================= Grid point 2 (3/324) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 580 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.797 ( 20.861 -13.081 0.000) 24.623 1.280 ( 32.985 -9.467 0.000) 34.317 2.489 ( 61.296 -10.190 0.000) 62.138 3.679 ( 11.892 1.885 0.000) 12.040 3.800 ( 31.435 -1.805 0.000) 31.487 4.789 ( 26.562 -0.359 0.000) 26.565 5.369 ( -4.164 4.337 0.000) 6.012 5.681 ( 8.542 12.065 0.000) 14.783 5.776 ( 28.146 1.796 0.000) 28.203 6.513 ( -3.456 -9.741 0.000) 10.336 7.746 ( -14.087 4.979 0.000) 14.941 7.769 ( -12.015 -11.480 0.000) 16.618 8.434 ( 19.968 -1.807 0.000) 20.049 9.896 ( 4.507 0.305 0.000) 4.517 10.040 ( 12.623 -1.111 0.000) 12.672 11.035 ( -16.010 0.239 0.000) 16.012 11.366 ( 16.094 2.106 0.000) 16.231 12.469 ( -3.280 -0.074 0.000) 3.281 14.838 ( -1.722 -1.171 0.000) 2.082 14.848 ( -14.971 0.561 0.000) 14.982 15.362 ( -16.807 1.299 0.000) 16.857 15.652 ( 9.595 -4.084 0.000) 10.428 16.398 ( 9.055 7.912 0.000) 12.024 16.553 ( 7.132 14.323 0.000) 16.000 16.695 ( 9.989 -7.435 0.000) 12.452 16.946 ( 4.045 -7.424 0.000) 8.455 17.804 ( 0.339 5.535 0.000) 5.546 18.886 ( -8.076 4.489 0.000) 9.240 19.147 ( 0.430 0.006 0.000) 0.430 19.803 ( -0.628 0.020 0.000) 0.628 ======================= Grid point 3 (4/324) ======================= q-point: ( 0.18 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 580 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.312 ( 26.005 -12.391 0.000) 28.806 1.968 ( 34.878 -7.625 0.000) 35.702 3.655 ( 57.110 -6.876 0.000) 57.523 3.917 ( 15.659 4.202 0.000) 16.213 4.474 ( 38.094 -0.911 0.000) 38.105 5.191 ( 15.298 3.495 0.000) 15.692 5.254 ( -5.032 4.473 0.000) 6.732 5.841 ( 16.689 14.097 0.000) 21.846 6.350 ( 27.471 -6.787 0.000) 28.297 6.542 ( 4.920 -5.699 0.000) 7.529 7.393 ( -19.262 5.047 0.000) 19.913 7.666 ( -3.274 -8.230 0.000) 8.858 8.891 ( 26.706 -1.705 0.000) 26.760 9.935 ( -1.283 -0.964 0.000) 1.605 10.312 ( 15.910 0.336 0.000) 15.914 10.670 ( -22.499 0.364 0.000) 22.502 11.703 ( 20.443 0.854 0.000) 20.461 12.417 ( -1.595 1.146 0.000) 1.964 14.570 ( -13.741 1.308 0.000) 13.803 14.783 ( -4.659 2.124 0.000) 5.121 15.061 ( -14.523 -1.178 0.000) 14.571 15.817 ( 6.702 2.488 0.000) 7.149 16.519 ( 7.640 4.840 0.000) 9.044 16.526 ( 1.866 18.928 0.000) 19.020 16.932 ( 9.824 -7.686 0.000) 12.473 17.077 ( 2.865 -9.672 0.000) 10.088 17.768 ( -1.538 2.477 0.000) 2.916 18.664 ( -12.982 3.654 0.000) 13.487 19.156 ( 0.472 0.057 0.000) 0.476 19.791 ( -0.543 -0.045 0.000) 0.545 ======================= Grid point 4 (5/324) ======================= q-point: ( 0.24 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 580 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.909 ( 29.839 -11.015 0.000) 31.807 2.665 ( 35.010 -5.625 0.000) 35.459 4.205 ( 18.516 7.425 0.000) 19.949 4.659 ( 45.043 -0.636 0.000) 45.048 5.134 ( -4.945 3.625 0.000) 6.131 5.180 ( 34.408 -1.370 0.000) 34.435 5.373 ( 11.611 8.136 0.000) 14.178 6.035 ( 8.507 6.998 0.000) 11.016 6.537 ( -0.617 -10.824 0.000) 10.841 7.016 ( -16.021 4.137 0.000) 16.547 7.072 ( 35.685 -1.366 0.000) 35.711 7.820 ( 15.773 -6.984 0.000) 17.251 9.422 ( 28.368 -1.330 0.000) 28.400 9.845 ( -9.405 -2.657 0.000) 9.773 10.199 ( -27.169 0.466 0.000) 27.173 10.617 ( 16.858 1.544 0.000) 16.929 12.100 ( 21.478 -0.234 0.000) 21.480 12.404 ( 1.559 2.644 0.000) 3.070 14.328 ( -10.669 2.735 0.000) 11.014 14.613 ( -9.820 7.160 0.000) 12.153 14.863 ( -8.519 -3.609 0.000) 9.252 15.867 ( 3.306 11.104 0.000) 11.585 16.420 ( -0.813 18.915 0.000) 18.933 16.592 ( 0.689 -0.309 0.000) 0.755 17.130 ( -3.537 -8.280 0.000) 9.004 17.144 ( 8.182 -5.954 0.000) 10.119 17.718 ( -2.324 1.862 0.000) 2.978 18.364 ( -16.255 3.963 0.000) 16.731 19.163 ( 0.368 0.119 0.000) 0.386 19.784 ( -0.220 -0.106 0.000) 0.244 ======================= Grid point 5 (6/324) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 580 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.542 ( 30.878 -8.844 0.000) 32.119 3.331 ( 32.721 -3.657 0.000) 32.925 4.509 ( 18.938 9.576 0.000) 21.222 5.028 ( -4.055 2.841 0.000) 4.951 5.173 ( 13.374 10.640 0.000) 17.090 5.649 ( 9.327 -4.862 0.000) 10.519 5.689 ( 24.333 4.398 0.000) 24.727 6.055 ( -2.966 2.024 0.000) 3.591 6.651 ( 9.014 -10.273 0.000) 13.667 6.876 ( 8.114 4.321 0.000) 9.193 7.728 ( 32.181 -2.950 0.000) 32.316 8.294 ( 28.560 -4.963 0.000) 28.988 9.626 ( -15.505 -3.885 0.000) 15.985 9.658 ( -28.919 0.757 0.000) 28.929 9.950 ( 25.745 -1.163 0.000) 25.771 10.912 ( 15.539 2.143 0.000) 15.686 12.403 ( 5.439 3.013 0.000) 6.218 12.526 ( 17.870 -0.299 0.000) 17.872 14.146 ( -6.216 4.417 0.000) 7.625 14.386 ( -8.511 7.888 0.000) 11.605 14.745 ( -6.343 -1.427 0.000) 6.502 15.820 ( 0.439 15.487 0.000) 15.493 16.269 ( -4.123 16.226 0.000) 16.742 16.534 ( -7.439 -1.723 0.000) 7.636 17.035 ( -10.769 -4.899 0.000) 11.831 17.296 ( 4.481 -4.403 0.000) 6.283 17.663 ( -2.320 2.084 0.000) 3.119 18.026 ( -16.769 3.699 0.000) 17.172 19.167 ( 0.170 0.181 0.000) 0.248 19.785 ( 0.216 -0.111 0.000) 0.243 ======================= Grid point 6 (7/324) ======================= q-point: ( 0.35 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 580 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.146 ( 28.269 -5.930 0.000) 28.884 3.917 ( 27.588 -1.806 0.000) 27.647 4.775 ( 13.802 8.138 0.000) 16.022 4.961 ( -0.182 3.499 0.000) 3.504 5.255 ( 5.168 10.678 0.000) 11.863 5.616 ( -11.557 -7.661 0.000) 13.866 5.876 ( -4.373 9.134 0.000) 10.127 6.073 ( 8.601 -6.640 0.000) 10.866 7.007 ( 20.893 -5.920 0.000) 21.716 7.236 ( 27.347 3.667 0.000) 27.591 8.290 ( 25.651 -2.553 0.000) 25.778 8.854 ( 24.828 -4.390 0.000) 25.213 9.111 ( -28.009 0.734 0.000) 28.018 9.352 ( -13.568 -3.709 0.000) 14.065 10.400 ( 20.999 -0.765 0.000) 21.013 11.163 ( 12.445 2.130 0.000) 12.625 12.455 ( 3.189 3.175 0.000) 4.500 12.864 ( 16.053 -0.732 0.000) 16.070 14.048 ( -1.022 5.490 0.000) 5.585 14.224 ( -3.616 7.276 0.000) 8.125 14.642 ( -4.649 0.536 0.000) 4.680 15.706 ( -2.948 14.296 0.000) 14.596 16.065 ( -9.229 10.928 0.000) 14.304 16.356 ( -11.307 -0.307 0.000) 11.311 16.808 ( -13.779 0.498 0.000) 13.788 17.360 ( 0.077 -3.177 0.000) 3.178 17.597 ( -4.412 2.604 0.000) 5.123 17.725 ( -12.014 1.518 0.000) 12.109 19.167 ( -0.022 0.223 0.000) 0.224 19.793 ( 0.552 -0.058 0.000) 0.555 ======================= Grid point 7 (8/324) ======================= q-point: ( 0.41 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 580 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.641 ( 20.923 -2.831 0.000) 21.114 4.366 ( 19.269 -0.267 0.000) 19.271 4.860 ( 1.134 2.806 0.000) 3.026 5.021 ( 6.015 4.219 0.000) 7.347 5.275 ( 2.794 6.875 0.000) 7.421 5.457 ( -7.711 -6.011 0.000) 9.776 5.707 ( -7.746 3.291 0.000) 8.416 6.253 ( 7.107 -2.925 0.000) 7.685 7.396 ( 16.443 -2.048 0.000) 16.570 7.702 ( 22.036 2.091 0.000) 22.135 8.635 ( -21.437 0.643 0.000) 21.447 8.701 ( 16.546 -1.309 0.000) 16.597 8.952 ( -12.050 -3.584 0.000) 12.572 9.468 ( 18.734 -2.610 0.000) 18.915 10.730 ( 13.555 -0.460 0.000) 13.563 11.346 ( 8.104 1.544 0.000) 8.250 12.487 ( 1.832 2.018 0.000) 2.726 13.115 ( 10.151 -0.329 0.000) 10.156 14.038 ( 2.981 4.974 0.000) 5.799 14.165 ( 0.995 5.257 0.000) 5.350 14.578 ( -1.295 1.148 0.000) 1.731 15.547 ( -6.245 8.404 0.000) 10.470 15.796 ( -13.725 4.822 0.000) 14.547 16.154 ( -8.771 1.880 0.000) 8.970 16.563 ( -9.678 4.282 0.000) 10.583 17.351 ( -2.196 -2.018 0.000) 2.982 17.422 ( -9.802 1.311 0.000) 9.890 17.617 ( -1.692 0.593 0.000) 1.793 19.165 ( -0.104 0.198 0.000) 0.224 19.804 ( 0.566 -0.004 0.000) 0.566 ======================= Grid point 8 (9/324) ======================= q-point: ( 0.47 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 580 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.929 ( 7.909 -0.659 0.000) 7.936 4.620 ( 7.279 0.251 0.000) 7.283 4.867 ( 1.209 1.971 0.000) 2.313 5.048 ( -1.162 -1.240 0.000) 1.700 5.282 ( 0.942 2.218 0.000) 2.410 5.416 ( -0.111 -0.869 0.000) 0.876 5.582 ( -3.577 0.848 0.000) 3.677 6.364 ( 3.011 -0.932 0.000) 3.152 7.616 ( 5.907 -0.437 0.000) 5.923 7.985 ( 8.230 0.662 0.000) 8.257 8.343 ( -8.411 0.273 0.000) 8.416 8.773 ( -5.789 -1.208 0.000) 5.914 8.922 ( 5.607 -0.404 0.000) 5.622 9.747 ( 7.882 -1.080 0.000) 7.955 10.904 ( 4.684 -0.155 0.000) 4.687 11.443 ( 2.846 0.558 0.000) 2.900 12.499 ( 0.491 0.660 0.000) 0.823 13.242 ( 3.368 -0.034 0.000) 3.369 14.075 ( 2.317 2.133 0.000) 3.149 14.171 ( 1.154 1.878 0.000) 2.204 14.580 ( 1.345 0.599 0.000) 1.472 15.407 ( -3.964 2.264 0.000) 4.565 15.552 ( -8.118 1.109 0.000) 8.193 16.031 ( -2.901 1.417 0.000) 3.229 16.421 ( -3.108 2.386 0.000) 3.919 17.284 ( -3.872 0.231 0.000) 3.878 17.323 ( -1.250 -0.712 0.000) 1.439 17.598 ( -0.354 0.238 0.000) 0.426 19.162 ( -0.053 0.081 0.000) 0.097 19.812 ( 0.236 0.007 0.000) 0.236 ======================= Grid point 18 (10/324) ======================= q-point: ( 0.06 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.713 ( 22.970 0.000 0.000) 22.970 1.221 ( 35.005 0.000 0.000) 35.005 2.426 ( 63.631 0.000 0.000) 63.631 3.691 ( 11.495 0.000 0.000) 11.495 3.788 ( 32.622 0.000 0.000) 32.622 4.786 ( 26.958 0.000 0.000) 26.958 5.395 ( -4.563 -0.000 0.000) 4.563 5.761 ( 10.150 0.000 0.000) 10.150 5.783 ( 25.506 0.000 0.000) 25.506 6.453 ( -2.969 -0.000 0.000) 2.969 7.693 ( -8.110 -0.000 0.000) 8.110 7.776 ( -14.536 -0.000 0.000) 14.536 8.423 ( 20.158 0.000 0.000) 20.158 9.898 ( 4.184 0.000 0.000) 4.184 10.032 ( 13.170 0.000 0.000) 13.170 11.036 ( -16.007 -0.000 0.000) 16.007 11.379 ( 15.397 0.000 0.000) 15.397 12.469 ( -2.990 -0.000 0.000) 2.990 14.831 ( -1.200 -0.000 0.000) 1.200 14.852 ( -14.882 -0.000 0.000) 14.882 15.371 ( -17.444 -0.000 0.000) 17.444 15.626 ( 11.018 0.000 0.000) 11.018 16.459 ( 9.489 0.000 0.000) 9.489 16.638 ( 9.171 0.000 0.000) 9.171 16.660 ( 10.865 0.000 0.000) 10.865 16.882 ( 0.168 0.000 0.000) 0.168 17.838 ( -2.280 -0.000 0.000) 2.280 18.916 ( -9.463 -0.000 0.000) 9.463 19.147 ( 0.440 0.000 0.000) 0.440 19.803 ( -0.645 -0.000 0.000) 0.645 ======================= Grid point 19 (11/324) ======================= q-point: ( 0.12 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 580 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.208 ( 28.059 -4.596 0.000) 28.433 1.905 ( 36.730 -2.714 0.000) 36.831 3.597 ( 59.727 -2.585 0.000) 59.783 3.952 ( 16.446 1.447 0.000) 16.509 4.467 ( 38.398 -0.315 0.000) 38.399 5.216 ( 17.447 0.974 0.000) 17.474 5.291 ( -5.773 1.595 0.000) 5.989 6.002 ( 16.762 10.969 0.000) 20.032 6.239 ( 13.412 -9.275 0.000) 16.307 6.514 ( 16.959 -0.419 0.000) 16.964 7.433 ( -20.299 1.695 0.000) 20.369 7.592 ( -2.024 -3.455 0.000) 4.004 8.877 ( 27.075 -0.590 0.000) 27.081 9.927 ( -1.830 -0.316 0.000) 1.857 10.315 ( 16.489 0.076 0.000) 16.489 10.673 ( -22.497 0.124 0.000) 22.498 11.710 ( 19.719 0.275 0.000) 19.721 12.427 ( -1.033 0.436 0.000) 1.121 14.582 ( -13.405 0.520 0.000) 13.415 14.798 ( -2.405 0.574 0.000) 2.472 15.054 ( -16.056 -0.181 0.000) 16.057 15.833 ( 10.153 0.464 0.000) 10.163 16.579 ( 4.793 3.864 0.000) 6.156 16.739 ( 2.742 15.876 0.000) 16.111 16.852 ( 11.275 -4.509 0.000) 12.143 16.940 ( 1.482 -12.629 0.000) 12.716 17.789 ( -2.426 0.938 0.000) 2.601 18.695 ( -13.462 1.407 0.000) 13.536 19.156 ( 0.485 0.016 0.000) 0.486 19.791 ( -0.569 -0.015 0.000) 0.570 ======================= Grid point 20 (12/324) ======================= q-point: ( 0.18 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 580 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.805 ( 31.842 -6.087 0.000) 32.419 2.612 ( 36.505 -3.114 0.000) 36.637 4.274 ( 19.244 3.913 0.000) 19.638 4.647 ( 49.335 -0.992 0.000) 49.345 5.164 ( 19.831 0.411 0.000) 19.835 5.173 ( 8.122 0.960 0.000) 8.179 5.447 ( 10.826 4.112 0.000) 11.581 6.139 ( 5.590 9.963 0.000) 11.424 6.409 ( 1.686 -10.606 0.000) 10.739 7.052 ( -16.942 1.982 0.000) 17.058 7.061 ( 33.993 -0.501 0.000) 33.997 7.748 ( 17.284 -4.673 0.000) 17.905 9.410 ( 28.736 -0.685 0.000) 28.744 9.821 ( -9.911 -1.352 0.000) 10.003 10.204 ( -27.203 0.234 0.000) 27.204 10.631 ( 17.139 0.771 0.000) 17.156 12.097 ( 21.177 -0.191 0.000) 21.178 12.430 ( 1.846 1.480 0.000) 2.366 14.354 ( -10.086 1.553 0.000) 10.205 14.693 ( -8.473 6.137 0.000) 10.462 14.817 ( -8.684 -4.162 0.000) 9.630 15.972 ( 6.356 6.062 0.000) 8.783 16.595 ( -1.764 0.645 0.000) 1.878 16.639 ( -2.019 17.413 0.000) 17.529 17.007 ( -3.220 -12.027 0.000) 12.450 17.081 ( 9.743 -4.164 0.000) 10.595 17.738 ( -2.319 1.290 0.000) 2.653 18.402 ( -16.456 2.235 0.000) 16.607 19.164 ( 0.370 0.042 0.000) 0.372 19.783 ( -0.227 -0.056 0.000) 0.234 ======================= Grid point 21 (13/324) ======================= q-point: ( 0.24 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 580 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.453 ( 32.961 -5.886 0.000) 33.482 3.292 ( 33.856 -2.678 0.000) 33.962 4.605 ( 18.769 6.309 0.000) 19.801 5.059 ( -4.241 2.317 0.000) 4.833 5.291 ( 17.722 8.785 0.000) 19.780 5.599 ( 7.054 -3.493 0.000) 7.872 5.694 ( 18.341 -2.540 0.000) 18.516 6.127 ( -2.153 8.897 0.000) 9.154 6.531 ( 10.419 -9.808 0.000) 14.309 6.917 ( 7.979 2.475 0.000) 8.354 7.697 ( 32.262 -2.049 0.000) 32.327 8.238 ( 29.513 -4.003 0.000) 29.783 9.588 ( -15.592 -2.498 0.000) 15.791 9.666 ( -29.193 0.504 0.000) 29.197 9.938 ( 26.273 -0.766 0.000) 26.285 10.933 ( 15.522 1.356 0.000) 15.581 12.439 ( 7.840 2.926 0.000) 8.368 12.518 ( 15.295 -1.138 0.000) 15.337 14.191 ( -5.704 2.995 0.000) 6.442 14.474 ( -8.914 6.558 0.000) 11.066 14.722 ( -5.063 -2.200 0.000) 5.520 15.990 ( 1.392 12.384 0.000) 12.462 16.459 ( -6.959 15.092 0.000) 16.619 16.505 ( -8.439 -2.977 0.000) 8.949 16.953 ( -9.030 -8.465 0.000) 12.378 17.249 ( 5.610 -3.252 0.000) 6.484 17.687 ( -2.127 1.836 0.000) 2.810 18.066 ( -17.348 2.779 0.000) 17.569 19.169 ( 0.159 0.067 0.000) 0.173 19.784 ( 0.246 -0.067 0.000) 0.255 ======================= Grid point 22 (14/324) ======================= q-point: ( 0.29 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 580 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.084 ( 30.418 -4.416 0.000) 30.737 3.894 ( 28.409 -1.895 0.000) 28.472 4.855 ( 9.022 5.024 0.000) 10.326 5.012 ( 3.346 5.050 0.000) 6.058 5.389 ( 4.023 11.419 0.000) 12.107 5.526 ( -12.474 -7.116 0.000) 14.362 5.924 ( -7.476 -4.173 0.000) 8.562 6.039 ( 8.651 3.726 0.000) 9.419 6.941 ( 24.345 -4.872 0.000) 24.828 7.274 ( 26.315 2.541 0.000) 26.437 8.268 ( 27.060 -1.189 0.000) 27.086 8.801 ( 24.615 -4.207 0.000) 24.972 9.119 ( -28.058 0.523 0.000) 28.062 9.312 ( -12.930 -2.970 0.000) 13.266 10.392 ( 21.225 -0.552 0.000) 21.232 11.185 ( 12.157 1.566 0.000) 12.258 12.493 ( 2.711 3.115 0.000) 4.130 12.851 ( 16.106 -1.252 0.000) 16.155 14.107 ( -1.066 4.178 0.000) 4.312 14.308 ( -4.360 6.561 0.000) 7.877 14.643 ( -4.117 -0.432 0.000) 4.139 15.875 ( -5.131 13.768 0.000) 14.693 16.194 ( -13.113 10.412 0.000) 16.744 16.335 ( -11.011 -3.320 0.000) 11.501 16.787 ( -11.920 -3.675 0.000) 12.474 17.327 ( 1.092 -2.298 0.000) 2.544 17.632 ( -3.151 2.794 0.000) 4.212 17.746 ( -13.916 1.959 0.000) 14.053 19.169 ( -0.049 0.093 0.000) 0.106 19.792 ( 0.602 -0.026 0.000) 0.602 ======================= Grid point 23 (15/324) ======================= q-point: ( 0.35 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 580 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.611 ( 22.713 -2.252 0.000) 22.824 4.358 ( 19.749 -0.966 0.000) 19.773 4.892 ( 0.978 2.484 0.000) 2.669 5.066 ( 0.318 3.113 0.000) 3.129 5.366 ( 0.361 8.353 0.000) 8.360 5.390 ( -3.286 -4.877 0.000) 5.881 5.734 ( -9.675 0.926 0.000) 9.719 6.218 ( 7.977 -2.735 0.000) 8.433 7.371 ( 17.764 -2.020 0.000) 17.878 7.725 ( 21.047 1.631 0.000) 21.110 8.642 ( -21.564 0.531 0.000) 21.570 8.701 ( 18.517 1.135 0.000) 18.552 8.911 ( -10.669 -3.168 0.000) 11.130 9.428 ( 18.396 -3.923 0.000) 18.809 10.725 ( 13.751 -0.364 0.000) 13.756 11.363 ( 7.562 1.268 0.000) 7.668 12.512 ( 1.051 2.192 0.000) 2.431 13.108 ( 10.379 -0.724 0.000) 10.404 14.093 ( 1.816 4.091 0.000) 4.476 14.231 ( -0.284 5.683 0.000) 5.690 14.585 ( -1.743 0.055 0.000) 1.744 15.655 ( -9.809 9.424 0.000) 13.603 15.860 ( -16.336 5.709 0.000) 17.305 16.156 ( -9.124 -1.440 0.000) 9.237 16.579 ( -11.059 -1.206 0.000) 11.125 17.333 ( -1.040 -1.066 0.000) 1.489 17.454 ( -9.759 3.739 0.000) 10.450 17.624 ( -1.781 0.523 0.000) 1.857 19.166 ( -0.170 0.094 0.000) 0.194 19.804 ( 0.601 0.028 0.000) 0.601 ======================= Grid point 24 (16/324) ======================= q-point: ( 0.41 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 580 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.922 ( 8.811 -0.570 0.000) 8.829 4.620 ( 7.137 -0.262 0.000) 7.142 4.885 ( -1.608 1.030 0.000) 1.909 5.033 ( 0.109 -1.104 0.000) 1.110 5.312 ( -2.254 2.817 0.000) 3.608 5.411 ( 1.451 -0.078 0.000) 1.453 5.593 ( -4.110 1.018 0.000) 4.234 6.347 ( 3.802 -1.793 0.000) 4.203 7.606 ( 6.222 -1.072 0.000) 6.313 7.992 ( 7.354 0.489 0.000) 7.371 8.346 ( -8.677 0.324 0.000) 8.683 8.758 ( -4.400 -1.227 0.000) 4.568 8.938 ( 7.501 3.049 0.000) 8.097 9.720 ( 8.301 -3.370 0.000) 8.959 10.902 ( 4.879 -0.127 0.000) 4.881 11.449 ( 2.150 0.475 0.000) 2.202 12.509 ( -0.286 0.906 0.000) 0.950 13.241 ( 3.458 -0.205 0.000) 3.464 14.098 ( -0.244 1.738 0.000) 1.755 14.203 ( -0.512 3.420 0.000) 3.458 14.579 ( 0.104 -0.851 0.000) 0.857 15.451 ( -5.879 4.994 0.000) 7.714 15.577 ( -8.940 2.984 0.000) 9.425 16.024 ( -5.835 -2.561 0.000) 6.372 16.412 ( -7.719 -3.504 0.000) 8.477 17.309 ( -3.038 3.540 0.000) 4.664 17.321 ( 0.042 0.406 0.000) 0.408 17.601 ( -0.654 0.217 0.000) 0.689 19.163 ( -0.164 0.014 0.000) 0.165 19.812 ( 0.245 0.048 0.000) 0.250 ======================= Grid point 25 (17/324) ======================= q-point: (-0.53 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 580 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.937 ( -6.887 0.665 0.000) 6.919 4.614 ( -7.746 -0.663 0.000) 7.774 4.841 ( -2.381 -2.241 0.000) 3.270 5.059 ( -0.271 0.593 0.000) 0.652 5.259 ( -3.246 -1.737 0.000) 3.682 5.432 ( 2.639 1.748 0.000) 3.165 5.575 ( 2.237 -0.220 0.000) 2.247 6.369 ( -2.073 -0.104 0.000) 2.075 7.617 ( -5.388 -0.235 0.000) 5.393 7.976 ( -9.121 -0.750 0.000) 9.152 8.340 ( 8.079 -0.187 0.000) 8.081 8.786 ( 7.253 1.051 0.000) 7.329 8.948 ( -4.116 3.854 0.000) 5.639 9.745 ( -7.287 -1.412 0.000) 7.422 10.906 ( -4.480 0.164 0.000) 4.483 11.436 ( -3.551 -0.566 0.000) 3.595 12.494 ( -1.165 -0.286 0.000) 1.200 13.242 ( -3.438 -0.167 0.000) 3.442 14.048 ( -4.879 -2.240 0.000) 5.369 14.158 ( -3.191 -0.241 0.000) 3.200 14.566 ( -2.096 -1.670 0.000) 2.680 15.398 ( 1.475 0.733 0.000) 1.647 15.551 ( 7.138 1.035 0.000) 7.212 15.991 ( 0.493 -5.157 0.000) 5.181 16.355 ( -1.496 -8.235 0.000) 8.369 17.303 ( 4.483 3.136 0.000) 5.471 17.338 ( 2.391 1.727 0.000) 2.950 17.595 ( 0.068 -0.234 0.000) 0.244 19.161 ( -0.074 -0.144 0.000) 0.162 19.812 ( -0.227 0.039 0.000) 0.231 ======================= Grid point 26 (18/324) ======================= q-point: (-0.47 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 580 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.677 ( -18.906 3.084 0.000) 19.156 4.363 ( -18.889 -0.733 0.000) 18.903 4.826 ( -2.067 -2.738 0.000) 3.430 4.967 ( -9.375 -4.819 0.000) 10.541 5.203 ( -4.905 -5.037 0.000) 7.031 5.531 ( 10.374 6.327 0.000) 12.151 5.661 ( 4.690 -4.184 0.000) 6.285 6.286 ( -5.536 2.384 0.000) 6.027 7.419 ( -14.619 1.914 0.000) 14.743 7.675 ( -23.205 -2.318 0.000) 23.321 8.627 ( 21.249 -0.674 0.000) 21.260 8.732 ( -15.341 3.829 0.000) 15.811 8.995 ( 13.415 3.488 0.000) 13.861 9.488 ( -18.537 0.648 0.000) 18.549 10.736 ( -13.328 0.501 0.000) 13.337 11.326 ( -8.710 -1.607 0.000) 8.857 12.466 ( -2.434 -1.378 0.000) 2.797 13.115 ( -10.194 -0.270 0.000) 10.198 13.977 ( -4.177 -5.171 0.000) 6.647 14.107 ( -2.793 -4.359 0.000) 5.177 14.561 ( 1.238 -1.513 0.000) 1.955 15.456 ( 1.829 -6.805 0.000) 7.047 15.747 ( 10.510 -3.304 0.000) 11.017 16.115 ( 9.179 -4.384 0.000) 10.173 16.476 ( 8.818 -9.892 0.000) 13.252 17.380 ( 3.071 2.690 0.000) 4.083 17.425 ( 9.447 1.684 0.000) 9.596 17.610 ( 1.579 -0.577 0.000) 1.681 19.162 ( 0.005 -0.306 0.000) 0.306 19.804 ( -0.532 0.047 0.000) 0.534 ======================= Grid point 27 (19/324) ======================= q-point: (-0.41 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 580 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.223 ( -25.732 6.705 0.000) 26.591 3.934 ( -26.460 1.042 0.000) 26.481 4.668 ( -17.240 -9.316 0.000) 19.596 4.924 ( 1.610 -2.776 0.000) 3.209 5.137 ( -6.677 -8.949 0.000) 11.166 5.708 ( 11.167 7.636 0.000) 13.528 5.753 ( -1.904 -10.803 0.000) 10.970 6.154 ( -4.871 6.468 0.000) 8.097 7.081 ( -17.247 6.480 0.000) 18.424 7.187 ( -28.910 -4.538 0.000) 29.264 8.328 ( -25.037 3.684 0.000) 25.306 8.903 ( -25.164 3.613 0.000) 25.422 9.102 ( 27.940 -0.869 0.000) 27.954 9.398 ( 14.879 3.835 0.000) 15.365 10.410 ( -20.717 0.893 0.000) 20.736 11.135 ( -12.837 -2.427 0.000) 13.064 12.420 ( -3.546 -2.470 0.000) 4.322 12.867 ( -16.227 -0.183 0.000) 16.228 13.978 ( 1.048 -5.996 0.000) 6.087 14.137 ( 2.659 -7.100 0.000) 7.582 14.632 ( 5.192 -1.091 0.000) 5.306 15.536 ( 0.185 -13.807 0.000) 13.808 15.936 ( 5.150 -10.427 0.000) 11.630 16.346 ( 12.178 -1.785 0.000) 12.308 16.771 ( 15.886 -5.554 0.000) 16.829 17.401 ( 0.729 3.564 0.000) 3.638 17.577 ( 4.822 -0.679 0.000) 4.870 17.709 ( 10.505 -1.088 0.000) 10.562 19.164 ( -0.026 -0.381 0.000) 0.382 19.794 ( -0.500 0.095 0.000) 0.508 ======================= Grid point 28 (20/324) ======================= q-point: (-0.35 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 580 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.660 ( -28.257 10.588 0.000) 30.176 3.377 ( -30.973 3.947 0.000) 31.224 4.381 ( -19.280 -11.450 0.000) 22.424 4.992 ( 3.459 -3.002 0.000) 4.580 5.043 ( -11.376 -10.842 0.000) 15.715 5.589 ( -23.273 -11.300 0.000) 25.871 5.714 ( -11.698 5.847 0.000) 13.078 6.077 ( -0.339 4.750 0.000) 4.762 6.778 ( -7.560 11.029 0.000) 13.371 6.813 ( -8.553 -6.294 0.000) 10.619 7.765 ( -32.555 3.105 0.000) 32.703 8.352 ( -27.643 4.607 0.000) 28.025 9.648 ( 28.755 -0.903 0.000) 28.769 9.679 ( 15.530 4.822 0.000) 16.261 9.966 ( -25.224 1.403 0.000) 25.263 10.882 ( -15.620 -2.739 0.000) 15.858 12.369 ( -3.826 -2.699 0.000) 4.682 12.525 ( -19.744 -0.575 0.000) 19.752 14.088 ( 6.982 -5.094 0.000) 8.642 14.289 ( 8.318 -8.154 0.000) 11.648 14.756 ( 7.607 0.495 0.000) 7.623 15.627 ( -0.343 -16.467 0.000) 16.470 16.075 ( 1.539 -15.965 0.000) 16.039 16.546 ( 7.799 0.458 0.000) 7.813 17.064 ( 12.147 -0.085 0.000) 12.148 17.351 ( -3.567 4.650 0.000) 5.861 17.644 ( 2.903 -0.778 0.000) 3.006 17.981 ( 15.614 -3.827 0.000) 16.076 19.164 ( -0.177 -0.344 0.000) 0.387 19.786 ( -0.183 0.148 0.000) 0.235 ======================= Grid point 29 (21/324) ======================= q-point: (-0.29 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 580 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.062 ( -27.172 14.134 0.000) 30.628 2.745 ( -32.530 7.508 0.000) 33.385 4.099 ( -17.491 -10.064 0.000) 20.180 4.654 ( -38.427 -1.704 0.000) 38.464 5.083 ( 3.554 -4.700 0.000) 5.893 5.202 ( -35.283 2.268 0.000) 35.356 5.255 ( -13.347 -11.242 0.000) 17.450 5.980 ( -11.217 -2.039 0.000) 11.401 6.671 ( 1.938 11.700 0.000) 11.860 6.953 ( 14.658 -6.417 0.000) 16.001 7.092 ( -37.105 1.835 0.000) 37.150 7.905 ( -14.344 6.786 0.000) 15.869 9.442 ( -27.820 1.866 0.000) 27.882 9.884 ( 8.666 3.810 0.000) 9.467 10.192 ( 27.133 -0.682 0.000) 27.141 10.594 ( -16.499 -2.287 0.000) 16.657 12.102 ( -22.145 -0.085 0.000) 22.145 12.369 ( -0.896 -3.146 0.000) 3.271 14.291 ( 11.657 -3.286 0.000) 12.111 14.524 ( 10.905 -7.591 0.000) 13.287 14.903 ( 9.313 3.020 0.000) 9.791 15.713 ( -0.475 -14.201 0.000) 14.209 16.191 ( -0.223 -18.967 0.000) 18.968 16.604 ( -1.383 1.618 0.000) 2.129 17.200 ( 3.449 3.282 0.000) 4.761 17.216 ( -7.165 5.932 0.000) 9.301 17.700 ( 2.374 -0.882 0.000) 2.533 18.310 ( 16.022 -4.931 0.000) 16.763 19.161 ( -0.348 -0.240 0.000) 0.423 19.786 ( 0.207 0.146 0.000) 0.254 ======================= Grid point 30 (22/324) ======================= q-point: (-0.24 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 580 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.493 ( -23.094 17.247 0.000) 28.823 2.085 ( -31.454 11.700 0.000) 33.559 3.752 ( -52.320 8.654 0.000) 53.031 3.852 ( -14.117 -6.554 0.000) 15.565 4.488 ( -37.641 1.441 0.000) 37.669 5.126 ( -11.196 -7.608 0.000) 13.536 5.187 ( 3.619 -6.525 0.000) 7.462 5.687 ( -21.106 -10.823 0.000) 23.720 6.386 ( -36.770 0.175 0.000) 36.770 6.663 ( 4.530 13.292 0.000) 14.043 7.313 ( 17.417 -8.189 0.000) 19.247 7.773 ( 4.833 9.064 0.000) 10.272 8.917 ( -26.063 2.610 0.000) 26.193 9.950 ( 0.208 1.615 0.000) 1.628 10.306 ( -14.943 -0.837 0.000) 14.966 10.664 ( 22.510 -0.577 0.000) 22.517 11.689 ( -21.672 -1.500 0.000) 21.724 12.401 ( 2.612 -1.433 0.000) 2.979 14.553 ( 14.519 -1.492 0.000) 14.596 14.747 ( 8.066 -3.803 0.000) 8.917 15.085 ( 12.676 2.861 0.000) 12.995 15.765 ( -1.211 -6.407 0.000) 6.521 16.294 ( -1.255 -19.431 0.000) 19.471 16.483 ( -10.110 -0.692 0.000) 10.133 17.023 ( -9.192 7.210 0.000) 11.682 17.167 ( -3.800 5.192 0.000) 6.434 17.735 ( -0.130 -2.893 0.000) 2.896 18.613 ( 12.626 -4.716 0.000) 13.478 19.154 ( -0.437 -0.121 0.000) 0.454 19.792 ( 0.496 0.073 0.000) 0.501 ======================= Grid point 31 (23/324) ======================= q-point: (-0.18 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 580 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.002 ( -17.222 20.183 0.000) 26.532 1.439 ( -28.155 16.712 0.000) 32.741 2.658 ( -55.249 17.221 0.000) 57.871 3.650 ( -10.982 -2.868 0.000) 11.350 3.827 ( -30.137 2.521 0.000) 30.242 4.793 ( -25.416 0.326 0.000) 25.418 5.294 ( 3.022 -7.937 0.000) 8.493 5.492 ( -8.190 -18.380 0.000) 20.122 5.745 ( -31.970 -3.274 0.000) 32.137 6.672 ( 5.566 15.870 0.000) 16.818 7.659 ( 12.882 -9.435 0.000) 15.968 7.932 ( 18.763 14.291 0.000) 23.586 8.465 ( -19.494 3.243 0.000) 19.762 9.891 ( -5.259 -0.419 0.000) 5.276 10.055 ( -11.441 1.373 0.000) 11.523 11.030 ( 16.023 -0.449 0.000) 16.030 11.331 ( -17.801 -3.617 0.000) 18.164 12.471 ( 4.030 0.204 0.000) 4.035 14.842 ( 15.449 -0.327 0.000) 15.453 14.856 ( 3.503 1.741 0.000) 3.912 15.346 ( 15.103 -0.999 0.000) 15.136 15.714 ( -5.087 5.687 0.000) 7.630 16.303 ( -9.867 -7.217 0.000) 12.225 16.362 ( -3.656 -16.488 0.000) 16.889 16.788 ( -10.956 7.523 0.000) 13.290 17.024 ( -7.104 5.147 0.000) 8.772 17.717 ( -6.003 -8.365 0.000) 10.296 18.824 ( 6.355 -5.415 0.000) 8.349 19.147 ( -0.397 -0.020 0.000) 0.398 19.802 ( 0.580 -0.029 0.000) 0.581 ======================= Grid point 32 (24/324) ======================= q-point: (-0.12 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 580 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.609 ( -10.622 23.821 0.000) 26.082 0.842 ( -22.471 23.309 0.000) 32.377 1.514 ( -50.712 28.909 0.000) 58.373 3.316 ( -18.196 2.660 0.000) 18.389 3.535 ( -5.356 0.382 0.000) 5.370 4.330 ( -20.118 0.833 0.000) 20.135 5.243 ( -25.012 -8.179 0.000) 26.315 5.389 ( 1.879 -7.833 0.000) 8.055 5.532 ( -0.049 -16.211 0.000) 16.211 6.673 ( 4.930 17.068 0.000) 17.765 7.863 ( 2.150 -7.063 0.000) 7.383 8.197 ( -5.921 1.502 0.000) 6.109 8.341 ( 45.264 33.627 0.000) 56.388 9.797 ( -4.149 -0.712 0.000) 4.210 9.866 ( -7.377 2.453 0.000) 7.775 11.073 ( -13.798 -7.175 0.000) 15.552 11.262 ( 8.325 -0.331 0.000) 8.332 12.537 ( 3.205 1.185 0.000) 3.417 14.880 ( 1.404 3.963 0.000) 4.205 15.118 ( 13.540 0.787 0.000) 13.563 15.530 ( -8.207 8.535 0.000) 11.841 15.621 ( 9.860 -6.353 0.000) 11.729 16.213 ( -4.849 -5.069 0.000) 7.015 16.319 ( -9.325 -8.226 0.000) 12.434 16.554 ( -8.636 4.339 0.000) 9.665 16.892 ( -3.867 0.813 0.000) 3.951 17.548 ( -26.588 -23.741 0.000) 35.645 18.900 ( -3.091 -7.805 0.000) 8.395 19.141 ( -0.237 0.035 0.000) 0.239 19.812 ( 0.398 -0.092 0.000) 0.409 ======================= Grid point 33 (25/324) ======================= q-point: (-0.06 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.338 ( -0.000 28.085 0.000) 28.085 0.388 ( -0.000 32.074 0.000) 32.074 0.628 ( -0.000 52.054 0.000) 52.054 3.122 ( -0.000 2.487 0.000) 2.487 3.482 ( -0.000 0.687 0.000) 0.687 4.122 ( -0.000 0.237 0.000) 0.237 4.930 ( 0.000 -1.318 0.000) 1.318 5.450 ( 0.000 -5.867 0.000) 5.867 5.662 ( 0.000 -16.609 0.000) 16.609 6.637 ( -0.000 14.878 0.000) 14.878 7.874 ( 0.000 -1.834 0.000) 1.834 8.179 ( 0.000 -2.101 0.000) 2.101 9.646 ( 0.000 -6.770 0.000) 6.770 9.756 ( 0.000 -0.074 0.000) 0.074 9.769 ( 0.000 -0.074 0.000) 0.074 10.740 ( 0.000 -0.161 0.000) 0.161 11.342 ( 0.000 -0.224 0.000) 0.224 12.579 ( -0.000 0.368 0.000) 0.368 14.878 ( -0.000 4.507 0.000) 4.507 15.271 ( -0.000 4.327 0.000) 4.327 15.387 ( -0.000 1.753 0.000) 1.753 15.485 ( -0.000 1.927 0.000) 1.927 16.164 ( -0.000 0.808 0.000) 0.808 16.225 ( -0.000 0.426 0.000) 0.426 16.462 ( -0.000 0.111 0.000) 0.111 16.833 ( 0.000 -2.778 0.000) 2.778 16.882 ( -0.000 0.390 0.000) 0.390 18.818 ( 0.000 -0.152 0.000) 0.152 19.138 ( -0.000 0.038 0.000) 0.038 19.817 ( 0.000 -0.085 0.000) 0.085 ======================= Grid point 36 (26/324) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.768 ( 32.601 0.000 0.000) 32.601 2.593 ( 37.016 0.000 0.000) 37.016 4.298 ( 19.505 0.000 0.000) 19.505 4.641 ( 50.776 0.000 0.000) 50.776 5.162 ( 33.450 0.000 0.000) 33.450 5.183 ( -6.026 -0.000 0.000) 6.026 5.471 ( 10.680 0.000 0.000) 10.680 6.243 ( 1.071 0.000 0.000) 1.071 6.303 ( 6.053 0.000 0.000) 6.053 7.058 ( 33.179 0.000 0.000) 33.179 7.064 ( -17.266 -0.000 0.000) 17.266 7.718 ( 17.975 0.000 0.000) 17.975 9.406 ( 28.864 0.000 0.000) 28.864 9.813 ( -10.091 -0.000 0.000) 10.091 10.205 ( -27.217 -0.000 0.000) 27.217 10.635 ( 17.246 0.000 0.000) 17.246 12.096 ( 21.097 0.000 0.000) 21.097 12.439 ( 1.919 0.000 0.000) 1.919 14.363 ( -9.896 -0.000 0.000) 9.896 14.752 ( -2.934 -0.000 0.000) 2.934 14.770 ( -13.822 -0.000 0.000) 13.822 16.009 ( 7.799 0.000 0.000) 7.799 16.601 ( -3.379 -0.000 0.000) 3.379 16.811 ( -4.013 -0.000 0.000) 4.013 16.868 ( -1.563 -0.000 0.000) 1.563 17.054 ( 10.683 0.000 0.000) 10.683 17.746 ( -2.325 -0.000 0.000) 2.325 18.416 ( -16.538 -0.000 0.000) 16.538 19.164 ( 0.368 0.000 0.000) 0.368 19.783 ( -0.230 -0.000 0.000) 0.230 ======================= Grid point 37 (27/324) ======================= q-point: ( 0.18 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 580 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.404 ( 34.126 -2.067 0.000) 34.188 3.270 ( 34.433 -0.994 0.000) 34.448 4.657 ( 18.659 2.184 0.000) 18.786 5.080 ( -4.088 0.963 0.000) 4.200 5.372 ( 23.795 4.007 0.000) 24.130 5.569 ( 5.552 -1.331 0.000) 5.710 5.658 ( 10.231 -2.329 0.000) 10.492 6.239 ( -4.034 8.155 0.000) 9.098 6.420 ( 14.468 -7.798 0.000) 16.436 6.936 ( 7.976 0.800 0.000) 8.016 7.681 ( 32.445 -0.715 0.000) 32.453 8.204 ( 30.147 -1.564 0.000) 30.188 9.567 ( -15.673 -0.859 0.000) 15.696 9.670 ( -29.405 0.177 0.000) 29.406 9.932 ( 26.617 -0.267 0.000) 26.618 10.944 ( 15.525 0.463 0.000) 15.531 12.472 ( 11.440 2.496 0.000) 11.710 12.499 ( 11.607 -1.873 0.000) 11.757 14.216 ( -5.451 1.059 0.000) 5.552 14.535 ( -9.735 3.093 0.000) 10.215 14.697 ( -3.760 -1.550 0.000) 4.067 16.102 ( 3.258 5.403 0.000) 6.309 16.471 ( -10.554 -2.047 0.000) 10.751 16.619 ( -10.661 10.341 0.000) 14.852 16.845 ( -5.993 -8.159 0.000) 10.123 17.222 ( 6.455 -1.210 0.000) 6.568 17.703 ( -2.114 0.690 0.000) 2.224 18.090 ( -17.529 1.041 0.000) 17.560 19.169 ( 0.152 0.013 0.000) 0.153 19.783 ( 0.263 -0.022 0.000) 0.264 ======================= Grid point 38 (28/324) ======================= q-point: ( 0.24 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 580 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.043 ( 31.861 -2.355 0.000) 31.948 3.874 ( 28.919 -1.204 0.000) 28.944 4.896 ( 5.115 1.954 0.000) 5.476 5.074 ( 7.542 4.764 0.000) 8.920 5.450 ( -14.263 -5.147 0.000) 15.163 5.523 ( 3.332 10.559 0.000) 11.072 5.833 ( -0.396 -8.689 0.000) 8.698 6.101 ( -1.405 4.563 0.000) 4.775 6.893 ( 27.270 -2.955 0.000) 27.429 7.297 ( 25.742 1.293 0.000) 25.775 8.260 ( 28.534 -0.259 0.000) 28.536 8.759 ( 24.496 -2.673 0.000) 24.641 9.124 ( -28.085 0.270 0.000) 28.086 9.284 ( -12.783 -1.661 0.000) 12.890 10.387 ( 21.368 -0.287 0.000) 21.370 11.200 ( 11.984 0.826 0.000) 12.012 12.525 ( 2.172 2.029 0.000) 2.972 12.837 ( 16.374 -1.023 0.000) 16.406 14.146 ( -1.125 2.253 0.000) 2.518 14.375 ( -4.862 4.330 0.000) 6.511 14.633 ( -3.719 -0.965 0.000) 3.842 16.031 ( -6.112 12.083 0.000) 13.540 16.275 ( -11.475 -6.538 0.000) 13.206 16.306 ( -16.726 7.653 0.000) 18.394 16.732 ( -9.854 -4.615 0.000) 10.881 17.306 ( 1.974 -1.166 0.000) 2.292 17.658 ( -2.168 1.465 0.000) 2.616 17.769 ( -15.141 1.596 0.000) 15.225 19.170 ( -0.060 0.024 0.000) 0.065 19.792 ( 0.638 -0.008 0.000) 0.638 ======================= Grid point 39 (29/324) ======================= q-point: ( 0.29 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 580 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.588 ( 24.049 -1.441 0.000) 24.092 4.346 ( 20.158 -0.997 0.000) 20.183 4.918 ( 1.481 1.776 0.000) 2.312 5.095 ( -7.500 1.722 0.000) 7.695 5.342 ( 2.971 -3.081 0.000) 4.280 5.472 ( -2.094 8.999 0.000) 9.239 5.723 ( -9.695 -2.757 0.000) 10.079 6.191 ( 7.666 -1.642 0.000) 7.840 7.349 ( 18.618 -1.560 0.000) 18.683 7.741 ( 20.332 1.026 0.000) 20.358 8.647 ( -21.630 0.351 0.000) 21.633 8.723 ( 20.681 2.287 0.000) 20.807 8.878 ( -9.455 -2.266 0.000) 9.723 9.380 ( 17.586 -3.774 0.000) 17.986 10.721 ( 13.893 -0.232 0.000) 13.895 11.375 ( 7.158 0.828 0.000) 7.206 12.537 ( 0.286 1.724 0.000) 1.747 13.099 ( 10.747 -0.724 0.000) 10.772 14.134 ( 0.883 2.673 0.000) 2.815 14.297 ( -0.955 5.009 0.000) 5.099 14.579 ( -2.413 -1.063 0.000) 2.637 15.769 ( -12.612 9.284 0.000) 15.661 15.928 ( -18.342 5.237 0.000) 19.075 16.121 ( -9.448 -4.355 0.000) 10.403 16.546 ( -12.081 -3.596 0.000) 12.605 17.325 ( 0.042 -0.328 0.000) 0.331 17.501 ( -9.729 3.665 0.000) 10.396 17.630 ( -1.786 0.346 0.000) 1.819 19.167 ( -0.205 0.028 0.000) 0.207 19.805 ( 0.630 0.034 0.000) 0.631 ======================= Grid point 40 (30/324) ======================= q-point: ( 0.35 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 580 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.916 ( 9.499 -0.416 0.000) 9.508 4.615 ( 7.276 -0.562 0.000) 7.297 4.890 ( -5.438 -0.102 0.000) 5.439 5.024 ( 3.350 -0.321 0.000) 3.365 5.349 ( -6.149 3.155 0.000) 6.911 5.413 ( 2.122 0.290 0.000) 2.141 5.603 ( -3.531 0.487 0.000) 3.565 6.324 ( 4.399 -1.963 0.000) 4.817 7.592 ( 6.466 -1.215 0.000) 6.579 7.996 ( 6.618 0.299 0.000) 6.625 8.350 ( -8.861 0.296 0.000) 8.866 8.744 ( -3.198 -1.021 0.000) 3.357 8.989 ( 9.270 4.999 0.000) 10.532 9.671 ( 8.500 -4.622 0.000) 9.676 10.901 ( 5.039 -0.088 0.000) 5.040 11.454 ( 1.566 0.341 0.000) 1.602 12.520 ( -1.022 0.877 0.000) 1.347 13.238 ( 3.648 -0.265 0.000) 3.658 14.116 ( -2.417 1.189 0.000) 2.694 14.250 ( -1.843 4.268 0.000) 4.649 14.560 ( -1.057 -2.164 0.000) 2.408 15.524 ( -7.029 6.945 0.000) 9.881 15.620 ( -9.462 4.021 0.000) 10.281 15.974 ( -8.674 -5.660 0.000) 10.358 16.350 ( -11.273 -6.216 0.000) 12.873 17.330 ( 1.119 0.965 0.000) 1.477 17.358 ( -2.700 4.311 0.000) 5.087 17.603 ( -0.932 0.161 0.000) 0.946 19.163 ( -0.249 -0.025 0.000) 0.251 19.813 ( 0.254 0.062 0.000) 0.261 ======================= Grid point 41 (31/324) ======================= q-point: (-0.59 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 580 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.945 ( -5.884 0.575 0.000) 5.912 4.605 ( -8.351 -0.794 0.000) 8.389 4.815 ( -2.597 -1.950 0.000) 3.247 5.062 ( -3.006 -0.120 0.000) 3.009 5.240 ( -4.885 -1.261 0.000) 5.045 5.456 ( 5.434 2.129 0.000) 5.836 5.576 ( 0.613 0.257 0.000) 0.665 6.363 ( -1.058 -0.786 0.000) 1.318 7.612 ( -4.647 -0.538 0.000) 4.678 7.967 ( -9.909 -0.699 0.000) 9.934 8.338 ( 7.729 -0.104 0.000) 7.729 8.797 ( 8.648 0.786 0.000) 8.684 9.009 ( -3.396 6.020 0.000) 6.912 9.716 ( -6.540 -3.370 0.000) 7.357 10.908 ( -4.292 0.147 0.000) 4.295 11.430 ( -4.168 -0.486 0.000) 4.196 12.492 ( -1.647 0.031 0.000) 1.647 13.239 ( -3.655 -0.299 0.000) 3.667 14.023 ( -7.091 -1.974 0.000) 7.361 14.163 ( -5.588 0.961 0.000) 5.670 14.543 ( -1.929 -2.107 0.000) 2.856 15.424 ( -1.514 3.580 0.000) 3.887 15.577 ( 6.352 3.124 0.000) 7.079 15.912 ( -0.719 -7.776 0.000) 7.809 16.235 ( -5.336 -11.181 0.000) 12.389 17.350 ( 4.377 4.274 0.000) 6.118 17.361 ( 3.136 2.067 0.000) 3.756 17.593 ( -0.182 -0.217 0.000) 0.283 19.159 ( -0.199 -0.170 0.000) 0.262 19.813 ( -0.221 0.066 0.000) 0.231 ======================= Grid point 42 (32/324) ======================= q-point: (-0.53 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 580 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.714 ( -16.919 2.927 0.000) 17.170 4.350 ( -18.767 -1.458 0.000) 18.824 4.796 ( -3.778 -2.229 0.000) 4.387 4.908 ( -10.852 -4.832 0.000) 11.880 5.153 ( -6.349 -3.290 0.000) 7.151 5.605 ( 11.948 5.788 0.000) 13.276 5.610 ( 1.205 -4.048 0.000) 4.223 6.310 ( -3.727 1.655 0.000) 4.077 7.441 ( -12.485 1.746 0.000) 12.606 7.648 ( -24.424 -2.227 0.000) 24.525 8.619 ( 21.023 -0.618 0.000) 21.033 8.789 ( -15.171 5.433 0.000) 16.114 9.034 ( 14.663 2.937 0.000) 14.954 9.484 ( -17.870 -1.210 0.000) 17.911 10.742 ( -13.098 0.473 0.000) 13.107 11.308 ( -9.291 -1.440 0.000) 9.402 12.454 ( -2.742 -0.580 0.000) 2.802 13.109 ( -10.525 -0.812 0.000) 10.557 13.917 ( -5.231 -4.642 0.000) 6.994 14.061 ( -4.877 -3.338 0.000) 5.910 14.544 ( 1.582 -1.129 0.000) 1.944 15.385 ( -3.174 -4.973 0.000) 5.899 15.719 ( 6.630 -1.383 0.000) 6.772 16.054 ( 10.623 -5.403 0.000) 11.918 16.336 ( 9.169 -12.896 0.000) 15.823 17.413 ( 3.547 2.763 0.000) 4.496 17.456 ( 8.650 3.168 0.000) 9.212 17.604 ( 1.466 -0.525 0.000) 1.557 19.157 ( -0.115 -0.364 0.000) 0.381 19.805 ( -0.504 0.078 0.000) 0.510 ======================= Grid point 43 (33/324) ======================= q-point: (-0.47 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 580 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.304 ( -23.158 6.620 0.000) 24.085 3.941 ( -25.077 0.027 0.000) 25.077 4.557 ( -19.950 -8.936 0.000) 21.860 4.892 ( 2.142 -2.498 0.000) 3.290 5.044 ( -8.282 -6.502 0.000) 10.529 5.624 ( -6.206 -10.551 0.000) 12.241 5.797 ( 11.221 7.156 0.000) 13.309 6.225 ( -2.640 5.344 0.000) 5.960 7.129 ( -31.022 -4.952 0.000) 31.415 7.160 ( -13.580 6.506 0.000) 15.058 8.376 ( -25.502 4.091 0.000) 25.828 8.939 ( -25.453 2.438 0.000) 25.570 9.091 ( 27.862 -0.890 0.000) 27.876 9.442 ( 16.682 3.422 0.000) 17.029 10.421 ( -20.414 0.904 0.000) 20.434 11.106 ( -13.304 -2.389 0.000) 13.517 12.397 ( -3.785 -1.331 0.000) 4.012 12.859 ( -16.555 -1.141 0.000) 16.595 13.908 ( 1.175 -5.644 0.000) 5.765 14.056 ( 1.611 -6.323 0.000) 6.525 14.618 ( 5.509 -1.030 0.000) 5.604 15.379 ( -2.748 -12.303 0.000) 12.607 15.817 ( 1.199 -9.207 0.000) 9.284 16.318 ( 13.452 -2.747 0.000) 13.730 16.682 ( 18.203 -8.796 0.000) 20.217 17.444 ( 1.214 3.398 0.000) 3.608 17.580 ( 4.554 1.079 0.000) 4.680 17.698 ( 9.500 -0.765 0.000) 9.531 19.158 ( -0.092 -0.500 0.000) 0.509 19.795 ( -0.455 0.120 0.000) 0.470 ======================= Grid point 44 (34/324) ======================= q-point: (-0.41 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 580 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.790 ( -25.491 10.952 0.000) 27.744 3.424 ( -28.497 3.786 0.000) 28.748 4.240 ( -19.848 -11.744 0.000) 23.062 4.919 ( -11.047 -9.545 0.000) 14.599 4.956 ( 2.666 -3.018 0.000) 4.027 5.438 ( -21.718 -13.358 0.000) 25.497 5.790 ( -13.766 6.817 0.000) 15.361 6.149 ( -2.546 6.583 0.000) 7.059 6.725 ( -9.395 -8.215 0.000) 12.480 6.914 ( -5.616 11.543 0.000) 12.837 7.800 ( -33.504 2.562 0.000) 33.601 8.401 ( -27.007 3.542 0.000) 27.238 9.637 ( 28.776 -0.927 0.000) 28.791 9.739 ( 15.767 5.123 0.000) 16.578 9.983 ( -24.828 1.455 0.000) 24.871 10.847 ( -15.812 -3.037 0.000) 16.101 12.340 ( -3.027 -1.975 0.000) 3.614 12.513 ( -20.894 -1.411 0.000) 20.942 14.027 ( 7.959 -4.955 0.000) 9.375 14.194 ( 8.254 -7.603 0.000) 11.222 14.757 ( 8.572 -0.396 0.000) 8.581 15.431 ( -0.718 -15.825 0.000) 15.842 15.892 ( -0.538 -14.285 0.000) 14.296 16.546 ( 9.040 -0.326 0.000) 9.046 17.034 ( 13.278 -4.704 0.000) 14.086 17.405 ( -3.010 4.254 0.000) 5.211 17.647 ( 3.915 1.297 0.000) 4.124 17.936 ( 13.972 -3.558 0.000) 14.418 19.159 ( -0.176 -0.500 0.000) 0.530 19.788 ( -0.155 0.168 0.000) 0.229 ======================= Grid point 45 (35/324) ======================= q-point: (-0.35 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 580 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.240 ( -24.360 15.294 0.000) 28.764 2.844 ( -28.951 9.031 0.000) 30.327 3.969 ( -16.397 -11.383 0.000) 19.961 4.615 ( -31.400 -4.897 0.000) 31.780 5.023 ( 1.464 -5.183 0.000) 5.386 5.110 ( -15.273 -12.753 0.000) 19.897 5.235 ( -35.919 3.228 0.000) 36.064 5.985 ( -13.723 2.718 0.000) 13.989 6.818 ( 1.984 12.645 0.000) 12.799 6.863 ( 13.119 -8.489 0.000) 15.626 7.114 ( -37.379 1.747 0.000) 37.420 7.977 ( -13.523 5.038 0.000) 14.431 9.466 ( -27.189 2.200 0.000) 27.278 9.936 ( 7.834 4.637 0.000) 9.103 10.183 ( 27.119 -0.852 0.000) 27.133 10.562 ( -16.179 -2.920 0.000) 16.440 12.096 ( -23.170 -0.993 0.000) 23.191 12.333 ( 0.136 -2.672 0.000) 2.676 14.252 ( 13.015 -3.129 0.000) 13.386 14.434 ( 11.982 -7.189 0.000) 13.973 14.934 ( 10.602 1.918 0.000) 10.774 15.535 ( 1.596 -15.248 0.000) 15.331 15.972 ( -0.915 -17.216 0.000) 17.240 16.629 ( -0.220 2.400 0.000) 2.410 17.207 ( 3.245 -2.101 0.000) 3.865 17.283 ( -6.780 5.100 0.000) 8.485 17.703 ( 2.374 1.384 0.000) 2.748 18.249 ( 15.833 -5.199 0.000) 16.664 19.157 ( -0.300 -0.376 0.000) 0.481 19.788 ( 0.190 0.169 0.000) 0.254 ======================= Grid point 46 (36/324) ======================= q-point: (-0.29 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 580 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.715 ( -20.266 19.283 0.000) 27.974 2.247 ( -26.749 15.226 0.000) 30.779 3.763 ( -12.040 -8.237 0.000) 14.588 3.849 ( -46.071 7.035 0.000) 46.605 4.508 ( -37.156 1.865 0.000) 37.203 5.006 ( -7.453 -12.075 0.000) 14.190 5.102 ( 1.663 -7.472 0.000) 7.655 5.594 ( -26.431 -4.445 0.000) 26.802 6.376 ( -38.477 -1.390 0.000) 38.502 6.838 ( 6.509 15.471 0.000) 16.785 7.199 ( 15.158 -10.748 0.000) 18.582 7.872 ( 5.807 7.009 0.000) 9.102 8.952 ( -25.305 3.157 0.000) 25.501 9.973 ( -1.362 2.175 0.000) 2.566 10.292 ( -13.836 -1.524 0.000) 13.920 10.656 ( 22.543 -0.735 0.000) 22.555 11.667 ( -22.997 -2.187 0.000) 23.101 12.385 ( 3.848 -1.219 0.000) 4.037 14.537 ( 15.799 -1.015 0.000) 15.832 14.696 ( 11.286 -4.402 0.000) 12.114 15.127 ( 12.042 3.903 0.000) 12.658 15.664 ( 3.750 -10.107 0.000) 10.780 16.067 ( -0.316 -18.134 0.000) 18.137 16.503 ( -10.606 3.802 0.000) 11.267 17.101 ( -9.099 5.747 0.000) 10.762 17.199 ( -4.267 0.115 0.000) 4.269 17.706 ( -2.347 -1.625 0.000) 2.855 18.555 ( 12.812 -4.796 0.000) 13.681 19.153 ( -0.371 -0.202 0.000) 0.422 19.793 ( 0.436 0.095 0.000) 0.446 ======================= Grid point 47 (37/324) ======================= q-point: (-0.24 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 580 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.263 ( -14.372 22.721 0.000) 26.885 1.672 ( -22.599 21.723 0.000) 31.347 2.884 ( -47.163 19.634 0.000) 51.087 3.610 ( -8.584 -3.788 0.000) 9.383 3.859 ( -29.360 2.888 0.000) 29.502 4.794 ( -22.966 -0.486 0.000) 22.971 5.183 ( 1.293 -10.275 0.000) 10.356 5.262 ( -11.138 -19.126 0.000) 22.133 5.701 ( -34.355 -3.811 0.000) 34.566 6.876 ( 7.631 17.657 0.000) 19.235 7.524 ( 11.258 -12.857 0.000) 17.090 8.085 ( 22.390 10.449 0.000) 24.708 8.509 ( -18.931 4.074 0.000) 19.364 9.886 ( -6.215 -0.423 0.000) 6.229 10.068 ( -10.413 0.637 0.000) 10.433 11.024 ( 16.054 -0.602 0.000) 16.065 11.283 ( -19.636 -4.198 0.000) 20.079 12.475 ( 4.989 0.427 0.000) 5.007 14.843 ( 16.538 0.712 0.000) 16.554 14.877 ( 6.887 1.707 0.000) 7.095 15.346 ( 12.955 1.274 0.000) 13.018 15.768 ( 2.945 2.161 0.000) 3.653 16.170 ( 0.132 -15.325 0.000) 15.326 16.245 ( -13.449 -1.537 0.000) 13.536 16.870 ( -11.693 6.165 0.000) 13.219 17.065 ( -8.828 1.524 0.000) 8.958 17.617 ( -11.059 -7.710 0.000) 13.481 18.764 ( 6.224 -4.432 0.000) 7.640 19.146 ( -0.338 -0.047 0.000) 0.341 19.802 ( 0.512 -0.025 0.000) 0.512 ======================= Grid point 48 (38/324) ======================= q-point: (-0.18 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 580 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.909 ( -7.774 25.667 0.000) 26.819 1.149 ( -17.236 27.122 0.000) 32.136 1.909 ( -36.839 35.607 0.000) 51.234 3.357 ( -16.604 3.997 0.000) 17.078 3.538 ( -4.895 -0.021 0.000) 4.895 4.339 ( -20.649 0.476 0.000) 20.654 5.160 ( -24.579 -6.143 0.000) 25.335 5.271 ( 0.909 -11.617 0.000) 11.653 5.300 ( -1.827 -20.858 0.000) 20.938 6.896 ( 5.888 19.168 0.000) 20.052 7.746 ( 3.825 -12.140 0.000) 12.728 8.227 ( -8.035 3.333 0.000) 8.699 8.633 ( 47.477 14.968 0.000) 49.781 9.787 ( -4.010 -0.973 0.000) 4.127 9.891 ( -7.812 1.369 0.000) 7.931 10.986 ( -16.324 -6.789 0.000) 17.680 11.257 ( 8.340 -0.492 0.000) 8.354 12.552 ( 3.622 1.375 0.000) 3.875 14.946 ( 3.910 6.907 0.000) 7.937 15.137 ( 15.521 2.434 0.000) 15.711 15.558 ( 6.590 -3.464 0.000) 7.445 15.655 ( -9.464 11.995 0.000) 15.279 16.146 ( -0.057 -5.994 0.000) 5.994 16.229 ( -1.430 -6.581 0.000) 6.735 16.608 ( -11.697 4.472 0.000) 12.523 16.894 ( -7.674 -0.768 0.000) 7.712 17.318 ( -30.251 -14.332 0.000) 33.474 18.836 ( -0.903 -3.539 0.000) 3.653 19.141 ( -0.206 0.048 0.000) 0.211 19.811 ( 0.358 -0.124 0.000) 0.378 ======================= Grid point 49 (39/324) ======================= q-point: (-0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.672 ( -0.000 27.594 0.000) 27.594 0.766 ( -0.000 30.937 0.000) 30.937 1.244 ( -0.000 50.578 0.000) 50.578 3.165 ( -0.000 4.522 0.000) 4.522 3.492 ( -0.000 0.869 0.000) 0.869 4.125 ( -0.000 0.148 0.000) 0.148 4.908 ( 0.000 -2.332 0.000) 2.332 5.349 ( 0.000 -10.723 0.000) 10.723 5.424 ( 0.000 -21.788 0.000) 21.788 6.845 ( -0.000 18.697 0.000) 18.697 7.823 ( 0.000 -7.156 0.000) 7.156 8.160 ( 0.000 -0.445 0.000) 0.445 9.531 ( 0.000 -12.291 0.000) 12.291 9.755 ( 0.000 -0.150 0.000) 0.150 9.763 ( 0.000 -0.816 0.000) 0.816 10.737 ( 0.000 -0.296 0.000) 0.296 11.338 ( 0.000 -0.408 0.000) 0.408 12.586 ( -0.000 0.848 0.000) 0.848 14.956 ( -0.000 8.338 0.000) 8.338 15.345 ( -0.000 8.009 0.000) 8.009 15.418 ( -0.000 3.347 0.000) 3.347 15.519 ( -0.000 3.682 0.000) 3.682 16.178 ( -0.000 1.436 0.000) 1.436 16.232 ( -0.000 0.709 0.000) 0.709 16.464 ( -0.000 0.148 0.000) 0.148 16.789 ( 0.000 -4.537 0.000) 4.537 16.884 ( 0.000 -0.069 0.000) 0.069 18.815 ( 0.000 -0.309 0.000) 0.309 19.139 ( -0.000 0.068 0.000) 0.068 19.815 ( 0.000 -0.146 0.000) 0.146 ======================= Grid point 54 (40/324) ======================= q-point: ( 0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.028 ( 32.370 0.000 0.000) 32.370 3.867 ( 29.095 0.000 0.000) 29.095 4.907 ( 3.964 0.000 0.000) 3.964 5.107 ( 9.726 0.000 0.000) 9.726 5.416 ( -15.831 -0.000 0.000) 15.831 5.608 ( 3.226 0.000 0.000) 3.226 5.760 ( 0.667 0.000 0.000) 0.667 6.130 ( -3.955 -0.000 0.000) 3.955 6.875 ( 28.549 0.000 0.000) 28.549 7.304 ( 25.560 0.000 0.000) 25.560 8.259 ( 29.175 0.000 0.000) 29.175 8.742 ( 24.444 0.000 0.000) 24.444 9.125 ( -28.093 -0.000 0.000) 28.093 9.273 ( -12.788 -0.000 0.000) 12.788 10.385 ( 21.417 0.000 0.000) 21.417 11.205 ( 11.926 0.000 0.000) 11.926 12.538 ( 1.893 0.000 0.000) 1.893 12.830 ( 16.560 0.000 0.000) 16.560 14.159 ( -1.151 -0.000 0.000) 1.151 14.403 ( -5.072 -0.000 0.000) 5.072 14.626 ( -3.543 -0.000 0.000) 3.543 16.140 ( -1.625 -0.000 0.000) 1.625 16.200 ( -16.507 -0.000 0.000) 16.507 16.357 ( -18.847 -0.000 0.000) 18.847 16.699 ( -8.308 -0.000 0.000) 8.308 17.299 ( 2.325 0.000 0.000) 2.325 17.667 ( -1.955 -0.000 0.000) 1.955 17.779 ( -15.404 -0.000 0.000) 15.404 19.170 ( -0.062 -0.000 0.000) 0.062 19.792 ( 0.651 0.000 0.000) 0.651 ======================= Grid point 55 (41/324) ======================= q-point: ( 0.24 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 580 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.577 ( 24.764 -0.495 0.000) 24.769 4.337 ( 20.388 -0.413 0.000) 20.392 4.933 ( 2.150 0.663 0.000) 2.250 5.108 ( -14.119 0.490 0.000) 14.127 5.318 ( 8.360 -1.018 0.000) 8.421 5.577 ( -4.181 8.363 0.000) 9.350 5.668 ( -8.273 -6.245 0.000) 10.365 6.179 ( 6.773 -0.458 0.000) 6.789 7.336 ( 19.056 -0.595 0.000) 19.066 7.749 ( 19.958 0.349 0.000) 19.961 8.650 ( -21.655 0.123 0.000) 21.655 8.747 ( 22.328 1.235 0.000) 22.363 8.858 ( -8.820 -0.883 0.000) 8.864 9.345 ( 16.771 -1.626 0.000) 16.850 10.719 ( 13.967 -0.080 0.000) 13.967 11.382 ( 6.944 0.287 0.000) 6.950 12.551 ( -0.205 0.658 0.000) 0.690 13.093 ( 11.033 -0.304 0.000) 11.037 14.156 ( 0.363 0.927 0.000) 0.996 14.343 ( -1.090 2.241 0.000) 2.492 14.565 ( -3.015 -0.840 0.000) 3.130 15.865 ( -15.223 5.619 0.000) 16.227 15.976 ( -19.587 2.312 0.000) 19.723 16.064 ( -8.559 -3.969 0.000) 9.435 16.509 ( -12.416 -1.943 0.000) 12.567 17.323 ( 0.681 -0.036 0.000) 0.682 17.534 ( -9.836 1.474 0.000) 9.945 17.632 ( -1.696 0.112 0.000) 1.700 19.167 ( -0.219 0.003 0.000) 0.219 19.805 ( 0.646 0.015 0.000) 0.646 ======================= Grid point 56 (42/324) ======================= q-point: ( 0.29 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 580 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.912 ( 9.924 -0.218 0.000) 9.926 4.608 ( 7.485 -0.442 0.000) 7.498 4.886 ( -7.964 -0.432 0.000) 7.976 5.023 ( 5.752 0.099 0.000) 5.753 5.383 ( -9.999 2.362 0.000) 10.274 5.416 ( 2.333 0.255 0.000) 2.347 5.605 ( -1.969 -0.133 0.000) 1.973 6.304 ( 4.754 -1.266 0.000) 4.920 7.580 ( 6.672 -0.779 0.000) 6.718 7.999 ( 6.130 0.136 0.000) 6.131 8.353 ( -8.967 0.178 0.000) 8.969 8.734 ( -2.381 -0.581 0.000) 2.451 9.047 ( 10.593 4.101 0.000) 11.359 9.618 ( 8.458 -3.699 0.000) 9.231 10.900 ( 5.144 -0.045 0.000) 5.144 11.457 ( 1.177 0.177 0.000) 1.191 12.529 ( -1.556 0.540 0.000) 1.647 13.235 ( 3.833 -0.182 0.000) 3.838 14.127 ( -3.867 0.595 0.000) 3.913 14.299 ( -2.836 3.530 0.000) 4.528 14.531 ( -1.707 -2.350 0.000) 2.905 15.611 ( -6.982 6.987 0.000) 9.877 15.666 ( -9.618 3.213 0.000) 10.141 15.897 ( -11.285 -6.479 0.000) 13.012 16.279 ( -13.545 -4.851 0.000) 14.387 17.341 ( 1.773 0.739 0.000) 1.921 17.402 ( -2.729 2.731 0.000) 3.861 17.605 ( -1.141 0.081 0.000) 1.144 19.162 ( -0.302 -0.026 0.000) 0.303 19.814 ( 0.259 0.043 0.000) 0.263 ======================= Grid point 57 (43/324) ======================= q-point: ( 0.35 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 580 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.951 ( -5.073 0.393 0.000) 5.088 4.597 ( -8.851 -0.627 0.000) 8.873 4.795 ( -2.441 -1.295 0.000) 2.763 5.058 ( -5.526 -0.387 0.000) 5.539 5.229 ( -6.099 -0.721 0.000) 6.142 5.480 ( 7.623 1.708 0.000) 7.812 5.579 ( -0.739 0.320 0.000) 0.806 6.353 ( -0.142 -0.840 0.000) 0.852 7.605 ( -3.893 -0.450 0.000) 3.919 7.960 ( -10.495 -0.497 0.000) 10.507 8.337 ( 7.432 -0.047 0.000) 7.432 8.805 ( 9.722 0.467 0.000) 9.733 9.083 ( -3.372 5.895 0.000) 6.791 9.670 ( -5.709 -3.896 0.000) 6.912 10.909 ( -4.149 0.103 0.000) 4.150 11.425 ( -4.620 -0.327 0.000) 4.631 12.494 ( -1.921 0.158 0.000) 1.927 13.235 ( -3.930 -0.284 0.000) 3.940 14.003 ( -8.694 -1.352 0.000) 8.799 14.178 ( -8.108 1.290 0.000) 8.210 14.519 ( -0.874 -1.792 0.000) 1.994 15.481 ( -5.254 5.800 0.000) 7.826 15.624 ( 6.540 4.560 0.000) 7.973 15.811 ( 0.002 -8.774 0.000) 8.774 16.101 ( -8.836 -10.627 0.000) 13.821 17.384 ( 3.502 1.617 0.000) 3.857 17.397 ( 3.940 3.353 0.000) 5.173 17.590 ( -0.380 -0.178 0.000) 0.420 19.157 ( -0.301 -0.138 0.000) 0.331 19.814 ( -0.218 0.060 0.000) 0.226 ======================= Grid point 58 (44/324) ======================= q-point: (-0.59 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 580 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.746 ( -15.231 2.315 0.000) 15.406 4.331 ( -18.907 -1.527 0.000) 18.969 4.775 ( -6.240 -1.256 0.000) 6.366 4.853 ( -10.708 -4.247 0.000) 11.519 5.123 ( -7.012 -1.880 0.000) 7.260 5.566 ( -2.075 -3.196 0.000) 3.811 5.667 ( 12.892 4.431 0.000) 13.632 6.326 ( -2.053 1.015 0.000) 2.290 7.461 ( -10.472 1.429 0.000) 10.569 7.623 ( -25.519 -1.773 0.000) 25.580 8.612 ( 20.807 -0.475 0.000) 20.812 8.857 ( -15.974 5.513 0.000) 16.899 9.064 ( 15.771 2.040 0.000) 15.902 9.462 ( -16.853 -2.257 0.000) 17.004 10.747 ( -12.901 0.371 0.000) 12.907 11.293 ( -9.766 -1.073 0.000) 9.824 12.451 ( -2.751 0.028 0.000) 2.751 13.097 ( -11.046 -1.019 0.000) 11.092 13.868 ( -6.029 -3.475 0.000) 6.959 14.027 ( -6.847 -2.290 0.000) 7.219 14.535 ( 2.147 -0.467 0.000) 2.197 15.336 ( -8.112 -3.157 0.000) 8.704 15.715 ( 1.791 0.813 0.000) 1.967 15.992 ( 12.788 -4.790 0.000) 13.655 16.179 ( 11.259 -12.721 0.000) 16.988 17.444 ( 3.717 2.221 0.000) 4.330 17.495 ( 7.812 3.050 0.000) 8.387 17.598 ( 1.324 -0.483 0.000) 1.409 19.153 ( -0.232 -0.330 0.000) 0.404 19.806 ( -0.486 0.080 0.000) 0.492 ======================= Grid point 59 (45/324) ======================= q-point: (-0.53 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 580 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.378 ( -20.881 5.631 0.000) 21.627 3.936 ( -23.636 -0.715 0.000) 23.647 4.458 ( -22.153 -7.390 0.000) 23.354 4.864 ( 2.384 -2.139 0.000) 3.203 4.982 ( -9.547 -3.817 0.000) 10.282 5.505 ( -9.704 -9.137 0.000) 13.329 5.877 ( 11.771 6.079 0.000) 13.248 6.281 ( -0.938 4.006 0.000) 4.115 7.071 ( -33.546 -4.659 0.000) 33.868 7.234 ( -10.244 5.713 0.000) 11.729 8.423 ( -26.847 3.631 0.000) 27.091 8.962 ( -25.446 1.362 0.000) 25.482 9.081 ( 27.788 -0.776 0.000) 27.799 9.479 ( 18.543 2.613 0.000) 18.727 10.431 ( -20.137 0.780 0.000) 20.152 11.079 ( -13.781 -2.001 0.000) 13.926 12.388 ( -3.878 -0.188 0.000) 3.882 12.841 ( -16.980 -1.770 0.000) 17.072 13.846 ( 1.388 -4.542 0.000) 4.749 13.987 ( 0.643 -5.041 0.000) 5.082 14.608 ( 5.426 -0.602 0.000) 5.459 15.245 ( -5.437 -9.785 0.000) 11.194 15.718 ( -2.156 -7.295 0.000) 7.607 16.284 ( 14.809 -2.700 0.000) 15.053 16.572 ( 20.437 -9.014 0.000) 22.336 17.481 ( 1.439 2.765 0.000) 3.117 17.598 ( 4.151 1.655 0.000) 4.469 17.691 ( 8.763 -0.500 0.000) 8.777 19.152 ( -0.165 -0.514 0.000) 0.540 19.797 ( -0.423 0.119 0.000) 0.440 ======================= Grid point 60 (46/324) ======================= q-point: (-0.47 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 580 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.917 ( -22.920 9.906 0.000) 24.969 3.467 ( -25.341 3.314 0.000) 25.556 4.106 ( -20.520 -10.494 0.000) 23.048 4.819 ( -11.602 -6.861 0.000) 13.479 4.921 ( 1.851 -2.820 0.000) 3.373 5.278 ( -21.604 -13.127 0.000) 25.279 5.878 ( -15.297 7.915 0.000) 17.223 6.226 ( -2.847 6.123 0.000) 6.753 6.617 ( -10.606 -9.829 0.000) 14.460 7.051 ( -3.324 10.952 0.000) 11.445 7.825 ( -34.801 1.688 0.000) 34.842 8.437 ( -26.777 2.337 0.000) 26.879 9.626 ( 28.949 -0.829 0.000) 28.961 9.799 ( 16.245 4.690 0.000) 16.909 10.000 ( -24.583 1.309 0.000) 24.618 10.811 ( -16.141 -2.927 0.000) 16.404 12.323 ( -2.960 -0.955 0.000) 3.110 12.491 ( -21.390 -2.079 0.000) 21.491 13.972 ( 9.050 -4.112 0.000) 9.940 14.109 ( 8.355 -6.365 0.000) 10.503 14.747 ( 8.772 -1.196 0.000) 8.853 15.253 ( -1.314 -13.693 0.000) 13.756 15.738 ( -1.676 -11.248 0.000) 11.372 16.540 ( 10.615 -0.649 0.000) 10.635 16.962 ( 14.230 -6.871 0.000) 15.802 17.452 ( -2.738 3.466 0.000) 4.417 17.672 ( 5.150 2.626 0.000) 5.780 17.896 ( 12.074 -3.230 0.000) 12.498 19.152 ( -0.167 -0.574 0.000) 0.598 19.790 ( -0.136 0.163 0.000) 0.212 ======================= Grid point 61 (47/324) ======================= q-point: (-0.41 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 580 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.421 ( -21.730 14.571 0.000) 26.163 2.960 ( -24.276 10.096 0.000) 26.291 3.833 ( -15.419 -11.121 0.000) 19.011 4.543 ( -26.660 -6.720 0.000) 27.494 4.954 ( -16.209 -13.022 0.000) 20.792 4.961 ( -0.656 -5.131 0.000) 5.172 5.279 ( -36.739 4.116 0.000) 36.969 6.037 ( -15.400 5.451 0.000) 16.336 6.752 ( 11.758 -9.808 0.000) 15.312 6.965 ( -3.221 11.108 0.000) 11.566 7.138 ( -32.327 3.034 0.000) 32.469 8.023 ( -13.527 2.701 0.000) 13.794 9.493 ( -26.596 2.245 0.000) 26.691 9.994 ( 7.087 4.957 0.000) 8.648 10.172 ( 27.154 -0.928 0.000) 27.170 10.525 ( -16.017 -3.318 0.000) 16.357 12.076 ( -23.989 -2.241 0.000) 24.093 12.308 ( 0.956 -1.410 0.000) 1.704 14.218 ( 14.632 -2.388 0.000) 14.825 14.354 ( 13.207 -5.965 0.000) 14.492 14.946 ( 11.726 -0.140 0.000) 11.727 15.355 ( 2.987 -14.488 0.000) 14.793 15.787 ( -0.981 -13.361 0.000) 13.397 16.659 ( 1.966 2.551 0.000) 3.221 17.158 ( 3.189 -5.558 0.000) 6.408 17.338 ( -6.848 3.997 0.000) 7.929 17.731 ( 2.120 3.065 0.000) 3.727 18.187 ( 15.773 -4.984 0.000) 16.542 19.152 ( -0.224 -0.473 0.000) 0.523 19.790 ( 0.169 0.169 0.000) 0.239 ======================= Grid point 62 (48/324) ======================= q-point: (-0.35 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 580 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.946 ( -17.821 19.023 0.000) 26.067 2.447 ( -21.253 18.036 0.000) 27.874 3.659 ( -9.835 -8.936 0.000) 13.288 3.909 ( -39.394 2.580 0.000) 39.478 4.532 ( -36.550 2.000 0.000) 36.605 4.848 ( -6.138 -13.645 0.000) 14.962 5.013 ( -0.760 -7.197 0.000) 7.237 5.576 ( -30.016 1.065 0.000) 30.035 6.356 ( -39.812 -1.855 0.000) 39.855 7.027 ( 7.597 15.823 0.000) 17.552 7.060 ( 12.931 -12.217 0.000) 17.790 7.936 ( 5.816 3.581 0.000) 6.830 8.991 ( -24.592 3.255 0.000) 24.807 10.001 ( -3.365 2.538 0.000) 4.215 10.269 ( -12.743 -2.202 0.000) 12.932 10.647 ( 22.607 -0.807 0.000) 22.622 11.637 ( -23.963 -2.748 0.000) 24.120 12.374 ( 4.996 -0.666 0.000) 5.040 14.530 ( 17.502 -0.059 0.000) 17.502 14.647 ( 14.161 -3.597 0.000) 14.611 15.171 ( 12.884 3.131 0.000) 13.259 15.531 ( 7.159 -11.785 0.000) 13.789 15.867 ( 0.743 -14.853 0.000) 14.871 16.566 ( -8.977 6.305 0.000) 10.970 17.160 ( -9.416 4.017 0.000) 10.237 17.172 ( -4.349 -4.253 0.000) 6.082 17.699 ( -4.602 0.378 0.000) 4.617 18.500 ( 13.470 -4.356 0.000) 14.157 19.150 ( -0.270 -0.277 0.000) 0.386 19.794 ( 0.374 0.107 0.000) 0.389 ======================= Grid point 63 (49/324) ======================= q-point: (-0.29 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 580 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.537 ( -12.388 22.675 0.000) 25.838 1.951 ( -18.124 24.503 0.000) 30.478 3.111 ( -37.867 17.623 0.000) 41.767 3.559 ( -5.766 -4.834 0.000) 7.524 3.896 ( -28.670 3.168 0.000) 28.845 4.772 ( -15.848 -3.896 0.000) 16.320 5.053 ( -0.812 -11.134 0.000) 11.163 5.056 ( -19.717 -13.984 0.000) 24.173 5.656 ( -35.734 -3.692 0.000) 35.924 7.086 ( 8.566 17.079 0.000) 19.107 7.356 ( 9.577 -14.791 0.000) 17.621 8.174 ( 21.980 4.357 0.000) 22.408 8.560 ( -18.422 4.254 0.000) 18.907 9.881 ( -7.289 -0.407 0.000) 7.301 10.069 ( -10.003 -0.583 0.000) 10.020 11.016 ( 16.108 -0.678 0.000) 16.123 11.234 ( -20.804 -3.923 0.000) 21.171 12.481 ( 5.943 0.708 0.000) 5.985 14.860 ( 18.145 2.142 0.000) 18.271 14.898 ( 11.503 1.927 0.000) 11.664 15.378 ( 11.368 3.865 0.000) 12.007 15.751 ( 10.462 -4.699 0.000) 11.469 15.999 ( 4.219 -13.162 0.000) 13.822 16.277 ( -16.304 6.602 0.000) 17.590 16.933 ( -12.263 4.265 0.000) 12.984 17.058 ( -9.763 -2.710 0.000) 10.132 17.542 ( -14.142 -4.573 0.000) 14.863 18.717 ( 6.997 -3.395 0.000) 7.777 19.146 ( -0.252 -0.081 0.000) 0.265 19.802 ( 0.435 -0.009 0.000) 0.435 ======================= Grid point 64 (50/324) ======================= q-point: (-0.24 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 580 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.216 ( -6.425 25.262 0.000) 26.066 1.477 ( -15.539 27.072 0.000) 31.215 2.344 ( -24.762 36.199 0.000) 43.858 3.409 ( -14.128 4.503 0.000) 14.828 3.533 ( -4.909 -0.826 0.000) 4.978 4.340 ( -21.500 -0.208 0.000) 21.501 5.030 ( -4.052 -19.405 0.000) 19.824 5.114 ( -21.849 -6.015 0.000) 22.661 5.117 ( -0.348 -13.692 0.000) 13.696 7.120 ( 5.782 17.951 0.000) 18.859 7.579 ( 4.178 -15.453 0.000) 16.008 8.274 ( -8.946 4.283 0.000) 9.918 8.720 ( 37.992 0.523 0.000) 37.995 9.774 ( -4.098 -1.179 0.000) 4.264 9.894 ( -9.058 -0.745 0.000) 9.089 10.917 ( -15.835 -4.670 0.000) 16.509 11.251 ( 8.367 -0.579 0.000) 8.387 12.570 ( 3.904 1.578 0.000) 4.210 15.043 ( 7.779 9.205 0.000) 12.052 15.177 ( 17.639 4.217 0.000) 18.136 15.543 ( 6.898 0.836 0.000) 6.948 15.812 ( -10.646 13.894 0.000) 17.504 16.072 ( 4.416 -6.299 0.000) 7.692 16.159 ( 5.908 -5.328 0.000) 7.956 16.657 ( -13.905 3.576 0.000) 14.358 16.868 ( -11.480 -3.796 0.000) 12.091 17.194 ( -26.375 -6.810 0.000) 27.240 18.804 ( 1.000 -2.004 0.000) 2.240 19.142 ( -0.159 0.049 0.000) 0.167 19.809 ( 0.307 -0.123 0.000) 0.331 ======================= Grid point 65 (51/324) ======================= q-point: (-0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.998 ( -0.000 26.684 0.000) 26.684 1.127 ( -0.000 29.052 0.000) 29.052 1.836 ( -0.000 47.905 0.000) 47.905 3.227 ( -0.000 5.789 0.000) 5.789 3.499 ( -0.000 0.249 0.000) 0.249 4.123 ( 0.000 -0.518 0.000) 0.518 4.876 ( 0.000 -2.772 0.000) 2.772 5.158 ( 0.000 -22.013 0.000) 22.013 5.199 ( 0.000 -13.910 0.000) 13.910 7.069 ( -0.000 18.312 0.000) 18.312 7.699 ( 0.000 -13.218 0.000) 13.218 8.174 ( -0.000 2.655 0.000) 2.655 9.355 ( 0.000 -16.919 0.000) 16.919 9.750 ( 0.000 -1.345 0.000) 1.345 9.753 ( 0.000 -0.226 0.000) 0.226 10.733 ( 0.000 -0.387 0.000) 0.387 11.333 ( 0.000 -0.524 0.000) 0.524 12.600 ( -0.000 1.399 0.000) 1.399 15.073 ( -0.000 11.080 0.000) 11.080 15.458 ( -0.000 10.585 0.000) 10.585 15.466 ( -0.000 4.617 0.000) 4.617 15.572 ( -0.000 5.098 0.000) 5.098 16.197 ( -0.000 1.752 0.000) 1.752 16.241 ( -0.000 0.741 0.000) 0.741 16.465 ( -0.000 0.036 0.000) 0.036 16.725 ( 0.000 -6.154 0.000) 6.154 16.881 ( 0.000 -0.355 0.000) 0.355 18.811 ( 0.000 -0.463 0.000) 0.463 19.140 ( -0.000 0.087 0.000) 0.087 19.813 ( 0.000 -0.169 0.000) 0.169 ======================= Grid point 72 (52/324) ======================= q-point: ( 0.24 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.911 ( 10.066 0.000 0.000) 10.066 4.605 ( 7.577 0.000 0.000) 7.577 4.883 ( -8.685 -0.000 0.000) 8.685 5.024 ( 6.467 0.000 0.000) 6.467 5.399 ( -11.869 -0.000 0.000) 11.869 5.418 ( 2.376 0.000 0.000) 2.376 5.603 ( -0.907 -0.000 0.000) 0.907 6.296 ( 4.864 0.000 0.000) 4.864 7.575 ( 6.759 0.000 0.000) 6.759 8.000 ( 5.959 0.000 0.000) 5.959 8.354 ( -9.001 -0.000 0.000) 9.001 8.731 ( -2.093 -0.000 0.000) 2.093 9.074 ( 11.129 0.000 0.000) 11.129 9.594 ( 8.362 0.000 0.000) 8.362 10.900 ( 5.181 0.000 0.000) 5.181 11.458 ( 1.041 0.000 0.000) 1.041 12.532 ( -1.752 -0.000 0.000) 1.752 13.234 ( 3.910 0.000 0.000) 3.910 14.130 ( -4.375 -0.000 0.000) 4.375 14.323 ( -3.284 -0.000 0.000) 3.284 14.515 ( -1.827 -0.000 0.000) 1.827 15.664 ( -5.785 -0.000 0.000) 5.785 15.687 ( -9.583 -0.000 0.000) 9.583 15.847 ( -13.359 -0.000 0.000) 13.359 16.248 ( -14.388 -0.000 0.000) 14.388 17.346 ( 1.985 0.000 0.000) 1.985 17.419 ( -2.779 -0.000 0.000) 2.779 17.605 ( -1.221 -0.000 0.000) 1.221 19.162 ( -0.320 -0.000 0.000) 0.320 19.814 ( 0.262 0.000 0.000) 0.262 ======================= Grid point 73 (53/324) ======================= q-point: ( 0.29 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 580 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.954 ( -4.617 0.140 0.000) 4.619 4.591 ( -9.112 -0.237 0.000) 9.115 4.785 ( -2.272 -0.450 0.000) 2.316 5.054 ( -6.959 -0.190 0.000) 6.962 5.223 ( -6.813 -0.223 0.000) 6.816 5.495 ( 8.773 0.647 0.000) 8.797 5.582 ( -1.476 0.127 0.000) 1.482 6.345 ( 0.416 -0.349 0.000) 0.543 7.602 ( -3.420 -0.165 0.000) 3.424 7.956 ( -10.808 -0.180 0.000) 10.810 8.337 ( 7.261 -0.013 0.000) 7.261 8.809 ( 10.299 0.153 0.000) 10.301 9.137 ( -3.651 2.628 0.000) 4.498 9.633 ( -5.050 -1.891 0.000) 5.392 10.910 ( -4.070 0.037 0.000) 4.071 11.422 ( -4.857 -0.115 0.000) 4.859 12.495 ( -2.032 0.082 0.000) 2.034 13.233 ( -4.123 -0.116 0.000) 4.124 13.991 ( -9.531 -0.480 0.000) 9.543 14.190 ( -9.939 0.598 0.000) 9.957 14.503 ( 0.259 -0.721 0.000) 0.766 15.554 ( -11.775 5.328 0.000) 12.924 15.674 ( 8.536 2.986 0.000) 9.043 15.714 ( 4.951 -6.398 0.000) 8.090 15.999 ( -12.594 -5.220 0.000) 13.633 17.398 ( 3.632 0.604 0.000) 3.682 17.426 ( 3.624 1.249 0.000) 3.833 17.589 ( -0.501 -0.077 0.000) 0.507 19.156 ( -0.358 -0.053 0.000) 0.362 19.814 ( -0.217 0.024 0.000) 0.218 ======================= Grid point 74 (54/324) ======================= q-point: (-0.65 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 580 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.768 ( -14.092 1.287 0.000) 14.150 4.316 ( -19.133 -0.950 0.000) 19.157 4.768 ( -9.754 0.085 0.000) 9.754 4.809 ( -8.646 -3.111 0.000) 9.188 5.107 ( -7.139 -0.827 0.000) 7.187 5.536 ( -4.451 -1.779 0.000) 4.793 5.708 ( 13.420 2.407 0.000) 13.634 6.335 ( -0.872 0.484 0.000) 0.997 7.475 ( -9.046 0.829 0.000) 9.083 7.607 ( -26.292 -0.988 0.000) 26.311 8.608 ( 20.650 -0.259 0.000) 20.652 8.914 ( -17.372 3.672 0.000) 17.756 9.082 ( 16.771 0.974 0.000) 16.799 9.435 ( -15.771 -1.861 0.000) 15.881 10.750 ( -12.768 0.205 0.000) 12.770 11.283 ( -10.072 -0.569 0.000) 10.088 12.453 ( -2.598 0.202 0.000) 2.606 13.086 ( -11.539 -0.715 0.000) 11.562 13.836 ( -6.517 -1.853 0.000) 6.776 14.006 ( -8.248 -1.180 0.000) 8.332 14.532 ( 2.644 -0.053 0.000) 2.645 15.308 ( -11.907 -1.502 0.000) 12.001 15.736 ( -4.798 2.380 0.000) 5.356 15.945 ( 14.819 -2.797 0.000) 15.081 16.044 ( 16.070 -9.132 0.000) 18.483 17.465 ( 3.742 1.227 0.000) 3.937 17.525 ( 7.373 1.906 0.000) 7.615 17.592 ( 1.052 -0.403 0.000) 1.127 19.150 ( -0.318 -0.198 0.000) 0.374 19.807 ( -0.476 0.050 0.000) 0.478 ======================= Grid point 75 (55/324) ======================= q-point: (-0.59 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 580 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.436 ( -19.189 3.800 0.000) 19.561 3.926 ( -22.454 -0.836 0.000) 22.470 4.384 ( -23.735 -4.884 0.000) 24.232 4.842 ( 2.497 -1.489 0.000) 2.907 4.950 ( -10.123 -1.578 0.000) 10.245 5.410 ( -12.515 -6.456 0.000) 14.082 5.940 ( 12.689 4.207 0.000) 13.369 6.320 ( 0.270 2.501 0.000) 2.515 7.021 ( -36.043 -3.431 0.000) 36.206 7.293 ( -7.694 3.953 0.000) 8.650 8.460 ( -28.467 2.456 0.000) 28.573 8.973 ( -25.128 0.625 0.000) 25.136 9.073 ( 27.732 -0.530 0.000) 27.737 9.504 ( 20.027 1.594 0.000) 20.090 10.439 ( -19.926 0.529 0.000) 19.933 11.059 ( -14.178 -1.321 0.000) 14.240 12.391 ( -3.812 0.455 0.000) 3.839 12.820 ( -17.435 -1.687 0.000) 17.517 13.801 ( 1.619 -2.912 0.000) 3.332 13.937 ( -0.093 -3.282 0.000) 3.284 14.604 ( 5.025 -0.198 0.000) 5.029 15.148 ( -7.494 -6.333 0.000) 9.812 15.645 ( -4.519 -4.718 0.000) 6.533 16.256 ( 15.915 -1.912 0.000) 16.029 16.477 ( 22.250 -6.574 0.000) 23.201 17.509 ( 1.516 1.794 0.000) 2.349 17.616 ( 3.918 1.299 0.000) 4.127 17.686 ( 8.155 -0.273 0.000) 8.160 19.147 ( -0.227 -0.388 0.000) 0.450 19.798 ( -0.404 0.088 0.000) 0.414 ======================= Grid point 76 (56/324) ======================= q-point: (-0.53 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 580 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.023 ( -20.833 7.532 0.000) 22.153 3.502 ( -21.972 2.499 0.000) 22.113 3.994 ( -21.120 -7.874 0.000) 22.540 4.758 ( -12.132 -3.292 0.000) 12.570 4.890 ( 1.137 -2.265 0.000) 2.534 5.129 ( -22.655 -11.381 0.000) 25.353 5.980 ( -16.184 9.101 0.000) 18.567 6.291 ( -2.388 4.598 0.000) 5.181 6.492 ( -11.995 -10.901 0.000) 16.209 7.170 ( -1.150 8.664 0.000) 8.740 7.841 ( -35.990 0.911 0.000) 36.001 8.458 ( -26.943 1.314 0.000) 26.975 9.617 ( 29.179 -0.622 0.000) 29.185 9.849 ( 16.872 3.561 0.000) 17.243 10.014 ( -24.458 0.986 0.000) 24.478 10.779 ( -16.564 -2.337 0.000) 16.728 12.317 ( -3.310 0.076 0.000) 3.311 12.464 ( -21.488 -2.346 0.000) 21.615 13.930 ( 10.094 -2.830 0.000) 10.483 14.043 ( 8.610 -4.576 0.000) 9.750 14.729 ( 8.031 -1.606 0.000) 8.190 15.109 ( -1.949 -10.159 0.000) 10.344 15.626 ( -1.710 -7.384 0.000) 7.580 16.532 ( 12.065 -0.624 0.000) 12.081 16.880 ( 15.011 -6.289 0.000) 16.275 17.487 ( -2.636 2.437 0.000) 3.590 17.706 ( 6.546 3.014 0.000) 7.206 17.859 ( 10.037 -2.964 0.000) 10.465 19.146 ( -0.153 -0.509 0.000) 0.531 19.792 ( -0.126 0.129 0.000) 0.180 ======================= Grid point 77 (57/324) ======================= q-point: (-0.47 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 580 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.582 ( -19.492 12.081 0.000) 22.932 3.082 ( -18.846 10.019 0.000) 21.344 3.709 ( -14.652 -9.278 0.000) 17.342 4.464 ( -25.604 -6.019 0.000) 26.302 4.801 ( -15.669 -12.336 0.000) 19.942 4.903 ( -2.526 -4.477 0.000) 5.140 5.332 ( -37.864 4.547 0.000) 38.136 6.106 ( -15.954 5.806 0.000) 16.977 6.633 ( 10.954 -9.703 0.000) 14.633 7.052 ( -26.230 2.891 0.000) 26.389 7.213 ( -9.159 9.507 0.000) 13.201 8.042 ( -14.413 0.523 0.000) 14.423 9.519 ( -26.140 1.952 0.000) 26.213 10.052 ( 6.650 4.619 0.000) 8.097 10.161 ( 27.246 -0.858 0.000) 27.259 10.484 ( -16.144 -3.312 0.000) 16.481 12.045 ( -24.188 -2.847 0.000) 24.355 12.298 ( 1.133 -0.300 0.000) 1.172 14.195 ( 16.322 -1.370 0.000) 16.380 14.293 ( 14.616 -4.192 0.000) 15.206 14.928 ( 11.833 -2.638 0.000) 12.124 15.194 ( 3.802 -12.092 0.000) 12.676 15.658 ( -0.034 -8.049 0.000) 8.049 16.688 ( 4.362 2.189 0.000) 4.881 17.085 ( 3.281 -6.246 0.000) 7.055 17.379 ( -7.162 2.840 0.000) 7.705 17.771 ( 1.506 3.492 0.000) 3.803 18.131 ( 15.997 -4.417 0.000) 16.596 19.146 ( -0.133 -0.475 0.000) 0.493 19.792 ( 0.150 0.144 0.000) 0.208 ======================= Grid point 78 (58/324) ======================= q-point: (-0.41 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 580 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.163 ( -15.785 16.764 0.000) 23.026 2.674 ( -15.546 19.479 0.000) 24.922 3.554 ( -7.910 -8.366 0.000) 11.514 3.907 ( -33.953 -2.763 0.000) 34.065 4.553 ( -35.340 1.473 0.000) 35.371 4.690 ( -5.936 -12.347 0.000) 13.700 4.935 ( -3.910 -5.614 0.000) 6.842 5.610 ( -32.196 4.226 0.000) 32.472 6.332 ( -40.871 -2.115 0.000) 40.926 6.912 ( 11.113 -12.076 0.000) 16.411 7.214 ( 8.067 15.234 0.000) 17.239 7.957 ( 4.857 -0.130 0.000) 4.859 9.028 ( -24.026 2.900 0.000) 24.201 10.033 ( -5.701 2.663 0.000) 6.292 10.240 ( -11.629 -2.664 0.000) 11.930 10.638 ( 22.697 -0.768 0.000) 22.710 11.603 ( -24.322 -2.907 0.000) 24.495 12.369 ( 5.830 -0.094 0.000) 5.831 14.536 ( 19.448 1.041 0.000) 19.476 14.613 ( 16.933 -1.895 0.000) 17.039 15.191 ( 14.529 -0.292 0.000) 14.532 15.390 ( 9.341 -11.467 0.000) 14.790 15.721 ( 1.641 -9.053 0.000) 9.200 16.647 ( -6.224 6.801 0.000) 9.219 17.107 ( -4.425 -6.272 0.000) 7.676 17.198 ( -10.160 2.348 0.000) 10.428 17.711 ( -6.358 1.540 0.000) 6.542 18.451 ( 14.333 -3.646 0.000) 14.789 19.146 ( -0.145 -0.310 0.000) 0.342 19.795 ( 0.319 0.104 0.000) 0.336 ======================= Grid point 79 (59/324) ======================= q-point: (-0.35 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 580 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.799 ( -10.921 20.758 0.000) 23.456 2.251 ( -15.819 25.060 0.000) 29.635 3.291 ( -27.717 11.877 0.000) 30.155 3.496 ( -3.307 -5.548 0.000) 6.458 3.934 ( -27.906 3.196 0.000) 28.088 4.683 ( -4.611 -10.577 0.000) 11.538 4.922 ( -3.070 -10.559 0.000) 10.996 4.954 ( -33.075 -3.088 0.000) 33.219 5.615 ( -36.332 -3.133 0.000) 36.467 7.176 ( 8.144 -14.864 0.000) 16.949 7.282 ( 8.569 15.671 0.000) 17.861 8.190 ( 18.964 -1.527 0.000) 19.026 8.609 ( -18.035 3.868 0.000) 18.445 9.876 ( -8.390 -0.377 0.000) 8.398 10.056 ( -10.111 -1.529 0.000) 10.226 11.008 ( 16.184 -0.663 0.000) 16.198 11.191 ( -21.061 -3.157 0.000) 21.296 12.491 ( 6.768 0.927 0.000) 6.831 14.895 ( 20.008 3.550 0.000) 20.320 14.927 ( 16.285 2.886 0.000) 16.539 15.431 ( 11.411 4.566 0.000) 12.291 15.670 ( 13.955 -8.170 0.000) 16.170 15.856 ( 7.352 -10.379 0.000) 12.719 16.385 ( -15.306 10.547 0.000) 18.588 16.972 ( -12.813 2.072 0.000) 12.980 17.003 ( -10.389 -5.994 0.000) 11.994 17.508 ( -15.594 -1.308 0.000) 15.649 18.681 ( 7.931 -2.643 0.000) 8.360 19.145 ( -0.144 -0.108 0.000) 0.180 19.802 ( 0.364 0.009 0.000) 0.364 ======================= Grid point 80 (60/324) ======================= q-point: (-0.29 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 580 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.510 ( -5.642 23.561 0.000) 24.227 1.791 ( -15.845 25.004 0.000) 29.602 2.761 ( -14.241 32.621 0.000) 35.594 3.454 ( -7.531 2.101 0.000) 7.819 3.524 ( -9.135 0.284 0.000) 9.139 4.334 ( -23.055 -0.856 0.000) 23.071 4.798 ( -1.687 -18.148 0.000) 18.227 4.950 ( -1.741 -13.983 0.000) 14.091 5.062 ( -23.156 -3.349 0.000) 23.397 7.324 ( 5.460 16.010 0.000) 16.916 7.385 ( 3.925 -16.464 0.000) 16.925 8.326 ( -9.243 4.296 0.000) 10.193 8.668 ( 27.625 -8.505 0.000) 28.905 9.759 ( -4.312 -1.272 0.000) 4.496 9.877 ( -9.839 -1.903 0.000) 10.021 10.873 ( -14.281 -2.742 0.000) 14.542 11.243 ( 8.406 -0.585 0.000) 8.427 12.590 ( 4.224 1.757 0.000) 4.574 15.162 ( 12.141 10.353 0.000) 15.956 15.237 ( 19.480 5.669 0.000) 20.288 15.573 ( 7.550 3.825 0.000) 8.464 15.982 ( -3.413 12.965 0.000) 13.406 15.996 ( 0.279 -4.895 0.000) 4.903 16.097 ( 11.557 -4.971 0.000) 12.581 16.692 ( -15.356 2.020 0.000) 15.489 16.803 ( -14.380 -6.754 0.000) 15.887 17.144 ( -22.860 -2.013 0.000) 22.949 18.784 ( 2.172 -1.453 0.000) 2.613 19.142 ( -0.100 0.041 0.000) 0.108 19.808 ( 0.256 -0.099 0.000) 0.275 ======================= Grid point 81 (61/324) ======================= q-point: (-0.24 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.310 ( -0.000 25.156 0.000) 25.156 1.460 ( -0.000 26.392 0.000) 26.392 2.387 ( -0.000 43.644 0.000) 43.644 3.300 ( -0.000 6.165 0.000) 6.165 3.495 ( 0.000 -1.084 0.000) 1.084 4.110 ( 0.000 -1.797 0.000) 1.797 4.844 ( 0.000 -2.515 0.000) 2.515 4.905 ( 0.000 -19.797 0.000) 19.797 5.023 ( 0.000 -15.189 0.000) 15.189 7.280 ( -0.000 16.655 0.000) 16.655 7.519 ( 0.000 -16.259 0.000) 16.259 8.216 ( -0.000 3.965 0.000) 3.965 9.130 ( 0.000 -20.280 0.000) 20.280 9.732 ( 0.000 -1.601 0.000) 1.601 9.749 ( 0.000 -0.285 0.000) 0.285 10.728 ( 0.000 -0.421 0.000) 0.421 11.326 ( 0.000 -0.560 0.000) 0.560 12.620 ( -0.000 1.851 0.000) 1.851 15.217 ( -0.000 12.626 0.000) 12.626 15.527 ( -0.000 5.391 0.000) 5.391 15.594 ( -0.000 11.846 0.000) 11.846 15.640 ( -0.000 6.015 0.000) 6.015 16.218 ( -0.000 1.710 0.000) 1.710 16.249 ( -0.000 0.485 0.000) 0.485 16.464 ( 0.000 -0.288 0.000) 0.288 16.643 ( 0.000 -7.545 0.000) 7.545 16.876 ( 0.000 -0.436 0.000) 0.436 18.804 ( 0.000 -0.588 0.000) 0.588 19.141 ( -0.000 0.094 0.000) 0.094 19.811 ( 0.000 -0.155 0.000) 0.155 ======================= Grid point 90 (62/324) ======================= q-point: (-0.71 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.775 ( -13.688 -0.000 0.000) 13.688 4.310 ( -19.237 -0.000 0.000) 19.237 4.774 ( -20.621 -0.000 0.000) 20.621 4.783 ( 1.722 0.000 0.000) 1.722 5.102 ( -7.119 -0.000 0.000) 7.119 5.525 ( -5.324 -0.000 0.000) 5.324 5.723 ( 13.593 0.000 0.000) 13.593 6.337 ( -0.447 -0.000 0.000) 0.447 7.480 ( -8.533 -0.000 0.000) 8.533 7.601 ( -26.573 -0.000 0.000) 26.573 8.606 ( 20.593 0.000 0.000) 20.593 8.937 ( -18.222 -0.000 0.000) 18.222 9.087 ( 17.309 0.000 0.000) 17.309 9.423 ( -15.255 -0.000 0.000) 15.255 10.752 ( -12.721 -0.000 0.000) 12.721 11.279 ( -10.178 -0.000 0.000) 10.178 12.454 ( -2.508 -0.000 0.000) 2.508 13.082 ( -11.746 -0.000 0.000) 11.746 13.824 ( -6.680 -0.000 0.000) 6.680 13.999 ( -8.753 -0.000 0.000) 8.753 14.532 ( 2.839 0.000 0.000) 2.839 15.300 ( -13.359 -0.000 0.000) 13.359 15.756 ( -10.439 -0.000 0.000) 10.439 15.928 ( 15.665 0.000 0.000) 15.665 15.983 ( 21.092 0.000 0.000) 21.092 17.472 ( 3.736 0.000 0.000) 3.736 17.537 ( 7.389 0.000 0.000) 7.389 17.589 ( 0.780 0.000 0.000) 0.780 19.149 ( -0.350 -0.000 0.000) 0.350 19.807 ( -0.473 -0.000 0.000) 0.473 ======================= Grid point 92 (63/324) ======================= q-point: (-0.65 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 580 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.467 ( -18.288 1.345 0.000) 18.338 3.918 ( -21.801 -0.359 0.000) 21.804 4.344 ( -24.561 -1.709 0.000) 24.621 4.830 ( 2.540 -0.539 0.000) 2.596 4.940 ( -10.137 -0.325 0.000) 10.142 5.356 ( -14.249 -2.391 0.000) 14.448 5.975 ( 13.461 1.525 0.000) 13.547 6.341 ( 0.904 0.853 0.000) 1.243 6.992 ( -37.696 -1.280 0.000) 37.717 7.326 ( -6.316 1.416 0.000) 6.472 8.480 ( -29.569 0.862 0.000) 29.582 8.978 ( -24.805 0.175 0.000) 24.805 9.068 ( 27.703 -0.188 0.000) 27.703 9.517 ( 20.838 0.529 0.000) 20.845 10.444 ( -19.813 0.187 0.000) 19.814 11.048 ( -14.404 -0.460 0.000) 14.411 12.396 ( -3.685 0.296 0.000) 3.697 12.804 ( -17.768 -0.712 0.000) 17.783 13.777 ( 1.771 -0.999 0.000) 2.033 13.910 ( -0.489 -1.144 0.000) 1.244 14.603 ( 4.655 -0.024 0.000) 4.655 15.096 ( -8.610 -2.196 0.000) 8.886 15.607 ( -5.706 -1.636 0.000) 5.936 16.240 ( 16.528 -0.685 0.000) 16.542 16.422 ( 23.281 -2.395 0.000) 23.403 17.523 ( 1.532 0.621 0.000) 1.653 17.627 ( 3.894 0.476 0.000) 3.923 17.684 ( 7.732 -0.083 0.000) 7.733 19.143 ( -0.263 -0.145 0.000) 0.300 19.799 ( -0.396 0.032 0.000) 0.397 ======================= Grid point 93 (64/324) ======================= q-point: (-0.59 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 580 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.093 ( -19.470 4.076 0.000) 19.892 3.526 ( -19.303 1.344 0.000) 19.349 3.921 ( -21.515 -4.215 0.000) 21.924 4.738 ( -11.619 -0.238 0.000) 11.621 4.868 ( 0.639 -1.284 0.000) 1.434 5.013 ( -24.733 -7.500 0.000) 25.845 6.096 ( -16.565 10.210 0.000) 19.459 6.334 ( -1.872 2.461 0.000) 3.092 6.358 ( -13.130 -11.293 0.000) 17.318 7.252 ( 0.335 4.772 0.000) 4.784 7.848 ( -36.679 0.397 0.000) 36.681 8.469 ( -27.290 0.559 0.000) 27.296 9.611 ( 29.364 -0.333 0.000) 29.366 9.882 ( 17.424 1.913 0.000) 17.529 10.023 ( -24.408 0.529 0.000) 24.413 10.757 ( -16.945 -1.303 0.000) 16.995 12.322 ( -3.467 0.590 0.000) 3.517 12.438 ( -21.685 -1.802 0.000) 21.760 13.905 ( 10.872 -1.405 0.000) 10.963 14.001 ( 8.893 -2.392 0.000) 9.209 14.712 ( 6.909 -1.185 0.000) 7.010 15.014 ( -2.446 -5.438 0.000) 5.962 15.561 ( -1.131 -3.514 0.000) 3.692 16.526 ( 13.061 -0.369 0.000) 13.067 16.819 ( 15.528 -3.679 0.000) 15.958 17.510 ( -2.611 1.257 0.000) 2.898 17.742 ( 8.477 2.757 0.000) 8.914 17.825 ( 7.638 -2.622 0.000) 8.075 19.141 ( -0.141 -0.300 0.000) 0.332 19.793 ( -0.122 0.071 0.000) 0.142 ======================= Grid point 94 (65/324) ======================= q-point: (-0.53 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 580 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.704 ( -17.836 8.018 0.000) 19.556 3.191 ( -13.508 7.814 0.000) 15.605 3.615 ( -14.123 -6.120 0.000) 15.392 4.407 ( -28.246 -3.245 0.000) 28.432 4.665 ( -13.427 -10.049 0.000) 16.772 4.856 ( -3.939 -3.123 0.000) 5.027 5.384 ( -39.257 3.874 0.000) 39.448 6.168 ( -15.774 4.301 0.000) 16.350 6.528 ( 10.911 -7.483 0.000) 13.231 7.062 ( -36.476 -0.274 0.000) 36.477 7.332 ( 1.790 9.137 0.000) 9.311 8.039 ( -16.036 -0.800 0.000) 16.056 9.539 ( -25.863 1.335 0.000) 25.897 10.101 ( 6.730 3.471 0.000) 7.573 10.152 ( 27.367 -0.615 0.000) 27.374 10.448 ( -16.670 -2.655 0.000) 16.880 12.013 ( -24.165 -2.291 0.000) 24.273 12.298 ( 1.071 0.142 0.000) 1.081 14.185 ( 17.816 -0.500 0.000) 17.823 14.254 ( 16.025 -2.312 0.000) 16.191 14.889 ( 10.826 -3.502 0.000) 11.378 15.071 ( 4.134 -8.148 0.000) 9.137 15.591 ( 1.664 -3.449 0.000) 3.830 16.710 ( 6.334 1.460 0.000) 6.500 17.017 ( 3.397 -4.714 0.000) 5.810 17.406 ( -7.523 1.694 0.000) 7.711 17.811 ( 0.450 2.927 0.000) 2.962 18.083 ( 16.719 -3.369 0.000) 17.055 19.141 ( -0.051 -0.354 0.000) 0.358 19.793 ( 0.135 0.096 0.000) 0.165 ======================= Grid point 95 (66/324) ======================= q-point: (-0.47 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 580 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.341 ( -14.181 12.614 0.000) 18.979 2.906 ( -9.753 18.665 0.000) 21.059 3.464 ( -6.495 -6.455 0.000) 9.157 3.848 ( -31.621 -6.803 0.000) 32.344 4.559 ( -5.571 -9.431 0.000) 10.954 4.564 ( -32.774 0.236 0.000) 32.775 4.883 ( -8.309 -3.013 0.000) 8.839 5.668 ( -33.347 4.894 0.000) 33.704 6.307 ( -41.470 -2.067 0.000) 41.521 6.778 ( 9.916 -9.912 0.000) 14.020 7.388 ( 8.364 13.657 0.000) 16.015 7.935 ( 3.037 -3.369 0.000) 4.536 9.059 ( -23.640 2.163 0.000) 23.739 10.065 ( -8.309 2.591 0.000) 8.704 10.207 ( -10.238 -2.788 0.000) 10.611 10.629 ( 22.793 -0.605 0.000) 22.801 11.570 ( -24.173 -2.455 0.000) 24.298 12.370 ( 6.314 0.224 0.000) 6.318 14.554 ( 21.413 1.792 0.000) 21.487 14.602 ( 19.586 -0.134 0.000) 19.586 15.161 ( 15.445 -4.294 0.000) 16.031 15.263 ( 10.542 -9.411 0.000) 14.132 15.653 ( 2.930 -2.674 0.000) 3.967 16.723 ( -3.210 5.708 0.000) 6.549 17.032 ( -4.605 -5.806 0.000) 7.411 17.217 ( -11.299 1.009 0.000) 11.344 17.731 ( -7.544 1.624 0.000) 7.717 18.413 ( 15.165 -2.689 0.000) 15.402 19.143 ( -0.022 -0.272 0.000) 0.273 19.797 ( 0.277 0.082 0.000) 0.289 ======================= Grid point 96 (67/324) ======================= q-point: (-0.41 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 580 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.027 ( -9.754 16.996 0.000) 19.596 2.544 ( -16.139 23.559 0.000) 28.557 3.387 ( -17.506 3.889 0.000) 17.932 3.430 ( -1.544 -5.277 0.000) 5.498 3.970 ( -27.118 2.723 0.000) 27.254 4.550 ( -2.008 -10.420 0.000) 10.612 4.805 ( -5.294 -8.711 0.000) 10.194 4.956 ( -37.681 2.315 0.000) 37.753 5.581 ( -36.304 -2.415 0.000) 36.384 7.008 ( 7.145 -12.847 0.000) 14.701 7.462 ( 8.107 14.224 0.000) 16.372 8.142 ( 14.892 -6.211 0.000) 16.135 8.651 ( -17.775 3.051 0.000) 18.035 9.872 ( -9.388 -0.313 0.000) 9.393 10.035 ( -10.325 -1.757 0.000) 10.474 11.001 ( 16.269 -0.557 0.000) 16.279 11.158 ( -20.690 -2.244 0.000) 20.812 12.503 ( 7.402 0.951 0.000) 7.462 14.944 ( 21.883 4.552 0.000) 22.352 14.968 ( 20.402 4.015 0.000) 20.793 15.472 ( 14.121 1.402 0.000) 14.190 15.567 ( 15.733 -8.632 0.000) 17.945 15.758 ( 7.842 -5.411 0.000) 9.528 16.516 ( -13.058 10.895 0.000) 17.006 16.924 ( -10.903 -6.819 0.000) 12.859 16.983 ( -13.574 -0.196 0.000) 13.575 17.504 ( -16.182 0.364 0.000) 16.186 18.654 ( 8.741 -1.999 0.000) 8.966 19.143 ( -0.031 -0.113 0.000) 0.117 19.802 ( 0.305 0.020 0.000) 0.306 ======================= Grid point 97 (68/324) ======================= q-point: (-0.35 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 580 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.775 ( -5.063 20.426 0.000) 21.044 2.071 ( -17.146 21.433 0.000) 27.447 3.111 ( -4.657 25.109 0.000) 25.537 3.445 ( -0.236 -2.863 0.000) 2.873 3.553 ( -14.525 3.691 0.000) 14.986 4.323 ( -25.928 -0.840 0.000) 25.941 4.606 ( -0.660 -13.493 0.000) 13.509 4.788 ( -3.134 -12.655 0.000) 13.037 5.030 ( -22.507 -2.081 0.000) 22.603 7.193 ( 3.582 -15.107 0.000) 15.526 7.504 ( 5.094 14.180 0.000) 15.067 8.374 ( -9.323 3.661 0.000) 10.015 8.531 ( 18.814 -13.700 0.000) 23.273 9.744 ( -4.591 -1.196 0.000) 4.744 9.853 ( -9.588 -1.861 0.000) 9.767 10.848 ( -12.967 -1.527 0.000) 13.057 11.237 ( 8.454 -0.514 0.000) 8.469 12.611 ( 4.561 1.732 0.000) 4.879 15.287 ( 16.370 10.352 0.000) 19.368 15.311 ( 20.804 6.551 0.000) 21.811 15.628 ( 7.538 4.991 0.000) 9.040 15.918 ( 13.429 -6.440 0.000) 14.893 16.039 ( 15.785 -4.714 0.000) 16.474 16.155 ( -13.736 13.969 0.000) 19.591 16.704 ( -16.204 -0.044 0.000) 16.204 16.713 ( -15.654 -7.867 0.000) 17.520 17.135 ( -21.486 0.107 0.000) 21.486 18.768 ( 2.930 -1.159 0.000) 3.151 19.143 ( -0.035 0.029 0.000) 0.045 19.807 ( 0.212 -0.065 0.000) 0.222 ======================= Grid point 98 (69/324) ======================= q-point: (-0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.598 ( -0.000 22.633 0.000) 22.633 1.756 ( -0.000 22.845 0.000) 22.845 2.874 ( -0.000 37.124 0.000) 37.124 3.372 ( -0.000 5.700 0.000) 5.700 3.473 ( 0.000 -2.561 0.000) 2.561 4.079 ( 0.000 -3.304 0.000) 3.304 4.691 ( 0.000 -15.629 0.000) 15.629 4.818 ( 0.000 -1.735 0.000) 1.735 4.842 ( 0.000 -14.640 0.000) 14.640 7.321 ( 0.000 -16.271 0.000) 16.271 7.468 ( -0.000 14.740 0.000) 14.740 8.264 ( -0.000 3.911 0.000) 3.911 8.875 ( 0.000 -22.014 0.000) 22.014 9.713 ( 0.000 -1.600 0.000) 1.600 9.746 ( 0.000 -0.308 0.000) 0.308 10.723 ( 0.000 -0.398 0.000) 0.398 11.319 ( 0.000 -0.520 0.000) 0.520 12.643 ( -0.000 2.027 0.000) 2.027 15.372 ( -0.000 13.035 0.000) 13.035 15.593 ( -0.000 5.509 0.000) 5.509 15.714 ( -0.000 6.282 0.000) 6.282 15.737 ( -0.000 11.776 0.000) 11.776 16.237 ( -0.000 1.365 0.000) 1.365 16.252 ( -0.000 0.002 0.000) 0.002 16.457 ( 0.000 -0.837 0.000) 0.837 16.546 ( 0.000 -8.542 0.000) 8.542 16.871 ( 0.000 -0.380 0.000) 0.380 18.797 ( 0.000 -0.644 0.000) 0.644 19.142 ( -0.000 0.087 0.000) 0.087 19.810 ( 0.000 -0.119 0.000) 0.119 ======================= Grid point 109 (70/324) ======================= q-point: (-0.65 0.35 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.118 ( -18.995 -0.000 0.000) 18.995 3.534 ( -18.280 -0.000 0.000) 18.280 3.895 ( -21.651 -0.000 0.000) 21.651 4.740 ( -10.599 -0.000 0.000) 10.599 4.860 ( 0.459 0.000 0.000) 0.459 4.965 ( -26.392 -0.000 0.000) 26.392 6.220 ( -43.048 -0.000 0.000) 43.048 6.227 ( 12.821 0.000 0.000) 12.821 6.349 ( -1.661 -0.000 0.000) 1.661 7.281 ( 0.834 0.000 0.000) 0.834 7.851 ( -36.861 -0.000 0.000) 36.861 8.472 ( -27.467 -0.000 0.000) 27.467 9.609 ( 29.435 0.000 0.000) 29.435 9.894 ( 17.648 0.000 0.000) 17.648 10.026 ( -24.395 -0.000 0.000) 24.395 10.749 ( -17.101 -0.000 0.000) 17.101 12.327 ( -3.266 -0.000 0.000) 3.266 12.426 ( -22.024 -0.000 0.000) 22.024 13.897 ( 11.165 0.000 0.000) 11.165 13.987 ( 9.019 0.000 0.000) 9.019 14.704 ( 6.377 0.000 0.000) 6.377 14.981 ( -2.637 -0.000 0.000) 2.637 15.540 ( -0.800 -0.000 0.000) 0.800 16.524 ( 13.414 0.000 0.000) 13.414 16.796 ( 15.708 0.000 0.000) 15.708 17.517 ( -2.609 -0.000 0.000) 2.609 17.764 ( 11.323 0.000 0.000) 11.323 17.803 ( 4.622 0.000 0.000) 4.622 19.139 ( -0.136 -0.000 0.000) 0.136 19.794 ( -0.121 -0.000 0.000) 0.121 ======================= Grid point 111 (71/324) ======================= q-point: (-0.59 0.35 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 580 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.770 ( -16.948 2.813 0.000) 17.180 3.259 ( -9.894 3.030 0.000) 10.348 3.565 ( -13.847 -2.130 0.000) 14.009 4.386 ( -33.366 -0.495 0.000) 33.369 4.574 ( -9.380 -4.428 0.000) 10.372 4.830 ( -4.711 -1.131 0.000) 4.845 5.418 ( -40.399 1.589 0.000) 40.431 6.205 ( -15.468 1.583 0.000) 15.549 6.464 ( 11.290 -2.887 0.000) 11.653 7.057 ( -38.688 -0.312 0.000) 38.689 7.412 ( 4.930 3.638 0.000) 6.127 8.029 ( -17.606 -0.597 0.000) 17.616 9.550 ( -25.743 0.475 0.000) 25.747 10.131 ( 7.169 1.348 0.000) 7.294 10.147 ( 27.456 -0.225 0.000) 27.456 10.425 ( -17.354 -1.074 0.000) 17.387 11.993 ( -24.166 -0.866 0.000) 24.182 12.300 ( 1.043 0.100 0.000) 1.047 14.182 ( 18.737 -0.078 0.000) 18.737 14.237 ( 16.975 -0.703 0.000) 16.990 14.856 ( 9.825 -1.593 0.000) 9.953 15.004 ( 4.179 -2.901 0.000) 5.087 15.567 ( 2.929 -0.838 0.000) 3.046 16.722 ( 7.437 0.511 0.000) 7.454 16.977 ( 3.461 -1.742 0.000) 3.875 17.419 ( -7.755 0.563 0.000) 7.775 17.837 ( -0.788 1.242 0.000) 1.471 18.054 ( 17.769 -1.377 0.000) 17.822 19.138 ( -0.003 -0.131 0.000) 0.131 19.794 ( 0.126 0.034 0.000) 0.131 ======================= Grid point 112 (72/324) ======================= q-point: (-0.53 0.35 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 580 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.459 ( -13.122 6.805 0.000) 14.781 3.105 ( -3.205 13.645 0.000) 14.017 3.403 ( -5.642 -3.484 0.000) 6.631 3.758 ( -33.644 -7.349 0.000) 34.438 4.469 ( -4.973 -5.233 0.000) 7.219 4.561 ( -29.619 -0.517 0.000) 29.623 4.861 ( -12.867 -0.847 0.000) 12.895 5.718 ( -33.728 3.234 0.000) 33.883 6.285 ( -41.722 -1.379 0.000) 41.745 6.683 ( 9.332 -5.665 0.000) 10.917 7.534 ( 9.597 10.073 0.000) 13.913 7.882 ( 0.252 -4.861 0.000) 4.868 9.079 ( -23.424 1.152 0.000) 23.453 10.094 ( -11.516 2.251 0.000) 11.734 10.175 ( -7.912 -2.430 0.000) 8.277 10.623 ( 22.868 -0.335 0.000) 22.871 11.546 ( -23.858 -1.407 0.000) 23.899 12.373 ( 6.540 0.218 0.000) 6.544 14.575 ( 23.067 1.529 0.000) 23.118 14.606 ( 21.772 0.666 0.000) 21.782 15.106 ( 15.197 -4.112 0.000) 15.743 15.171 ( 10.909 -5.528 0.000) 12.230 15.641 ( 4.412 0.096 0.000) 4.413 16.778 ( -0.722 3.299 0.000) 3.377 16.975 ( -4.802 -3.445 0.000) 5.910 17.224 ( -12.510 0.237 0.000) 12.512 17.747 ( -8.253 0.993 0.000) 8.313 18.388 ( 15.778 -1.450 0.000) 15.845 19.140 ( 0.068 -0.160 0.000) 0.174 19.797 ( 0.251 0.045 0.000) 0.255 ======================= Grid point 113 (73/324) ======================= q-point: (-0.47 0.35 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 580 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.199 ( -8.859 11.289 0.000) 14.350 2.807 ( -19.819 19.827 0.000) 28.034 3.374 ( -0.473 -3.744 0.000) 3.773 3.387 ( -7.600 -3.485 0.000) 8.361 3.997 ( -26.405 1.743 0.000) 26.462 4.445 ( -1.730 -6.847 0.000) 7.062 4.718 ( -7.263 -5.762 0.000) 9.271 4.993 ( -38.864 3.461 0.000) 39.017 5.557 ( -35.923 -1.636 0.000) 35.961 6.877 ( 6.610 -8.776 0.000) 10.987 7.625 ( 7.754 13.048 0.000) 15.178 8.047 ( 10.940 -9.349 0.000) 14.391 8.681 ( -17.624 1.942 0.000) 17.731 9.869 ( -10.151 -0.206 0.000) 10.153 10.016 ( -10.399 -1.313 0.000) 10.481 10.995 ( 16.344 -0.371 0.000) 16.348 11.137 ( -20.152 -1.335 0.000) 20.196 12.513 ( 7.823 0.716 0.000) 7.855 15.000 ( 23.626 4.532 0.000) 24.057 15.019 ( 23.488 4.271 0.000) 23.873 15.456 ( 18.013 -3.484 0.000) 18.347 15.471 ( 16.593 -7.163 0.000) 18.074 15.732 ( 6.437 0.340 0.000) 6.446 16.637 ( -10.503 9.033 0.000) 13.853 16.849 ( -11.343 -5.293 0.000) 12.518 16.968 ( -14.908 -2.042 0.000) 15.047 17.511 ( -16.435 0.683 0.000) 16.449 18.634 ( 9.329 -1.284 0.000) 9.417 19.142 ( 0.065 -0.087 0.000) 0.109 19.802 ( 0.265 0.019 0.000) 0.265 ======================= Grid point 114 (74/324) ======================= q-point: (-0.41 0.35 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 580 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.992 ( -4.570 15.432 0.000) 16.094 2.298 ( -18.896 16.227 0.000) 24.907 3.350 ( 3.639 14.604 0.000) 15.051 3.405 ( 0.902 -3.353 0.000) 3.472 3.596 ( -14.361 3.193 0.000) 14.712 4.311 ( -28.415 -1.649 0.000) 28.462 4.487 ( -0.295 -5.678 0.000) 5.685 4.652 ( -4.401 -9.849 0.000) 10.788 5.011 ( -21.843 -1.139 0.000) 21.873 7.032 ( 3.361 -11.549 0.000) 12.029 7.667 ( 4.756 13.013 0.000) 13.855 8.352 ( 12.210 -15.767 0.000) 19.942 8.412 ( -9.338 2.625 0.000) 9.700 9.732 ( -4.862 -0.930 0.000) 4.950 9.834 ( -8.888 -1.293 0.000) 8.982 10.834 ( -12.147 -0.827 0.000) 12.175 11.231 ( 8.499 -0.380 0.000) 8.508 12.630 ( 4.848 1.401 0.000) 5.046 15.391 ( 21.474 6.604 0.000) 22.466 15.406 ( 20.048 9.307 0.000) 22.103 15.683 ( 7.417 3.769 0.000) 8.320 15.842 ( 16.467 -6.164 0.000) 17.583 15.988 ( 18.514 -3.588 0.000) 18.859 16.315 ( -14.339 12.535 0.000) 19.046 16.621 ( -16.313 -7.167 0.000) 17.818 16.689 ( -16.609 -2.485 0.000) 16.794 17.141 ( -21.294 0.669 0.000) 21.305 18.756 ( 3.436 -0.858 0.000) 3.542 19.143 ( 0.026 0.016 0.000) 0.030 19.806 ( 0.178 -0.034 0.000) 0.182 ======================= Grid point 115 (75/324) ======================= q-point: (-0.35 0.35 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.847 ( -0.000 18.568 0.000) 18.568 2.003 ( -0.000 18.159 0.000) 18.159 3.265 ( -0.000 27.499 0.000) 27.499 3.434 ( -0.000 4.552 0.000) 4.552 3.437 ( 0.000 -3.284 0.000) 3.284 4.033 ( 0.000 -4.226 0.000) 4.226 4.538 ( 0.000 -9.585 0.000) 9.585 4.678 ( 0.000 -12.464 0.000) 12.464 4.803 ( 0.000 -0.872 0.000) 0.872 7.139 ( 0.000 -13.718 0.000) 13.718 7.635 ( -0.000 13.217 0.000) 13.217 8.307 ( -0.000 3.140 0.000) 3.140 8.610 ( 0.000 -21.864 0.000) 21.864 9.695 ( 0.000 -1.356 0.000) 1.356 9.742 ( 0.000 -0.279 0.000) 0.279 10.719 ( 0.000 -0.324 0.000) 0.324 11.314 ( 0.000 -0.417 0.000) 0.417 12.667 ( -0.000 1.831 0.000) 1.831 15.525 ( -0.000 12.304 0.000) 12.304 15.656 ( -0.000 4.847 0.000) 4.847 15.787 ( -0.000 5.740 0.000) 5.740 15.871 ( -0.000 10.411 0.000) 10.411 16.249 ( 0.000 -0.524 0.000) 0.524 16.250 ( -0.000 0.867 0.000) 0.867 16.440 ( 0.000 -8.871 0.000) 8.871 16.444 ( 0.000 -1.482 0.000) 1.482 16.867 ( 0.000 -0.260 0.000) 0.260 18.789 ( 0.000 -0.594 0.000) 0.594 19.143 ( -0.000 0.071 0.000) 0.071 19.809 ( 0.000 -0.076 0.000) 0.076 ======================= Grid point 128 (76/324) ======================= q-point: (-0.59 0.41 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.500 ( -12.749 -0.000 0.000) 12.749 3.197 ( 1.654 0.000 0.000) 1.654 3.382 ( -5.355 -0.000 0.000) 5.355 3.705 ( -37.106 -0.000 0.000) 37.106 4.437 ( -4.676 -0.000 0.000) 4.676 4.557 ( -28.253 -0.000 0.000) 28.253 4.857 ( -14.777 -0.000 0.000) 14.777 5.739 ( -33.776 -0.000 0.000) 33.776 6.277 ( -41.791 -0.000 0.000) 41.791 6.648 ( 9.177 0.000 0.000) 9.177 7.603 ( 11.642 0.000 0.000) 11.642 7.844 ( -2.437 -0.000 0.000) 2.437 9.086 ( -23.356 -0.000 0.000) 23.356 10.111 ( -15.189 -0.000 0.000) 15.189 10.156 ( -4.558 -0.000 0.000) 4.558 10.621 ( 22.897 0.000 0.000) 22.897 11.538 ( -23.709 -0.000 0.000) 23.709 12.375 ( 6.604 0.000 0.000) 6.604 14.585 ( 23.778 0.000 0.000) 23.778 14.611 ( 22.704 0.000 0.000) 22.704 15.079 ( 14.899 0.000 0.000) 14.899 15.137 ( 10.896 0.000 0.000) 10.896 15.643 ( 5.014 0.000 0.000) 5.014 16.799 ( 0.289 0.000 0.000) 0.289 16.954 ( -4.890 -0.000 0.000) 4.890 17.225 ( -13.071 -0.000 0.000) 13.071 17.754 ( -8.497 -0.000 0.000) 8.497 18.379 ( 16.008 0.000 0.000) 16.008 19.139 ( 0.102 0.000 0.000) 0.102 19.798 ( 0.242 0.000 0.000) 0.242 ======================= Grid point 130 (77/324) ======================= q-point: (-0.53 0.41 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 580 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.291 ( -8.351 3.971 0.000) 9.246 3.000 ( -29.400 10.625 0.000) 31.261 3.324 ( 4.682 -5.248 0.000) 7.033 3.343 ( 0.031 -1.331 0.000) 1.331 4.011 ( -25.935 0.573 0.000) 25.941 4.390 ( -1.593 -2.379 0.000) 2.863 4.670 ( -8.521 -2.015 0.000) 8.756 5.026 ( -39.010 1.606 0.000) 39.044 5.543 ( -35.579 -0.615 0.000) 35.585 6.804 ( 6.415 -3.126 0.000) 7.136 7.774 ( 8.643 11.561 0.000) 14.434 7.925 ( 7.445 -10.548 0.000) 12.911 8.697 ( -17.557 0.666 0.000) 17.570 9.867 ( -10.568 -0.072 0.000) 10.568 10.005 ( -10.374 -0.478 0.000) 10.385 10.992 ( 16.388 -0.130 0.000) 16.388 11.126 ( -19.798 -0.443 0.000) 19.803 12.519 ( 8.031 0.266 0.000) 8.035 15.043 ( 24.991 2.203 0.000) 25.088 15.061 ( 25.340 2.137 0.000) 25.430 15.406 ( 16.612 -3.101 0.000) 16.899 15.414 ( 19.427 -2.390 0.000) 19.573 15.744 ( 6.216 0.867 0.000) 6.276 16.721 ( -7.717 4.169 0.000) 8.772 16.804 ( -11.650 -2.005 0.000) 11.821 16.942 ( -17.042 -1.750 0.000) 17.132 17.518 ( -16.539 0.299 0.000) 16.542 18.623 ( 9.641 -0.447 0.000) 9.651 19.141 ( 0.121 -0.033 0.000) 0.125 19.802 ( 0.244 0.008 0.000) 0.244 ======================= Grid point 131 (78/324) ======================= q-point: (-0.47 0.41 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 580 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.137 ( -4.194 8.406 0.000) 9.394 2.452 ( -20.561 8.998 0.000) 22.444 3.371 ( 1.276 -2.024 0.000) 2.392 3.466 ( 8.939 5.369 0.000) 10.428 3.626 ( -13.988 1.726 0.000) 14.094 4.279 ( -23.727 -2.879 0.000) 23.901 4.468 ( -5.937 1.090 0.000) 6.036 4.558 ( -5.363 -5.531 0.000) 7.704 5.001 ( -21.320 -0.523 0.000) 21.326 6.923 ( 3.280 -6.255 0.000) 7.063 7.821 ( 4.639 12.907 0.000) 13.716 8.163 ( 7.974 -15.411 0.000) 17.352 8.436 ( -9.339 1.363 0.000) 9.438 9.723 ( -5.056 -0.507 0.000) 5.081 9.823 ( -8.319 -0.636 0.000) 8.343 10.827 ( -11.720 -0.371 0.000) 11.725 11.228 ( 8.533 -0.202 0.000) 8.535 12.644 ( 5.035 0.785 0.000) 5.096 15.463 ( 21.459 5.037 0.000) 22.042 15.504 ( 23.106 6.701 0.000) 24.058 15.708 ( 8.013 0.319 0.000) 8.019 15.775 ( 18.865 -4.697 0.000) 19.441 15.959 ( 19.075 -1.190 0.000) 19.112 16.453 ( -14.734 10.375 0.000) 18.020 16.549 ( -17.035 -4.523 0.000) 17.626 16.643 ( -16.834 -5.114 0.000) 17.594 17.148 ( -21.414 0.491 0.000) 21.419 18.748 ( 3.739 -0.465 0.000) 3.768 19.143 ( 0.069 0.007 0.000) 0.070 19.806 ( 0.158 -0.013 0.000) 0.159 ======================= Grid point 132 (79/324) ======================= q-point: (-0.41 0.41 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.035 ( -0.000 12.457 0.000) 12.457 2.186 ( -0.000 11.982 0.000) 11.982 3.400 ( 0.000 -2.649 0.000) 2.649 3.479 ( -0.000 2.919 0.000) 2.919 3.523 ( -0.000 15.256 0.000) 15.256 3.984 ( 0.000 -3.714 0.000) 3.714 4.464 ( 0.000 -2.975 0.000) 2.975 4.550 ( 0.000 -8.665 0.000) 8.665 4.796 ( 0.000 -0.295 0.000) 0.295 7.000 ( 0.000 -9.119 0.000) 9.119 7.789 ( -0.000 12.727 0.000) 12.727 8.338 ( -0.000 2.000 0.000) 2.000 8.358 ( 0.000 -19.828 0.000) 19.828 9.681 ( 0.000 -0.907 0.000) 0.907 9.739 ( 0.000 -0.196 0.000) 0.196 10.715 ( 0.000 -0.211 0.000) 0.211 11.310 ( 0.000 -0.269 0.000) 0.269 12.686 ( -0.000 1.273 0.000) 1.273 15.660 ( -0.000 9.943 0.000) 9.943 15.706 ( -0.000 3.368 0.000) 3.368 15.848 ( -0.000 4.205 0.000) 4.205 15.981 ( -0.000 7.614 0.000) 7.614 16.241 ( 0.000 -0.763 0.000) 0.763 16.258 ( -0.000 0.407 0.000) 0.407 16.338 ( 0.000 -7.817 0.000) 7.817 16.423 ( 0.000 -1.790 0.000) 1.790 16.865 ( 0.000 -0.138 0.000) 0.138 18.783 ( 0.000 -0.423 0.000) 0.423 19.144 ( -0.000 0.046 0.000) 0.046 19.808 ( 0.000 -0.039 0.000) 0.039 ======================= Grid point 147 (80/324) ======================= q-point: (-0.53 0.47 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.188 ( -4.048 -0.000 0.000) 4.048 2.507 ( -21.298 -0.000 0.000) 21.298 3.359 ( 1.387 0.000 0.000) 1.387 3.496 ( 10.614 0.000 0.000) 10.614 3.637 ( -13.848 -0.000 0.000) 13.848 4.260 ( -21.198 -0.000 0.000) 21.198 4.479 ( -8.497 -0.000 0.000) 8.497 4.524 ( -5.740 -0.000 0.000) 5.740 4.998 ( -21.110 -0.000 0.000) 21.110 6.885 ( 3.267 0.000 0.000) 3.267 7.964 ( 4.042 0.000 0.000) 4.042 8.003 ( 7.076 0.000 0.000) 7.076 8.444 ( -9.339 -0.000 0.000) 9.339 9.720 ( -5.125 -0.000 0.000) 5.125 9.819 ( -8.113 -0.000 0.000) 8.113 10.825 ( -11.588 -0.000 0.000) 11.588 11.227 ( 8.545 0.000 0.000) 8.545 12.648 ( 5.100 0.000 0.000) 5.100 15.497 ( 21.201 0.000 0.000) 21.201 15.550 ( 25.088 0.000 0.000) 25.088 15.704 ( 8.065 0.000 0.000) 8.065 15.743 ( 19.938 0.000 0.000) 19.938 15.954 ( 18.640 0.000 0.000) 18.640 16.521 ( -17.459 -0.000 0.000) 17.459 16.551 ( -11.458 -0.000 0.000) 11.458 16.577 ( -20.313 -0.000 0.000) 20.313 17.151 ( -21.484 -0.000 0.000) 21.484 18.745 ( 3.841 0.000 0.000) 3.841 19.143 ( 0.085 0.000 0.000) 0.085 19.806 ( 0.151 0.000 0.000) 0.151 ======================= Grid point 149 (81/324) ======================= q-point: (-0.47 0.47 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.137 ( -0.000 4.419 0.000) 4.419 2.284 ( -0.000 4.239 0.000) 4.239 3.377 ( 0.000 -0.977 0.000) 0.977 3.503 ( -0.000 1.004 0.000) 1.004 3.637 ( -0.000 4.345 0.000) 4.345 3.951 ( 0.000 -1.506 0.000) 1.506 4.452 ( -0.000 0.087 0.000) 0.087 4.477 ( 0.000 -3.171 0.000) 3.171 4.794 ( 0.000 -0.052 0.000) 0.052 6.926 ( 0.000 -3.192 0.000) 3.192 7.945 ( -0.000 13.164 0.000) 13.164 8.141 ( 0.000 -15.935 0.000) 15.935 8.354 ( -0.000 0.684 0.000) 0.684 9.673 ( 0.000 -0.319 0.000) 0.319 9.738 ( 0.000 -0.071 0.000) 0.071 10.714 ( 0.000 -0.073 0.000) 0.073 11.307 ( 0.000 -0.093 0.000) 0.093 12.696 ( -0.000 0.456 0.000) 0.456 15.734 ( -0.000 1.214 0.000) 1.214 15.750 ( -0.000 4.304 0.000) 4.304 15.883 ( -0.000 1.587 0.000) 1.587 16.046 ( -0.000 2.951 0.000) 2.951 16.233 ( 0.000 -0.385 0.000) 0.385 16.261 ( -0.000 0.105 0.000) 0.105 16.266 ( 0.000 -3.588 0.000) 3.588 16.405 ( 0.000 -0.930 0.000) 0.930 16.864 ( 0.000 -0.041 0.000) 0.041 18.779 ( 0.000 -0.153 0.000) 0.153 19.144 ( -0.000 0.016 0.000) 0.016 19.808 ( 0.000 -0.012 0.000) 0.012 ======================= Grid point 297 (82/324) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.456 ( 0.000 0.000 23.603) 23.603 0.570 ( 0.000 0.000 29.426) 29.426 1.233 ( 0.000 0.000 61.927) 61.927 2.882 ( 0.000 0.000 -19.984) 19.984 3.356 ( 0.000 0.000 -14.448) 14.448 4.273 ( 0.000 0.000 12.589) 12.589 4.931 ( 0.000 0.000 -0.782) 0.782 5.491 ( 0.000 0.000 -12.458) 12.458 6.299 ( 0.000 0.000 7.938) 7.938 6.656 ( 0.000 0.000 11.571) 11.571 7.798 ( 0.000 0.000 -8.314) 8.314 7.898 ( 0.000 0.000 -1.384) 1.384 8.187 ( 0.000 0.000 0.598) 0.598 9.593 ( 0.000 0.000 -16.289) 16.289 9.825 ( 0.000 0.000 6.783) 6.783 10.711 ( 0.000 0.000 -3.111) 3.111 11.948 ( 0.000 0.000 8.083) 8.083 12.533 ( 0.000 0.000 -1.601) 1.601 14.978 ( 0.000 0.000 12.714) 12.714 15.381 ( 0.000 0.000 0.416) 0.416 15.393 ( 0.000 0.000 3.949) 3.949 15.468 ( 0.000 0.000 -0.568) 0.568 15.889 ( 0.000 0.000 -2.823) 2.823 16.163 ( 0.000 0.000 0.359) 0.359 16.220 ( 0.000 0.000 -0.277) 0.277 16.476 ( 0.000 0.000 1.393) 1.393 16.864 ( 0.000 0.000 -1.406) 1.406 17.729 ( 0.000 0.000 -15.651) 15.651 19.782 ( 0.000 0.000 -3.109) 3.109 20.533 ( 0.000 0.000 -10.950) 10.950 ======================= Grid point 298 (83/324) ======================= q-point: ( 0.06 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.817 ( 22.421 0.717 21.127) 30.815 1.044 ( 25.039 -5.813 28.278) 38.215 1.541 ( 38.142 -12.656 36.173) 54.069 3.089 ( 20.805 -1.165 -18.360) 27.772 3.391 ( 4.923 0.033 -13.936) 14.780 4.458 ( 18.548 -0.160 11.375) 21.759 5.181 ( 21.066 1.377 -4.649) 21.617 5.512 ( 4.055 4.755 -11.204) 12.829 5.941 ( -16.607 7.395 24.439) 30.458 6.626 ( -2.729 -3.005 10.102) 10.888 7.785 ( -7.466 -9.250 -10.659) 15.966 7.897 ( -5.143 -5.044 -4.439) 8.462 8.219 ( 5.684 -1.189 3.562) 6.812 9.623 ( 5.006 0.229 -17.625) 18.324 9.879 ( 5.122 -0.788 6.966) 8.683 10.933 ( 14.826 0.796 -9.380) 17.563 11.655 ( -15.632 1.648 21.295) 26.468 12.507 ( -2.742 -0.393 -1.877) 3.346 14.962 ( -1.165 -0.555 11.503) 11.575 15.148 ( -13.139 0.242 3.249) 13.537 15.462 ( 6.724 -3.021 0.311) 7.377 15.669 ( -14.281 3.188 -1.652) 14.726 16.246 ( 9.978 2.542 -2.459) 10.587 16.390 ( 13.559 5.039 -1.454) 14.538 16.527 ( 5.864 -1.516 1.102) 6.156 16.868 ( 0.931 -0.592 -1.338) 1.734 16.930 ( 68.563 -1.776 -65.534) 94.862 17.740 ( -0.764 -8.021 -18.321) 20.014 19.779 ( -0.274 0.379 -2.889) 2.927 20.180 ( -23.259 8.311 13.347) 28.075 ======================= Grid point 299 (84/324) ======================= q-point: ( 0.12 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.245 ( 22.134 2.588 27.396) 35.315 1.477 ( 23.047 -14.044 25.270) 36.972 2.580 ( 56.922 -10.320 10.122) 58.728 3.531 ( 13.304 2.382 -14.410) 19.757 3.635 ( 31.963 -2.588 -14.839) 35.335 4.878 ( 22.902 0.354 6.574) 23.829 5.480 ( 4.999 6.446 6.454) 10.402 5.645 ( 11.892 5.228 -3.573) 13.473 5.820 ( 16.221 3.830 7.372) 18.225 6.593 ( -3.641 -6.821 8.206) 11.275 7.624 ( -12.649 0.266 -10.530) 16.460 7.739 ( -12.323 -5.436 -4.586) 14.228 8.466 ( 18.514 -1.695 3.307) 18.883 9.762 ( 9.237 1.163 -20.041) 22.098 9.996 ( 5.507 -2.072 7.547) 9.570 11.153 ( 4.681 0.068 0.396) 4.698 11.449 ( -1.488 1.936 13.874) 14.087 12.445 ( -3.620 0.021 -2.480) 4.388 14.871 ( -15.212 0.809 2.442) 15.428 14.932 ( -2.617 -0.146 9.571) 9.923 15.332 ( -16.224 1.176 -2.872) 16.518 15.680 ( 9.506 -4.285 2.736) 10.780 16.386 ( 8.808 8.430 -1.452) 12.278 16.539 ( 7.412 13.693 -1.283) 15.623 16.706 ( 9.750 -7.162 0.985) 12.138 16.937 ( 4.319 -7.250 -0.849) 8.482 17.590 ( 9.777 9.560 -24.734) 28.263 17.915 ( 13.483 -12.264 -46.157) 49.625 19.736 ( -9.393 5.894 10.968) 15.597 19.800 ( -7.090 -0.072 6.806) 9.828 ======================= Grid point 300 (85/324) ======================= q-point: ( 0.18 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.658 ( 22.796 -4.223 29.095) 37.202 2.074 ( 31.452 -9.611 12.054) 35.027 3.688 ( 54.701 -6.417 3.616) 55.195 3.783 ( 16.508 4.266 -13.080) 21.490 4.327 ( 38.178 -1.325 -13.279) 40.443 5.194 ( 12.238 4.887 -1.965) 13.323 5.399 ( -5.426 4.834 13.907) 15.691 5.899 ( 20.230 10.039 5.555) 23.257 6.338 ( 27.515 -5.883 -1.166) 28.161 6.606 ( 4.578 -4.606 6.524) 9.205 7.307 ( -18.338 4.657 -8.676) 20.814 7.612 ( -3.488 -7.333 -5.414) 9.760 8.878 ( 23.092 -1.521 -0.844) 23.157 9.907 ( 5.626 1.799 -20.951) 21.768 10.081 ( 1.334 -3.020 8.397) 9.023 11.032 ( -10.043 0.322 21.336) 23.584 11.663 ( 19.132 1.034 -3.120) 19.412 12.387 ( -1.874 1.168 -3.123) 3.824 14.586 ( -14.036 1.588 1.698) 14.227 14.844 ( -6.854 4.140 5.701) 9.830 15.049 ( -12.829 -2.359 -0.380) 13.050 15.847 ( 6.622 2.157 2.941) 7.560 16.459 ( 3.920 13.977 -4.003) 15.058 16.559 ( 5.498 9.914 1.139) 11.394 16.939 ( 9.598 -7.771 0.692) 12.368 17.071 ( 2.965 -9.575 -0.647) 10.045 17.604 ( -0.908 2.479 -15.838) 16.057 18.132 ( 3.789 -2.426 -35.830) 36.111 19.485 ( -9.972 3.720 16.904) 19.976 19.775 ( -0.389 -0.417 -1.482) 1.588 ======================= Grid point 301 (86/324) ======================= q-point: ( 0.24 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.159 ( 26.873 -6.960 23.137) 36.138 2.734 ( 33.337 -6.263 7.460) 34.730 4.088 ( 19.526 7.320 -11.440) 23.785 4.633 ( 40.241 -0.129 -1.360) 40.264 5.006 ( 30.765 -1.974 -14.626) 34.122 5.284 ( -2.639 3.875 13.686) 14.467 5.369 ( 14.211 8.747 -2.637) 16.894 6.142 ( 8.981 4.789 9.450) 13.889 6.562 ( -0.341 -10.387 2.305) 10.646 6.933 ( -12.468 4.711 -7.774) 15.430 7.106 ( 33.058 -1.416 2.873) 33.213 7.768 ( 16.649 -6.520 -5.096) 18.593 9.280 ( 16.263 -1.388 -9.460) 18.865 9.875 ( -10.418 0.585 -20.787) 23.259 10.094 ( 1.092 -2.738 19.061) 19.288 10.937 ( 2.008 1.259 21.160) 21.293 12.047 ( 21.161 -0.133 -5.100) 21.767 12.371 ( 1.502 2.553 -3.394) 4.505 14.336 ( -11.001 3.053 0.918) 11.454 14.620 ( -11.495 7.347 0.123) 13.643 14.895 ( -7.076 -3.376 4.217) 8.902 15.896 ( 3.096 10.743 2.854) 11.539 16.379 ( -0.528 18.351 -3.860) 18.759 16.604 ( 0.358 0.426 0.561) 0.790 17.111 ( -1.575 -7.527 -1.437) 7.823 17.156 ( 5.378 -6.912 0.637) 8.781 17.560 ( -2.160 1.648 -15.037) 15.281 18.102 ( -6.499 1.483 -21.245) 22.266 19.331 ( -4.938 1.828 12.228) 13.314 19.774 ( 0.138 -0.229 -0.997) 1.032 ======================= Grid point 302 (87/324) ======================= q-point: ( 0.29 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.727 ( 28.720 -6.913 17.737) 34.457 3.377 ( 31.761 -3.703 4.990) 32.363 4.413 ( 20.244 9.271 -9.304) 24.132 4.991 ( 2.707 3.581 -1.563) 4.753 5.255 ( 5.416 8.656 3.189) 10.697 5.485 ( 11.575 -4.249 -10.190) 15.996 5.687 ( 21.635 6.302 -1.135) 22.563 6.163 ( -6.276 0.176 7.645) 9.892 6.661 ( 9.017 -8.876 0.881) 12.683 6.840 ( 10.647 2.992 -3.337) 11.552 7.763 ( 32.903 -2.721 3.452) 33.196 8.257 ( 29.295 -4.699 -3.532) 29.879 9.395 ( -5.423 -2.348 -13.940) 15.141 9.532 ( -23.452 0.114 -11.588) 26.159 10.266 ( 15.544 -2.041 23.107) 27.923 11.060 ( 10.284 1.976 12.952) 16.656 12.367 ( 6.916 2.641 -3.704) 8.278 12.474 ( 16.476 -0.076 -5.093) 17.245 14.147 ( -6.501 4.691 0.153) 8.018 14.378 ( -8.838 7.713 -1.003) 11.773 14.788 ( -6.088 -1.254 5.037) 8.001 15.847 ( 0.200 15.245 2.655) 15.475 16.236 ( -3.815 16.076 -3.344) 16.858 16.540 ( -7.399 -1.526 0.215) 7.558 17.018 ( -10.956 -4.811 -1.658) 12.080 17.277 ( 2.191 -4.531 -3.720) 6.258 17.517 ( -0.994 1.935 -12.331) 12.521 17.907 ( -11.922 2.757 -10.498) 16.123 19.265 ( -1.614 0.870 8.676) 8.868 19.783 ( 0.617 -0.098 -0.356) 0.719 ======================= Grid point 303 (88/324) ======================= q-point: ( 0.35 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.291 ( 26.905 -5.140 14.031) 30.777 3.948 ( 27.027 -1.559 3.392) 27.283 4.717 ( 17.306 8.571 -6.292) 20.311 4.955 ( -2.067 2.022 0.704) 2.976 5.291 ( 4.201 10.891 2.219) 11.882 5.508 ( -8.109 -7.280 -9.539) 14.482 5.886 ( -2.184 9.776 -0.051) 10.017 6.056 ( 1.877 -7.040 -1.524) 7.443 7.019 ( 21.081 -5.393 1.181) 21.792 7.220 ( 26.788 2.713 -1.536) 26.969 8.340 ( 26.532 -2.440 4.818) 27.076 8.819 ( 23.479 -4.307 -3.387) 24.110 9.052 ( -25.363 0.468 -5.552) 25.968 9.234 ( -9.186 -2.888 -9.777) 13.723 10.607 ( 17.722 -1.220 18.538) 25.675 11.248 ( 10.288 2.065 7.990) 13.189 12.431 ( 3.595 2.985 -2.351) 5.231 12.805 ( 15.976 -0.784 -5.927) 17.058 14.043 ( -1.142 5.643 -0.356) 5.769 14.214 ( -3.531 7.251 -1.014) 8.128 14.685 ( -4.907 0.362 4.977) 6.999 15.729 ( -3.221 14.168 2.301) 14.711 16.039 ( -8.810 10.843 -2.633) 14.217 16.365 ( -11.002 -0.215 0.661) 11.024 16.787 ( -13.949 0.523 -2.061) 14.110 17.293 ( -1.984 -2.478 -10.976) 11.426 17.495 ( -0.959 1.327 -6.834) 7.027 17.660 ( -12.125 1.676 -4.812) 13.152 19.245 ( -0.354 0.543 7.398) 7.426 19.798 ( 0.910 0.029 0.248) 0.944 ======================= Grid point 304 (89/324) ======================= q-point: ( 0.41 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.765 ( 20.352 -2.609 12.052) 23.796 4.388 ( 18.977 0.076 2.335) 19.121 4.878 ( 1.369 2.796 1.741) 3.566 4.977 ( 7.601 3.294 -4.269) 9.319 5.275 ( 0.046 6.564 -0.311) 6.572 5.402 ( -5.342 -5.293 -5.326) 9.215 5.709 ( -8.201 3.614 0.200) 8.965 6.188 ( 6.019 -2.882 -6.458) 9.286 7.407 ( 16.411 -1.988 1.140) 16.570 7.676 ( 21.285 1.728 -2.474) 21.498 8.604 ( -19.243 0.503 -2.523) 19.414 8.770 ( 15.040 -1.373 5.602) 16.108 8.869 ( -10.484 -3.153 -6.800) 12.888 9.432 ( 19.678 -2.466 -3.379) 20.118 10.899 ( 12.248 -0.660 15.770) 19.979 11.403 ( 7.086 1.531 5.490) 9.094 12.471 ( 2.168 1.876 -1.485) 3.229 13.056 ( 10.187 -0.408 -5.953) 11.805 14.033 ( 3.157 5.016 -0.383) 5.939 14.159 ( 1.238 5.364 -0.652) 5.543 14.613 ( -2.067 0.855 4.168) 4.731 15.566 ( -6.433 8.337 1.873) 10.696 15.779 ( -13.375 4.707 -1.819) 14.296 16.169 ( -8.336 2.019 1.495) 8.707 16.540 ( -9.773 4.272 -2.315) 10.914 17.258 ( -2.543 -1.405 -13.895) 14.195 17.411 ( -7.971 0.852 -0.843) 8.061 17.501 ( -2.919 0.311 -6.857) 7.459 19.240 ( -0.049 0.374 7.254) 7.264 19.814 ( 0.808 0.091 0.702) 1.074 ======================= Grid point 305 (90/324) ======================= q-point: ( 0.47 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.047 ( 7.875 -0.627 11.569) 14.009 4.637 ( 7.197 0.432 1.761) 7.422 4.876 ( 0.674 1.681 0.967) 2.053 5.037 ( -0.509 -1.492 -1.088) 1.915 5.263 ( 1.718 2.536 -2.094) 3.710 5.368 ( -0.968 -0.815 -4.633) 4.803 5.579 ( -3.549 0.914 -0.067) 3.665 6.287 ( 2.740 -0.915 -7.725) 8.248 7.626 ( 5.832 -0.465 1.045) 5.944 7.949 ( 7.900 0.559 -3.329) 8.591 8.331 ( -7.947 0.242 -1.017) 8.016 8.692 ( -5.618 -1.079 -7.370) 9.329 9.004 ( 6.079 -0.425 7.781) 9.883 9.717 ( 7.923 -1.027 -3.050) 8.552 11.059 ( 4.297 -0.207 14.532) 15.156 11.488 ( 2.522 0.558 4.347) 5.057 12.489 ( 0.631 0.609 -0.919) 1.270 13.185 ( 3.406 -0.075 -5.851) 6.770 14.076 ( 2.708 2.163 0.155) 3.469 14.167 ( 1.116 1.943 -0.353) 2.268 14.602 ( 0.731 0.431 2.790) 2.916 15.426 ( -3.822 2.290 1.866) 4.830 15.538 ( -8.102 1.020 -1.391) 8.283 16.053 ( -2.716 1.466 2.136) 3.753 16.397 ( -3.130 2.391 -2.446) 4.637 17.227 ( -1.088 -0.505 -14.015) 14.066 17.289 ( -3.681 0.065 0.420) 3.705 17.471 ( -0.690 0.168 -7.897) 7.929 19.238 ( -0.004 0.141 7.347) 7.349 19.824 ( 0.320 0.048 0.938) 0.993 ======================= Grid point 315 (91/324) ======================= q-point: ( 0.06 0.06 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.309 ( 13.878 0.000 44.389) 46.508 1.346 ( 31.686 0.000 12.300) 33.989 2.516 ( 59.569 0.000 10.016) 60.405 3.548 ( 11.755 0.000 -13.991) 18.274 3.616 ( 34.327 0.000 -15.429) 37.635 4.880 ( 23.413 0.000 6.981) 24.432 5.520 ( 5.279 0.000 8.526) 10.028 5.676 ( 13.109 0.000 -8.328) 15.530 5.845 ( 12.692 0.000 8.377) 15.207 6.553 ( -3.439 -0.000 9.781) 10.368 7.604 ( -9.518 -0.000 -8.945) 13.061 7.723 ( -12.904 -0.000 -5.337) 13.964 8.455 ( 18.751 0.000 3.378) 19.053 9.769 ( 9.511 0.000 -20.912) 22.974 9.982 ( 5.334 0.000 8.399) 9.950 11.153 ( 4.160 0.000 0.512) 4.191 11.461 ( -1.476 -0.000 13.519) 13.600 12.445 ( -3.363 -0.000 -2.425) 4.147 14.876 ( -15.186 -0.000 2.541) 15.397 14.931 ( -2.064 -0.000 10.245) 10.451 15.340 ( -16.905 -0.000 -2.966) 17.163 15.653 ( 10.847 0.000 2.612) 11.157 16.449 ( 9.401 0.000 -1.227) 9.481 16.630 ( 10.484 0.000 -0.813) 10.516 16.665 ( 9.236 0.000 0.454) 9.247 16.874 ( 0.464 0.000 -0.776) 0.904 17.677 ( -2.407 -0.000 -15.914) 16.095 17.810 ( 27.130 0.000 -58.225) 64.236 19.775 ( -0.302 -0.000 -2.543) 2.561 19.799 ( -18.049 -0.000 20.089) 27.006 ======================= Grid point 316 (92/324) ======================= q-point: ( 0.12 0.06 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.630 ( 20.960 -0.826 36.365) 41.981 1.990 ( 34.794 -3.864 8.892) 36.119 3.632 ( 57.454 -2.461 3.974) 57.644 3.818 ( 17.202 1.517 -13.054) 21.648 4.316 ( 38.595 -0.461 -13.580) 40.917 5.231 ( 14.118 1.500 -1.069) 14.238 5.439 ( -6.770 1.740 14.193) 15.820 6.009 ( 21.370 6.814 1.006) 22.453 6.257 ( 17.084 -5.739 1.514) 18.086 6.579 ( 12.438 -0.645 6.801) 14.190 7.342 ( -18.707 1.375 -9.029) 20.818 7.548 ( -3.072 -2.878 -4.553) 6.201 8.865 ( 23.434 -0.527 -0.703) 23.451 9.925 ( 5.478 0.981 -23.860) 24.501 10.053 ( 1.365 -1.406 11.079) 11.251 11.035 ( -9.730 0.083 20.996) 23.141 11.672 ( 18.330 0.346 -2.896) 18.560 12.397 ( -1.363 0.439 -3.112) 3.425 14.600 ( -13.716 0.608 1.902) 13.861 14.879 ( -3.592 1.575 8.268) 9.151 15.029 ( -15.619 -0.895 -2.286) 15.811 15.860 ( 10.084 0.357 2.684) 10.441 16.565 ( 4.591 4.709 -1.587) 6.765 16.728 ( 2.937 14.854 -1.233) 15.192 16.859 ( 10.949 -4.509 0.629) 11.857 16.933 ( 1.425 -12.462 -0.627) 12.559 17.627 ( -2.279 1.078 -15.836) 16.035 18.111 ( 6.615 -0.983 -38.293) 38.873 19.517 ( -11.533 1.447 17.709) 21.182 19.771 ( -0.163 -0.196 -1.843) 1.860 ======================= Grid point 317 (93/324) ======================= q-point: ( 0.18 0.06 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.096 ( 27.002 -3.471 27.146) 38.446 2.674 ( 35.340 -3.580 6.444) 36.100 4.156 ( 20.237 3.977 -11.503) 23.615 4.627 ( 44.358 -0.607 -0.863) 44.371 4.988 ( 29.944 -0.984 -15.125) 33.562 5.319 ( -3.130 1.980 13.894) 14.379 5.451 ( 13.515 4.714 -2.532) 14.535 6.218 ( 5.976 7.701 7.233) 12.138 6.441 ( 2.045 -9.740 3.148) 10.438 6.976 ( -15.000 2.447 -7.458) 16.929 7.093 ( 32.894 -0.652 3.003) 33.037 7.701 ( 18.039 -4.324 -4.572) 19.105 9.268 ( 16.264 -0.716 -9.398) 18.797 9.881 ( -11.203 0.391 -21.330) 24.097 10.068 ( 1.764 -1.493 19.480) 19.617 10.949 ( 2.326 0.611 20.914) 21.052 12.046 ( 20.812 -0.126 -4.970) 21.397 12.395 ( 1.750 1.424 -3.485) 4.152 14.365 ( -10.449 1.711 1.193) 10.655 14.700 ( -11.814 5.845 -0.480) 13.190 14.852 ( -5.856 -3.656 5.191) 8.638 15.997 ( 6.160 5.835 2.459) 8.833 16.561 ( -1.273 8.073 -3.038) 8.719 16.647 ( -2.541 10.164 0.026) 10.477 16.993 ( -3.252 -11.874 -1.313) 12.382 17.084 ( 8.809 -4.642 0.009) 9.957 17.580 ( -1.924 1.394 -15.003) 15.190 18.115 ( -5.331 0.733 -22.657) 23.287 19.348 ( -5.839 1.068 12.983) 14.276 19.772 ( 0.234 -0.134 -1.095) 1.127 ======================= Grid point 318 (94/324) ======================= q-point: ( 0.24 0.06 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.659 ( 29.830 -4.406 19.847) 36.099 3.338 ( 33.102 -2.775 4.768) 33.559 4.509 ( 20.289 6.453 -9.536) 23.329 5.029 ( 1.294 2.617 -1.220) 3.164 5.330 ( 8.097 2.759 -7.871) 11.625 5.462 ( 12.284 1.299 0.938) 12.388 5.726 ( 16.614 0.417 -0.715) 16.634 6.198 ( -6.183 5.531 5.864) 10.159 6.553 ( 10.314 -8.962 2.093) 13.823 6.873 ( 10.215 2.180 -4.280) 11.288 7.735 ( 32.918 -1.837 3.700) 33.176 8.205 ( 30.128 -3.754 -3.204) 30.529 9.371 ( -5.741 -1.561 -13.500) 14.752 9.533 ( -23.639 0.072 -11.797) 26.419 10.247 ( 16.243 -1.255 22.902) 28.105 11.080 ( 10.345 1.233 12.761) 16.474 12.398 ( 10.501 2.428 -4.292) 11.601 12.469 ( 12.651 -0.744 -4.646) 13.497 14.195 ( -6.046 3.179 0.422) 6.844 14.462 ( -9.214 6.026 -1.420) 11.101 14.770 ( -5.022 -1.686 5.440) 7.593 16.013 ( 1.220 12.123 2.305) 12.401 16.419 ( -6.511 13.535 -3.420) 15.404 16.519 ( -8.596 -1.256 0.463) 8.700 16.936 ( -9.228 -8.505 -1.686) 12.663 17.228 ( 3.666 -3.400 -3.542) 6.128 17.542 ( -1.018 1.925 -12.544) 12.731 17.936 ( -11.897 2.025 -11.376) 16.585 19.274 ( -1.999 0.591 9.173) 9.407 19.782 ( 0.703 -0.060 -0.331) 0.780 ======================= Grid point 319 (95/324) ======================= q-point: ( 0.29 0.06 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.237 ( 28.553 -3.726 14.973) 32.456 3.927 ( 27.916 -1.785 3.554) 28.198 4.813 ( 15.415 7.123 -5.936) 17.989 4.981 ( -1.684 2.391 -0.456) 2.960 5.395 ( -0.469 -0.452 -7.256) 7.285 5.452 ( -5.223 5.049 0.034) 7.264 5.954 ( -6.839 -6.893 1.626) 9.845 6.002 ( 3.605 6.362 -2.874) 7.857 6.958 ( 24.111 -4.565 1.638) 24.594 7.250 ( 26.266 2.175 -2.270) 26.453 8.318 ( 27.745 -1.207 4.861) 28.194 8.767 ( 23.308 -4.035 -3.206) 23.871 9.056 ( -25.410 0.340 -5.811) 26.068 9.202 ( -8.792 -2.418 -9.155) 12.922 10.595 ( 18.163 -0.858 18.277) 25.781 11.270 ( 10.045 1.506 7.898) 12.867 12.467 ( 3.113 2.928 -2.587) 4.996 12.792 ( 16.019 -1.259 -5.951) 17.135 14.104 ( -1.238 4.338 -0.167) 4.514 14.297 ( -4.245 6.299 -1.182) 7.687 14.685 ( -4.464 -0.367 4.900) 6.639 15.896 ( -5.376 13.589 2.110) 14.766 16.166 ( -12.693 10.222 -2.762) 16.530 16.346 ( -10.700 -3.066 0.803) 11.160 16.767 ( -12.027 -3.576 -2.006) 12.707 17.265 ( -0.935 -2.091 -9.536) 9.807 17.516 ( -0.878 1.884 -8.378) 8.632 17.684 ( -12.681 2.231 -5.091) 13.846 19.251 ( -0.504 0.382 7.697) 7.723 19.798 ( 0.981 0.040 0.344) 1.040 ======================= Grid point 320 (96/324) ======================= q-point: ( 0.35 0.06 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.737 ( 21.938 -2.014 12.351) 25.256 4.383 ( 19.429 -0.759 2.666) 19.626 4.909 ( 0.334 2.320 1.782) 2.945 5.016 ( 3.433 3.093 -4.960) 6.779 5.309 ( -3.723 -2.910 -5.589) 7.319 5.395 ( -0.171 6.168 0.008) 6.171 5.740 ( -10.211 1.282 0.564) 10.306 6.152 ( 6.930 -2.858 -6.475) 9.905 7.383 ( 17.672 -1.902 1.262) 17.818 7.696 ( 20.606 1.588 -2.726) 20.846 8.609 ( -19.317 0.451 -2.674) 19.506 8.765 ( 15.684 0.506 4.815) 16.415 8.834 ( -8.188 -2.641 -5.876) 10.419 9.395 ( 19.372 -3.667 -3.143) 19.965 10.892 ( 12.567 -0.510 15.638) 20.069 11.420 ( 6.566 1.254 5.466) 8.635 12.495 ( 1.423 2.022 -1.683) 2.991 13.049 ( 10.425 -0.753 -6.011) 12.057 14.089 ( 1.999 4.228 -0.267) 4.684 14.225 ( -0.075 5.536 -0.679) 5.578 14.618 ( -2.475 -0.044 3.920) 4.636 15.673 ( -9.936 9.336 1.788) 13.751 15.841 ( -15.999 5.559 -1.996) 17.055 16.174 ( -8.747 -1.311 1.640) 8.995 16.558 ( -11.053 -0.993 -2.197) 11.313 17.243 ( -1.798 -0.997 -12.998) 13.160 17.437 ( -7.702 3.198 -1.551) 8.482 17.507 ( -2.807 0.677 -7.254) 7.807 19.244 ( -0.179 0.278 7.444) 7.452 19.815 ( 0.825 0.109 0.807) 1.160 ======================= Grid point 321 (97/324) ======================= q-point: ( 0.41 0.06 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.040 ( 8.732 -0.502 11.630) 14.552 4.639 ( 6.885 -0.104 1.982) 7.166 4.892 ( -1.707 0.892 0.748) 2.066 5.018 ( 0.592 -1.474 -1.515) 2.195 5.297 ( -0.706 3.024 -1.873) 3.627 5.364 ( -0.148 0.032 -4.422) 4.425 5.592 ( -4.274 1.149 0.011) 4.425 6.270 ( 3.496 -1.859 -7.744) 8.697 7.617 ( 6.246 -0.915 1.129) 6.413 7.957 ( 7.264 0.699 -3.298) 8.009 8.334 ( -8.200 0.238 -1.093) 8.276 8.678 ( -4.348 -1.114 -7.220) 8.501 9.016 ( 7.719 2.434 7.411) 10.974 9.691 ( 8.360 -3.101 -2.850) 9.361 11.057 ( 4.569 -0.154 14.506) 15.210 11.494 ( 1.831 0.481 4.349) 4.744 12.498 ( -0.094 0.817 -1.008) 1.301 13.183 ( 3.544 -0.221 -5.883) 6.871 14.100 ( 0.123 1.836 0.240) 1.856 14.199 ( -0.654 3.302 -0.392) 3.388 14.599 ( -0.285 -0.863 2.680) 2.830 15.470 ( -5.771 4.954 1.867) 7.831 15.563 ( -8.812 2.940 -1.486) 9.408 16.046 ( -5.743 -2.577 2.147) 6.651 16.390 ( -7.672 -3.265 -2.288) 8.646 17.225 ( -0.235 0.066 -14.053) 14.055 17.310 ( -2.723 3.189 0.191) 4.198 17.476 ( -0.711 0.647 -7.794) 7.853 19.239 ( -0.178 0.105 7.429) 7.432 19.825 ( 0.283 0.087 0.986) 1.030 ======================= Grid point 322 (98/324) ======================= q-point: (-0.53 0.06 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.055 ( -6.890 0.665 11.551) 13.466 4.629 ( -7.879 -0.816 1.550) 8.072 4.854 ( -1.658 -1.807 1.393) 2.820 5.049 ( -0.492 0.361 -1.063) 1.226 5.238 ( -4.062 -1.636 -2.221) 4.910 5.383 ( 3.116 1.553 -4.704) 5.852 5.572 ( 2.156 -0.201 -0.156) 2.171 6.291 ( -1.875 -0.212 -7.799) 8.024 7.628 ( -5.263 -0.022 1.178) 5.393 7.944 ( -8.556 -0.323 -3.048) 9.088 8.328 ( 7.657 -0.215 -1.008) 7.726 8.703 ( 6.923 0.884 -7.538) 10.273 9.027 ( -4.733 3.288 7.482) 9.444 9.715 ( -7.331 -1.237 -2.969) 8.005 11.062 ( -4.012 0.238 14.583) 15.127 11.481 ( -3.226 -0.561 4.351) 5.446 12.483 ( -1.261 -0.285 -0.883) 1.566 13.185 ( -3.414 -0.102 -5.789) 6.721 14.050 ( -5.223 -2.196 0.157) 5.668 14.152 ( -3.326 -0.470 -0.541) 3.402 14.590 ( -1.271 -1.383 3.087) 3.613 15.416 ( 1.371 0.677 1.801) 2.363 15.539 ( 7.178 1.154 -1.257) 7.378 16.012 ( 0.216 -5.280 2.037) 5.664 16.332 ( -1.403 -8.019 -2.294) 8.458 17.237 ( 1.820 1.016 -14.776) 14.923 17.308 ( 4.359 2.991 0.343) 5.297 17.472 ( 0.706 0.410 -7.206) 7.252 19.236 ( -0.185 -0.164 7.304) 7.308 19.824 ( -0.360 0.003 0.893) 0.963 ======================= Grid point 323 (99/324) ======================= q-point: (-0.47 0.06 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.798 ( -18.535 2.916 11.796) 22.163 4.381 ( -18.672 -1.156 1.857) 18.800 4.843 ( -4.120 -2.976 1.282) 5.241 4.938 ( -8.483 -3.178 -2.480) 9.392 5.198 ( -3.301 -5.767 -0.556) 6.668 5.474 ( 8.742 6.341 -5.658) 12.192 5.659 ( 5.033 -4.485 -0.093) 6.742 6.218 ( -4.614 2.078 -6.694) 8.392 7.430 ( -14.777 1.917 1.093) 14.941 7.656 ( -22.067 -1.601 -1.874) 22.204 8.598 ( 19.406 -0.484 -2.403) 19.560 8.798 ( -14.154 3.319 5.445) 15.524 8.907 ( 11.678 3.139 -7.231) 14.090 9.451 ( -19.549 0.663 -3.430) 19.859 10.908 ( -11.873 0.739 15.942) 19.892 11.384 ( -7.678 -1.599 5.513) 9.587 12.451 ( -2.747 -1.306 -1.347) 3.326 13.058 ( -10.201 -0.134 -5.829) 11.749 13.972 ( -4.368 -5.110 -0.393) 6.734 14.099 ( -3.028 -4.630 -0.867) 5.600 14.600 ( 2.022 -1.145 4.583) 5.138 15.475 ( 2.066 -6.735 1.951) 7.310 15.731 ( 10.104 -3.235 -1.697) 10.744 16.129 ( 8.756 -4.555 1.331) 9.959 16.455 ( 9.005 -9.618 -2.115) 13.344 17.276 ( 2.945 1.491 -15.557) 15.903 17.418 ( 7.767 1.829 -0.471) 7.993 17.501 ( 3.153 0.343 -5.663) 6.490 19.235 ( -0.112 -0.439 7.090) 7.105 19.813 ( -0.795 -0.050 0.587) 0.989 ======================= Grid point 324 (100/324) ======================= q-point: (-0.41 0.06 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.358 ( -24.873 5.992 13.067) 28.729 3.962 ( -25.841 0.616 3.023) 26.024 4.613 ( -19.271 -8.671 -5.568) 21.853 4.932 ( 1.772 -1.765 1.333) 2.834 5.165 ( -5.136 -9.866 2.036) 11.308 5.595 ( 6.633 6.783 -9.459) 13.397 5.766 ( -1.343 -9.715 -0.124) 9.808 6.131 ( -0.282 5.388 -2.543) 5.965 7.082 ( -19.325 4.695 0.239) 19.888 7.190 ( -26.201 -1.828 0.160) 26.265 8.375 ( -25.964 3.420 4.612) 26.591 8.867 ( -23.924 3.686 -3.417) 24.446 9.045 ( 25.345 -0.551 -5.216) 25.882 9.269 ( 10.256 2.823 -10.603) 15.019 10.624 ( -17.133 1.474 18.891) 25.546 11.221 ( -10.642 -2.384 8.081) 13.573 12.398 ( -3.957 -2.349 -2.156) 5.082 12.809 ( -16.163 -0.057 -5.830) 17.183 13.972 ( 1.074 -6.089 -0.516) 6.204 14.127 ( 2.613 -7.243 -1.071) 7.774 14.678 ( 5.367 -0.800 5.260) 7.557 15.560 ( 0.460 -13.741 2.418) 13.959 15.911 ( 4.739 -10.376 -2.541) 11.686 16.355 ( 11.975 -1.780 0.663) 12.125 16.751 ( 15.946 -5.443 -1.986) 16.966 17.322 ( 2.921 2.234 -13.443) 13.937 17.489 ( 1.110 0.446 -4.700) 4.850 17.646 ( 11.077 -0.643 -4.243) 11.879 19.238 ( 0.181 -0.664 7.101) 7.134 19.797 ( -0.835 -0.001 0.133) 0.845 ======================= Grid point 325 (101/324) ======================= q-point: (-0.35 0.06 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.822 ( -27.108 8.711 15.372) 32.358 3.423 ( -29.792 3.814 5.076) 30.461 4.293 ( -20.493 -10.519 -8.486) 24.548 4.942 ( -5.239 -4.710 -1.849) 7.283 5.144 ( -2.396 -9.301 5.527) 11.082 5.545 ( -11.888 4.028 -12.813) 17.937 5.585 ( -22.724 -8.796 -0.231) 24.368 6.187 ( 4.759 3.715 7.151) 9.358 6.732 ( -10.568 -0.201 -3.276) 11.066 6.835 ( -8.922 5.323 1.173) 10.455 7.797 ( -33.249 2.943 3.244) 33.536 8.313 ( -28.490 4.425 -3.812) 29.083 9.426 ( 5.414 2.750 -14.399) 15.627 9.530 ( 22.855 -0.112 -11.423) 25.551 10.295 ( -14.527 2.707 23.384) 27.662 11.033 ( -10.270 -2.584 13.180) 16.908 12.336 ( -4.735 -2.444 -3.292) 6.263 12.471 ( -19.000 -0.663 -5.328) 19.744 14.085 ( 7.161 -5.405 -0.196) 8.974 14.281 ( 8.615 -8.197 -0.898) 11.925 14.798 ( 7.136 0.500 4.914) 8.679 15.656 ( -0.017 -16.313 2.917) 16.572 16.043 ( 1.264 -15.842 -3.232) 16.218 16.552 ( 7.755 0.532 0.204) 7.776 17.044 ( 11.928 -0.595 -2.064) 12.120 17.333 ( -0.657 4.705 -4.132) 6.297 17.503 ( 1.503 -0.174 -11.557) 11.656 17.873 ( 11.415 -2.900 -9.430) 15.088 19.254 ( 1.184 -1.029 8.100) 8.251 19.784 ( -0.516 0.129 -0.390) 0.659 ======================= Grid point 326 (102/324) ======================= q-point: (-0.29 0.06 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.262 ( -26.146 10.052 18.321) 33.471 2.820 ( -30.391 7.963 8.409) 32.523 3.985 ( -18.558 -9.471 -10.989) 23.556 4.625 ( -34.708 -1.751 -1.800) 34.799 5.033 ( -30.580 2.273 -13.482) 33.497 5.218 ( -3.676 -8.608 5.428) 10.820 5.258 ( -10.957 -7.686 4.751) 14.202 6.108 ( -11.764 -0.864 11.007) 16.134 6.691 ( 2.493 11.035 1.728) 11.444 6.865 ( 10.171 -6.404 -8.279) 14.594 7.125 ( -34.361 1.712 2.923) 34.528 7.848 ( -15.296 6.427 -5.614) 17.516 9.301 ( -16.264 1.940 -9.558) 18.964 9.868 ( 9.771 -0.611 -20.394) 22.622 10.133 ( -0.607 3.687 18.860) 19.226 10.918 ( -1.580 -1.939 21.501) 21.646 12.048 ( -21.842 -0.149 -5.247) 22.464 12.336 ( -0.944 -3.084 -3.295) 4.610 14.294 ( 11.916 -3.752 0.461) 12.501 14.528 ( 11.908 -7.848 0.095) 14.262 14.932 ( 8.099 2.665 3.641) 9.271 15.747 ( -0.147 -13.785 3.359) 14.189 16.154 ( -0.397 -18.799 -3.710) 19.166 16.612 ( -1.135 1.543 0.298) 1.939 17.175 ( 1.963 2.747 -2.255) 4.060 17.232 ( -5.395 5.515 1.039) 7.784 17.551 ( 2.869 0.575 -14.003) 14.305 18.080 ( 8.085 -2.214 -19.328) 21.067 19.306 ( 3.782 -2.152 11.162) 11.980 19.778 ( -0.032 0.275 -0.881) 0.923 ======================= Grid point 327 (103/324) ======================= q-point: (-0.24 0.06 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.738 ( -23.391 9.290 20.602) 32.525 2.211 ( -27.399 12.904 14.196) 33.448 3.717 ( -15.541 -6.256 -13.006) 21.209 3.777 ( -49.359 7.766 2.921) 50.052 4.347 ( -37.609 2.070 -12.717) 39.755 5.112 ( -9.317 -8.885 -3.008) 13.221 5.327 ( 3.461 -7.040 13.446) 15.568 5.789 ( -22.744 -7.672 9.412) 25.782 6.380 ( -35.930 1.248 -0.925) 35.963 6.700 ( 3.480 10.819 4.283) 12.145 7.231 ( 16.658 -7.830 -8.278) 20.182 7.710 ( 4.626 8.436 -6.325) 11.514 8.901 ( -22.498 2.330 -1.110) 22.646 9.886 ( -5.941 -1.606 -19.497) 20.446 10.120 ( -1.372 3.470 7.414) 8.300 11.026 ( 10.617 -0.739 21.903) 24.352 11.647 ( -20.522 -1.704 -3.495) 20.887 12.370 ( 2.802 -1.510 -3.174) 4.495 14.564 ( 14.765 -1.997 1.259) 14.952 14.785 ( 9.935 -5.490 3.391) 11.846 15.083 ( 10.859 3.232 0.670) 11.350 15.800 ( -1.069 -5.828 3.471) 6.867 16.251 ( -1.547 -18.789 -4.034) 19.279 16.499 ( -9.608 -1.256 1.127) 9.755 17.031 ( -9.026 7.301 0.801) 11.636 17.155 ( -4.083 4.234 -1.335) 6.032 17.576 ( -1.202 -1.885 -14.895) 15.062 18.164 ( 0.456 2.822 -31.842) 31.970 19.433 ( 7.714 -4.739 15.607) 18.043 19.780 ( 0.542 0.419 -1.111) 1.306 ======================= Grid point 328 (104/324) ======================= q-point: (-0.18 0.06 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.272 ( -21.397 7.212 19.596) 29.897 1.662 ( -21.316 16.752 23.428) 35.832 2.747 ( -50.476 16.818 9.890) 54.115 3.498 ( -12.449 -2.957 -14.647) 19.449 3.671 ( -30.519 3.335 -13.996) 33.741 4.870 ( -21.173 -1.154 5.303) 21.857 5.373 ( -6.340 -11.028 3.326) 13.148 5.548 ( -7.470 -10.656 6.664) 14.620 5.767 ( -25.188 -4.473 4.187) 25.923 6.714 ( 5.005 12.799 4.878) 14.583 7.563 ( 12.625 -8.631 -9.616) 18.065 7.860 ( 16.423 12.235 -7.083) 21.670 8.495 ( -17.895 3.042 3.107) 18.416 9.745 ( -8.724 -1.514 -18.619) 20.617 10.027 ( -5.874 2.889 6.272) 9.066 11.151 ( -6.242 -0.199 0.014) 6.245 11.416 ( 1.770 -3.474 14.841) 15.345 12.445 ( 4.295 0.026 -2.637) 5.040 14.860 ( 15.458 -0.899 2.106) 15.626 14.933 ( 4.546 -0.119 7.612) 8.867 15.319 ( 14.365 -0.733 -2.513) 14.602 15.747 ( -5.150 6.151 3.117) 8.607 16.273 ( -7.339 -10.510 -3.015) 13.169 16.368 ( -6.054 -12.984 0.426) 14.333 16.797 ( -10.841 7.505 0.891) 13.215 17.011 ( -7.449 4.610 -1.300) 8.856 17.483 ( -14.507 -7.869 -23.227) 28.493 18.063 ( -5.528 11.947 -39.743) 41.866 19.645 ( 9.648 -8.796 16.156) 20.772 19.800 ( 2.728 -0.009 1.681) 3.204 ======================= Grid point 329 (105/324) ======================= q-point: (-0.12 0.06 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.853 ( -17.254 8.715 19.512) 27.465 1.170 ( -25.292 14.539 22.091) 36.594 1.794 ( -31.482 27.120 31.160) 51.938 3.116 ( -19.826 3.248 -17.938) 26.934 3.391 ( -5.085 0.196 -13.892) 14.795 4.461 ( -18.620 0.202 10.893) 21.573 5.151 ( -20.848 -3.397 -3.510) 21.412 5.410 ( -4.087 -11.709 -8.097) 14.811 5.785 ( 7.747 -16.882 23.459) 29.922 6.720 ( 3.449 12.374 5.953) 14.158 7.780 ( 4.818 -7.105 -9.060) 12.481 8.112 ( 15.934 19.945 -12.978) 28.638 8.262 ( 1.565 8.399 1.701) 8.711 9.618 ( -4.615 -0.554 -17.112) 17.732 9.896 ( -5.796 1.795 6.085) 8.593 10.915 ( -14.979 -2.088 -8.272) 17.238 11.620 ( 13.147 -3.866 21.900) 25.834 12.516 ( 3.183 0.901 -2.140) 3.940 14.976 ( 1.576 1.879 10.042) 10.337 15.146 ( 14.057 0.303 2.746) 14.326 15.519 ( -3.280 4.510 -1.396) 5.749 15.622 ( 4.172 -1.785 0.273) 4.546 16.196 ( -5.520 -5.123 -2.516) 7.940 16.307 ( -9.474 -7.398 -1.065) 12.067 16.563 ( -9.713 3.998 0.311) 10.508 16.874 ( -4.448 0.326 -2.268) 5.004 16.950 ( -47.655 0.697 -42.971) 64.172 17.898 ( -1.378 16.360 -28.947) 33.278 19.767 ( 0.757 -2.046 -1.624) 2.720 20.020 ( 14.623 -15.753 18.089) 28.093 ======================= Grid point 330 (106/324) ======================= q-point: (-0.06 0.06 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.599 ( -0.000 20.738 17.975) 27.443 0.636 ( -0.000 11.440 26.001) 28.407 1.382 ( -0.000 23.015 53.929) 58.634 2.900 ( -0.000 2.976 -19.705) 19.929 3.350 ( 0.000 -0.520 -13.875) 13.885 4.273 ( 0.000 -0.024 12.454) 12.454 4.923 ( 0.000 -1.297 -0.768) 1.507 5.440 ( 0.000 -8.321 -10.591) 13.469 6.060 ( 0.000 -29.500 22.335) 37.002 6.687 ( -0.000 9.131 7.710) 11.951 7.840 ( 0.000 -3.283 -5.707) 6.584 8.127 ( -0.000 9.320 -9.424) 13.254 8.323 ( -0.000 38.611 -25.516) 46.281 9.593 ( -0.000 0.010 -16.205) 16.205 9.824 ( 0.000 -0.073 6.783) 6.784 10.710 ( 0.000 -0.155 -3.107) 3.111 11.872 ( 0.000 -10.401 15.368) 18.557 12.543 ( -0.000 1.297 -2.265) 2.610 14.980 ( -0.000 1.045 11.815) 11.861 15.369 ( 0.000 -0.343 5.784) 5.795 15.392 ( -0.000 1.766 0.424) 1.817 15.480 ( -0.000 1.923 -0.571) 2.006 16.092 ( -0.000 23.964 -18.501) 30.275 16.167 ( -0.000 0.782 0.343) 0.854 16.223 ( -0.000 0.438 -0.270) 0.515 16.490 ( -0.000 2.529 1.151) 2.779 16.851 ( 0.000 -2.113 -1.729) 2.730 17.806 ( -0.000 12.117 -20.711) 23.995 19.779 ( 0.000 -0.698 -2.886) 2.970 20.352 ( 0.000 -25.456 4.807) 25.906 ======================= Grid point 333 (107/324) ======================= q-point: ( 0.12 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.076 ( 26.957 0.000 28.743) 39.406 2.652 ( 36.081 0.000 5.989) 36.575 4.180 ( 20.502 0.000 -11.480) 23.497 4.623 ( 45.840 0.000 -0.665) 45.845 4.982 ( 29.608 0.000 -15.289) 33.323 5.331 ( -3.401 -0.000 13.858) 14.269 5.479 ( 13.441 0.000 -2.363) 13.648 6.306 ( 0.634 0.000 5.797) 5.831 6.343 ( 7.182 0.000 3.957) 8.200 6.991 ( -16.556 -0.000 -7.450) 18.155 7.089 ( 33.347 0.000 3.154) 33.496 7.673 ( 18.664 0.000 -4.344) 19.163 9.263 ( 16.264 0.000 -9.377) 18.774 9.884 ( -11.592 -0.000 -21.635) 24.545 10.059 ( 2.112 0.000 19.740) 19.853 10.952 ( 2.443 0.000 20.825) 20.968 12.045 ( 20.708 0.000 -4.920) 21.284 12.404 ( 1.814 0.000 -3.520) 3.960 14.376 ( -10.267 -0.000 1.284) 10.347 14.744 ( -13.700 -0.000 -2.508) 13.928 14.821 ( -3.665 -0.000 7.343) 8.207 16.033 ( 7.588 0.000 2.299) 7.928 16.593 ( -2.903 -0.000 -0.906) 3.041 16.786 ( -4.406 -0.000 -2.775) 5.207 16.862 ( -1.944 -0.000 -0.527) 2.014 17.054 ( 10.000 0.000 -0.219) 10.002 17.589 ( -1.889 -0.000 -14.915) 15.034 18.120 ( -4.898 -0.000 -23.179) 23.691 19.355 ( -6.183 -0.000 13.257) 14.627 19.771 ( 0.275 0.000 -1.134) 1.167 ======================= Grid point 334 (108/324) ======================= q-point: ( 0.18 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.623 ( 30.383 -1.507 21.110) 37.028 3.314 ( 33.806 -1.041 4.592) 34.132 4.563 ( 20.444 2.325 -9.463) 22.648 5.052 ( 0.722 1.078 -0.897) 1.578 5.333 ( 8.100 -0.667 -16.397) 18.301 5.499 ( 17.194 2.728 9.890) 20.022 5.715 ( 8.926 -1.247 -0.559) 9.030 6.275 ( -7.773 5.736 3.259) 10.195 6.455 ( 14.081 -6.291 3.397) 15.792 6.890 ( 10.041 0.736 -4.519) 11.036 7.720 ( 33.025 -0.628 3.869) 33.257 8.173 ( 30.678 -1.460 -2.977) 30.857 9.358 ( -5.980 -0.545 -13.247) 14.544 9.534 ( -23.689 0.024 -11.924) 26.521 10.236 ( 16.595 -0.422 22.791) 28.196 11.090 ( 10.392 0.418 12.655) 16.381 12.423 ( 16.873 1.483 -5.212) 17.722 12.458 ( 6.153 -0.897 -3.803) 7.288 14.221 ( -5.815 1.124 0.567) 5.950 14.515 ( -9.694 2.492 -2.069) 10.221 14.752 ( -4.162 -0.958 6.072) 7.423 16.123 ( 3.122 5.265 1.993) 6.437 16.471 ( -9.956 -1.298 -0.068) 10.041 16.594 ( -10.996 9.370 -2.849) 14.725 16.829 ( -6.152 -7.841 -1.532) 10.083 17.199 ( 4.655 -1.281 -3.540) 5.987 17.558 ( -1.131 0.747 -12.541) 12.614 17.953 ( -11.727 0.749 -11.890) 16.717 19.279 ( -2.229 0.211 9.463) 9.724 19.781 ( 0.753 -0.020 -0.319) 0.818 ======================= Grid point 335 (109/324) ======================= q-point: ( 0.24 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.203 ( 29.624 -1.948 15.670) 33.570 3.909 ( 28.475 -1.171 3.595) 28.725 4.880 ( 12.887 3.756 -3.930) 13.987 5.013 ( 0.751 2.750 -2.836) 4.021 5.336 ( -8.239 -4.958 -10.649) 14.348 5.575 ( 0.643 11.114 3.597) 11.699 5.847 ( -0.957 -9.646 0.464) 9.704 6.077 ( -5.148 4.705 -1.915) 7.232 6.913 ( 26.768 -2.753 1.955) 26.980 7.271 ( 25.904 1.180 -2.560) 26.057 8.309 ( 29.002 -0.310 4.811) 29.400 8.727 ( 23.269 -2.539 -3.002) 23.599 9.060 ( -25.484 0.183 -5.967) 26.173 9.179 ( -8.790 -1.393 -8.781) 12.502 10.587 ( 18.432 -0.440 18.118) 25.850 11.284 ( 9.905 0.791 7.833) 12.653 12.497 ( 2.556 1.917 -2.773) 4.231 12.777 ( 16.293 -1.020 -5.945) 17.373 14.145 ( -1.316 2.352 -0.015) 2.695 14.360 ( -4.694 3.936 -1.560) 6.322 14.678 ( -4.170 -0.691 5.088) 6.615 16.050 ( -6.370 11.898 1.864) 13.624 16.267 ( -14.139 2.579 -1.714) 14.475 16.299 ( -13.320 -1.419 -0.176) 13.396 16.714 ( -9.866 -4.465 -1.840) 10.985 17.245 ( -0.062 -1.159 -8.991) 9.066 17.535 ( -0.968 1.155 -9.067) 9.191 17.709 ( -12.707 1.624 -5.307) 13.866 19.254 ( -0.608 0.197 7.922) 7.948 19.798 ( 1.030 0.028 0.408) 1.109 ======================= Grid point 336 (110/324) ======================= q-point: ( 0.29 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.717 ( 23.111 -1.252 12.629) 26.366 4.373 ( 19.825 -0.910 2.826) 20.046 4.933 ( 0.467 1.580 1.600) 2.297 5.049 ( -3.760 2.314 -4.688) 6.439 5.265 ( 2.874 -3.370 -6.879) 8.181 5.490 ( -3.506 8.488 0.662) 9.208 5.734 ( -9.871 -2.387 1.015) 10.206 6.124 ( 6.600 -1.729 -6.574) 9.475 7.363 ( 18.538 -1.429 1.428) 18.648 7.713 ( 20.101 1.110 -2.741) 20.317 8.614 ( -19.562 0.304 -2.828) 19.767 8.777 ( 10.550 1.021 1.308) 10.680 8.809 ( 0.069 -1.282 -2.544) 2.850 9.350 ( 18.678 -3.518 -2.821) 19.215 10.887 ( 12.797 -0.319 15.553) 20.143 11.432 ( 6.183 0.818 5.447) 8.280 12.517 ( 0.694 1.584 -1.878) 2.553 13.039 ( 10.793 -0.725 -6.023) 12.381 14.132 ( 1.079 2.810 -0.106) 3.012 14.287 ( -0.784 4.642 -0.982) 4.809 14.612 ( -3.104 -0.900 3.952) 5.105 15.785 ( -12.668 9.147 1.659) 15.713 15.907 ( -17.971 5.050 -2.205) 18.797 16.140 ( -9.189 -4.174 1.804) 10.253 16.528 ( -12.012 -3.349 -1.903) 12.615 17.235 ( -1.018 -0.490 -12.789) 12.839 17.478 ( -7.313 3.302 -2.323) 8.354 17.515 ( -2.839 0.591 -7.021) 7.596 19.246 ( -0.269 0.170 7.617) 7.623 19.816 ( 0.842 0.088 0.888) 1.227 ======================= Grid point 337 (111/324) ======================= q-point: ( 0.35 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.035 ( 9.369 -0.334 11.726) 15.013 4.635 ( 6.921 -0.485 2.134) 7.259 4.895 ( -4.929 -0.352 0.479) 4.965 5.007 ( 3.273 -0.227 -1.623) 3.660 5.333 ( -2.024 2.688 -2.492) 4.187 5.368 ( -1.792 0.570 -3.701) 4.152 5.605 ( -3.948 0.865 0.242) 4.049 6.245 ( 4.082 -2.086 -7.844) 9.086 7.605 ( 6.592 -0.978 1.366) 6.803 7.965 ( 6.707 0.607 -3.063) 7.398 8.337 ( -8.385 0.196 -1.206) 8.474 8.666 ( -3.283 -0.928 -7.093) 7.871 9.058 ( 9.293 4.136 6.565) 12.106 9.646 ( 8.594 -4.232 -2.434) 9.884 11.055 ( 4.794 -0.096 14.501) 15.274 11.499 ( 1.252 0.349 4.357) 4.546 12.508 ( -0.781 0.784 -1.123) 1.576 13.180 ( 3.765 -0.264 -5.889) 6.995 14.119 ( -2.134 1.292 0.363) 2.521 14.243 ( -2.003 3.974 -0.662) 4.500 14.582 ( -1.252 -1.976 2.806) 3.654 15.541 ( -6.976 6.843 1.781) 9.933 15.606 ( -9.189 4.013 -1.526) 10.142 15.995 ( -8.666 -5.686 2.111) 10.578 16.331 ( -11.242 -5.958 -1.965) 12.874 17.228 ( 0.502 0.398 -14.603) 14.617 17.355 ( -2.280 3.972 -0.214) 4.584 17.485 ( -0.733 0.798 -7.153) 7.234 19.240 ( -0.318 0.066 7.528) 7.535 19.826 ( 0.254 0.094 1.029) 1.064 ======================= Grid point 338 (112/324) ======================= q-point: (-0.59 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.063 ( -5.922 0.593 11.562) 13.004 4.618 ( -8.685 -0.910 1.388) 8.842 4.834 ( -1.778 -1.570 1.872) 3.021 5.048 ( -2.738 -0.453 -1.441) 3.127 5.223 ( -5.724 -0.899 -1.887) 6.094 5.402 ( 5.192 1.462 -5.001) 7.356 5.575 ( 0.849 0.678 -0.108) 1.092 6.283 ( -0.970 -0.971 -7.966) 8.083 7.627 ( -4.523 -0.229 1.471) 4.761 7.941 ( -9.177 -0.168 -2.553) 9.528 8.326 ( 7.378 -0.163 -1.055) 7.455 8.713 ( 8.101 0.616 -7.712) 11.201 9.079 ( -3.965 5.144 6.661) 9.303 9.689 ( -6.611 -3.024 -2.635) 7.733 11.065 ( -3.751 0.226 14.650) 15.124 11.474 ( -3.846 -0.479 4.361) 5.834 12.482 ( -1.714 -0.004 -0.901) 1.936 13.183 ( -3.562 -0.223 -5.705) 6.730 14.025 ( -7.378 -1.906 0.220) 7.624 14.154 ( -5.854 0.629 -0.902) 5.956 14.571 ( -0.970 -1.743 3.516) 4.042 15.442 ( -1.489 3.558 1.741) 4.232 15.566 ( 6.406 3.257 -1.109) 7.272 15.931 ( -1.102 -7.951 1.864) 8.241 16.215 ( -5.233 -10.969 -2.013) 12.319 17.250 ( 2.196 1.065 -16.159) 16.342 17.352 ( 4.307 4.015 0.170) 5.890 17.480 ( 0.770 0.787 -5.959) 6.060 19.234 ( -0.366 -0.158 7.300) 7.311 19.825 ( -0.398 0.039 0.856) 0.945 ======================= Grid point 339 (113/324) ======================= q-point: (-0.53 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.833 ( -16.706 2.825 11.619) 20.544 4.362 ( -18.683 -1.862 1.339) 18.823 4.808 ( -8.342 -2.714 0.474) 8.786 4.900 ( -6.707 -3.128 -0.098) 7.401 5.141 ( -5.481 -3.796 -1.292) 6.791 5.546 ( 11.005 5.036 -5.710) 13.382 5.607 ( 1.147 -3.519 -0.253) 3.709 6.237 ( -3.193 1.111 -7.209) 7.962 7.453 ( -12.933 1.845 1.134) 13.113 7.638 ( -22.859 -1.382 -1.023) 22.923 8.592 ( 19.593 -0.424 -2.279) 19.730 8.847 ( -13.425 4.572 4.538) 14.891 8.942 ( 12.059 2.686 -7.315) 14.358 9.449 ( -19.032 -1.044 -3.281) 19.340 10.917 ( -11.488 0.716 16.138) 19.822 11.365 ( -8.261 -1.442 5.527) 10.044 12.440 ( -3.056 -0.588 -1.302) 3.373 13.053 ( -10.481 -0.631 -5.642) 11.920 13.913 ( -5.449 -4.542 -0.321) 7.101 14.049 ( -5.046 -3.621 -1.186) 6.323 14.588 ( 2.327 -0.794 5.027) 5.596 15.405 ( -2.931 -4.890 2.044) 6.057 15.702 ( 6.123 -1.385 -1.652) 6.491 16.066 ( 10.281 -5.601 1.133) 11.763 16.319 ( 9.460 -12.500 -1.692) 15.767 17.292 ( 2.944 1.187 -17.567) 17.852 17.449 ( 7.012 3.049 -0.452) 7.660 17.509 ( 3.501 0.918 -3.981) 5.381 19.229 ( -0.285 -0.444 6.978) 6.998 19.813 ( -0.788 -0.008 0.479) 0.922 ======================= Grid point 340 (114/324) ======================= q-point: (-0.47 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.431 ( -22.696 6.115 12.276) 26.517 3.962 ( -24.474 -0.566 2.413) 24.599 4.513 ( -21.199 -7.910 -4.369) 23.045 4.913 ( 1.393 -1.281 2.125) 2.846 5.057 ( -6.504 -7.979 1.070) 10.350 5.612 ( -5.098 -7.289 -1.723) 9.060 5.714 ( 7.033 4.427 -7.313) 11.070 6.184 ( 0.371 3.484 -4.322) 5.563 7.108 ( -26.133 -0.742 -0.413) 26.147 7.199 ( -17.266 3.739 2.092) 17.789 8.419 ( -26.307 3.743 4.266) 26.912 8.905 ( -24.519 2.628 -3.271) 24.875 9.039 ( 25.349 -0.566 -4.844) 25.814 9.301 ( 11.910 2.375 -11.524) 16.742 10.642 ( -16.445 1.555 19.316) 25.416 11.192 ( -11.098 -2.395 8.137) 13.968 12.376 ( -4.210 -1.325 -2.074) 4.877 12.803 ( -16.496 -0.932 -5.638) 17.457 13.901 ( 1.085 -5.671 -0.611) 5.806 14.044 ( 1.611 -6.514 -1.248) 6.825 14.668 ( 5.611 -0.746 5.608) 7.968 15.403 ( -2.514 -12.300 2.460) 12.793 15.793 ( 0.851 -9.171 -2.477) 9.538 16.327 ( 13.406 -2.693 0.767) 13.695 16.664 ( 18.035 -8.530 -1.743) 20.027 17.345 ( 3.657 1.648 -16.164) 16.654 17.503 ( 1.227 1.793 -2.886) 3.613 17.644 ( 9.804 0.276 -3.345) 10.363 19.230 ( 0.008 -0.710 6.858) 6.895 19.798 ( -0.766 0.027 0.016) 0.767 ======================= Grid point 341 (115/324) ======================= q-point: (-0.41 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.932 ( -25.122 9.538 13.302) 29.984 3.466 ( -27.179 3.312 4.821) 27.801 4.167 ( -20.947 -10.284 -7.047) 24.376 4.877 ( -8.592 -6.029 -1.671) 10.629 5.042 ( -0.208 -7.378 5.087) 8.964 5.437 ( -20.097 -12.361 0.076) 23.594 5.630 ( -15.023 6.973 -12.385) 20.681 6.238 ( 4.556 4.245 4.851) 7.894 6.682 ( -14.217 -5.963 -2.539) 15.625 6.943 ( -5.683 10.617 1.807) 12.178 7.831 ( -34.073 2.476 3.137) 34.306 8.361 ( -27.929 3.469 -3.967) 28.422 9.459 ( 6.706 2.601 -14.479) 16.167 9.530 ( 20.980 0.039 -11.636) 23.991 10.330 ( -13.255 3.138 23.716) 27.349 10.999 ( -10.377 -2.966 13.381) 17.191 12.310 ( -3.626 -1.865 -3.054) 5.095 12.458 ( -20.540 -1.363 -5.386) 21.278 14.021 ( 7.982 -5.242 -0.563) 9.566 14.185 ( 8.530 -7.761 -0.985) 11.574 14.800 ( 7.862 -0.312 4.936) 9.289 15.462 ( -0.331 -15.815 3.026) 16.105 15.862 ( -0.728 -14.089 -3.032) 14.430 16.554 ( 9.056 -0.086 0.449) 9.067 17.007 ( 12.334 -5.278 -2.872) 13.720 17.387 ( 0.664 4.188 -4.679) 6.315 17.514 ( 2.764 1.860 -10.549) 11.062 17.839 ( 10.198 -2.633 -8.226) 13.364 19.241 ( 0.798 -1.066 7.566) 7.683 19.786 ( -0.417 0.145 -0.431) 0.617 ======================= Grid point 342 (116/324) ======================= q-point: (-0.35 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.396 ( -24.636 12.229 14.115) 30.915 2.922 ( -26.643 8.916 8.783) 29.436 3.867 ( -17.500 -10.089 -9.863) 22.479 4.589 ( -29.581 -4.218 -1.746) 29.931 5.036 ( -15.214 -5.187 -5.901) 17.123 5.096 ( -25.801 -7.697 -6.912) 27.798 5.199 ( -7.187 -2.565 9.428) 12.129 6.120 ( -14.157 2.716 11.562) 18.479 6.750 ( 9.747 -6.845 -7.543) 14.098 6.857 ( 2.710 10.810 -0.013) 11.144 7.144 ( -35.903 1.286 3.075) 36.058 7.917 ( -14.477 4.870 -5.930) 16.385 9.326 ( -16.274 2.264 -9.684) 19.072 9.861 ( 9.448 -0.565 -20.118) 22.233 10.181 ( -0.472 4.328 18.842) 19.339 10.891 ( -1.139 -2.582 21.852) 22.033 12.042 ( -22.828 -0.894 -5.288) 23.449 12.300 ( -0.072 -2.756 -3.292) 4.294 14.249 ( 13.133 -3.700 -0.150) 13.645 14.435 ( 12.674 -7.454 -0.107) 14.704 14.957 ( 9.124 1.437 3.041) 9.724 15.573 ( 2.159 -14.918 3.832) 15.552 15.938 ( -1.030 -16.917 -3.479) 17.302 16.637 ( -0.007 2.572 0.335) 2.594 17.169 ( 2.641 -3.516 -4.110) 6.019 17.294 ( -6.543 4.820 0.953) 8.183 17.577 ( 3.627 3.648 -11.393) 12.501 18.050 ( 9.756 -2.840 -17.348) 20.104 19.281 ( 2.671 -2.097 10.008) 10.568 19.781 ( 0.055 0.282 -0.773) 0.825 ======================= Grid point 343 (117/324) ======================= q-point: (-0.29 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.879 ( -21.993 13.962 13.981) 29.565 2.379 ( -23.293 15.007 14.421) 31.237 3.634 ( -13.139 -7.379 -12.443) 19.543 3.864 ( -43.684 6.066 1.918) 44.145 4.375 ( -37.108 2.593 -11.954) 39.072 4.983 ( -6.902 -12.255 -3.222) 14.430 5.235 ( 1.296 -8.138 12.795) 15.219 5.723 ( -26.366 -3.266 11.515) 28.956 6.379 ( -38.330 -1.127 -0.141) 38.347 6.851 ( 6.238 13.834 1.842) 15.287 7.122 ( 14.095 -10.095 -7.691) 18.967 7.803 ( 5.497 6.760 -6.848) 11.082 8.932 ( -21.800 2.822 -1.463) 22.031 9.869 ( -6.273 -1.156 -19.163) 20.196 10.162 ( -1.787 3.424 7.812) 8.715 11.014 ( 11.351 -1.312 22.493) 25.229 11.623 ( -22.082 -2.307 -3.884) 22.539 12.353 ( 3.946 -1.382 -3.309) 5.332 14.541 ( 15.923 -1.775 0.538) 16.030 14.718 ( 12.424 -5.431 1.931) 13.696 15.123 ( 10.374 3.217 0.389) 10.869 15.708 ( 4.055 -9.266 4.285) 10.984 16.029 ( -0.327 -17.835 -3.748) 18.227 16.517 ( -10.269 3.825 0.996) 11.004 17.110 ( -9.071 5.770 0.829) 10.783 17.169 ( -4.342 -1.690 -3.305) 5.713 17.567 ( -3.749 0.516 -12.381) 12.947 18.196 ( 4.848 2.360 -27.298) 27.826 19.376 ( 5.489 -4.662 13.999) 15.743 19.785 ( 0.564 0.357 -0.848) 1.079 ======================= Grid point 344 (118/324) ======================= q-point: (-0.24 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.413 ( -17.999 15.852 12.818) 27.195 1.877 ( -19.662 18.979 19.880) 33.794 2.963 ( -42.502 18.291 8.596) 47.062 3.461 ( -9.791 -3.177 -14.225) 17.559 3.713 ( -29.864 3.708 -13.090) 32.817 4.846 ( -17.263 -3.151 2.938) 17.792 5.226 ( -10.626 -12.789 3.160) 16.925 5.406 ( -5.871 -12.382 13.561) 19.279 5.716 ( -31.472 -4.084 2.190) 31.811 6.887 ( 6.595 15.466 1.859) 16.916 7.434 ( 10.977 -12.525 -9.094) 18.976 7.996 ( 19.417 9.782 -8.587) 23.377 8.536 ( -17.119 3.810 2.812) 17.762 9.727 ( -8.304 -1.341 -17.606) 19.513 10.060 ( -6.463 2.540 5.735) 9.006 11.147 ( -8.816 -0.440 -0.703) 8.855 11.369 ( 2.905 -4.298 16.178) 16.990 12.446 ( 5.179 0.185 -2.880) 5.929 14.852 ( 16.017 -0.340 1.368) 16.079 14.930 ( 8.177 -0.199 5.001) 9.588 15.321 ( 12.192 1.226 -2.128) 12.437 15.807 ( 2.736 2.866 3.730) 5.442 16.126 ( -0.732 -13.536 -3.773) 14.071 16.269 ( -12.262 -2.886 1.627) 12.702 16.879 ( -11.706 5.977 0.623) 13.158 17.043 ( -8.914 0.649 -2.106) 9.183 17.406 ( -16.333 -4.890 -19.331) 25.775 18.195 ( -0.482 9.959 -33.830) 35.269 19.537 ( 6.946 -8.897 16.692) 20.150 19.800 ( 1.424 0.006 0.305) 1.457 ======================= Grid point 345 (119/324) ======================= q-point: (-0.18 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.030 ( -10.722 19.760 13.153) 26.047 1.379 ( -22.659 19.702 16.995) 34.502 2.151 ( -24.731 31.345 24.927) 47.069 3.165 ( -17.988 4.761 -17.199) 25.338 3.395 ( -5.007 0.396 -13.519) 14.422 4.461 ( -18.836 -0.183 10.224) 21.432 5.100 ( -18.148 -5.482 -2.912) 19.180 5.247 ( -6.414 -14.528 -4.591) 16.531 5.571 ( 1.808 -18.029 22.194) 28.651 6.898 ( 4.451 16.313 1.713) 16.996 7.660 ( 4.750 -12.455 -8.985) 16.076 8.234 ( -3.998 5.087 -1.864) 6.733 8.437 ( 26.699 14.521 -13.154) 33.116 9.610 ( -4.113 -0.678 -16.418) 16.939 9.917 ( -6.903 1.517 5.204) 8.777 10.886 ( -14.871 -2.621 -6.582) 16.472 11.570 ( 10.538 -4.314 21.966) 24.742 12.528 ( 3.601 1.108 -2.462) 4.501 15.009 ( 3.448 3.604 6.947) 8.552 15.160 ( 15.704 2.123 2.226) 16.002 15.520 ( 5.895 -1.667 -3.047) 6.842 15.692 ( -8.693 11.126 2.924) 14.419 16.132 ( 0.187 -5.392 -1.752) 5.672 16.225 ( -1.534 -6.287 -0.221) 6.476 16.613 ( -13.202 4.012 -0.461) 13.806 16.872 ( -7.845 -1.066 -2.114) 8.194 16.948 ( -33.808 -0.398 -27.854) 43.806 18.095 ( -1.011 15.657 -32.420) 36.017 19.706 ( 3.258 -9.303 8.397) 12.948 19.867 ( 4.987 -7.531 11.039) 14.263 ======================= Grid point 346 (120/324) ======================= q-point: (-0.12 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.837 ( -0.000 21.089 17.822) 27.611 0.891 ( -0.000 26.531 12.018) 29.126 1.732 ( -0.000 33.512 40.652) 52.684 2.951 ( -0.000 5.398 -18.925) 19.679 3.350 ( -0.000 0.484 -13.643) 13.652 4.271 ( 0.000 -0.302 12.082) 12.086 4.901 ( 0.000 -2.311 -0.737) 2.426 5.301 ( 0.000 -14.317 -7.708) 16.260 5.734 ( 0.000 -24.185 24.936) 34.737 6.846 ( -0.000 15.728 2.355) 15.903 7.763 ( 0.000 -9.407 -7.244) 11.873 8.163 ( -0.000 2.102 0.361) 2.133 8.737 ( -0.000 23.082 -42.158) 48.063 9.592 ( 0.000 -0.201 -15.933) 15.935 9.823 ( 0.000 -0.147 6.784) 6.786 10.707 ( 0.000 -0.285 -3.097) 3.110 11.746 ( 0.000 -9.585 21.780) 23.795 12.558 ( -0.000 1.200 -2.541) 2.810 15.015 ( -0.000 4.878 8.051) 9.413 15.407 ( -0.000 6.233 4.933) 7.949 15.423 ( -0.000 3.373 0.448) 3.402 15.514 ( -0.000 3.675 -0.578) 3.720 16.181 ( -0.000 1.387 0.298) 1.419 16.230 ( -0.000 0.732 -0.247) 0.773 16.307 ( -0.000 10.434 -20.749) 23.224 16.545 ( -0.000 6.492 -3.001) 7.152 16.815 ( 0.000 -3.755 -2.587) 4.560 17.988 ( -0.000 16.703 -28.356) 32.910 19.760 ( 0.000 -3.073 -0.894) 3.201 20.043 ( 0.000 -22.668 18.331) 29.152 ======================= Grid point 351 (121/324) ======================= q-point: ( 0.18 0.18 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.191 ( 29.994 0.000 15.929) 33.961 3.901 ( 28.668 0.000 3.596) 28.892 4.902 ( 11.140 0.000 -2.550) 11.428 5.033 ( 3.225 0.000 -4.290) 5.367 5.303 ( -9.816 -0.000 -10.694) 14.516 5.679 ( 1.712 0.000 6.211) 6.442 5.752 ( -1.430 -0.000 -2.133) 2.568 6.106 ( -6.846 -0.000 -1.997) 7.131 6.896 ( 27.912 0.000 2.088) 27.990 7.278 ( 25.786 0.000 -2.634) 25.920 8.308 ( 29.550 0.000 4.777) 29.934 8.711 ( 23.252 0.000 -2.915) 23.435 9.061 ( -25.526 -0.000 -6.017) 26.226 9.170 ( -8.832 -0.000 -8.659) 12.368 10.584 ( 18.523 0.000 18.065) 25.873 11.288 ( 9.860 0.000 7.809) 12.578 12.509 ( 2.263 0.000 -2.841) 3.632 12.771 ( 16.489 0.000 -5.941) 17.527 14.159 ( -1.346 -0.000 0.043) 1.347 14.385 ( -4.853 -0.000 -1.809) 5.179 14.673 ( -4.064 -0.000 5.266) 6.652 16.159 ( -1.748 -0.000 1.832) 2.532 16.210 ( -16.207 -0.000 0.954) 16.235 16.330 ( -18.503 -0.000 -2.948) 18.736 16.682 ( -8.327 -0.000 -1.695) 8.498 17.238 ( 0.281 0.000 -8.876) 8.880 17.542 ( -1.046 -0.000 -9.227) 9.286 17.719 ( -12.630 -0.000 -5.409) 13.739 19.256 ( -0.646 -0.000 8.007) 8.033 19.799 ( 1.049 0.000 0.430) 1.133 ======================= Grid point 352 (122/324) ======================= q-point: ( 0.24 0.18 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.707 ( 23.734 -0.422 12.800) 26.968 4.364 ( 20.045 -0.393 2.875) 20.254 4.946 ( 0.931 0.570 1.423) 1.794 5.069 ( -11.156 0.901 -4.022) 11.893 5.236 ( 9.554 -1.298 -7.512) 12.223 5.588 ( -7.880 7.307 -0.242) 10.749 5.685 ( -6.232 -5.263 1.972) 8.392 6.111 ( 5.517 -0.464 -6.587) 8.605 7.351 ( 18.996 -0.537 1.553) 19.067 7.722 ( 19.828 0.396 -2.694) 20.015 8.617 ( -19.728 0.105 -2.920) 19.943 8.780 ( -7.472 -0.209 -6.220) 9.724 8.806 ( 20.209 0.422 4.770) 20.769 9.318 ( 17.980 -1.516 -2.582) 18.228 10.885 ( 12.916 -0.108 15.511) 20.185 11.439 ( 5.981 0.284 5.436) 8.087 12.530 ( 0.225 0.605 -2.000) 2.101 13.033 ( 11.075 -0.301 -6.018) 12.608 14.155 ( 0.564 0.982 0.005) 1.132 14.329 ( -0.964 1.962 -1.387) 2.589 14.601 ( -3.653 -0.637 4.193) 5.597 15.879 ( -15.133 5.460 1.467) 16.154 15.952 ( -19.082 2.079 -2.403) 19.345 16.086 ( -8.576 -3.656 2.035) 9.542 16.493 ( -12.340 -1.827 -1.657) 12.584 17.231 ( -0.540 -0.128 -12.842) 12.854 17.509 ( -7.181 1.588 -2.911) 7.909 17.519 ( -2.799 -0.015 -6.598) 7.167 19.248 ( -0.314 0.057 7.720) 7.727 19.817 ( 0.851 0.034 0.933) 1.263 ======================= Grid point 353 (123/324) ======================= q-point: ( 0.29 0.18 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.032 ( 9.750 -0.161 11.818) 15.322 4.629 ( 7.072 -0.436 2.179) 7.413 4.888 ( -6.692 -0.622 0.113) 6.722 5.009 ( 4.981 0.342 -1.289) 5.157 5.357 ( 1.223 1.189 -4.613) 4.919 5.377 ( -8.281 0.969 -1.938) 8.560 5.612 ( -2.811 0.353 0.697) 2.918 6.223 ( 4.438 -1.372 -7.980) 9.234 7.596 ( 6.864 -0.611 1.606) 7.076 7.971 ( 6.318 0.338 -2.823) 6.928 8.338 ( -8.494 0.113 -1.305) 8.595 8.657 ( -2.577 -0.529 -7.006) 7.483 9.106 ( 10.503 3.478 5.698) 12.445 9.598 ( 8.590 -3.390 -1.979) 9.444 11.054 ( 4.942 -0.045 14.506) 15.325 11.502 ( 0.868 0.182 4.364) 4.453 12.515 ( -1.278 0.480 -1.219) 1.830 13.177 ( 3.967 -0.177 -5.883) 7.098 14.131 ( -3.654 0.655 0.460) 3.741 14.288 ( -2.983 3.109 -1.133) 4.455 14.556 ( -1.787 -1.985 3.183) 4.155 15.627 ( -6.986 6.813 1.588) 9.887 15.651 ( -9.189 3.227 -1.501) 9.854 15.919 ( -11.338 -6.417 2.114) 13.198 16.263 ( -13.578 -4.700 -1.699) 14.469 17.233 ( 0.928 0.325 -15.207) 15.239 17.396 ( -2.235 2.539 -0.524) 3.423 17.493 ( -0.752 0.536 -6.484) 6.550 19.241 ( -0.409 0.032 7.608) 7.620 19.827 ( 0.235 0.060 1.058) 1.086 ======================= Grid point 354 (124/324) ======================= q-point: ( 0.35 0.18 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.069 ( -5.140 0.410 11.583) 12.679 4.609 ( -9.311 -0.706 1.280) 9.425 4.818 ( -1.524 -1.070 2.207) 2.887 5.041 ( -5.207 -0.500 -1.727) 5.509 5.215 ( -6.509 -0.453 -1.398) 6.673 5.416 ( 6.098 0.770 -5.678) 8.368 5.587 ( 0.321 1.047 0.239) 1.121 6.270 ( -0.174 -1.033 -8.187) 8.254 7.624 ( -3.784 -0.182 1.792) 4.191 7.940 ( -9.679 -0.098 -2.069) 9.898 8.324 ( 7.158 -0.098 -1.120) 7.245 8.718 ( 8.994 0.347 -7.860) 11.949 9.142 ( -3.812 5.099 5.689) 8.538 9.648 ( -5.827 -3.525 -2.170) 7.148 11.067 ( -3.552 0.164 14.714) 15.137 11.470 ( -4.303 -0.321 4.370) 6.141 12.483 ( -1.974 0.117 -0.946) 2.192 13.180 ( -3.773 -0.222 -5.623) 6.775 14.005 ( -8.947 -1.296 0.292) 9.045 14.164 ( -8.351 0.955 -1.331) 8.510 14.551 ( 0.065 -1.443 3.985) 4.239 15.499 ( -5.009 5.887 1.768) 7.929 15.615 ( 6.621 4.719 -0.952) 8.186 15.828 ( -0.555 -9.003 1.634) 9.167 16.083 ( -8.776 -10.560 -1.828) 13.851 17.261 ( 2.253 0.717 -17.435) 17.594 17.396 ( 3.924 3.166 -0.041) 5.042 17.489 ( 0.833 0.724 -4.745) 4.872 19.232 ( -0.509 -0.116 7.320) 7.338 19.825 ( -0.428 0.043 0.831) 0.936 ======================= Grid point 355 (125/324) ======================= q-point: (-0.59 0.18 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.864 ( -15.107 2.273 11.526) 19.137 4.339 ( -18.981 -1.836 0.893) 19.091 4.780 ( -13.296 -1.961 -0.447) 13.447 4.864 ( -3.440 -2.900 1.944) 4.901 5.107 ( -6.801 -1.833 -1.552) 7.212 5.547 ( 2.132 -3.209 -2.471) 4.577 5.623 ( 8.044 4.231 -3.691) 9.810 6.246 ( -2.017 0.394 -7.897) 8.160 7.474 ( -11.126 1.667 1.295) 11.325 7.623 ( -23.629 -1.142 -0.214) 23.657 8.588 ( 19.694 -0.318 -2.147) 19.813 8.903 ( -12.168 4.669 2.972) 13.368 8.970 ( 11.024 1.850 -6.886) 13.129 9.429 ( -18.194 -2.008 -2.984) 18.546 10.925 ( -11.149 0.573 16.326) 19.778 11.350 ( -8.752 -1.083 5.527) 10.408 12.437 ( -3.093 -0.033 -1.341) 3.371 13.044 ( -10.935 -0.836 -5.423) 12.234 13.865 ( -6.269 -3.388 -0.228) 7.129 14.012 ( -6.915 -2.489 -1.466) 7.494 14.582 ( 2.816 -0.230 5.391) 6.086 15.358 ( -7.931 -3.074 2.149) 8.773 15.698 ( 1.143 0.695 -1.721) 2.180 16.001 ( 12.589 -4.976 0.915) 13.568 16.168 ( 11.692 -12.297 -1.197) 17.010 17.304 ( 2.763 0.710 -19.260) 19.470 17.485 ( 5.936 2.848 -0.614) 6.613 17.521 ( 3.962 1.000 -2.462) 4.770 19.224 ( -0.442 -0.368 6.917) 6.941 19.813 ( -0.788 0.017 0.391) 0.880 ======================= Grid point 356 (126/324) ======================= q-point: (-0.53 0.18 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.501 ( -20.625 5.400 11.800) 24.368 3.950 ( -23.196 -1.380 1.620) 23.293 4.426 ( -22.811 -6.428 -3.115) 23.904 4.901 ( 1.821 -0.832 3.521) 4.050 4.976 ( -8.503 -5.380 -0.585) 10.080 5.507 ( -9.377 -8.711 0.348) 12.803 5.787 ( 9.128 6.359 -8.661) 14.099 6.214 ( 0.138 1.588 -6.644) 6.833 7.087 ( -30.366 -2.106 1.774) 30.491 7.256 ( -11.137 4.933 1.559) 12.280 8.462 ( -27.443 3.301 3.878) 27.912 8.930 ( -24.938 1.569 -3.036) 25.171 9.032 ( 25.388 -0.495 -4.492) 25.787 9.325 ( 13.700 1.720 -12.380) 18.545 10.660 ( -15.742 1.402 19.767) 25.308 11.165 ( -11.608 -2.060 8.133) 14.322 12.366 ( -4.340 -0.296 -2.133) 4.844 12.788 ( -16.904 -1.503 -5.356) 17.796 13.839 ( 1.194 -4.532 -0.646) 4.731 13.973 ( 0.676 -5.182 -1.424) 5.416 14.661 ( 5.477 -0.395 5.906) 8.065 15.269 ( -5.285 -9.833 2.432) 11.425 15.693 ( -2.386 -7.268 -2.429) 8.026 16.294 ( 14.937 -2.636 0.901) 15.195 16.558 ( 20.052 -8.700 -1.391) 21.903 17.361 ( 4.216 1.017 -18.333) 18.839 17.527 ( 1.291 2.021 -1.804) 3.001 17.651 ( 8.537 0.755 -2.454) 8.915 19.222 ( -0.144 -0.645 6.692) 6.725 19.798 ( -0.714 0.043 -0.089) 0.721 ======================= Grid point 357 (127/324) ======================= q-point: (-0.47 0.18 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.046 ( -22.932 9.225 11.963) 27.460 3.501 ( -24.117 2.360 3.997) 24.560 4.051 ( -21.370 -8.812 -5.169) 23.686 4.803 ( -11.038 -5.947 -1.221) 12.597 4.969 ( -0.041 -4.868 3.602) 6.056 5.288 ( -20.035 -12.259 1.528) 23.538 5.719 ( -15.872 7.921 -12.760) 21.852 6.277 ( 6.231 1.644 0.269) 6.450 6.610 ( -17.697 -5.505 1.646) 18.606 7.072 ( -3.162 10.436 1.247) 10.975 7.855 ( -35.235 1.616 3.110) 35.409 8.395 ( -27.722 2.354 -3.998) 28.107 9.485 ( 11.821 1.712 -13.250) 17.839 9.533 ( 15.405 0.553 -13.087) 20.221 10.369 ( -11.843 3.183 24.096) 27.037 10.963 ( -10.660 -3.000 13.479) 17.445 12.293 ( -3.386 -1.012 -3.013) 4.644 12.438 ( -21.272 -1.895 -5.271) 21.997 13.963 ( 8.896 -4.331 -0.886) 9.934 14.098 ( 8.594 -6.558 -1.161) 10.873 14.791 ( 7.876 -1.068 5.023) 9.402 15.282 ( -0.955 -13.854 2.937) 14.194 15.710 ( -1.703 -10.979 -2.718) 11.438 16.552 ( 10.759 -0.309 0.874) 10.799 16.929 ( 12.686 -7.159 -3.425) 14.964 17.432 ( 1.702 3.265 -5.380) 6.519 17.542 ( 4.307 2.576 -10.123) 11.299 17.810 ( 8.357 -2.148 -6.830) 11.004 19.229 ( 0.505 -0.976 7.150) 7.233 19.787 ( -0.335 0.140 -0.472) 0.595 ======================= Grid point 358 (128/324) ======================= q-point: (-0.41 0.18 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.550 ( -22.419 13.110 11.442) 28.380 3.030 ( -22.252 9.000 8.130) 25.343 3.750 ( -16.424 -9.163 -7.947) 20.417 4.527 ( -26.234 -5.872 -1.206) 26.910 4.905 ( -11.920 -12.800 -3.276) 17.795 5.036 ( -17.368 -5.367 -0.242) 18.180 5.206 ( -21.778 3.214 -0.498) 22.020 6.167 ( -15.746 4.813 11.331) 19.987 6.640 ( 8.578 -10.206 -9.543) 16.396 7.010 ( 3.731 13.448 1.211) 14.009 7.154 ( -37.206 0.475 3.092) 37.337 7.962 ( -14.429 2.714 -6.001) 15.861 9.354 ( -16.298 2.265 -9.831) 19.168 9.855 ( 9.401 -0.483 -19.818) 21.940 10.235 ( -0.631 4.572 18.881) 19.437 10.857 ( -0.753 -3.050 22.128) 22.350 12.025 ( -23.694 -1.929 -5.092) 24.312 12.273 ( 0.699 -1.691 -3.502) 3.951 14.208 ( 14.530 -2.980 -0.842) 14.856 14.352 ( 13.762 -6.255 -0.389) 15.122 14.963 ( 9.764 -0.536 2.453) 10.082 15.396 ( 3.761 -14.515 3.985) 15.515 15.757 ( -0.916 -12.787 -2.904) 13.145 16.671 ( 2.136 2.930 0.593) 3.674 17.104 ( 2.429 -6.608 -5.568) 8.976 17.346 ( -6.708 3.879 0.824) 7.792 17.630 ( 3.707 4.767 -9.178) 10.987 18.013 ( 11.333 -3.281 -15.653) 19.602 19.257 ( 1.789 -1.798 8.971) 9.322 19.784 ( 0.118 0.259 -0.683) 0.740 ======================= Grid point 359 (129/324) ======================= q-point: (-0.35 0.18 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.066 ( -19.283 16.906 10.247) 27.616 2.567 ( -19.094 16.210 12.975) 28.208 3.545 ( -10.905 -7.153 -10.891) 16.991 3.913 ( -37.617 1.812 0.782) 37.669 4.407 ( -36.527 2.433 -11.147) 38.267 4.827 ( -5.751 -13.338 -2.828) 14.798 5.137 ( -1.171 -7.969 11.913) 14.380 5.710 ( -29.366 0.866 11.933) 31.710 6.357 ( -38.838 -2.435 -0.278) 38.915 6.982 ( 10.934 -7.001 -6.291) 14.427 7.035 ( 7.360 10.654 -0.168) 12.950 7.866 ( 5.589 3.665 -6.920) 9.621 8.967 ( -21.138 2.913 -1.847) 21.418 9.858 ( -6.542 -0.737 -19.215) 20.311 10.201 ( -2.743 3.112 8.845) 9.769 10.995 ( 12.135 -1.871 22.877) 25.963 11.592 ( -23.313 -2.712 -4.138) 23.832 12.339 ( 5.038 -0.911 -3.548) 6.229 14.524 ( 17.379 -1.060 -0.471) 17.418 14.660 ( 14.910 -4.148 1.064) 15.512 15.155 ( 10.919 1.752 -0.746) 11.084 15.585 ( 7.830 -11.062 5.065) 14.469 15.834 ( 0.757 -14.186 -3.246) 14.573 16.581 ( -8.635 6.508 1.020) 10.861 17.121 ( -4.878 -5.612 -5.400) 9.190 17.170 ( -8.743 3.949 1.056) 9.651 17.585 ( -6.119 2.255 -9.803) 11.774 18.219 ( 8.744 1.494 -22.899) 24.558 19.324 ( 3.656 -3.924 12.274) 13.394 19.789 ( 0.528 0.302 -0.653) 0.893 ======================= Grid point 360 (130/324) ======================= q-point: (-0.29 0.18 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.638 ( -14.118 20.845 9.029) 26.746 2.115 ( -18.016 20.434 15.840) 31.513 3.168 ( -33.753 15.117 5.778) 37.432 3.424 ( -6.910 -2.881 -12.406) 14.490 3.759 ( -29.264 3.888 -12.166) 31.930 4.785 ( -9.940 -7.428 -0.271) 12.412 5.083 ( -16.571 -10.566 5.980) 20.543 5.265 ( -9.326 -10.543 15.941) 21.266 5.669 ( -34.433 -3.791 1.604) 34.678 7.075 ( 7.437 15.597 -0.267) 17.282 7.270 ( 9.177 -14.362 -8.722) 19.146 8.084 ( 19.302 4.649 -8.816) 21.724 8.583 ( -16.449 3.949 2.457) 17.094 9.713 ( -8.072 -1.033 -16.941) 18.794 10.085 ( -7.460 1.577 6.002) 9.704 11.140 ( -12.249 -0.786 -1.758) 12.399 11.316 ( 5.358 -4.267 17.573) 18.861 12.450 ( 6.085 0.428 -3.184) 6.881 14.853 ( 16.887 0.597 0.020) 16.898 14.933 ( 12.952 0.816 2.960) 13.311 15.346 ( 10.945 2.804 -2.475) 11.566 15.800 ( 9.816 -3.723 4.449) 11.402 15.966 ( 4.530 -12.773 -3.203) 13.926 16.296 ( -16.095 6.760 1.619) 17.532 16.935 ( -12.595 2.815 -1.078) 12.950 17.029 ( -9.166 -2.543 -1.966) 9.713 17.369 ( -17.159 -1.285 -15.090) 22.886 18.300 ( 3.013 7.583 -28.111) 29.272 19.438 ( 4.530 -7.501 15.449) 17.761 19.801 ( 0.902 0.058 -0.088) 0.908 ======================= Grid point 361 (131/324) ======================= q-point: (-0.24 0.18 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.302 ( -6.612 24.642 9.116) 27.093 1.630 ( -20.017 21.738 12.932) 32.256 2.527 ( -18.064 30.667 18.269) 40.007 3.227 ( -15.302 5.404 -16.258) 22.971 3.400 ( -5.170 0.393 -12.353) 13.397 4.455 ( -19.271 -0.868 9.503) 21.504 4.990 ( -6.001 -13.812 -2.918) 15.339 5.104 ( -17.482 -7.798 -0.505) 19.149 5.361 ( -1.977 -16.764 20.146) 26.283 7.096 ( 4.704 16.387 -0.927) 17.074 7.490 ( 4.421 -15.524 -9.108) 18.534 8.288 ( -6.350 4.196 -0.293) 7.617 8.548 ( 25.741 4.041 -13.257) 29.235 9.602 ( -3.792 -0.753 -15.759) 16.227 9.928 ( -8.133 0.345 5.110) 9.612 10.856 ( -14.243 -2.379 -5.041) 15.295 11.521 ( 8.950 -3.809 21.114) 23.247 12.542 ( 3.943 1.297 -2.790) 5.001 15.063 ( 7.101 5.364 2.742) 9.312 15.199 ( 17.419 4.306 2.031) 18.058 15.517 ( 7.542 1.264 -2.270) 7.977 15.845 ( -11.280 13.932 2.975) 18.171 16.067 ( 5.049 -5.441 -0.733) 7.459 16.153 ( 5.693 -5.802 -0.457) 8.141 16.652 ( -15.967 2.259 -2.135) 16.266 16.845 ( -11.299 -3.157 -1.392) 11.814 16.951 ( -25.430 0.910 -18.855) 31.670 18.264 ( 0.231 12.403 -29.986) 32.450 19.570 ( 3.165 -11.454 16.318) 20.187 19.824 ( 1.207 -1.441 2.302) 2.972 ======================= Grid point 362 (132/324) ======================= q-point: (-0.18 0.18 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.118 ( -0.000 25.043 12.477) 27.980 1.214 ( -0.000 26.844 8.718) 28.225 2.156 ( -0.000 36.162 28.866) 46.270 3.025 ( -0.000 6.874 -17.792) 19.074 3.359 ( -0.000 0.813 -13.153) 13.178 4.264 ( 0.000 -1.020 11.575) 11.619 4.870 ( 0.000 -2.793 -0.730) 2.887 5.109 ( 0.000 -17.200 -4.533) 17.787 5.470 ( 0.000 -20.318 22.479) 30.300 7.043 ( -0.000 16.670 -0.730) 16.685 7.619 ( 0.000 -14.229 -8.528) 16.589 8.197 ( -0.000 3.502 1.890) 3.980 8.883 ( -0.000 3.003 -33.094) 33.230 9.586 ( 0.000 -0.827 -15.385) 15.407 9.821 ( 0.000 -0.218 6.789) 6.792 10.703 ( 0.000 -0.373 -3.081) 3.104 11.650 ( 0.000 -6.596 22.304) 23.259 12.573 ( -0.000 1.336 -2.659) 2.976 15.092 ( -0.000 7.750 3.604) 8.547 15.471 ( -0.000 4.651 0.483) 4.677 15.506 ( -0.000 9.865 4.121) 10.691 15.566 ( -0.000 5.086 -0.591) 5.120 16.199 ( -0.000 1.684 0.228) 1.700 16.239 ( -0.000 0.774 -0.212) 0.803 16.372 ( -0.000 2.058 -13.089) 13.250 16.620 ( -0.000 5.118 -5.727) 7.681 16.764 ( 0.000 -4.499 -4.237) 6.180 18.181 ( -0.000 14.920 -30.096) 33.591 19.674 ( 0.000 -11.638 11.549) 16.396 19.863 ( 0.000 -6.828 8.807) 11.144 ======================= Grid point 369 (133/324) ======================= q-point: ( 0.24 0.24 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.031 ( 9.875 0.000 11.857) 15.430 4.626 ( 7.144 0.000 2.177) 7.468 4.884 ( -7.086 -0.000 -0.023) 7.086 5.012 ( 5.423 0.000 -1.106) 5.534 5.363 ( 3.191 0.000 -5.397) 6.270 5.385 ( -11.760 -0.000 -1.421) 11.846 5.614 ( -2.104 -0.000 0.972) 2.317 6.215 ( 4.550 0.000 -8.047) 9.244 7.592 ( 6.972 0.000 1.704) 7.177 7.973 ( 6.178 0.000 -2.726) 6.753 8.339 ( -8.530 -0.000 -1.344) 8.635 8.654 ( -2.331 -0.000 -6.974) 7.354 9.129 ( 11.001 0.000 5.326) 12.222 9.575 ( 8.513 0.000 -1.771) 8.695 11.054 ( 4.994 0.000 14.509) 15.345 11.503 ( 0.733 0.000 4.367) 4.428 12.518 ( -1.460 -0.000 -1.257) 1.926 13.176 ( 4.048 0.000 -5.879) 7.138 14.135 ( -4.187 -0.000 0.496) 4.216 14.308 ( -3.401 -0.000 -1.461) 3.702 14.542 ( -1.892 -0.000 3.479) 3.960 15.672 ( -9.047 -0.000 -1.586) 9.185 15.679 ( -5.904 -0.000 1.517) 6.096 15.870 ( -13.377 -0.000 2.199) 13.557 16.232 ( -14.459 -0.000 -1.597) 14.547 17.235 ( 1.056 0.000 -15.456) 15.492 17.412 ( -2.256 -0.000 -0.635) 2.344 17.497 ( -0.763 -0.000 -6.212) 6.258 19.241 ( -0.441 -0.000 7.640) 7.652 19.828 ( 0.228 0.000 1.069) 1.093 ======================= Grid point 370 (134/324) ======================= q-point: ( 0.29 0.24 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.072 ( -4.702 0.147 11.597) 12.515 4.603 ( -9.621 -0.267 1.224) 9.702 4.809 ( -1.296 -0.379 2.357) 2.716 5.037 ( -6.819 -0.189 -1.800) 7.055 5.212 ( -6.733 -0.139 -1.082) 6.820 5.421 ( 6.171 0.200 -6.266) 8.797 5.597 ( 0.344 0.494 0.590) 0.843 6.261 ( 0.307 -0.434 -8.357) 8.374 7.622 ( -3.317 -0.060 1.999) 3.874 7.939 ( -9.963 -0.036 -1.783) 10.121 8.324 ( 7.037 -0.032 -1.163) 7.132 8.721 ( 9.475 0.110 -7.945) 12.366 9.190 ( -3.993 2.301 5.019) 6.814 9.614 ( -5.213 -1.722 -1.810) 5.781 11.068 ( -3.444 0.060 14.752) 15.149 11.467 ( -4.544 -0.113 4.376) 6.309 12.484 ( -2.080 0.064 -0.981) 2.301 13.178 ( -3.925 -0.092 -5.572) 6.816 13.995 ( -9.770 -0.459 0.338) 9.786 14.173 ( -10.043 0.445 -1.646) 10.187 14.539 ( 1.062 -0.564 4.318) 4.482 15.574 ( -11.330 5.707 2.021) 12.846 15.667 ( 8.783 3.162 -0.759) 9.365 15.726 ( 4.227 -6.861 1.255) 8.156 15.981 ( -12.713 -5.287 -1.832) 13.890 17.267 ( 2.210 0.244 -18.150) 18.286 17.423 ( 3.649 1.189 -0.173) 3.842 17.495 ( 0.849 0.278 -4.048) 4.145 19.231 ( -0.589 -0.043 7.338) 7.362 19.825 ( -0.445 0.018 0.818) 0.932 ======================= Grid point 371 (135/324) ======================= q-point: (-0.65 0.24 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.886 ( -13.993 1.278 11.500) 18.157 4.321 ( -19.339 -1.118 0.590) 19.380 4.762 ( -18.174 -0.944 -1.328) 18.247 4.834 ( 0.280 -1.870 3.281) 3.787 5.094 ( -7.276 -0.587 -1.292) 7.413 5.513 ( -1.176 -2.067 -2.416) 3.390 5.665 ( 9.814 2.549 -3.928) 10.874 6.248 ( -1.263 0.057 -8.518) 8.611 7.491 ( -9.582 1.096 1.542) 9.766 7.611 ( -24.416 -0.739 0.277) 24.429 8.585 ( 19.727 -0.170 -2.043) 19.834 8.953 ( -8.789 3.421 0.713) 9.458 8.985 ( 7.263 0.590 -5.546) 9.157 9.406 ( -17.247 -1.663 -2.672) 17.532 10.930 ( -10.915 0.320 16.463) 19.755 11.340 ( -9.079 -0.578 5.519) 10.641 12.438 ( -2.979 0.146 -1.411) 3.300 13.035 ( -11.366 -0.594 -5.238) 12.530 13.834 ( -6.769 -1.804 -0.157) 7.007 13.990 ( -8.227 -1.274 -1.637) 8.485 14.581 ( 3.246 0.065 5.620) 6.491 15.331 ( -11.828 -1.448 2.238) 12.124 15.717 ( -5.450 2.093 -1.964) 6.159 15.953 ( 14.785 -2.899 0.744) 15.085 16.038 ( 16.501 -8.698 -0.686) 18.665 17.310 ( 2.605 0.309 -20.267) 20.436 17.514 ( 4.635 1.829 -0.900) 5.063 17.530 ( 4.734 0.460 -1.408) 4.961 19.221 ( -0.554 -0.210 6.892) 6.918 19.813 ( -0.791 0.017 0.334) 0.858 ======================= Grid point 372 (136/324) ======================= q-point: (-0.59 0.24 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.557 ( -18.930 3.799 11.691) 22.571 3.932 ( -22.303 -1.400 0.799) 22.361 4.361 ( -23.951 -4.250 -2.146) 24.419 4.888 ( 2.535 -1.662 4.326) 5.282 4.934 ( -10.111 -1.517 -1.524) 10.337 5.415 ( -11.872 -6.346 0.621) 13.476 5.856 ( 10.667 4.828 -8.117) 14.247 6.224 ( -1.133 0.172 -9.104) 9.176 7.065 ( -31.812 -1.463 3.873) 32.080 7.308 ( -8.132 3.563 1.067) 8.942 8.496 ( -28.879 2.229 3.559) 29.183 8.944 ( -25.041 0.771 -2.828) 25.212 9.027 ( 25.495 -0.342 -4.217) 25.844 9.342 ( 15.134 1.006 -13.017) 19.987 10.675 ( -15.147 0.988 20.166) 25.240 11.144 ( -12.070 -1.397 8.075) 14.589 12.367 ( -4.332 0.301 -2.293) 4.911 12.770 ( -17.320 -1.439 -5.046) 18.098 13.794 ( 1.353 -2.895 -0.650) 3.261 13.921 ( -0.042 -3.347 -1.532) 3.682 14.658 ( 5.050 -0.080 6.109) 7.927 15.171 ( -7.442 -6.399 2.360) 10.094 15.621 ( -4.606 -4.696 -2.389) 6.998 16.266 ( 16.201 -1.863 1.017) 16.339 16.466 ( 21.699 -6.338 -1.065) 22.631 17.370 ( 4.594 0.512 -19.720) 20.255 17.549 ( 1.310 1.472 -1.250) 2.333 17.660 ( 7.526 0.707 -1.857) 7.783 19.215 ( -0.257 -0.455 6.598) 6.619 19.798 ( -0.681 0.037 -0.167) 0.702 ======================= Grid point 373 (137/324) ======================= q-point: (-0.53 0.24 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.148 ( -20.770 7.619 11.636) 24.997 3.522 ( -21.196 1.179 2.514) 21.378 3.959 ( -21.594 -6.430 -3.279) 22.768 4.743 ( -11.962 -3.906 -1.642) 12.690 4.924 ( -1.608 -2.584 2.882) 4.192 5.148 ( -20.339 -10.792 2.509) 23.161 5.819 ( -16.914 8.672 -12.926) 22.986 6.265 ( 6.775 -3.825 -6.226) 9.964 6.563 ( -19.008 -2.115 8.013) 20.737 7.186 ( -0.800 8.326 0.720) 8.395 7.869 ( -36.413 0.789 3.088) 36.553 8.418 ( -27.852 1.381 -3.943) 28.163 9.498 ( 19.677 0.566 -10.871) 22.487 9.543 ( 7.255 1.053 -15.589) 17.227 10.405 ( -10.471 2.692 24.517) 26.795 10.929 ( -11.111 -2.543 13.426) 17.612 12.286 ( -3.661 -0.131 -3.168) 4.843 12.414 ( -21.486 -2.056 -5.004) 22.157 13.919 ( 9.787 -2.965 -1.126) 10.288 14.030 ( 8.770 -4.739 -1.342) 10.059 14.775 ( 7.102 -1.435 5.160) 8.895 15.135 ( -1.746 -10.451 2.656) 10.924 15.602 ( -1.544 -7.111 -2.338) 7.643 16.548 ( 12.417 -0.253 1.406) 12.499 16.846 ( 13.055 -6.414 -3.685) 15.005 17.465 ( 2.552 2.180 -6.219) 7.066 17.571 ( 5.784 2.218 -10.357) 12.068 17.788 ( 6.191 -1.544 -5.260) 8.269 19.218 ( 0.312 -0.753 6.872) 6.920 19.789 ( -0.274 0.110 -0.507) 0.587 ======================= Grid point 374 (138/324) ======================= q-point: (-0.47 0.24 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.704 ( -19.845 12.283 10.751) 25.696 3.132 ( -17.557 7.793 6.060) 20.142 3.652 ( -15.350 -7.046 -5.433) 17.743 4.456 ( -25.395 -5.398 -0.581) 25.969 4.754 ( -14.559 -12.144 -4.036) 19.384 4.966 ( -10.296 -5.822 3.459) 12.324 5.258 ( -28.791 4.976 -4.276) 29.529 6.228 ( -16.423 5.086 10.763) 20.283 6.516 ( 7.769 -10.218 -10.302) 16.459 7.148 ( -28.061 2.092 7.834) 29.209 7.176 ( -5.125 10.163 -3.538) 11.919 7.982 ( -15.249 0.670 -5.871) 16.354 9.379 ( -16.332 1.913 -9.989) 19.240 9.849 ( 9.514 -0.363 -19.453) 21.658 10.289 ( -0.967 4.261 18.932) 19.430 10.819 ( -0.444 -3.126 22.275) 22.498 11.998 ( -24.021 -2.490 -4.713) 24.605 12.260 ( 0.946 -0.613 -3.872) 4.033 14.179 ( 15.956 -1.861 -1.499) 16.134 14.287 ( 15.077 -4.549 -0.746) 15.766 14.944 ( 9.590 -2.517 2.201) 10.156 15.231 ( 4.500 -12.658 3.566) 13.900 15.636 ( 0.328 -7.407 -2.031) 7.688 16.705 ( 4.526 2.805 1.108) 5.439 17.021 ( 2.383 -6.921 -6.328) 9.676 17.386 ( -6.968 2.757 0.730) 7.529 17.687 ( 3.103 4.624 -7.878) 9.647 17.972 ( 12.914 -3.472 -14.470) 19.703 19.238 ( 1.190 -1.361 8.177) 8.374 19.787 ( 0.163 0.210 -0.614) 0.669 ======================= Grid point 375 (139/324) ======================= q-point: (-0.41 0.24 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.274 ( -16.284 17.290 9.487) 25.576 2.763 ( -14.654 16.276 9.975) 24.065 3.467 ( -8.808 -5.729 -8.286) 13.382 3.905 ( -33.059 -3.039 0.027) 33.198 4.427 ( -34.622 0.469 -10.644) 36.225 4.676 ( -6.325 -11.211 -2.548) 13.122 5.049 ( -4.011 -6.511 10.850) 13.274 5.738 ( -31.376 3.562 11.468) 33.595 6.320 ( -37.975 -3.672 -1.512) 38.182 6.858 ( 7.649 -10.320 -5.362) 13.920 7.206 ( 7.362 14.526 -0.466) 16.291 7.889 ( 4.829 0.172 -6.631) 8.205 9.000 ( -20.597 2.597 -2.208) 20.878 9.851 ( -6.733 -0.427 -19.288) 20.434 10.236 ( -4.182 2.589 10.061) 11.199 10.970 ( 12.903 -2.157 22.907) 26.379 11.559 ( -23.898 -2.730 -4.175) 24.413 12.331 ( 5.865 -0.370 -3.861) 7.032 14.517 ( 18.956 -0.040 -1.642) 19.027 14.621 ( 17.620 -2.284 0.451) 17.773 15.159 ( 11.879 -1.193 -1.802) 12.074 15.447 ( 10.268 -11.849 4.660) 16.357 15.701 ( 1.929 -7.779 -1.792) 8.212 16.665 ( -5.937 7.127 0.992) 9.329 17.043 ( -4.413 -6.904 -6.006) 10.160 17.208 ( -9.804 2.311 1.026) 10.125 17.615 ( -7.826 2.539 -8.382) 11.745 18.232 ( 11.896 0.646 -19.115) 22.523 19.283 ( 2.325 -2.920 10.693) 11.325 19.792 ( 0.488 0.252 -0.495) 0.739 ======================= Grid point 376 (140/324) ======================= q-point: (-0.35 0.24 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.898 ( -11.138 21.921 8.511) 26.020 2.363 ( -16.912 20.793 11.544) 29.183 3.303 ( -21.439 6.151 -1.687) 22.368 3.403 ( -7.697 0.408 -5.404) 9.414 3.805 ( -28.501 3.599 -11.381) 30.900 4.670 ( -3.798 -11.112 -1.811) 11.882 4.972 ( -16.759 -8.587 7.490) 20.266 5.168 ( -18.836 -5.014 16.368) 25.453 5.625 ( -35.654 -3.489 1.247) 35.846 7.093 ( 7.601 -14.311 -8.347) 18.228 7.261 ( 7.488 14.744 -1.544) 16.609 8.107 ( 17.079 -0.645 -8.122) 18.923 8.629 ( -16.041 3.561 2.077) 16.562 9.702 ( -8.023 -0.753 -16.449) 18.316 10.098 ( -8.801 0.570 6.782) 11.125 11.128 ( -15.915 -1.133 -2.889) 16.214 11.269 ( 8.807 -3.510 18.631) 20.904 12.457 ( 6.890 0.646 -3.513) 7.761 14.868 ( 18.431 1.934 -1.704) 18.610 14.952 ( 17.496 2.331 1.776) 17.740 15.380 ( 11.396 2.471 -3.669) 12.225 15.733 ( 13.184 -7.172 5.114) 15.856 15.828 ( 7.193 -9.714 -2.835) 12.415 16.407 ( -14.989 10.865 1.794) 18.600 16.925 ( -12.210 -4.508 -6.122) 14.384 17.011 ( -10.259 0.087 2.349) 10.525 17.369 ( -17.443 0.910 -12.025) 21.205 18.377 ( 5.552 5.314 -23.012) 24.261 19.359 ( 2.839 -5.645 13.580) 14.978 19.802 ( 0.657 0.111 -0.134) 0.680 ======================= Grid point 377 (141/324) ======================= q-point: (-0.29 0.24 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.603 ( -4.859 25.156 8.483) 26.989 1.891 ( -18.434 21.399 9.635) 29.842 2.872 ( -11.096 26.215 10.847) 30.463 3.289 ( -11.070 4.753 -14.781) 19.069 3.407 ( -6.930 1.092 -10.189) 12.371 4.440 ( -20.083 -1.546 8.756) 21.963 4.804 ( -2.606 -15.966 -0.320) 16.180 5.031 ( -16.867 -5.699 1.580) 17.874 5.176 ( -7.692 -13.423 16.803) 22.840 7.276 ( 4.136 3.455 -4.787) 7.208 7.307 ( 4.364 -4.615 -6.716) 9.244 8.334 ( -5.456 3.120 -1.549) 6.473 8.545 ( 18.930 -3.772 -8.837) 21.229 9.592 ( -3.787 -0.839 -15.208) 15.695 9.926 ( -8.991 -0.671 5.715) 10.675 10.831 ( -13.319 -1.761 -4.044) 14.030 11.480 ( 8.205 -3.048 19.760) 21.612 12.559 ( 4.293 1.466 -3.133) 5.513 15.135 ( 11.461 6.609 -1.403) 13.304 15.262 ( 18.836 6.146 1.947) 19.909 15.547 ( 8.776 3.460 -2.177) 9.681 15.999 ( -1.400 -3.574 0.200) 3.844 16.020 ( -2.636 12.609 3.045) 13.237 16.084 ( 11.420 -5.667 -1.304) 12.816 16.658 ( -17.764 -1.647 -5.427) 18.647 16.808 ( -12.004 -2.494 2.488) 12.510 16.967 ( -22.461 1.695 -14.367) 26.717 18.393 ( 1.372 9.159 -25.683) 27.301 19.448 ( 1.913 -8.761 15.784) 18.154 19.814 ( 0.567 -0.377 0.603) 0.910 ======================= Grid point 378 (142/324) ======================= q-point: (-0.24 0.24 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.424 ( -0.000 25.590 10.847) 27.794 1.527 ( -0.000 25.065 6.769) 25.963 2.582 ( -0.000 34.277 18.417) 38.912 3.111 ( -0.000 7.247 -16.504) 18.025 3.368 ( -0.000 0.635 -11.558) 11.575 4.245 ( 0.000 -2.168 11.083) 11.293 4.837 ( 0.000 -2.623 -0.802) 2.743 4.901 ( 0.000 -17.111 -1.468) 17.174 5.240 ( 0.000 -18.220 20.022) 27.071 7.238 ( -0.000 15.540 -2.463) 15.734 7.433 ( 0.000 -16.349 -9.051) 18.687 8.243 ( -0.000 3.986 1.991) 4.456 8.845 ( 0.000 -8.196 -22.632) 24.070 9.573 ( 0.000 -1.347 -14.808) 14.869 9.818 ( 0.000 -0.273 6.798) 6.803 10.698 ( 0.000 -0.407 -3.064) 3.091 11.585 ( 0.000 -4.440 20.738) 21.208 12.591 ( -0.000 1.618 -2.907) 3.327 15.196 ( -0.000 9.332 -0.603) 9.351 15.532 ( -0.000 5.433 0.529) 5.458 15.634 ( -0.000 5.997 -0.609) 6.028 15.635 ( -0.000 11.374 3.499) 11.900 16.220 ( -0.000 1.630 0.140) 1.636 16.247 ( -0.000 0.528 -0.164) 0.553 16.377 ( 0.000 -1.059 -10.216) 10.271 16.658 ( -0.000 0.660 1.646) 1.773 16.716 ( 0.000 -2.633 -10.300) 10.631 18.340 ( -0.000 11.543 -27.430) 29.760 19.528 ( 0.000 -11.225 16.691) 20.115 19.825 ( 0.000 -1.272 1.817) 2.218 ======================= Grid point 387 (143/324) ======================= q-point: (-0.71 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.894 ( -13.590 -0.000 11.499) 17.802 4.314 ( -19.496 -0.000 0.481) 19.502 4.757 ( -20.623 -0.000 -1.774) 20.700 4.822 ( 2.294 0.000 3.821) 4.457 5.091 ( -7.342 -0.000 -1.097) 7.424 5.500 ( -2.095 -0.000 -2.556) 3.305 5.681 ( 10.153 0.000 -3.866) 10.864 6.248 ( -1.008 -0.000 -8.773) 8.831 7.498 ( -8.863 -0.000 1.680) 9.021 7.606 ( -24.857 -0.000 0.413) 24.860 8.584 ( 19.733 0.000 -2.003) 19.835 8.981 ( -18.574 -0.000 4.243) 19.053 8.982 ( 16.750 0.000 -9.435) 19.224 9.395 ( -16.776 -0.000 -2.534) 16.966 10.932 ( -10.831 -0.000 16.514) 19.749 11.336 ( -9.194 -0.000 5.515) 10.721 12.439 ( -2.908 -0.000 -1.446) 3.247 13.031 ( -11.547 -0.000 -5.165) 12.649 13.823 ( -6.937 -0.000 -0.132) 6.938 13.982 ( -8.698 -0.000 -1.692) 8.861 14.582 ( 3.416 0.000 5.698) 6.643 15.322 ( -13.332 -0.000 2.274) 13.525 15.734 ( -10.620 -0.000 -2.220) 10.849 15.935 ( 15.676 0.000 0.701) 15.692 15.980 ( 21.077 0.000 -0.363) 21.080 17.311 ( 2.547 0.000 -20.588) 20.745 17.527 ( 2.156 0.000 -1.541) 2.650 17.531 ( 7.007 0.000 -0.532) 7.027 19.220 ( -0.594 -0.000 6.887) 6.912 19.813 ( -0.792 -0.000 0.314) 0.852 ======================= Grid point 389 (144/324) ======================= q-point: (-0.65 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.589 ( -17.929 1.390 11.794) 21.506 3.919 ( -21.901 -0.592 0.223) 21.910 4.327 ( -24.545 -1.494 -1.641) 24.646 4.869 ( 0.453 -0.942 2.740) 2.933 4.929 ( -8.229 0.066 0.064) 8.229 5.361 ( -13.440 -2.387 0.640) 13.665 5.897 ( 12.199 1.871 -7.471) 14.426 6.223 ( -2.650 -0.180 -10.861) 11.181 7.053 ( -32.367 -0.500 5.135) 32.776 7.338 ( -6.644 1.286 0.804) 6.815 8.514 ( -29.884 0.782 3.383) 30.086 8.950 ( -25.004 0.227 -2.715) 25.152 9.024 ( 25.628 -0.123 -4.068) 25.949 9.350 ( 15.906 0.326 -13.350) 20.768 10.683 ( -14.800 0.358 20.407) 25.212 11.133 ( -12.352 -0.495 8.017) 14.734 12.371 ( -4.260 0.220 -2.436) 4.912 12.757 ( -17.612 -0.606 -4.828) 18.271 13.771 ( 1.469 -0.991 -0.645) 1.886 13.894 ( -0.431 -1.159 -1.574) 2.001 14.658 ( 4.671 0.015 6.211) 7.771 15.119 ( -8.630 -2.228 2.295) 9.204 15.583 ( -5.692 -1.627 -2.363) 6.374 16.251 ( 16.913 -0.667 1.084) 16.961 16.413 ( 22.631 -2.309 -0.879) 22.766 17.374 ( 4.779 0.151 -20.373) 20.927 17.561 ( 1.311 0.530 -1.015) 1.741 17.666 ( 6.972 0.279 -1.587) 7.155 19.211 ( -0.318 -0.164 6.558) 6.567 19.799 ( -0.665 0.015 -0.209) 0.697 ======================= Grid point 390 (145/324) ======================= q-point: (-0.59 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.222 ( -19.045 4.500 12.208) 23.065 3.530 ( -19.168 0.270 0.757) 19.185 3.900 ( -21.651 -3.422 -1.936) 22.005 4.711 ( -11.659 -1.545 -2.931) 12.120 4.909 ( -2.947 0.109 3.742) 4.764 5.035 ( -21.647 -7.790 2.714) 23.166 5.924 ( -19.443 8.468 -13.357) 25.063 6.194 ( 6.041 -7.202 -9.441) 13.323 6.554 ( -16.794 0.106 11.568) 20.393 7.265 ( 0.927 4.622 0.362) 4.728 7.875 ( -37.255 0.268 3.027) 37.378 8.429 ( -28.131 0.620 -3.863) 28.401 9.502 ( 23.239 0.113 -9.651) 25.164 9.554 ( 3.550 0.719 -16.852) 17.237 10.431 ( -9.411 1.581 24.901) 26.667 10.904 ( -11.580 -1.500 13.269) 17.675 12.288 ( -3.876 0.343 -3.446) 5.198 12.392 ( -21.647 -1.515 -4.660) 22.195 13.892 ( 10.476 -1.465 -1.266) 10.653 13.986 ( 8.952 -2.485 -1.473) 9.407 14.760 ( 6.108 -1.028 5.343) 8.180 15.037 ( -2.474 -5.697 2.297) 6.622 15.539 ( -0.829 -3.342 -2.023) 3.993 16.546 ( 13.664 -0.094 1.927) 13.799 16.783 ( 13.263 -3.767 -3.882) 14.324 17.484 ( 3.178 1.077 -6.952) 7.719 17.592 ( 6.997 1.266 -10.896) 13.011 17.774 ( 4.276 -0.827 -3.834) 5.802 19.211 ( 0.206 -0.412 6.720) 6.736 19.790 ( -0.238 0.061 -0.530) 0.584 ======================= Grid point 391 (146/324) ======================= q-point: (-0.53 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.835 ( -17.570 9.156 11.909) 23.116 3.212 ( -13.173 5.217 2.719) 14.427 3.583 ( -14.376 -4.360 -2.986) 15.316 4.407 ( -27.363 -2.487 0.046) 27.475 4.619 ( -14.807 -10.123 -4.285) 18.442 4.904 ( -8.381 -4.280 3.594) 10.073 5.316 ( -31.904 4.444 -4.878) 32.579 6.282 ( -16.482 3.793 10.217) 19.759 6.404 ( 7.711 -7.967 -10.935) 15.573 7.145 ( -38.275 -0.646 5.762) 38.712 7.306 ( 5.979 9.351 -1.622) 11.217 7.981 ( -16.820 -0.601 -5.623) 17.745 9.398 ( -16.360 1.266 -10.134) 19.286 9.846 ( 9.665 -0.216 -19.094) 21.402 10.334 ( -1.349 3.189 19.001) 19.314 10.785 ( -0.203 -2.515 22.296) 22.438 11.969 ( -24.026 -2.046 -4.359) 24.504 12.256 ( 0.891 -0.065 -4.202) 4.296 14.164 ( 17.251 -0.757 -1.983) 17.381 14.244 ( 16.300 -2.725 -1.167) 16.567 14.910 ( 8.925 -2.765 2.615) 9.702 15.099 ( 4.428 -9.031 2.712) 10.417 15.575 ( 2.141 -3.085 -1.337) 3.986 16.737 ( 6.673 2.313 2.047) 7.354 16.946 ( 2.254 -5.415 -7.085) 9.198 17.412 ( -7.282 1.633 0.650) 7.491 17.738 ( 1.539 3.890 -6.910) 8.078 17.931 ( 15.011 -3.243 -14.024) 20.797 19.225 ( 0.842 -0.847 7.664) 7.757 19.789 ( 0.192 0.137 -0.565) 0.612 ======================= Grid point 392 (147/324) ======================= q-point: (-0.47 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.468 ( -13.880 14.450 11.177) 22.943 2.952 ( -9.540 14.801 5.500) 18.448 3.411 ( -7.008 -3.589 -4.943) 9.296 3.846 ( -31.575 -6.449 -0.060) 32.227 4.405 ( -26.434 -4.208 -10.397) 28.715 4.575 ( -12.674 -5.245 -2.731) 13.986 4.985 ( -7.360 -4.008 9.670) 12.796 5.788 ( -32.356 4.384 10.837) 34.403 6.270 ( -35.536 -4.481 -3.820) 36.021 6.748 ( 3.378 -7.683 -2.985) 8.908 7.373 ( 7.655 13.223 -1.215) 15.327 7.871 ( 3.260 -3.021 -6.148) 7.586 9.028 ( -20.209 1.936 -2.499) 20.454 9.847 ( -6.858 -0.222 -19.276) 20.461 10.263 ( -5.806 1.866 11.173) 12.729 10.945 ( 13.623 -1.940 22.620) 26.477 11.529 ( -23.894 -2.230 -4.036) 24.335 12.329 ( 6.372 -0.010 -4.171) 7.616 14.523 ( 20.576 1.019 -2.679) 20.775 14.603 ( 20.233 -0.803 -0.282) 20.251 15.130 ( 12.581 -3.159 -1.527) 13.061 15.308 ( 11.280 -10.833 3.299) 15.983 15.644 ( 3.492 -2.121 -0.507) 4.117 16.746 ( -3.204 6.238 0.677) 7.045 16.963 ( -4.033 -6.150 -5.542) 9.208 17.227 ( -11.066 0.929 0.932) 11.144 17.643 ( -8.946 2.020 -7.810) 12.046 18.236 ( 14.212 0.095 -16.241) 21.581 19.254 ( 1.472 -1.889 9.474) 9.772 19.795 ( 0.463 0.187 -0.368) 0.620 ======================= Grid point 393 (148/324) ======================= q-point: (-0.41 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.149 ( -9.271 19.347 10.519) 23.894 2.609 ( -16.964 20.011 7.171) 27.196 3.320 ( -7.549 -0.930 -7.645) 10.784 3.424 ( -11.103 0.823 1.239) 11.202 3.842 ( -27.474 2.494 -11.052) 29.719 4.536 ( -2.057 -10.510 -2.093) 10.912 4.870 ( -13.405 -8.107 7.728) 17.468 5.145 ( -27.812 0.686 15.613) 31.902 5.585 ( -35.830 -3.196 0.542) 35.977 6.930 ( 6.324 -12.373 -7.873) 15.971 7.433 ( 7.214 13.830 -2.268) 15.763 8.072 ( 13.926 -5.099 -6.899) 16.356 8.667 ( -15.855 2.795 1.725) 16.192 9.695 ( -8.105 -0.524 -16.065) 18.002 10.100 ( -10.140 -0.085 7.696) 12.730 11.114 ( -18.554 -1.252 -3.569) 18.936 11.234 ( 11.845 -2.414 18.939) 22.468 12.465 ( 7.523 0.709 -3.823) 8.469 14.900 ( 20.509 3.342 -3.279) 21.036 14.986 ( 21.075 3.277 0.790) 21.343 15.397 ( 13.586 0.058 -4.474) 14.304 15.631 ( 15.868 -9.378 3.224) 18.711 15.747 ( 6.923 -3.626 -0.454) 7.828 16.541 ( -12.741 10.966 1.382) 16.867 16.857 ( -11.372 -5.937 -5.894) 14.118 17.010 ( -11.800 -0.725 2.883) 12.168 17.384 ( -17.517 1.474 -10.438) 20.444 18.429 ( 7.412 3.362 -18.864) 20.545 19.302 ( 1.737 -3.812 11.753) 12.477 19.803 ( 0.538 0.134 -0.048) 0.556 ======================= Grid point 394 (149/324) ======================= q-point: (-0.35 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.894 ( -4.257 22.814 10.176) 25.340 2.135 ( -18.065 19.119 6.932) 27.202 3.138 ( -3.892 17.405 1.606) 17.907 3.338 ( -5.372 3.643 -10.316) 12.188 3.432 ( -10.554 2.964 -8.203) 13.692 4.420 ( -21.296 -1.805 7.765) 22.740 4.622 ( -2.238 -14.000 1.022) 14.215 4.945 ( -7.500 -8.602 10.284) 15.362 5.059 ( -18.854 -5.883 7.291) 21.054 7.104 ( 3.311 -14.938 -9.020) 17.761 7.463 ( 4.488 13.916 -3.081) 14.943 8.348 ( 1.542 -2.218 -6.660) 7.187 8.484 ( 6.009 -4.664 -0.321) 7.613 9.582 ( -4.006 -0.847 -14.784) 15.341 9.915 ( -9.210 -1.013 6.449) 11.289 10.813 ( -12.470 -1.154 -3.529) 13.011 11.448 ( 7.910 -2.274 18.383) 20.142 12.577 ( 4.639 1.466 -3.464) 5.972 15.218 ( 15.222 7.089 -4.589) 17.408 15.343 ( 20.148 7.202 1.512) 21.450 15.593 ( 9.700 4.032 -2.636) 10.831 15.935 ( 9.771 -5.493 1.271) 11.281 16.018 ( 16.428 -5.300 -2.178) 17.399 16.190 ( -12.947 13.756 2.478) 19.052 16.615 ( -17.603 -4.993 -6.940) 19.569 16.787 ( -12.584 -1.463 5.847) 13.953 16.989 ( -21.979 1.794 -12.311) 25.255 18.485 ( 2.290 6.359 -21.382) 22.425 19.360 ( 1.143 -6.048 13.795) 15.106 19.812 ( 0.386 -0.061 0.305) 0.495 ======================= Grid point 395 (150/324) ======================= q-point: (-0.29 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.724 ( -0.000 24.049 11.458) 26.639 1.810 ( -0.000 21.945 5.481) 22.619 2.961 ( -0.000 28.184 7.998) 29.297 3.195 ( -0.000 6.566 -15.264) 16.617 3.377 ( -0.000 1.179 -7.836) 7.924 4.211 ( 0.000 -3.373 10.770) 11.286 4.706 ( 0.000 -15.181 0.327) 15.184 4.809 ( 0.000 -1.950 -0.994) 2.189 5.036 ( 0.000 -15.586 18.511) 24.199 7.229 ( 0.000 -16.098 -9.200) 18.542 7.423 ( -0.000 14.184 -3.351) 14.574 8.288 ( -0.000 3.449 1.320) 3.693 8.707 ( 0.000 -13.994 -13.831) 19.676 9.556 ( 0.000 -1.420 -14.450) 14.520 9.815 ( 0.000 -0.292 6.812) 6.819 10.694 ( 0.000 -0.386 -3.048) 3.072 11.540 ( 0.000 -3.033 18.941) 19.183 12.611 ( -0.000 1.757 -3.224) 3.672 15.312 ( -0.000 9.873 -4.436) 10.824 15.599 ( -0.000 5.555 0.582) 5.586 15.708 ( -0.000 6.255 -0.637) 6.288 15.772 ( -0.000 11.184 2.743) 11.516 16.237 ( -0.000 1.277 0.040) 1.278 16.251 ( -0.000 0.057 -0.105) 0.119 16.348 ( 0.000 -3.716 -9.717) 10.403 16.637 ( 0.000 -2.850 7.290) 7.827 16.709 ( -0.000 0.496 -12.898) 12.908 18.459 ( -0.000 8.378 -23.429) 24.882 19.414 ( 0.000 -7.948 15.262) 17.208 19.817 ( 0.000 -0.328 0.605) 0.689 ======================= Grid point 406 (151/324) ======================= q-point: (-0.65 0.35 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.250 ( -18.353 -0.000 12.701) 22.319 3.531 ( -18.466 -0.000 -0.132) 18.466 3.879 ( -21.660 -0.000 -1.474) 21.710 4.702 ( -11.173 -0.000 -3.751) 11.786 4.918 ( 0.202 0.000 5.668) 5.672 4.979 ( -26.187 -0.000 1.519) 26.231 5.993 ( -26.655 -0.000 -14.472) 30.330 6.131 ( 11.719 0.000 -9.055) 14.809 6.555 ( -15.603 -0.000 12.282) 19.857 7.293 ( 1.559 0.000 0.241) 1.578 7.877 ( -37.550 -0.000 2.987) 37.668 8.433 ( -28.273 -0.000 -3.826) 28.530 9.502 ( 24.005 0.000 -9.354) 25.763 9.559 ( 2.745 0.000 -17.156) 17.374 10.441 ( -8.999 -0.000 25.068) 26.634 10.895 ( -11.791 -0.000 13.178) 17.683 12.291 ( -3.800 -0.000 -3.614) 5.244 12.382 ( -21.866 -0.000 -4.470) 22.319 13.883 ( 10.743 0.000 -1.310) 10.822 13.971 ( 9.027 0.000 -1.520) 9.154 14.753 ( 5.674 0.000 5.446) 7.865 15.002 ( -2.788 -0.000 2.116) 3.500 15.520 ( -0.454 -0.000 -1.900) 1.954 16.546 ( 14.146 0.000 2.172) 14.311 16.760 ( 13.304 0.000 -3.993) 13.891 17.491 ( 3.417 0.000 -7.247) 8.012 17.600 ( 7.510 0.000 -11.190) 13.477 17.769 ( 3.470 0.000 -3.216) 4.731 19.209 ( 0.173 0.000 6.672) 6.675 19.790 ( -0.226 -0.000 -0.539) 0.584 ======================= Grid point 408 (152/324) ======================= q-point: (-0.59 0.35 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.913 ( -16.298 3.470 13.607) 21.513 3.254 ( -10.251 1.831 -0.214) 10.415 3.548 ( -13.786 -1.509 -1.573) 13.957 4.398 ( -32.581 0.507 1.178) 32.606 4.522 ( -11.319 -5.109 -4.925) 13.360 4.868 ( -7.947 -1.575 3.143) 8.690 5.356 ( -33.611 1.852 -4.778) 33.999 6.314 ( -16.250 1.410 9.853) 19.056 6.335 ( 7.992 -3.114 -11.326) 14.207 7.139 ( -38.884 -0.326 5.853) 39.323 7.386 ( 7.664 3.569 -1.877) 8.660 7.973 ( -18.363 -0.495 -5.406) 19.148 9.409 ( -16.374 0.441 -10.224) 19.309 9.844 ( 9.764 -0.070 -18.866) 21.243 10.361 ( -1.621 1.221 19.061) 19.168 10.763 ( -0.049 -1.003 22.263) 22.286 11.952 ( -23.997 -0.781 -4.162) 24.368 12.256 ( 0.829 0.031 -4.378) 4.456 14.159 ( 18.141 -0.119 -2.205) 18.275 14.222 ( 16.985 -0.931 -1.511) 17.078 14.886 ( 8.565 -1.081 3.376) 9.269 15.023 ( 3.999 -3.401 1.860) 5.569 15.554 ( 3.351 -0.743 -1.044) 3.587 16.758 ( 8.293 1.099 3.459) 9.052 16.898 ( 1.778 -2.248 -8.304) 8.784 17.425 ( -7.491 0.540 0.601) 7.534 17.775 ( -1.520 1.931 -5.712) 6.218 17.899 ( 18.303 -1.729 -14.584) 23.467 19.218 ( 0.688 -0.288 7.419) 7.456 19.790 ( 0.208 0.048 -0.539) 0.580 ======================= Grid point 409 (153/324) ======================= q-point: (-0.53 0.35 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.607 ( -12.518 8.271 13.789) 20.377 3.107 ( -3.368 10.415 0.547) 10.960 3.380 ( -5.612 -1.641 -1.996) 6.178 3.764 ( -34.002 -6.228 0.790) 34.577 4.345 ( -17.430 -4.533 -10.140) 20.668 4.539 ( -19.477 -1.512 -3.313) 19.814 4.952 ( -10.616 -1.544 8.635) 13.771 5.835 ( -32.556 3.159 10.622) 34.390 6.220 ( -32.672 -3.500 -6.417) 33.479 6.678 ( -0.458 -3.947 -0.776) 4.048 7.516 ( 8.982 10.011 -1.652) 13.550 7.822 ( 0.644 -4.793 -5.757) 7.518 9.046 ( -19.975 1.030 -2.687) 20.181 9.846 ( -6.932 -0.091 -19.214) 20.427 10.280 ( -7.126 0.978 11.961) 13.957 10.926 ( 14.194 -1.159 22.245) 26.413 11.508 ( -23.645 -1.253 -3.856) 23.990 12.330 ( 6.622 0.085 -4.396) 7.948 14.539 ( 22.111 1.419 -3.328) 22.405 14.597 ( 22.068 -0.346 -1.211) 22.104 15.097 ( 13.090 -1.835 0.012) 13.218 15.197 ( 11.255 -7.267 2.069) 13.556 15.635 ( 4.724 0.025 -0.320) 4.735 16.811 ( -1.592 4.449 -0.508) 4.752 16.900 ( -3.095 -4.361 -3.992) 6.674 17.232 ( -12.419 0.160 0.805) 12.446 17.662 ( -9.600 1.104 -7.639) 12.318 18.236 ( 15.640 -0.080 -14.452) 21.295 19.237 ( 1.013 -0.919 8.728) 8.834 19.796 ( 0.452 0.102 -0.283) 0.542 ======================= Grid point 410 (154/324) ======================= q-point: (-0.47 0.35 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.348 ( -8.226 13.343 13.577) 20.737 2.837 ( -19.359 17.828 3.503) 26.549 3.308 ( -4.099 -1.122 -5.258) 6.761 3.400 ( -5.127 -4.653 0.484) 6.941 3.863 ( -26.270 0.962 -11.424) 28.662 4.429 ( -2.070 -7.114 -2.696) 7.885 4.785 ( -12.848 -5.759 7.666) 16.032 5.170 ( -31.600 2.851 15.057) 35.119 5.550 ( -35.413 -2.664 -0.646) 35.519 6.804 ( 5.470 -8.349 -7.320) 12.378 7.593 ( 7.034 12.821 -2.766) 14.883 7.990 ( 10.764 -8.364 -5.546) 14.717 8.695 ( -15.783 1.776 1.455) 15.949 9.690 ( -8.234 -0.317 -15.795) 17.815 10.098 ( -11.137 -0.279 8.429) 13.970 11.100 ( -19.498 -0.966 -3.641) 19.859 11.211 ( 13.392 -1.359 18.582) 22.945 12.473 ( 7.952 0.553 -4.064) 8.947 14.945 ( 22.422 3.967 -4.511) 23.213 15.025 ( 23.726 2.798 -0.499) 23.896 15.386 ( 15.933 -1.268 -3.261) 16.312 15.521 ( 17.423 -8.681 1.678) 19.538 15.730 ( 6.120 0.132 0.181) 6.124 16.657 ( -10.803 7.486 -1.929) 13.284 16.800 ( -10.566 -2.614 -1.584) 11.000 16.990 ( -13.369 -2.680 2.478) 13.858 17.401 ( -17.528 1.160 -9.708) 20.070 18.460 ( 8.667 1.798 -15.932) 18.226 19.266 ( 1.074 -2.165 10.363) 10.641 19.805 ( 0.483 0.109 0.064) 0.500 ======================= Grid point 411 (155/324) ======================= q-point: (-0.41 0.35 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.140 ( -3.980 17.758 13.073) 22.407 2.342 ( -18.796 14.932 4.807) 24.482 3.278 ( 1.400 6.673 -6.895) 9.697 3.386 ( -2.243 4.172 -4.254) 6.366 3.471 ( -10.778 3.029 -7.256) 13.342 4.398 ( -22.484 -1.890 6.325) 23.433 4.474 ( -1.686 -10.391 0.353) 10.533 4.853 ( -6.431 -5.752 16.301) 18.443 5.014 ( -21.739 -2.555 1.556) 21.944 6.944 ( 2.968 -11.373 -8.851) 14.714 7.624 ( 4.327 13.059 -3.327) 14.154 8.259 ( 9.062 -11.371 -8.186) 16.686 8.465 ( -6.427 0.645 4.233) 7.722 9.572 ( -4.270 -0.694 -14.482) 15.115 9.904 ( -9.016 -0.840 6.967) 11.425 10.802 ( -11.874 -0.684 -3.289) 12.340 11.425 ( 7.819 -1.516 17.271) 19.019 12.593 ( 4.927 1.199 -3.742) 6.302 15.302 ( 17.644 6.650 -6.702) 20.011 15.430 ( 21.715 7.001 0.503) 22.821 15.637 ( 10.643 3.053 -3.022) 11.477 15.868 ( 12.362 -5.698 1.860) 13.738 15.962 ( 18.914 -3.642 -2.600) 19.436 16.342 ( -14.602 11.121 0.486) 18.361 16.554 ( -17.097 -4.457 -5.082) 18.385 16.764 ( -12.731 -2.570 7.329) 14.913 17.009 ( -22.165 1.460 -11.284) 24.915 18.547 ( 2.991 3.970 -17.879) 18.557 19.302 ( 0.703 -3.752 11.934) 12.530 19.812 ( 0.318 0.049 0.341) 0.469 ======================= Grid point 412 (156/324) ======================= q-point: (-0.35 0.35 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.993 ( -0.000 20.403 13.287) 24.348 2.048 ( -0.000 17.517 4.564) 18.102 3.232 ( -0.000 15.567 -4.482) 16.200 3.265 ( -0.000 5.046 -14.249) 15.116 3.410 ( -0.000 5.347 -0.083) 5.347 4.166 ( 0.000 -3.936 10.729) 11.429 4.542 ( 0.000 -11.949 -0.034) 11.949 4.790 ( 0.000 -1.151 -1.296) 1.733 4.873 ( 0.000 -11.205 18.289) 21.449 7.048 ( 0.000 -13.647 -9.267) 16.496 7.588 ( -0.000 13.299 -3.566) 13.768 8.319 ( -0.000 1.053 -1.026) 1.471 8.527 ( 0.000 -15.014 -5.599) 16.024 9.540 ( 0.000 -1.179 -14.223) 14.272 9.811 ( 0.000 -0.263 6.829) 6.834 10.689 ( 0.000 -0.314 -3.034) 3.051 11.510 ( 0.000 -2.016 17.464) 17.580 12.632 ( -0.000 1.594 -3.531) 3.874 15.429 ( -0.000 9.375 -7.804) 12.198 15.662 ( -0.000 4.894 0.640) 4.936 15.780 ( -0.000 5.703 -0.677) 5.743 15.898 ( -0.000 9.516 1.703) 9.667 16.248 ( 0.000 -0.242 -0.071) 0.252 16.250 ( -0.000 0.564 -0.025) 0.565 16.290 ( 0.000 -5.655 -9.690) 11.219 16.607 ( 0.000 -2.010 8.662) 8.892 16.715 ( -0.000 0.310 -11.125) 11.129 18.543 ( -0.000 5.644 -19.644) 20.439 19.335 ( 0.000 -5.178 13.161) 14.142 19.815 ( 0.000 -0.042 0.443) 0.445 ======================= Grid point 425 (157/324) ======================= q-point: (-0.59 0.41 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.658 ( -12.116 -0.000 15.024) 19.301 3.176 ( 0.720 0.000 -1.908) 2.039 3.370 ( -5.065 -0.000 -0.982) 5.159 3.721 ( -36.913 -0.000 1.763) 36.955 4.316 ( -15.062 -0.000 -10.252) 18.220 4.530 ( -20.804 -0.000 -3.427) 21.084 4.944 ( -12.027 -0.000 8.220) 14.568 5.855 ( -32.522 -0.000 10.743) 34.250 6.197 ( -31.419 -0.000 -7.678) 32.344 6.654 ( -2.006 -0.000 0.109) 2.009 7.587 ( 11.444 0.000 -1.590) 11.554 7.783 ( -2.349 -0.000 -5.815) 6.272 9.052 ( -19.897 -0.000 -2.751) 20.087 9.845 ( -6.957 -0.000 -19.182) 20.405 10.286 ( -7.640 -0.000 12.248) 14.435 10.919 ( 14.420 0.000 22.075) 26.368 11.500 ( -23.513 -0.000 -3.775) 23.814 12.330 ( 6.694 0.000 -4.478) 8.054 14.549 ( 22.911 0.000 -3.535) 23.182 14.594 ( 22.610 0.000 -1.709) 22.674 15.088 ( 13.792 0.000 1.345) 13.857 15.148 ( 10.578 0.000 1.128) 10.638 15.636 ( 5.163 0.000 -0.394) 5.178 16.853 ( -5.240 -0.000 -10.231) 11.495 16.858 ( 1.597 0.000 5.909) 6.121 17.233 ( -13.057 -0.000 0.740) 13.078 17.668 ( -9.820 -0.000 -7.610) 12.424 18.235 ( 16.125 0.000 -13.845) 21.253 19.232 ( 0.871 0.000 8.479) 8.524 19.797 ( 0.449 0.000 -0.252) 0.515 ======================= Grid point 427 (158/324) ======================= q-point: (-0.53 0.41 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.458 ( -7.739 4.753 15.715) 18.151 3.019 ( -28.054 10.826 2.073) 30.141 3.280 ( 2.198 -4.086 -3.817) 6.008 3.343 ( 0.639 -2.635 -0.102) 2.714 3.868 ( -25.330 0.104 -12.047) 28.050 4.371 ( -2.426 -2.483 -3.267) 4.767 4.738 ( -13.283 -2.058 7.552) 15.418 5.200 ( -32.740 1.536 15.129) 36.099 5.525 ( -34.941 -1.169 -1.853) 35.010 6.735 ( 5.040 -2.947 -6.932) 9.063 7.740 ( 7.655 11.730 -3.211) 14.370 7.876 ( 8.098 -10.400 -4.477) 13.920 8.709 ( -15.760 0.608 1.310) 15.827 9.687 ( -8.325 -0.107 -15.654) 17.730 10.095 ( -11.642 -0.133 8.817) 14.605 11.092 ( -19.528 -0.359 -3.513) 19.845 11.200 ( 13.833 -0.436 18.182) 22.850 12.477 ( 8.166 0.208 -4.196) 9.184 14.986 ( 23.609 2.292 -5.379) 24.322 15.046 ( 25.245 0.723 -1.792) 25.319 15.384 ( 17.289 1.620 -0.875) 17.387 15.431 ( 17.781 -5.963 0.818) 18.772 15.736 ( 5.846 0.485 -0.403) 5.880 16.698 ( -11.138 0.319 -9.303) 14.516 16.812 ( -6.617 3.011 7.466) 10.421 16.953 ( -16.429 -2.705 1.209) 16.694 17.410 ( -17.524 0.429 -9.425) 19.902 18.474 ( 9.305 0.557 -14.413) 17.165 19.249 ( 0.763 -0.697 9.624) 9.680 19.806 ( 0.463 0.042 0.137) 0.485 ======================= Grid point 428 (159/324) ======================= q-point: (-0.47 0.41 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.308 ( -3.717 9.843 15.796) 18.979 2.485 ( -20.126 8.515 3.510) 22.134 3.335 ( 2.631 3.689 -4.408) 6.321 3.419 ( 1.465 0.856 -4.723) 5.019 3.494 ( -10.113 0.739 -9.577) 13.948 4.371 ( -20.463 -3.489 7.886) 22.205 4.382 ( -3.258 -3.759 -4.216) 6.521 4.813 ( -8.522 -1.294 19.070) 20.927 4.990 ( -21.466 -1.356 -0.752) 21.522 6.838 ( 2.799 -6.128 -8.665) 10.976 7.779 ( 4.391 12.780 -3.566) 13.975 8.106 ( 7.428 -13.361 -5.388) 16.208 8.476 ( -8.217 0.874 3.753) 9.076 9.566 ( -4.457 -0.389 -14.299) 14.982 9.896 ( -8.761 -0.449 7.235) 11.371 10.796 ( -11.540 -0.319 -3.183) 11.975 11.411 ( 7.803 -0.760 16.563) 18.325 12.604 ( 5.114 0.676 -3.927) 6.483 15.372 ( 18.583 4.669 -8.153) 20.823 15.501 ( 23.783 4.412 -1.195) 24.218 15.668 ( 11.041 2.556 -1.906) 11.492 15.798 ( 15.342 -5.897 1.308) 16.488 15.935 ( 18.854 -1.073 -2.293) 19.023 16.429 ( -16.436 2.153 -6.895) 17.954 16.539 ( -17.480 3.451 1.466) 17.878 16.723 ( -11.457 -4.069 9.157) 15.221 17.023 ( -22.411 0.816 -10.779) 24.882 18.582 ( 3.443 1.895 -15.602) 16.089 19.269 ( 0.466 -1.787 10.680) 10.838 19.813 ( 0.293 0.052 0.434) 0.526 ======================= Grid point 429 (160/324) ======================= q-point: (-0.41 0.41 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.203 ( -0.000 14.103 15.533) 20.980 2.224 ( -0.000 11.569 3.923) 12.217 3.314 ( -0.000 3.048 -13.566) 13.904 3.338 ( -0.000 4.605 -6.397) 7.882 3.495 ( -0.000 6.351 -0.943) 6.420 4.122 ( 0.000 -3.246 10.904) 11.377 4.423 ( 0.000 -7.659 -2.310) 8.000 4.773 ( 0.000 -5.463 18.994) 19.764 4.781 ( 0.000 -0.534 -1.614) 1.700 6.910 ( 0.000 -9.024 -9.180) 12.873 7.744 ( -0.000 12.939 -3.581) 13.425 8.263 ( 0.000 -12.279 -7.188) 14.228 8.407 ( 0.000 -2.784 4.543) 5.328 9.528 ( 0.000 -0.768 -14.057) 14.078 9.808 ( 0.000 -0.184 6.845) 6.847 10.686 ( 0.000 -0.205 -3.025) 3.032 11.491 ( 0.000 -1.169 16.451) 16.493 12.648 ( -0.000 1.113 -3.767) 3.928 15.531 ( -0.000 7.393 -10.590) 12.915 15.713 ( -0.000 3.407 0.693) 3.476 15.841 ( -0.000 4.163 -0.727) 4.226 15.995 ( -0.000 6.501 0.499) 6.520 16.221 ( 0.000 -5.521 -9.331) 10.842 16.241 ( 0.000 -0.703 0.023) 0.704 16.257 ( -0.000 0.344 -0.132) 0.369 16.588 ( 0.000 -1.168 10.656) 10.720 16.717 ( -0.000 0.087 -10.536) 10.536 18.596 ( -0.000 3.245 -16.789) 17.099 19.287 ( 0.000 -2.911 11.498) 11.861 19.815 ( -0.000 0.041 0.514) 0.515 ======================= Grid point 444 (161/324) ======================= q-point: (-0.53 0.47 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.368 ( -3.589 -0.000 16.881) 17.258 2.537 ( -20.845 -0.000 3.149) 21.082 3.363 ( 1.768 0.000 0.639) 1.880 3.416 ( 5.606 0.000 -7.237) 9.155 3.496 ( -11.413 -0.000 -12.059) 16.604 4.342 ( -7.050 -0.000 2.265) 7.405 4.366 ( -16.265 -0.000 0.155) 16.266 4.808 ( -9.514 -0.000 20.013) 22.159 4.982 ( -21.203 -0.000 -1.696) 21.270 6.801 ( 2.753 0.000 -8.584) 9.015 7.910 ( 4.180 0.000 -4.878) 6.424 7.970 ( 6.678 0.000 -3.078) 7.353 8.482 ( -8.439 -0.000 3.533) 9.148 9.563 ( -4.523 -0.000 -14.237) 14.938 9.893 ( -8.657 -0.000 7.314) 11.333 10.795 ( -11.433 -0.000 -3.152) 11.860 11.407 ( 7.803 0.000 16.321) 18.091 12.608 ( 5.179 0.000 -3.992) 6.539 15.403 ( 18.587 0.000 -8.884) 20.601 15.527 ( 25.043 0.000 -2.378) 25.156 15.698 ( 7.908 0.000 0.072) 7.908 15.746 ( 19.885 0.000 0.292) 19.887 15.930 ( 18.430 0.000 -2.165) 18.557 16.431 ( -17.019 -0.000 -8.668) 19.099 16.583 ( -20.492 -0.000 0.367) 20.495 16.686 ( -8.297 -0.000 12.410) 14.928 17.028 ( -22.510 -0.000 -10.624) 24.891 18.593 ( 3.601 0.000 -14.811) 15.242 19.258 ( 0.390 0.000 10.240) 10.247 19.813 ( 0.287 0.000 0.475) 0.555 ======================= Grid point 446 (162/324) ======================= q-point: (-0.47 0.47 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.319 ( -0.000 4.092 3.578) 5.436 2.320 ( -0.000 5.103 17.158) 17.901 3.338 ( -0.000 0.991 -13.236) 13.273 3.377 ( -0.000 1.915 -0.229) 1.928 3.537 ( -0.000 1.070 -8.120) 8.190 4.094 ( 0.000 -1.266 11.089) 11.161 4.361 ( 0.000 -2.693 -4.360) 5.124 4.736 ( 0.000 -1.201 19.380) 19.417 4.777 ( 0.000 -0.146 -1.819) 1.825 6.836 ( 0.000 -3.148 -9.091) 9.620 7.899 ( -0.000 12.538 -3.987) 13.157 8.092 ( 0.000 -13.788 -4.536) 14.515 8.401 ( -0.000 0.195 4.413) 4.417 9.522 ( 0.000 -0.266 -13.962) 13.965 9.807 ( 0.000 -0.066 6.854) 6.854 10.685 ( 0.000 -0.071 -3.020) 3.021 11.482 ( 0.000 -0.384 15.939) 15.944 12.657 ( -0.000 0.399 -3.896) 3.916 15.596 ( -0.000 3.021 -12.416) 12.778 15.741 ( -0.000 1.229 0.727) 1.428 15.876 ( -0.000 1.565 -0.769) 1.744 16.049 ( -0.000 2.331 -0.338) 2.355 16.170 ( 0.000 -2.450 -8.849) 9.182 16.234 ( 0.000 -0.358 0.078) 0.366 16.259 ( -0.000 0.082 -0.184) 0.202 16.579 ( 0.000 -0.419 12.147) 12.155 16.718 ( -0.000 0.012 -10.437) 10.437 18.621 ( -0.000 1.057 -15.258) 15.295 19.264 ( 0.000 -0.938 10.600) 10.642 19.816 ( -0.000 0.025 0.590) 0.590 ======================= Grid point 594 (163/324) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.924 ( 0.000 0.000 24.405) 24.405 1.150 ( 0.000 0.000 30.141) 30.141 2.346 ( 0.000 0.000 45.034) 45.034 2.425 ( 0.000 0.000 -25.536) 25.536 3.028 ( 0.000 0.000 -11.541) 11.541 4.522 ( 0.000 0.000 11.863) 11.863 4.904 ( 0.000 0.000 -2.179) 2.179 5.116 ( 0.000 0.000 -26.182) 26.182 6.524 ( 0.000 0.000 14.781) 14.781 6.942 ( 0.000 0.000 16.728) 16.728 7.566 ( 0.000 0.000 -15.083) 15.083 7.796 ( 0.000 0.000 -9.040) 9.040 8.273 ( 0.000 0.000 8.427) 8.427 9.212 ( 0.000 0.000 -21.011) 21.011 10.005 ( 0.000 0.000 11.155) 11.155 10.617 ( 0.000 0.000 -6.570) 6.570 12.121 ( 0.000 0.000 8.765) 8.765 12.484 ( 0.000 0.000 -3.466) 3.466 15.300 ( 0.000 0.000 17.243) 17.243 15.393 ( 0.000 0.000 0.779) 0.779 15.453 ( 0.000 0.000 -0.968) 0.968 15.533 ( 0.000 0.000 12.637) 12.637 15.809 ( 0.000 0.000 -5.242) 5.242 16.172 ( 0.000 0.000 0.624) 0.624 16.212 ( 0.000 0.000 -0.522) 0.522 16.504 ( 0.000 0.000 0.757) 0.757 16.826 ( 0.000 0.000 -2.248) 2.248 17.314 ( 0.000 0.000 -25.290) 25.290 19.728 ( 0.000 0.000 -1.475) 1.475 20.256 ( 0.000 0.000 -16.256) 16.256 ======================= Grid point 595 (164/324) ======================= q-point: ( 0.06 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.287 ( 15.642 1.125 26.254) 30.581 1.433 ( 38.637 -5.835 18.079) 43.055 2.448 ( 10.915 -4.595 41.563) 43.217 2.671 ( 24.240 -1.787 -22.897) 33.393 3.067 ( 4.414 -0.789 -11.909) 12.726 4.668 ( 13.700 0.294 7.793) 15.764 5.116 ( 20.653 1.197 -3.292) 20.948 5.178 ( 8.783 1.642 -21.529) 23.309 6.365 ( -12.216 5.573 20.318) 24.354 6.893 ( -4.023 -0.161 16.087) 16.584 7.522 ( -6.195 -2.442 -16.101) 17.424 7.750 ( -6.395 -2.843 -10.171) 12.346 8.341 ( 7.314 -1.262 8.918) 11.603 9.241 ( 3.773 -0.077 -20.258) 20.606 10.067 ( 6.124 -0.286 11.720) 13.227 10.756 ( 12.728 0.236 -9.426) 15.840 11.992 ( -10.692 0.741 13.574) 17.295 12.451 ( -3.373 -0.122 -3.963) 5.205 15.223 ( -11.852 0.709 6.255) 13.420 15.291 ( -4.660 0.709 18.928) 19.506 15.463 ( 2.277 -1.705 -0.533) 2.894 15.630 ( -7.711 1.894 -1.887) 8.161 16.042 ( 28.992 -2.338 -13.955) 32.261 16.345 ( 17.248 3.012 -1.646) 17.587 16.386 ( 16.756 -1.846 -3.816) 17.284 16.554 ( 5.104 -2.268 0.190) 5.589 16.834 ( 1.481 -0.048 -2.031) 2.514 17.312 ( -1.506 -3.979 -24.961) 25.321 19.727 ( -0.061 0.045 -1.485) 1.487 20.145 ( -9.460 3.191 -10.231) 14.295 ======================= Grid point 596 (165/324) ======================= q-point: ( 0.12 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.660 ( 24.494 1.673 21.118) 32.384 2.108 ( 25.622 -4.791 28.464) 38.596 2.916 ( 36.101 -7.239 17.899) 40.939 3.200 ( 16.806 1.244 -10.751) 19.989 3.296 ( 32.670 -4.091 -18.057) 37.552 4.899 ( 9.597 2.196 -8.972) 13.319 5.468 ( 25.533 4.964 -2.653) 26.146 5.608 ( 27.839 -0.963 -1.127) 27.879 6.117 ( -7.841 5.175 20.599) 22.641 6.817 ( -4.724 -2.776 13.858) 14.902 7.354 ( -11.935 1.577 -16.793) 20.663 7.596 ( -10.939 -3.984 -9.659) 15.127 8.565 ( 15.176 -1.347 6.979) 16.758 9.355 ( 7.634 0.161 -20.065) 21.469 10.212 ( 8.164 -1.101 13.639) 15.934 11.024 ( 14.947 0.053 -10.477) 18.254 11.788 ( -9.422 1.021 16.722) 19.220 12.372 ( -4.554 0.231 -5.069) 6.818 14.938 ( -15.892 1.213 4.376) 16.528 15.192 ( -8.860 4.805 11.521) 15.307 15.276 ( -11.068 -1.424 2.442) 11.423 15.750 ( 9.988 -4.805 4.173) 11.843 16.322 ( 9.460 9.812 -5.626) 14.745 16.507 ( 7.366 11.600 -2.076) 13.897 16.724 ( 9.738 -6.986 0.330) 11.989 16.915 ( 5.340 -6.358 -1.552) 8.447 16.973 ( 29.619 -1.838 -25.510) 39.133 17.311 ( -1.493 -7.416 -25.144) 26.257 19.725 ( -0.085 0.372 -1.410) 1.461 19.921 ( -11.233 3.283 -1.220) 11.767 ======================= Grid point 597 (166/324) ======================= q-point: ( 0.18 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.147 ( 28.391 3.976 19.470) 34.654 2.539 ( 19.538 -9.331 33.155) 39.599 3.445 ( 19.052 4.007 -19.902) 27.841 3.824 ( 46.500 -5.203 10.926) 48.049 4.021 ( 38.275 -2.181 -17.070) 41.966 5.037 ( 9.212 5.150 -14.828) 18.200 5.739 ( -3.005 5.523 19.223) 20.226 6.035 ( 24.287 2.435 7.826) 25.633 6.313 ( 26.066 -2.728 -0.956) 26.226 6.787 ( 2.720 -2.735 11.523) 12.151 7.066 ( -16.196 4.033 -15.553) 22.814 7.465 ( -3.407 -5.343 -9.244) 11.207 8.884 ( 16.612 -1.097 1.993) 16.767 9.485 ( 5.188 0.346 -19.521) 20.201 10.365 ( 6.999 -1.964 17.551) 18.996 11.250 ( 5.993 -0.961 -2.524) 6.573 11.701 ( 4.419 1.757 10.005) 11.078 12.297 ( -2.551 1.209 -6.111) 6.731 14.638 ( -14.812 2.187 3.537) 15.384 14.899 ( -15.286 5.421 -2.155) 16.361 15.165 ( -5.238 -1.566 14.579) 15.571 15.919 ( 6.145 1.334 3.811) 7.353 16.361 ( 3.191 16.225 -6.023) 17.598 16.553 ( 4.783 7.585 -2.628) 9.344 16.957 ( 9.221 -8.039 1.144) 12.287 17.053 ( 3.390 -9.031 -1.172) 9.717 17.233 ( 0.533 0.253 -19.179) 19.188 17.494 ( 14.101 -4.926 -27.643) 31.421 19.682 ( -6.640 3.531 3.880) 8.463 19.749 ( -2.477 -0.666 -0.675) 2.653 ======================= Grid point 598 (167/324) ======================= q-point: ( 0.24 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.651 ( 27.425 2.511 22.585) 35.616 3.011 ( 24.882 -9.181 22.943) 35.069 3.797 ( 21.945 6.484 -17.055) 28.539 4.616 ( 29.095 0.881 -7.342) 30.020 4.697 ( 33.487 -3.063 -9.359) 34.905 5.233 ( 16.440 7.911 -10.594) 21.097 5.620 ( -2.580 4.053 19.399) 19.985 6.344 ( 7.950 1.607 10.190) 13.024 6.604 ( 2.473 -8.469 1.051) 8.885 6.722 ( -13.342 5.035 -13.365) 19.544 7.188 ( 33.564 -1.223 5.646) 34.058 7.637 ( 19.414 -5.187 -7.890) 21.589 9.138 ( 8.264 -1.126 -4.500) 9.477 9.496 ( -4.945 0.018 -16.914) 17.622 10.514 ( 8.517 -2.455 22.597) 24.273 11.274 ( 0.039 0.176 10.636) 10.638 11.938 ( 18.059 0.538 -4.184) 18.546 12.275 ( 1.558 2.324 -6.319) 6.911 14.368 ( -11.849 3.784 2.446) 12.677 14.593 ( -13.281 6.266 -2.955) 14.979 15.073 ( -5.514 -1.220 14.633) 15.685 15.966 ( 2.609 9.198 3.537) 10.194 16.277 ( -0.353 18.494 -6.601) 19.640 16.569 ( -1.058 1.442 -6.107) 6.364 17.074 ( -2.352 -5.716 -2.742) 6.762 17.123 ( -4.476 -9.068 -7.612) 12.657 17.268 ( 6.990 0.625 -7.029) 9.933 17.689 ( 4.720 -0.451 -18.956) 19.540 19.534 ( -5.717 2.275 7.999) 10.092 19.747 ( 0.531 -0.286 -1.778) 1.877 ======================= Grid point 599 (168/324) ======================= q-point: ( 0.29 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.150 ( 26.363 -1.079 22.672) 34.788 3.550 ( 27.292 -4.968 13.855) 31.008 4.177 ( 22.816 7.683 -13.847) 27.773 4.935 ( 9.520 2.148 -10.261) 14.161 5.121 ( 8.386 -2.277 -6.605) 10.915 5.421 ( 5.086 8.459 -3.008) 10.318 5.725 ( 14.806 5.005 7.462) 17.319 6.262 ( -13.894 1.228 0.906) 13.978 6.673 ( 12.487 -4.465 0.400) 13.267 6.776 ( 14.092 -2.491 -2.409) 14.512 7.854 ( 34.306 -2.338 5.573) 34.834 8.170 ( 31.293 -3.943 -5.025) 31.938 9.172 ( -5.273 -1.703 -8.453) 10.107 9.292 ( -16.239 -0.341 -11.567) 19.941 10.738 ( 13.716 -2.099 24.156) 27.858 11.318 ( 5.151 1.325 11.177) 12.378 12.262 ( 12.212 1.429 -6.659) 13.983 12.349 ( 11.030 0.914 -7.067) 13.132 14.159 ( -7.191 5.340 1.363) 9.060 14.340 ( -9.040 7.149 -2.839) 11.870 14.973 ( -5.810 -0.672 14.609) 15.736 15.917 ( -0.248 14.087 4.246) 14.715 16.139 ( -3.241 15.845 -6.800) 17.545 16.492 ( -6.643 -0.747 -7.916) 10.361 16.971 ( -11.801 -5.044 -3.254) 13.240 17.029 ( -6.850 -0.717 -16.427) 17.812 17.399 ( 4.889 -1.183 0.019) 5.030 17.691 ( -3.716 0.862 -10.352) 11.032 19.450 ( -2.275 1.374 9.260) 9.634 19.764 ( 1.213 0.051 -1.702) 2.090 ======================= Grid point 600 (169/324) ======================= q-point: ( 0.35 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.641 ( 24.469 -2.401 19.984) 31.684 4.061 ( 24.623 -1.262 8.675) 26.137 4.544 ( 20.522 6.511 -10.436) 23.926 4.995 ( -0.674 1.893 1.770) 2.678 5.216 ( 3.126 -2.471 -11.563) 12.230 5.367 ( -4.691 5.333 -2.489) 7.526 5.870 ( 1.454 7.937 -0.715) 8.101 6.017 ( -8.580 -3.456 -2.562) 9.598 7.050 ( 21.608 -4.250 1.896) 22.104 7.182 ( 25.390 0.580 -2.280) 25.499 8.461 ( 28.339 -2.259 7.096) 29.301 8.741 ( 20.922 -3.927 -4.017) 21.663 8.927 ( -20.604 -0.140 -6.301) 21.547 9.042 ( -4.381 -1.835 -9.132) 10.294 11.021 ( 14.405 -1.351 21.915) 26.260 11.428 ( 6.891 1.739 9.015) 11.479 12.373 ( 5.071 2.418 -3.144) 6.438 12.643 ( 15.394 -0.820 -10.158) 18.462 14.043 ( -1.410 6.051 0.634) 6.245 14.181 ( -3.142 7.112 -2.362) 8.126 14.867 ( -5.546 -0.064 14.444) 15.472 15.792 ( -4.014 13.819 4.110) 14.965 15.961 ( -7.742 10.200 -5.661) 14.001 16.346 ( -8.655 -0.137 -5.106) 10.050 16.728 ( -14.534 0.174 -4.203) 15.130 16.898 ( -6.374 1.314 -22.436) 23.361 17.448 ( -0.169 -0.831 0.123) 0.856 17.570 ( -7.896 0.456 -4.128) 8.922 19.422 ( -0.237 0.947 9.871) 9.919 19.789 ( 1.514 0.287 -1.431) 2.103 ======================= Grid point 601 (170/324) ======================= q-point: ( 0.41 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.070 ( 19.222 -1.741 17.728) 26.207 4.464 ( 17.718 1.086 5.561) 18.602 4.848 ( 14.140 2.656 -6.670) 15.858 4.948 ( -2.342 1.347 3.574) 4.481 5.227 ( -6.333 -3.979 -6.855) 10.145 5.279 ( 1.848 5.418 -5.186) 7.725 5.717 ( -8.110 3.910 0.819) 9.041 6.022 ( 2.564 -2.302 -9.697) 10.292 7.439 ( 16.515 -1.715 2.082) 16.734 7.616 ( 19.732 0.845 -3.448) 20.049 8.553 ( -17.407 0.117 -2.281) 17.557 8.695 ( -11.589 -2.249 -7.790) 14.144 8.935 ( 18.721 -1.576 8.500) 20.621 9.347 ( 20.748 -2.174 -5.217) 21.504 11.261 ( 10.073 -0.667 19.192) 21.685 11.534 ( 5.134 1.415 7.145) 8.912 12.442 ( 3.410 1.410 -0.862) 3.790 12.889 ( 10.074 -0.561 -10.833) 14.804 14.032 ( 3.477 5.214 0.481) 6.286 14.137 ( 1.997 5.529 -1.662) 6.109 14.775 ( -3.937 0.073 13.413) 13.979 15.615 ( -7.228 8.100 2.675) 11.180 15.727 ( -12.113 4.243 -3.291) 13.249 16.196 ( -6.050 2.183 -0.039) 6.432 16.472 ( -10.366 3.977 -4.897) 12.135 16.791 ( -4.070 0.924 -28.405) 28.710 17.401 ( -5.964 0.004 -0.111) 5.965 17.439 ( -3.967 -0.582 -1.292) 4.213 19.420 ( 0.315 0.658 10.400) 10.425 19.814 ( 1.237 0.334 -1.145) 1.718 ======================= Grid point 602 (171/324) ======================= q-point: ( 0.47 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.344 ( 8.115 -0.537 17.543) 19.336 4.691 ( 6.798 1.033 3.845) 7.878 4.906 ( -0.963 1.129 2.195) 2.649 5.003 ( 1.759 -2.213 -2.386) 3.700 5.187 ( 3.113 2.133 -5.947) 7.043 5.257 ( -2.798 0.209 -6.246) 6.848 5.590 ( -3.357 1.000 1.513) 3.815 6.080 ( 1.793 -0.790 -12.783) 12.932 7.657 ( 5.742 -0.467 2.140) 6.146 7.870 ( 7.170 0.282 -4.486) 8.463 8.314 ( -6.926 0.119 -0.366) 6.937 8.532 ( -5.267 -0.754 -8.076) 9.671 9.188 ( 6.881 -0.508 10.132) 12.258 9.635 ( 7.952 -0.896 -5.122) 9.501 11.393 ( 3.509 -0.181 17.456) 17.806 11.595 ( 1.846 0.540 6.044) 6.343 12.479 ( 1.158 0.430 0.679) 1.410 13.019 ( 3.431 -0.165 -10.971) 11.496 14.084 ( 3.296 2.267 0.734) 4.067 14.157 ( 1.588 2.112 -0.766) 2.751 14.729 ( -0.986 -0.057 11.412) 11.455 15.469 ( -3.579 2.154 0.374) 4.194 15.506 ( -7.815 0.946 0.162) 7.874 16.109 ( -1.842 1.520 3.373) 4.133 16.320 ( -3.437 2.325 -6.009) 7.302 16.737 ( -1.353 0.237 -31.229) 31.259 17.304 ( -3.040 -0.103 1.182) 3.263 17.396 ( -1.335 -0.199 -1.804) 2.253 19.422 ( 0.163 0.248 10.738) 10.742 19.829 ( 0.472 0.147 -0.981) 1.098 ======================= Grid point 612 (172/324) ======================= q-point: ( 0.06 0.06 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.674 ( 25.366 0.000 20.590) 32.671 2.079 ( 25.141 0.000 30.058) 39.186 2.868 ( 38.044 0.000 22.496) 44.197 3.216 ( 12.392 0.000 -13.154) 18.072 3.265 ( 37.628 0.000 -19.291) 42.285 4.912 ( 10.206 0.000 -8.510) 13.288 5.502 ( 26.185 0.000 -5.834) 26.827 5.598 ( 26.614 0.000 0.201) 26.614 6.148 ( -9.353 -0.000 20.482) 22.517 6.802 ( -4.858 -0.000 14.766) 15.545 7.357 ( -10.900 -0.000 -16.025) 19.381 7.576 ( -10.786 -0.000 -9.501) 14.374 8.557 ( 15.443 0.000 7.124) 17.007 9.356 ( 7.724 0.000 -20.230) 21.654 10.205 ( 8.042 0.000 13.806) 15.977 11.025 ( 14.665 0.000 -10.583) 18.085 11.794 ( -9.371 -0.000 16.529) 19.001 12.373 ( -4.368 -0.000 -5.001) 6.640 14.946 ( -15.882 -0.000 4.530) 16.516 15.227 ( -3.775 -0.000 19.577) 19.938 15.263 ( -16.582 -0.000 -4.794) 17.261 15.720 ( 11.393 0.000 3.996) 12.074 16.391 ( 10.935 0.000 -5.567) 12.271 16.598 ( 9.910 0.000 -3.051) 10.369 16.672 ( 8.511 0.000 0.087) 8.512 16.854 ( 1.741 0.000 -1.337) 2.195 16.961 ( 32.559 0.000 -27.055) 42.333 17.268 ( -1.735 -0.000 -23.847) 23.910 19.727 ( 0.063 0.000 -1.601) 1.603 19.941 ( -12.086 -0.000 -1.884) 12.232 ======================= Grid point 613 (173/324) ======================= q-point: ( 0.12 0.06 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.200 ( 30.665 3.622 16.773) 35.139 2.446 ( 17.112 -5.096 39.054) 42.942 3.479 ( 19.843 1.500 -20.168) 28.333 3.778 ( 49.135 -2.100 11.591) 50.528 4.004 ( 38.878 -0.751 -17.460) 42.625 5.079 ( 9.764 1.758 -15.552) 18.447 5.787 ( -5.777 2.136 19.675) 20.616 6.056 ( 28.298 0.872 3.761) 28.560 6.287 ( 20.562 -1.327 1.698) 20.674 6.769 ( 5.282 -0.548 11.954) 13.081 7.097 ( -16.484 1.157 -15.730) 22.814 7.420 ( -3.487 -1.970 -8.237) 9.159 8.875 ( 16.863 -0.379 2.195) 17.009 9.488 ( 5.128 0.143 -19.797) 20.451 10.348 ( 6.915 -0.699 17.728) 19.042 11.242 ( 6.024 -0.352 -2.814) 6.658 11.715 ( 4.115 0.589 9.997) 10.827 12.307 ( -2.161 0.440 -6.104) 6.491 14.656 ( -14.496 0.799 3.791) 15.005 14.947 ( -15.852 2.213 -4.197) 16.547 15.149 ( -4.819 -0.822 17.617) 18.282 15.926 ( 9.445 0.096 3.496) 10.071 16.510 ( 4.435 7.113 -4.311) 9.426 16.671 ( 1.826 10.276 -5.934) 12.006 16.875 ( 9.808 -4.370 1.001) 10.785 16.918 ( 1.580 -11.102 -0.806) 11.243 17.246 ( 0.201 0.935 -19.970) 19.993 17.453 ( 18.372 -1.824 -27.003) 32.712 19.717 ( -6.521 2.278 2.527) 7.356 19.738 ( -3.357 -1.228 0.105) 3.576 ======================= Grid point 614 (174/324) ======================= q-point: ( 0.18 0.06 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.700 ( 25.272 5.448 27.705) 37.894 2.902 ( 27.493 -8.681 21.197) 35.784 3.861 ( 22.569 3.801 -17.673) 28.916 4.624 ( 28.461 0.526 -13.175) 31.367 4.666 ( 36.440 -2.061 -3.462) 36.662 5.306 ( 16.807 4.149 -11.861) 20.985 5.656 ( -3.332 2.039 19.644) 20.028 6.377 ( 5.951 3.868 8.025) 10.714 6.511 ( 3.344 -7.055 3.203) 8.439 6.767 ( -14.553 2.413 -13.694) 20.128 7.179 ( 33.020 -0.316 5.682) 33.507 7.584 ( 20.486 -3.327 -6.933) 21.882 9.128 ( 8.202 -0.582 -4.340) 9.297 9.496 ( -5.188 0.029 -17.134) 17.903 10.492 ( 8.765 -1.287 22.708) 24.374 11.275 ( 0.717 0.018 9.774) 9.800 11.942 ( 17.388 0.266 -3.562) 17.751 12.297 ( 1.701 1.276 -6.460) 6.801 14.403 ( -11.357 2.074 2.805) 11.881 14.654 ( -13.306 3.659 -3.844) 14.325 15.060 ( -5.281 -0.938 16.117) 16.986 16.051 ( 5.355 4.806 2.031) 7.476 16.478 ( -0.963 13.722 -5.786) 14.923 16.603 ( -3.624 4.668 -6.051) 8.458 16.956 ( -4.149 -11.828 -2.544) 12.790 17.045 ( 1.834 -4.588 -5.628) 7.489 17.283 ( 5.393 1.270 -9.500) 10.997 17.684 ( 6.028 -0.345 -19.535) 20.447 19.556 ( -6.543 1.317 7.768) 10.241 19.744 ( 0.789 -0.187 -1.702) 1.885 ======================= Grid point 615 (175/324) ======================= q-point: ( 0.24 0.06 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.147 ( 24.886 0.382 27.435) 37.042 3.492 ( 29.847 -4.426 11.979) 32.464 4.261 ( 22.833 5.956 -14.939) 27.928 4.948 ( 9.832 0.068 -17.248) 19.854 5.097 ( 6.698 -1.430 -0.841) 6.900 5.522 ( 5.417 7.857 -4.006) 10.351 5.760 ( 13.511 0.943 8.795) 16.149 6.287 ( -13.586 3.003 1.622) 14.008 6.601 ( 11.228 -6.544 2.544) 13.243 6.771 ( 15.777 0.577 -5.262) 16.641 7.831 ( 34.213 -1.480 5.738) 34.723 8.127 ( 31.809 -3.049 -4.444) 32.262 9.155 ( -5.405 -1.115 -8.174) 9.862 9.288 ( -16.374 -0.236 -11.820) 20.196 10.717 ( 14.263 -1.310 24.258) 28.171 11.331 ( 5.466 0.799 10.646) 11.993 12.277 ( 15.712 0.980 -7.396) 17.394 12.357 ( 7.004 0.550 -6.352) 9.472 14.214 ( -6.868 3.604 1.726) 7.946 14.415 ( -9.163 5.051 -3.302) 10.972 14.964 ( -5.480 -0.742 15.088) 16.069 16.067 ( 1.077 10.513 2.251) 10.805 16.323 ( -6.296 14.327 -7.130) 17.197 16.482 ( -7.912 -0.829 -5.745) 9.813 16.885 ( -9.765 -8.362 -3.728) 13.386 17.018 ( -5.171 -1.412 -14.536) 15.493 17.394 ( 5.074 0.044 -1.187) 5.211 17.701 ( -3.360 0.785 -11.338) 11.852 19.464 ( -2.717 0.955 9.282) 9.718 19.765 ( 1.375 0.040 -1.556) 2.076 ======================= Grid point 616 (176/324) ======================= q-point: ( 0.29 0.06 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.618 ( 24.562 -1.373 22.441) 33.298 4.041 ( 26.050 -1.995 8.424) 27.451 4.624 ( 19.428 6.606 -12.099) 23.822 5.016 ( -1.094 1.475 0.658) 1.951 5.153 ( -0.175 -6.192 -12.302) 13.774 5.467 ( -2.775 9.613 -2.008) 10.205 5.922 ( 3.676 -1.945 -1.889) 4.567 5.998 ( -13.880 2.874 0.339) 14.179 7.001 ( 23.872 -3.679 2.636) 24.297 7.193 ( 25.994 1.051 -3.430) 26.240 8.440 ( 29.175 -1.292 7.062) 30.045 8.695 ( 20.909 -3.498 -3.609) 21.504 8.926 ( -20.614 -0.085 -6.652) 21.661 9.021 ( -4.206 -1.663 -8.664) 9.774 11.007 ( 14.920 -0.943 22.074) 26.660 11.446 ( 6.817 1.260 8.728) 11.146 12.402 ( 4.556 2.374 -3.641) 6.297 12.631 ( 15.370 -1.186 -10.048) 18.401 14.109 ( -1.632 4.700 0.908) 5.058 14.260 ( -3.756 5.779 -2.574) 7.357 14.865 ( -5.367 -0.333 14.273) 15.252 15.954 ( -5.847 12.930 3.665) 14.656 16.079 ( -11.892 9.359 -7.006) 16.677 16.334 ( -8.296 -2.020 -3.912) 9.392 16.707 ( -12.296 -3.243 -4.261) 13.411 16.906 ( -6.490 -0.027 -20.962) 21.944 17.445 ( 0.523 0.187 -0.317) 0.640 17.581 ( -7.829 1.283 -4.920) 9.335 19.432 ( -0.450 0.736 10.002) 10.040 19.793 ( 1.602 0.238 -1.249) 2.045 ======================= Grid point 617 (177/324) ======================= q-point: ( 0.35 0.06 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.052 ( 20.040 -1.144 18.626) 27.383 4.468 ( 18.250 -0.271 6.188) 19.272 4.880 ( 9.913 2.819 -8.379) 13.283 4.968 ( -1.955 1.881 4.173) 4.977 5.160 ( -1.660 -5.709 -9.419) 11.139 5.369 ( -2.008 8.006 -3.353) 8.909 5.754 ( -10.327 1.963 0.882) 10.549 5.991 ( 3.164 -2.625 -9.007) 9.901 7.419 ( 17.602 -1.485 2.405) 17.828 7.628 ( 19.628 1.154 -3.981) 20.061 8.554 ( -17.379 0.053 -2.612) 17.575 8.670 ( -10.798 -1.955 -7.339) 13.202 8.924 ( 20.121 -0.265 8.253) 21.749 9.315 ( 20.650 -2.986 -4.847) 21.420 11.254 ( 10.463 -0.492 19.392) 22.040 11.550 ( 4.713 1.162 7.023) 8.537 12.460 ( 2.770 1.497 -1.311) 3.411 12.881 ( 10.315 -0.779 -10.850) 14.991 14.091 ( 2.297 4.524 0.662) 5.117 14.202 ( 0.633 5.215 -1.718) 5.527 14.774 ( -4.225 -0.330 13.016) 13.688 15.718 ( -10.848 8.939 1.986) 14.196 15.783 ( -14.345 5.013 -3.515) 15.598 16.204 ( -6.569 -0.865 0.221) 6.630 16.492 ( -11.206 -0.429 -4.863) 12.223 16.797 ( -4.672 0.077 -27.235) 27.633 17.413 ( -4.684 1.816 -0.633) 5.064 17.439 ( -3.958 0.576 -1.451) 4.255 19.427 ( 0.109 0.570 10.536) 10.552 19.818 ( 1.200 0.315 -0.982) 1.582 ======================= Grid point 618 (178/324) ======================= q-point: ( 0.41 0.06 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.338 ( 8.791 -0.304 17.655) 19.725 4.700 ( 5.957 0.442 4.393) 7.415 4.918 ( -2.602 0.481 2.052) 3.348 4.973 ( 2.488 -2.179 -3.088) 4.525 5.206 ( 4.085 1.043 -7.407) 8.523 5.276 ( -4.797 2.640 -4.451) 7.056 5.603 ( -4.410 1.143 1.375) 4.759 6.063 ( 2.356 -1.866 -12.638) 12.990 7.651 ( 6.282 -0.538 2.299) 6.711 7.876 ( 6.978 0.761 -4.644) 8.417 8.315 ( -7.069 0.019 -0.501) 7.087 8.522 ( -4.373 -0.821 -7.862) 9.034 9.192 ( 8.157 1.209 9.699) 12.731 9.615 ( 8.477 -2.336 -4.769) 10.003 11.391 ( 3.772 -0.099 17.558) 17.958 11.601 ( 1.194 0.480 6.023) 6.159 12.485 ( 0.622 0.549 0.479) 0.958 13.016 ( 3.667 -0.248 -11.000) 11.597 14.110 ( 0.639 2.061 0.840) 2.315 14.188 ( -0.514 2.924 -0.846) 3.087 14.724 ( -1.293 -0.780 11.296) 11.396 15.506 ( -6.013 3.744 -2.107) 7.390 15.534 ( -7.803 3.782 2.328) 8.979 16.102 ( -5.066 -2.661 3.293) 6.602 16.318 ( -7.599 -2.468 -5.577) 9.744 16.738 ( -1.729 -0.157 -31.070) 31.119 17.320 ( -2.035 2.453 0.873) 3.305 17.401 ( -0.648 1.011 -1.772) 2.140 19.425 ( -0.119 0.259 10.805) 10.809 19.831 ( 0.322 0.186 -0.911) 0.984 ======================= Grid point 619 (179/324) ======================= q-point: (-0.53 0.06 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.351 ( -7.280 0.657 17.503) 18.968 4.677 ( -8.133 -1.279 3.383) 8.901 4.894 ( 0.261 -0.895 2.615) 2.776 5.017 ( -1.641 -0.056 -2.178) 2.728 5.164 ( -4.404 -1.325 -5.409) 7.100 5.268 ( 3.293 1.604 -6.741) 7.671 5.580 ( 1.884 -0.556 1.380) 2.401 6.082 ( -1.191 -0.462 -12.949) 13.012 7.662 ( -5.130 0.368 2.233) 5.607 7.870 ( -7.365 0.291 -4.239) 8.503 8.312 ( 6.789 -0.216 -0.293) 6.799 8.540 ( 6.199 0.554 -8.297) 10.372 9.204 ( -5.774 2.190 9.807) 11.590 9.636 ( -7.329 -0.699 -4.946) 8.869 11.395 ( -3.233 0.250 17.367) 17.667 11.588 ( -2.517 -0.527 6.080) 6.602 12.475 ( -1.620 -0.231 0.802) 1.822 13.020 ( -3.301 0.047 -10.898) 11.387 14.057 ( -5.815 -2.148 0.711) 6.240 14.138 ( -4.105 -1.113 -1.055) 4.382 14.727 ( 1.019 -0.450 11.967) 12.018 15.459 ( 1.449 0.594 1.212) 1.980 15.509 ( 6.858 1.341 -0.564) 7.010 16.066 ( -0.760 -5.512 3.382) 6.512 16.262 ( -0.824 -7.261 -5.436) 9.108 16.733 ( 0.921 -0.481 -32.147) 32.164 17.322 ( 3.822 2.623 1.080) 4.760 17.406 ( 1.944 1.409 -1.614) 2.893 19.419 ( -0.462 -0.202 10.701) 10.713 19.828 ( -0.630 -0.083 -1.045) 1.223 ======================= Grid point 620 (180/324) ======================= q-point: (-0.47 0.06 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.093 ( -18.210 2.183 16.845) 24.902 4.442 ( -17.558 -2.420 4.565) 18.303 4.814 ( -16.374 -2.978 -4.396) 17.214 4.940 ( 2.190 0.015 3.315) 3.973 5.175 ( -0.908 -6.915 -2.178) 7.306 5.320 ( 5.305 6.424 -9.887) 12.929 5.665 ( 4.997 -4.585 1.019) 6.857 6.043 ( -1.889 1.065 -10.546) 10.767 7.460 ( -15.251 1.827 1.887) 15.475 7.609 ( -19.788 -0.280 -2.746) 19.979 8.551 ( 17.494 -0.166 -1.958) 17.604 8.722 ( 12.554 2.192 -8.300) 15.208 8.961 ( -17.817 2.748 8.262) 19.831 9.365 ( -20.576 0.877 -5.208) 21.243 11.270 ( -9.616 0.788 18.983) 21.294 11.517 ( -5.631 -1.484 7.290) 9.331 12.427 ( -3.924 -1.022 -0.502) 4.086 12.894 ( -10.031 0.173 -10.708) 14.674 13.969 ( -4.751 -5.157 0.344) 7.020 14.072 ( -3.709 -5.117 -1.834) 6.580 14.774 ( 3.882 -0.124 14.082) 14.608 15.527 ( 2.891 -6.490 3.044) 7.729 15.683 ( 8.911 -2.992 -3.026) 9.875 16.154 ( 6.733 -4.620 0.276) 8.170 16.395 ( 9.908 -8.676 -4.139) 13.805 16.777 ( 3.348 -1.312 -30.579) 30.790 17.414 ( 6.306 2.027 0.111) 6.625 17.453 ( 4.332 1.642 -1.035) 4.747 19.412 ( -0.554 -0.657 10.282) 10.318 19.810 ( -1.287 -0.294 -1.320) 1.867 ======================= Grid point 621 (181/324) ======================= q-point: (-0.41 0.06 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.675 ( -24.015 3.360 17.392) 29.842 4.067 ( -23.013 -0.466 8.072) 24.392 4.472 ( -21.933 -5.559 -7.737) 23.913 4.972 ( -0.719 -1.770 1.552) 2.461 5.172 ( -3.269 -7.843 -2.610) 8.889 5.382 ( 4.010 5.946 -10.492) 12.709 5.764 ( -2.002 -9.299 0.710) 9.538 6.050 ( 5.830 1.789 -5.601) 8.280 7.096 ( -21.199 3.182 1.234) 21.472 7.185 ( -22.660 1.502 -0.770) 22.723 8.493 ( -27.857 2.910 6.921) 28.850 8.787 ( -21.412 3.668 -4.272) 22.140 8.929 ( 20.694 0.176 -5.850) 21.506 9.063 ( 5.302 1.577 -9.676) 11.145 11.039 ( -13.733 1.660 21.716) 25.747 11.405 ( -7.049 -2.044 9.376) 11.907 12.346 ( -5.479 -1.972 -2.723) 6.429 12.649 ( -15.652 0.184 -10.145) 18.653 13.968 ( 1.142 -6.448 0.332) 6.557 14.093 ( 2.346 -7.402 -2.321) 8.104 14.867 ( 5.698 -0.116 14.822) 15.880 15.627 ( 1.317 -13.574 4.274) 14.292 15.839 ( 3.653 -9.956 -4.806) 11.643 16.340 ( 9.966 -1.022 -4.599) 11.024 16.698 ( 16.273 -4.859 -3.374) 17.315 16.878 ( 6.575 -1.823 -25.456) 26.354 17.465 ( 0.889 2.006 0.415) 2.233 17.572 ( 7.507 0.730 -3.313) 8.238 19.410 ( -0.004 -1.024 9.741) 9.795 19.786 ( -1.417 -0.283 -1.646) 2.190 ======================= Grid point 622 (182/324) ======================= q-point: (-0.35 0.06 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.175 ( -26.972 3.083 18.113) 32.636 3.605 ( -24.612 3.980 14.252) 28.718 4.085 ( -23.076 -7.476 -11.485) 26.838 4.897 ( -9.646 -4.251 -6.065) 12.161 5.135 ( -7.464 -1.057 -6.263) 9.801 5.338 ( -8.966 -4.160 -6.496) 11.828 5.646 ( -13.536 -7.802 7.698) 17.417 6.251 ( 13.429 -1.109 -2.240) 13.659 6.695 ( -17.152 0.104 0.614) 17.163 6.846 ( -9.212 8.274 -0.288) 12.386 7.885 ( -34.523 2.726 5.446) 35.056 8.218 ( -30.760 3.903 -5.526) 31.495 9.195 ( 5.199 2.079 -8.819) 10.447 9.296 ( 16.051 0.383 -11.216) 19.585 10.767 ( -12.953 2.749 23.990) 27.402 11.299 ( -4.814 -1.823 11.894) 12.960 12.244 ( -8.963 -1.602 -5.955) 10.880 12.336 ( -14.976 -1.261 -7.753) 16.911 14.089 ( 7.619 -6.188 0.867) 9.854 14.248 ( 8.932 -8.059 -2.552) 12.298 14.978 ( 6.065 0.222 14.211) 15.453 15.737 ( 0.882 -15.723 5.321) 16.622 15.951 ( 0.504 -15.325 -6.311) 16.582 16.500 ( 6.554 0.716 -8.869) 11.051 16.974 ( 8.523 -3.725 -6.645) 11.431 17.060 ( 13.424 3.714 -14.560) 20.149 17.423 ( -4.175 2.656 0.792) 5.011 17.683 ( 3.679 -0.508 -8.940) 9.681 19.432 ( 1.757 -1.553 9.236) 9.529 19.764 ( -1.015 -0.047 -1.888) 2.144 ======================= Grid point 623 (183/324) ======================= q-point: (-0.29 0.06 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.644 ( -27.937 1.431 18.134) 33.338 3.119 ( -22.758 8.752 22.315) 33.053 3.713 ( -21.098 -7.295 -15.386) 27.112 4.599 ( -27.724 -2.115 -3.835) 28.068 4.738 ( -31.604 3.722 -12.910) 34.341 5.119 ( -16.196 -10.933 -8.940) 21.489 5.560 ( 1.418 -5.765 18.775) 19.692 6.340 ( -9.891 0.958 11.754) 15.392 6.644 ( 9.296 -7.544 -13.961) 18.392 6.716 ( -0.159 9.750 -0.038) 9.752 7.208 ( -33.696 2.139 5.818) 34.261 7.702 ( -18.254 5.426 -8.824) 20.988 9.155 ( -8.355 1.572 -4.754) 9.741 9.496 ( 4.651 0.049 -16.581) 17.221 10.550 ( -8.202 3.406 22.419) 24.114 11.269 ( 0.920 -0.556 11.964) 12.012 11.929 ( -19.136 -0.857 -5.073) 19.815 12.243 ( -1.244 -2.929 -6.174) 6.946 14.315 ( 12.614 -4.836 1.851) 13.636 14.509 ( 13.460 -7.548 -2.290) 15.601 15.086 ( 5.674 0.751 12.925) 14.136 15.837 ( 0.526 -12.084 5.474) 13.276 16.050 ( -0.619 -18.757 -6.802) 19.962 16.564 ( 0.322 0.551 -7.736) 7.762 17.094 ( 2.917 -1.734 -6.506) 7.338 17.236 ( 5.500 8.556 -4.963) 11.317 17.284 ( -5.958 3.732 -4.627) 8.416 17.694 ( -3.000 0.254 -17.970) 18.220 19.504 ( 4.672 -2.724 8.323) 9.926 19.750 ( -0.269 0.308 -1.902) 1.946 ======================= Grid point 624 (184/324) ======================= q-point: (-0.24 0.06 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.124 ( -26.714 0.492 18.299) 32.384 2.660 ( -20.277 10.634 28.591) 36.629 3.389 ( -17.621 -5.130 -18.891) 26.338 3.892 ( -41.905 5.543 9.279) 43.276 4.055 ( -37.559 3.513 -16.150) 41.034 4.957 ( -8.244 -8.197 -13.446) 17.774 5.659 ( 0.757 -7.800 19.007) 20.559 6.003 ( -23.324 -2.721 11.435) 26.118 6.342 ( -31.519 1.750 -2.700) 31.682 6.841 ( 1.583 6.207 9.856) 11.755 7.001 ( 14.013 -6.717 -14.897) 21.527 7.541 ( 3.917 6.799 -10.577) 13.170 8.900 ( -16.182 1.686 1.617) 16.349 9.481 ( -5.273 -0.360 -19.063) 19.783 10.394 ( -7.251 2.894 17.284) 18.965 11.264 ( -5.882 1.317 -1.923) 6.327 11.673 ( -5.006 -2.878 10.006) 11.552 12.279 ( 3.273 -1.678 -6.171) 7.184 14.605 ( 15.509 -3.079 3.011) 16.096 14.824 ( 15.074 -6.811 -0.773) 16.559 15.183 ( 5.482 1.306 11.268) 12.599 15.887 ( -0.938 -4.304 4.541) 6.326 16.149 ( -1.289 -18.508 -5.945) 19.482 16.497 ( -7.520 -1.805 -2.586) 8.154 17.050 ( -10.277 6.508 0.509) 12.175 17.099 ( -3.727 -0.341 -4.985) 6.234 17.268 ( -2.767 5.813 -12.238) 13.828 17.567 ( -7.115 7.044 -27.607) 29.366 19.634 ( 6.221 -4.403 5.434) 9.360 19.756 ( 1.629 0.446 -1.276) 2.117 ======================= Grid point 625 (185/324) ======================= q-point: (-0.18 0.06 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.655 ( -22.151 1.642 20.721) 30.376 2.191 ( -25.817 8.894 25.230) 37.178 3.008 ( -28.934 6.217 -0.579) 29.600 3.213 ( -19.662 4.508 3.995) 20.564 3.353 ( -30.704 5.230 -16.461) 35.229 4.859 ( -7.913 -4.545 -9.987) 13.528 5.397 ( -25.527 -6.428 2.149) 26.412 5.610 ( -28.936 -0.754 -0.989) 28.963 6.028 ( 3.423 -9.196 20.638) 22.852 6.875 ( 5.096 7.058 11.351) 14.304 7.299 ( 11.825 -7.586 -16.854) 21.942 7.674 ( 12.744 8.285 -11.523) 19.074 8.588 ( -14.473 2.411 6.575) 16.079 9.352 ( -7.405 -0.208 -19.633) 20.984 10.230 ( -8.551 1.845 13.241) 15.870 11.023 ( -15.715 -0.161 -10.168) 18.718 11.770 ( 9.584 -1.953 17.254) 19.834 12.368 ( 5.061 -0.374 -5.267) 7.314 14.920 ( 16.241 -1.675 3.968) 16.802 15.123 ( 10.920 -6.399 7.502) 14.714 15.293 ( 8.345 1.347 4.255) 9.464 15.824 ( -5.686 6.815 4.300) 9.862 16.187 ( -5.606 -12.069 -5.431) 14.373 16.372 ( -7.315 -9.933 -0.363) 12.341 16.806 ( -11.620 5.796 -1.170) 13.038 16.974 ( -11.557 3.935 -4.539) 13.025 16.994 ( -20.794 1.623 -18.550) 27.912 17.441 ( 1.075 13.379 -26.151) 29.394 19.716 ( 0.748 -1.293 -0.541) 1.589 19.870 ( 8.817 -4.805 0.057) 10.041 ======================= Grid point 626 (186/324) ======================= q-point: (-0.12 0.06 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.295 ( -14.580 3.515 24.659) 28.862 1.543 ( -33.122 11.880 18.620) 39.811 2.547 ( -11.613 11.007 29.555) 33.608 2.715 ( -22.984 5.562 -19.047) 30.364 3.087 ( -4.267 2.789 -8.166) 9.626 4.661 ( -13.289 -0.950 7.102) 15.098 5.083 ( -15.997 -4.667 -7.373) 18.222 5.145 ( -13.709 -3.323 -14.411) 20.166 6.240 ( 8.473 -14.385 22.731) 28.203 6.921 ( 3.344 5.139 13.796) 15.097 7.513 ( 6.523 -5.437 -17.231) 19.210 7.842 ( 9.762 11.728 -13.883) 20.630 8.371 ( -6.258 3.611 8.402) 11.081 9.243 ( -3.594 0.208 -19.974) 20.296 10.073 ( -6.616 0.704 11.420) 13.217 10.751 ( -12.635 -0.645 -9.072) 15.568 11.975 ( 10.021 -2.032 14.381) 17.646 12.453 ( 3.588 0.305 -4.239) 5.562 15.214 ( 12.930 -0.384 4.875) 13.824 15.271 ( 4.590 -2.883 18.384) 19.166 15.471 ( 4.697 -1.141 -3.299) 5.852 15.641 ( -5.252 5.759 1.755) 7.990 16.070 ( -12.756 1.271 -9.042) 15.687 16.295 ( -8.760 -5.108 0.161) 10.142 16.416 ( -23.512 3.357 -9.518) 25.587 16.599 ( -8.033 4.483 -1.899) 9.393 16.836 ( -4.994 0.262 -1.923) 5.357 17.403 ( 1.723 10.713 -24.625) 26.909 19.726 ( 0.144 -0.230 -1.236) 1.266 20.075 ( 7.858 -7.976 -6.832) 13.116 ======================= Grid point 627 (187/324) ======================= q-point: (-0.06 0.06 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.001 ( -0.000 12.300 22.466) 25.613 1.184 ( -0.000 5.712 29.287) 29.839 2.396 ( -0.000 8.153 40.636) 41.446 2.450 ( -0.000 4.134 -25.096) 25.435 3.038 ( -0.000 1.849 -9.498) 9.676 4.519 ( 0.000 -0.472 11.729) 11.738 4.896 ( 0.000 -1.225 -2.145) 2.470 5.091 ( 0.000 -4.187 -25.082) 25.430 6.432 ( 0.000 -14.609 18.228) 23.360 6.934 ( -0.000 1.230 15.907) 15.955 7.595 ( 0.000 -0.427 -17.180) 17.185 7.859 ( -0.000 11.771 -12.651) 17.280 8.296 ( -0.000 3.936 7.717) 8.662 9.214 ( -0.000 0.324 -20.884) 20.887 10.005 ( 0.000 -0.076 11.153) 11.153 10.616 ( 0.000 -0.138 -6.564) 6.565 12.105 ( 0.000 -2.435 9.860) 10.156 12.486 ( -0.000 0.426 -3.698) 3.723 15.301 ( 0.000 -0.235 18.750) 18.751 15.404 ( -0.000 1.801 0.792) 1.968 15.464 ( -0.000 1.910 -0.974) 2.144 15.501 ( 0.000 -2.664 9.277) 9.652 15.887 ( -0.000 10.370 -6.459) 12.218 16.177 ( -0.000 0.713 0.598) 0.931 16.215 ( -0.000 0.476 -0.507) 0.695 16.512 ( -0.000 1.206 -0.002) 1.206 16.806 ( 0.000 -2.977 -2.542) 3.915 17.364 ( -0.000 7.861 -24.745) 25.964 19.728 ( 0.000 -0.053 -1.370) 1.371 20.208 ( 0.000 -7.483 -13.430) 15.374 ======================= Grid point 630 (188/324) ======================= q-point: ( 0.12 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.757 ( 19.256 0.000 38.222) 42.798 2.826 ( 33.555 0.000 11.880) 35.596 3.884 ( 22.814 0.000 -17.807) 28.941 4.629 ( 25.479 0.000 -20.683) 32.817 4.651 ( 40.257 0.000 4.063) 40.462 5.331 ( 16.942 0.000 -12.340) 20.959 5.669 ( -3.568 -0.000 19.696) 20.016 6.431 ( 0.453 0.000 6.091) 6.108 6.438 ( 8.516 0.000 5.031) 9.891 6.781 ( -14.982 -0.000 -13.772) 20.350 7.178 ( 32.669 0.000 5.698) 33.162 7.563 ( 20.947 0.000 -6.517) 21.937 9.125 ( 8.180 0.000 -4.285) 9.234 9.497 ( -5.284 -0.000 -17.212) 18.004 10.484 ( 8.859 0.000 22.745) 24.409 11.275 ( 0.961 0.000 9.476) 9.524 11.944 ( 17.162 0.000 -3.341) 17.484 12.305 ( 1.739 0.000 -6.516) 6.744 14.416 ( -11.190 -0.000 2.924) 11.566 14.676 ( -13.357 -0.000 -4.317) 14.037 15.054 ( -5.161 -0.000 16.781) 17.557 16.080 ( 6.521 0.000 1.413) 6.673 16.558 ( -1.565 -0.000 -2.830) 3.234 16.667 ( -5.803 -0.000 -11.006) 12.442 16.853 ( -2.840 -0.000 -0.132) 2.843 17.015 ( 3.488 0.000 -5.085) 6.167 17.291 ( 4.877 0.000 -10.158) 11.269 17.682 ( 6.518 0.000 -19.727) 20.776 19.564 ( -6.870 -0.000 7.686) 10.308 19.743 ( 0.907 0.000 -1.679) 1.909 ======================= Grid point 631 (189/324) ======================= q-point: ( 0.18 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.153 ( 23.317 0.469 31.183) 38.939 3.452 ( 31.836 -1.889 9.755) 33.351 4.312 ( 23.063 2.298 -15.266) 27.753 4.944 ( 9.758 -0.399 -22.164) 24.220 5.088 ( 5.540 -0.313 3.601) 6.615 5.596 ( 7.609 3.865 -7.684) 11.483 5.756 ( 10.243 -0.984 12.602) 16.269 6.325 ( -14.235 2.428 0.426) 14.447 6.535 ( 13.277 -3.528 4.358) 14.412 6.778 ( 15.649 0.336 -6.276) 16.864 7.819 ( 34.181 -0.484 5.843) 34.681 8.101 ( 32.136 -1.168 -4.044) 32.411 9.146 ( -5.504 -0.388 -8.025) 9.738 9.286 ( -16.443 -0.084 -11.951) 20.328 10.706 ( 14.549 -0.445 24.303) 28.329 11.337 ( 5.654 0.266 10.364) 11.809 12.285 ( 18.088 0.348 -7.882) 19.734 12.362 ( 4.344 0.183 -5.881) 7.313 14.243 ( -6.693 1.271 1.917) 7.078 14.457 ( -9.247 1.849 -3.714) 10.135 14.957 ( -5.268 -0.334 15.488) 16.363 16.158 ( 2.784 4.163 -0.075) 5.009 16.457 ( -8.061 4.258 -3.032) 9.607 16.482 ( -11.439 3.235 -8.228) 14.457 16.790 ( -6.720 -6.010 -2.192) 9.278 17.001 ( -4.210 -0.918 -14.527) 15.152 17.396 ( 4.968 0.182 -2.020) 5.366 17.708 ( -3.011 0.313 -11.836) 12.217 19.472 ( -2.973 0.343 9.293) 9.763 19.765 ( 1.467 0.015 -1.475) 2.081 ======================= Grid point 632 (190/324) ======================= q-point: ( 0.24 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.607 ( 24.440 -0.549 24.320) 34.483 4.019 ( 27.056 -1.450 7.831) 28.203 4.696 ( 19.414 4.868 -12.802) 23.759 5.028 ( -0.767 0.382 -5.703) 5.767 5.087 ( -2.584 -4.283 -5.971) 7.790 5.578 ( -2.381 8.373 -5.027) 10.052 5.862 ( -1.232 -5.979 2.515) 6.602 6.048 ( -11.523 3.570 -1.196) 12.123 6.965 ( 25.946 -2.158 3.251) 26.238 7.204 ( 26.156 0.709 -4.091) 26.484 8.430 ( 30.031 -0.446 6.933) 30.824 8.661 ( 21.000 -2.162 -3.235) 21.357 8.925 ( -20.720 -0.029 -6.872) 21.830 9.004 ( -4.312 -1.002 -8.340) 9.442 10.998 ( 15.243 -0.482 22.175) 26.913 11.458 ( 6.790 0.661 8.548) 10.937 12.427 ( 3.942 1.589 -4.036) 5.861 12.617 ( 15.636 -0.959 -9.920) 18.542 14.153 ( -1.770 2.567 1.102) 3.307 14.315 ( -4.122 3.320 -2.893) 6.032 14.860 ( -5.274 -0.357 14.323) 15.267 16.097 ( -6.231 10.696 2.142) 12.563 16.177 ( -15.720 6.484 -8.446) 18.986 16.295 ( -9.108 -4.576 -1.014) 10.243 16.662 ( -9.977 -3.668 -3.441) 11.173 16.901 ( -6.327 -0.603 -21.094) 22.030 17.449 ( 0.915 0.397 -0.670) 1.202 17.597 ( -7.504 1.065 -5.488) 9.357 19.439 ( -0.599 0.405 10.100) 10.126 19.795 ( 1.664 0.135 -1.126) 2.014 ======================= Grid point 633 (191/324) ======================= q-point: ( 0.29 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.042 ( 20.611 -0.575 19.409) 28.317 4.460 ( 18.764 -0.831 6.301) 19.811 4.916 ( 4.374 3.084 -8.783) 10.285 4.988 ( -2.140 1.277 4.351) 5.014 5.098 ( 3.931 -4.540 -10.003) 11.667 5.462 ( -5.126 7.178 -4.347) 9.834 5.759 ( -9.760 -1.076 1.480) 9.930 5.966 ( 2.304 -1.442 -8.407) 8.835 7.404 ( 18.416 -1.029 2.766) 18.651 7.642 ( 19.508 0.967 -4.319) 20.004 8.554 ( -17.379 0.009 -2.881) 17.616 8.650 ( -10.236 -1.329 -6.991) 12.466 8.927 ( 21.645 0.582 7.679) 22.974 9.279 ( 20.287 -2.776 -4.266) 20.916 11.250 ( 10.745 -0.297 19.548) 22.308 11.562 ( 4.408 0.761 6.940) 8.257 12.476 ( 2.146 1.168 -1.727) 2.992 12.872 ( 10.656 -0.690 -10.803) 15.190 14.138 ( 1.378 3.074 0.836) 3.471 14.258 ( -0.221 3.929 -2.021) 4.424 14.768 ( -4.646 -0.635 12.970) 13.792 15.819 ( -15.148 7.032 -2.015) 16.822 15.847 ( -14.315 6.025 -0.701) 15.547 16.176 ( -7.493 -3.507 1.092) 8.345 16.471 ( -11.887 -2.432 -4.013) 12.780 16.795 ( -4.822 -0.399 -27.330) 27.755 17.436 ( -1.978 1.517 -1.069) 2.712 17.452 ( -5.506 1.543 -1.624) 5.944 19.433 ( -0.043 0.391 10.658) 10.665 19.821 ( 1.175 0.228 -0.856) 1.472 ======================= Grid point 634 (192/324) ======================= q-point: ( 0.35 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.336 ( 9.231 -0.069 17.854) 20.099 4.702 ( 5.727 -0.232 4.788) 7.469 4.907 ( -3.217 -2.008 0.292) 3.803 4.968 ( 2.549 1.020 -1.935) 3.359 5.216 ( 4.614 0.645 -8.003) 9.260 5.309 ( -7.321 2.536 -3.577) 8.534 5.617 ( -4.646 1.188 1.190) 4.941 6.038 ( 2.815 -2.247 -12.564) 13.070 7.645 ( 6.757 -0.458 2.621) 7.261 7.886 ( 6.786 0.840 -4.710) 8.303 8.315 ( -7.194 -0.036 -0.660) 7.224 8.513 ( -3.648 -0.700 -7.682) 8.533 9.214 ( 9.375 2.347 8.684) 12.993 9.582 ( 8.836 -3.102 -3.998) 10.182 11.390 ( 3.991 -0.036 17.653) 18.099 11.606 ( 0.650 0.358 6.017) 6.063 12.492 ( 0.113 0.514 0.251) 0.583 13.013 ( 3.947 -0.251 -10.993) 11.682 14.132 ( -1.742 1.525 0.992) 2.519 14.225 ( -2.120 3.087 -1.309) 3.967 14.711 ( -1.601 -1.301 11.635) 11.816 15.553 ( -7.662 4.045 -3.861) 9.485 15.596 ( -7.477 6.307 3.571) 10.413 16.050 ( -8.257 -5.768 3.226) 10.576 16.271 ( -11.118 -4.965 -4.450) 12.964 16.735 ( -1.787 -0.257 -31.530) 31.582 17.356 ( -1.438 3.212 0.358) 3.538 17.417 ( -0.137 1.474 -1.570) 2.158 19.428 ( -0.352 0.219 10.885) 10.893 19.833 ( 0.199 0.174 -0.847) 0.888 ======================= Grid point 635 (193/324) ======================= q-point: (-0.59 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.359 ( -6.437 0.618 17.495) 18.652 4.662 ( -9.536 -1.186 3.107) 10.100 4.884 ( 0.197 -0.814 3.068) 3.180 5.006 ( -2.436 -1.366 -2.690) 3.878 5.159 ( -6.014 0.359 -4.785) 7.694 5.286 ( 4.508 1.124 -6.437) 7.938 5.579 ( 0.581 0.390 0.915) 1.152 6.070 ( -0.614 -1.354 -13.151) 13.235 7.666 ( -4.451 0.344 2.512) 5.123 7.876 ( -7.582 0.588 -3.929) 8.560 8.309 ( 6.683 -0.253 -0.290) 6.694 8.545 ( 7.030 0.317 -8.502) 11.036 9.238 ( -5.030 3.314 8.838) 10.696 9.620 ( -6.651 -1.985 -4.295) 8.162 11.398 ( -2.978 0.266 17.304) 17.561 11.583 ( -3.118 -0.442 6.123) 6.885 12.474 ( -1.949 -0.050 0.837) 2.122 13.020 ( -3.286 -0.049 -10.792) 11.281 14.034 ( -7.955 -1.772 0.769) 8.186 14.130 ( -6.721 -0.286 -1.604) 6.916 14.720 ( 1.589 -0.595 12.802) 12.914 15.484 ( -0.751 3.577 1.548) 3.969 15.537 ( 5.837 3.370 -0.921) 6.802 15.982 ( -2.191 -8.332 3.259) 9.211 16.154 ( -4.720 -10.217 -4.531) 12.132 16.727 ( 0.623 -0.412 -33.183) 33.192 17.360 ( 3.972 3.503 0.737) 5.347 17.426 ( 2.271 1.901 -1.310) 3.239 19.417 ( -0.738 -0.141 10.696) 10.723 19.827 ( -0.776 -0.025 -1.096) 1.343 ======================= Grid point 636 (194/324) ======================= q-point: (-0.53 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.121 ( -17.066 2.329 16.093) 23.572 4.408 ( -17.947 -3.042 3.599) 18.555 4.778 ( -17.369 -3.027 -2.900) 17.868 4.945 ( 2.348 0.490 4.401) 5.012 5.101 ( -4.120 -5.017 -2.986) 7.146 5.393 ( 7.953 5.355 -9.666) 13.615 5.612 ( 1.539 -3.873 1.162) 4.326 6.047 ( -1.518 -0.246 -11.513) 11.615 7.483 ( -13.906 1.930 1.814) 14.156 7.608 ( -19.827 0.090 -1.948) 19.922 8.549 ( 17.645 -0.169 -1.700) 17.728 8.747 ( 13.611 1.845 -8.840) 16.335 8.999 ( -17.619 3.371 7.619) 19.489 9.368 ( -20.159 -0.390 -4.811) 20.728 11.280 ( -9.139 0.810 18.804) 20.923 11.500 ( -6.148 -1.359 7.429) 9.738 12.418 ( -4.236 -0.524 -0.303) 4.279 12.894 ( -10.193 -0.203 -10.473) 14.615 13.911 ( -5.923 -4.475 0.279) 7.429 14.016 ( -5.514 -4.179 -2.123) 7.237 14.774 ( 4.042 0.202 14.864) 15.405 15.460 ( -2.146 -4.608 3.362) 6.095 15.656 ( 4.830 -1.409 -2.964) 5.839 16.090 ( 8.764 -5.779 0.687) 10.521 16.272 ( 10.590 -11.363 -3.163) 15.851 16.762 ( 2.705 -1.194 -32.722) 32.855 17.445 ( 5.935 2.916 0.073) 6.613 17.476 ( 4.587 2.084 -0.770) 5.097 19.404 ( -0.795 -0.577 10.202) 10.249 19.807 ( -1.344 -0.221 -1.483) 2.014 ======================= Grid point 637 (195/324) ======================= q-point: (-0.47 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.720 ( -23.171 4.012 14.972) 27.878 4.050 ( -21.623 -2.279 6.706) 22.754 4.412 ( -22.906 -4.489 -4.442) 23.761 4.952 ( -4.145 -1.724 0.065) 4.490 5.075 ( -0.972 -7.259 1.230) 7.427 5.465 ( 2.294 7.356 -11.888) 14.167 5.652 ( -3.296 -9.100 1.328) 9.769 6.058 ( 3.885 -0.523 -8.296) 9.176 7.122 ( -23.644 1.367 1.616) 23.739 7.220 ( -16.965 4.009 -0.031) 17.432 8.529 ( -27.902 3.019 6.544) 28.817 8.827 ( -22.537 2.945 -4.289) 23.129 8.931 ( 20.847 0.189 -5.345) 21.522 9.079 ( 7.163 1.110 -10.235) 12.542 11.060 ( -12.955 1.809 21.513) 25.178 11.380 ( -7.322 -2.126 9.754) 12.381 12.326 ( -5.817 -1.256 -2.502) 6.455 12.648 ( -16.024 -0.461 -9.955) 18.870 13.892 ( 0.903 -5.931 0.050) 6.000 14.008 ( 1.477 -6.775 -2.385) 7.332 14.865 ( 5.613 -0.056 15.269) 16.268 15.471 ( -1.773 -12.283 4.337) 13.146 15.725 ( -0.004 -8.885 -4.289) 9.866 16.324 ( 11.995 -1.567 -2.994) 12.462 16.619 ( 17.471 -7.841 -2.782) 19.351 16.856 ( 7.247 -1.800 -28.590) 29.549 17.494 ( 1.326 2.552 0.513) 2.921 17.586 ( 6.830 1.481 -2.656) 7.477 19.398 ( -0.237 -0.973 9.642) 9.694 19.783 ( -1.326 -0.240 -1.863) 2.299 ======================= Grid point 638 (196/324) ======================= q-point: (-0.41 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.223 ( -26.527 5.005 14.145) 30.476 3.641 ( -21.899 1.813 12.614) 25.337 4.004 ( -23.206 -5.719 -7.328) 24.999 4.835 ( -10.342 -5.914 -4.578) 12.763 5.087 ( -5.573 -6.096 -1.122) 8.335 5.330 ( -15.184 1.654 -11.383) 19.049 5.550 ( -11.072 -7.491 7.121) 15.146 6.225 ( 11.777 -3.453 -6.676) 13.971 6.698 ( -18.285 0.762 4.362) 18.813 6.955 ( -6.576 9.533 -0.900) 11.616 7.917 ( -34.904 2.505 5.454) 35.417 8.261 ( -30.343 3.265 -5.804) 31.065 9.221 ( 5.245 2.187 -9.213) 10.824 9.301 ( 15.838 0.365 -10.797) 19.172 10.803 ( -12.035 3.184 23.766) 26.830 11.274 ( -4.574 -2.240 12.703) 13.686 12.225 ( -6.719 -1.469 -5.478) 8.793 12.319 ( -18.013 -1.541 -8.227) 19.862 14.015 ( 8.112 -6.046 0.294) 10.121 14.151 ( 8.881 -7.883 -2.448) 12.125 14.977 ( 5.931 -0.500 13.806) 15.034 15.546 ( 0.791 -15.792 5.594) 16.772 15.779 ( -1.230 -13.152 -5.380) 14.263 16.510 ( 7.149 0.865 -8.815) 11.382 16.908 ( 8.330 -6.658 -7.367) 12.961 17.096 ( 16.864 2.034 -15.400) 22.928 17.459 ( -3.386 3.243 0.997) 4.793 17.680 ( 3.157 0.037 -7.315) 7.967 19.413 ( 1.266 -1.508 9.221) 9.429 19.763 ( -0.813 -0.032 -2.086) 2.239 ======================= Grid point 639 (197/324) ======================= q-point: (-0.35 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.686 ( -26.961 5.589 14.025) 30.900 3.217 ( -20.333 7.365 19.720) 29.267 3.631 ( -20.006 -5.877 -11.689) 23.904 4.563 ( -25.713 -3.921 -1.941) 26.083 4.784 ( -29.589 3.878 -14.542) 33.197 4.976 ( -17.349 -12.595 -7.396) 22.678 5.484 ( 0.131 -6.731 17.628) 18.870 6.365 ( -11.317 3.131 12.480) 17.136 6.538 ( 7.418 -9.882 -13.671) 18.428 6.841 ( -1.424 10.742 -2.272) 11.072 7.237 ( -32.954 2.687 6.554) 33.707 7.762 ( -17.389 4.496 -9.335) 20.242 9.175 ( -8.466 1.837 -5.072) 10.039 9.497 ( 4.405 0.159 -16.174) 16.764 10.595 ( -7.915 4.063 22.185) 23.903 11.259 ( 1.957 -1.139 13.582) 13.770 11.917 ( -20.483 -1.282 -5.983) 21.377 12.207 ( -0.743 -2.929 -6.165) 6.866 14.255 ( 13.547 -5.054 1.044) 14.497 14.417 ( 13.947 -7.613 -2.003) 16.015 15.088 ( 5.606 -0.469 11.105) 12.449 15.680 ( 3.473 -14.092 7.121) 16.166 15.840 ( -1.368 -15.758 -6.575) 17.129 16.578 ( 0.785 1.568 -9.695) 9.852 17.050 ( 2.895 -4.971 -5.927) 8.260 17.315 ( -3.210 5.003 0.299) 5.952 17.353 ( 5.533 6.806 -8.724) 12.371 17.695 ( -1.395 -0.139 -16.535) 16.594 19.471 ( 3.631 -2.700 8.660) 9.771 19.754 ( -0.046 0.298 -2.045) 2.067 ======================= Grid point 640 (198/324) ======================= q-point: (-0.29 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.166 ( -24.270 6.652 15.178) 29.388 2.791 ( -19.545 11.179 24.240) 33.084 3.330 ( -15.700 -4.302 -16.319) 23.050 3.945 ( -36.638 3.029 6.656) 37.361 4.104 ( -37.026 4.529 -14.575) 40.048 4.843 ( -7.002 -10.679 -11.729) 17.339 5.555 ( -0.693 -9.350 18.740) 20.954 5.977 ( -25.427 -1.417 13.227) 28.697 6.350 ( -33.897 -0.676 -3.094) 34.044 6.893 ( 12.361 -5.541 -9.749) 16.690 6.952 ( 2.647 6.834 3.246) 8.016 7.620 ( 4.554 6.152 -11.398) 13.730 8.923 ( -15.679 2.059 1.126) 15.854 9.477 ( -5.350 -0.208 -18.543) 19.301 10.432 ( -7.779 3.410 17.031) 19.031 11.280 ( -5.591 1.341 -0.968) 5.830 11.633 ( -5.828 -3.850 9.948) 12.155 12.258 ( 4.202 -1.764 -6.355) 7.820 14.566 ( 16.526 -3.422 2.177) 17.017 14.742 ( 15.551 -6.641 -0.354) 16.913 15.194 ( 5.765 0.408 8.167) 10.005 15.819 ( 3.834 -6.765 6.225) 9.961 15.928 ( 0.348 -17.932 -5.928) 18.890 16.504 ( -7.704 2.577 -4.152) 9.123 17.048 ( -7.599 -4.188 -7.279) 11.326 17.142 ( -5.977 5.733 1.773) 8.469 17.341 ( -7.156 5.761 -8.452) 12.483 17.656 ( 0.296 7.569 -26.072) 27.150 19.579 ( 5.262 -4.606 6.845) 9.785 19.760 ( 1.157 0.398 -1.618) 2.029 ======================= Grid point 641 (199/324) ======================= q-point: (-0.24 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.715 ( -18.553 8.699 18.024) 27.290 2.318 ( -24.880 12.119 21.740) 35.192 3.046 ( -18.728 0.971 -17.187) 25.438 3.310 ( -23.313 10.180 15.124) 29.595 3.422 ( -28.946 6.327 -12.989) 32.351 4.790 ( -5.609 -6.982 -10.641) 13.909 5.319 ( -26.246 -6.454 6.423) 27.780 5.587 ( -27.874 -3.157 1.416) 28.087 5.908 ( -3.827 -10.288 19.389) 22.281 6.982 ( 5.848 10.388 8.064) 14.392 7.180 ( 10.190 -11.815 -16.282) 22.551 7.775 ( 14.429 8.004 -13.400) 21.256 8.621 ( -13.589 3.000 5.987) 15.149 9.350 ( -7.137 -0.130 -19.074) 20.366 10.254 ( -9.246 2.067 12.836) 15.954 11.020 ( -16.750 -0.336 -9.679) 19.348 11.741 ( 9.874 -2.696 17.995) 20.703 12.364 ( 5.770 -0.374 -5.587) 8.041 14.900 ( 17.110 -1.740 3.398) 17.530 15.048 ( 12.154 -5.640 5.010) 14.304 15.309 ( 7.639 1.415 3.495) 8.519 15.889 ( 1.434 2.608 3.005) 4.229 16.043 ( 0.623 -11.612 -3.423) 12.122 16.291 ( -11.879 -2.651 0.269) 12.174 16.844 ( -13.594 0.257 -6.500) 15.070 17.011 ( -7.394 2.925 0.542) 7.970 17.030 ( -21.571 4.221 -15.476) 26.882 17.611 ( 1.787 14.295 -25.699) 29.461 19.688 ( 2.403 -3.620 2.011) 4.788 19.818 ( 5.095 -3.286 0.091) 6.063 ======================= Grid point 642 (200/324) ======================= q-point: (-0.18 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.384 ( -9.930 11.446 21.701) 26.468 1.709 ( -28.670 15.539 17.419) 36.971 2.683 ( -11.780 10.620 3.944) 16.344 2.808 ( -20.515 9.976 -7.977) 24.166 3.139 ( -3.930 6.058 0.606) 7.246 4.645 ( -12.389 -1.773 5.768) 13.780 5.002 ( -10.939 -8.399 -10.089) 17.088 5.106 ( -19.542 -3.199 -6.274) 20.772 6.042 ( 4.235 -17.853 24.916) 30.943 7.014 ( 3.650 9.855 10.036) 14.531 7.402 ( 5.499 -12.264 -16.654) 21.401 7.985 ( 11.471 10.679 -17.779) 23.700 8.424 ( -4.066 5.014 6.960) 9.493 9.246 ( -3.357 0.253 -19.508) 19.797 10.082 ( -7.433 0.756 11.025) 13.319 10.741 ( -12.438 -0.887 -8.486) 15.083 11.945 ( 9.063 -2.906 15.638) 18.306 12.458 ( 3.894 0.424 -4.671) 6.096 15.214 ( 14.739 -1.220 5.462) 15.766 15.230 ( 5.598 -1.656 12.742) 14.016 15.460 ( 6.894 0.087 -2.519) 7.340 15.753 ( -9.930 11.745 3.156) 15.701 16.064 ( -0.879 -2.012 -4.886) 5.357 16.226 ( -1.531 -6.348 0.082) 6.530 16.463 ( -25.009 3.969 -11.663) 27.879 16.647 ( -12.001 3.099 -6.348) 13.926 16.846 ( -7.457 1.767 0.931) 7.720 17.556 ( 1.483 14.230 -24.791) 28.623 19.720 ( 0.383 -0.891 -0.493) 1.088 19.968 ( 5.542 -9.221 -2.514) 11.048 ======================= Grid point 643 (201/324) ======================= q-point: (-0.12 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.198 ( -0.000 19.527 18.628) 26.988 1.289 ( -0.000 11.718 26.451) 28.930 2.520 ( -0.000 7.476 -23.879) 25.021 2.531 ( -0.000 13.580 28.314) 31.403 3.076 ( -0.000 4.603 -3.202) 5.607 4.510 ( 0.000 -1.078 11.365) 11.416 4.875 ( 0.000 -2.233 -2.070) 3.045 5.018 ( 0.000 -7.803 -21.798) 23.153 6.212 ( 0.000 -20.602 23.533) 31.277 6.994 ( -0.000 8.152 12.219) 14.689 7.523 ( 0.000 -10.301 -16.462) 19.419 8.022 ( -0.000 12.228 -17.496) 21.346 8.369 ( -0.000 7.989 3.126) 8.579 9.219 ( -0.000 0.451 -20.540) 20.545 10.003 ( 0.000 -0.150 11.146) 11.147 10.614 ( 0.000 -0.255 -6.545) 6.550 12.066 ( 0.000 -3.848 12.311) 12.898 12.493 ( -0.000 0.597 -4.173) 4.215 15.285 ( 0.000 -2.224 18.541) 18.674 15.435 ( -0.000 3.439 0.830) 3.537 15.498 ( -0.000 3.648 -0.992) 3.781 15.512 ( -0.000 4.568 5.751) 7.344 16.012 ( -0.000 9.430 -9.505) 13.389 16.189 ( -0.000 1.257 0.523) 1.361 16.223 ( -0.000 0.805 -0.460) 0.927 16.523 ( 0.000 -0.088 -3.812) 3.813 16.772 ( 0.000 -1.923 -0.372) 1.958 17.490 ( -0.000 12.710 -24.475) 27.578 19.726 ( 0.000 -0.294 -0.982) 1.025 20.092 ( 0.000 -11.168 -7.321) 13.353 ======================= Grid point 648 (202/324) ======================= q-point: ( 0.18 0.18 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.604 ( 24.352 0.000 25.048) 34.935 4.009 ( 27.430 0.000 7.529) 28.444 4.728 ( 19.999 0.000 -12.872) 23.784 5.026 ( -0.514 -0.000 -17.380) 17.388 5.062 ( -4.048 -0.000 5.584) 6.896 5.640 ( -2.136 -0.000 -9.174) 9.420 5.814 ( -2.314 -0.000 7.026) 7.397 6.070 ( -11.652 -0.000 -1.705) 11.776 6.952 ( 26.799 0.000 3.505) 27.028 7.208 ( 26.197 0.000 -4.304) 26.548 8.427 ( 30.419 0.000 6.866) 31.184 8.647 ( 21.019 0.000 -3.085) 21.244 8.925 ( -20.797 -0.000 -6.946) 21.927 8.998 ( -4.368 -0.000 -8.223) 9.312 10.996 ( 15.353 0.000 22.209) 26.999 11.462 ( 6.785 0.000 8.486) 10.865 12.437 ( 3.596 0.000 -4.181) 5.514 12.611 ( 15.862 0.000 -9.870) 18.682 14.169 ( -1.816 -0.000 1.172) 2.162 14.336 ( -4.238 -0.000 -3.060) 5.227 14.858 ( -5.253 -0.000 14.393) 15.322 16.188 ( -3.594 -0.000 -5.139) 6.271 16.226 ( -14.777 -0.000 -3.714) 15.237 16.234 ( -15.119 -0.000 1.438) 15.187 16.637 ( -8.614 -0.000 -2.808) 9.061 16.896 ( -6.178 -0.000 -21.411) 22.285 17.452 ( 1.028 0.000 -0.792) 1.298 17.604 ( -7.332 -0.000 -5.693) 9.283 19.442 ( -0.652 -0.000 10.136) 10.157 19.796 ( 1.686 0.000 -1.083) 2.004 ======================= Grid point 649 (203/324) ======================= q-point: ( 0.24 0.18 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.038 ( 20.904 -0.161 19.888) 28.854 4.452 ( 19.037 -0.417 6.197) 20.025 4.950 ( -2.834 2.181 -8.123) 8.875 4.995 ( -2.769 -0.121 3.119) 4.172 5.056 ( 11.702 -2.029 -9.660) 15.310 5.531 ( -8.346 3.623 -6.242) 11.034 5.737 ( -6.349 -1.776 2.882) 7.195 5.956 ( 0.289 -0.256 -7.919) 7.929 7.396 ( 18.860 -0.369 3.007) 19.102 7.650 ( 19.427 0.371 -4.476) 19.940 8.554 ( -17.383 -0.002 -3.031) 17.645 8.639 ( -9.943 -0.471 -6.798) 12.054 8.934 ( 22.734 0.410 7.182) 23.845 9.254 ( 19.880 -1.183 -3.807) 20.275 11.247 ( 10.894 -0.099 19.632) 22.452 11.568 ( 4.249 0.264 6.898) 8.106 12.486 ( 1.745 0.445 -1.980) 2.676 12.866 ( 10.913 -0.278 -10.756) 15.325 14.163 ( 0.866 1.086 0.946) 1.681 14.292 ( -0.578 1.505 -2.359) 2.857 14.761 ( -4.979 -0.345 13.116) 14.034 15.871 ( -17.789 2.035 -6.574) 19.074 15.922 ( -14.710 4.681 2.709) 15.673 16.131 ( -7.465 -3.093 2.023) 8.330 16.446 ( -12.204 -1.353 -3.142) 12.675 16.791 ( -4.700 -0.215 -27.779) 28.175 17.447 ( -0.905 0.462 -1.127) 1.517 17.469 ( -5.966 0.866 -1.892) 6.318 19.436 ( -0.124 0.140 10.729) 10.731 19.823 ( 1.164 0.083 -0.787) 1.408 ======================= Grid point 650 (204/324) ======================= q-point: ( 0.29 0.18 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.336 ( 9.449 0.040 18.076) 20.397 4.697 ( 5.819 -0.448 4.862) 7.596 4.885 ( -2.697 -1.319 -0.691) 3.081 4.982 ( 1.926 1.111 -1.145) 2.501 5.222 ( 4.683 0.379 -8.109) 9.372 5.333 ( -9.686 1.306 -3.390) 10.345 5.630 ( -4.224 0.880 1.159) 4.468 6.014 ( 3.103 -1.577 -12.604) 13.076 7.640 ( 7.106 -0.252 2.923) 7.687 7.895 ( 6.634 0.525 -4.712) 8.154 8.314 ( -7.279 -0.035 -0.789) 7.322 8.506 ( -3.183 -0.403 -7.561) 8.213 9.243 ( 10.321 2.102 7.568) 12.969 9.547 ( 8.964 -2.471 -3.135) 9.813 11.390 ( 4.137 -0.006 17.721) 18.198 11.610 ( 0.291 0.190 6.019) 6.029 12.497 ( -0.257 0.312 0.070) 0.410 13.011 ( 4.174 -0.158 -10.972) 11.741 14.146 ( -3.366 0.799 1.125) 3.638 14.257 ( -3.235 2.095 -1.969) 4.328 14.696 ( -1.708 -1.079 12.227) 12.393 15.598 ( -7.675 3.103 -4.253) 9.307 15.675 ( -7.214 6.371 3.346) 10.190 15.974 ( -11.146 -6.297 3.270) 13.213 16.213 ( -13.627 -4.049 -3.428) 14.623 16.732 ( -1.689 -0.145 -32.000) 32.045 17.389 ( -1.249 2.101 -0.052) 2.445 17.432 ( 0.115 1.014 -1.359) 1.700 19.430 ( -0.505 0.127 10.949) 10.961 19.835 ( 0.119 0.105 -0.802) 0.818 ======================= Grid point 651 (205/324) ======================= q-point: ( 0.35 0.18 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.365 ( -5.761 0.434 17.492) 18.421 4.650 ( -10.586 -0.837 2.991) 11.032 4.874 ( 0.770 -0.735 3.299) 3.467 4.991 ( -4.782 -1.030 -3.358) 5.934 5.169 ( -6.201 1.195 -3.458) 7.200 5.291 ( 5.047 -0.302 -6.440) 8.187 5.589 ( -0.055 1.110 0.369) 1.171 6.052 ( -0.140 -1.459 -13.409) 13.489 7.670 ( -3.817 0.304 2.820) 4.756 7.883 ( -7.801 0.510 -3.621) 8.615 8.307 ( 6.621 -0.201 -0.333) 6.632 8.547 ( 7.643 0.132 -8.666) 11.556 9.279 ( -4.724 3.322 7.591) 9.539 9.592 ( -5.978 -2.403 -3.389) 7.280 11.401 ( -2.779 0.206 17.269) 17.493 11.578 ( -3.569 -0.294 6.160) 7.125 12.474 ( -2.136 0.041 0.816) 2.287 13.019 ( -3.344 -0.078 -10.685) 11.196 14.016 ( -9.515 -1.171 0.861) 9.625 14.129 ( -8.970 0.113 -2.204) 9.238 14.713 ( 2.505 -0.446 13.648) 13.883 15.543 ( -3.299 6.208 1.868) 7.274 15.587 ( 5.782 4.789 -1.256) 7.612 15.873 ( -1.970 -9.547 2.984) 10.195 16.029 ( -8.532 -10.166 -3.822) 13.811 16.723 ( 0.423 -0.245 -33.894) 33.898 17.399 ( 3.765 2.768 0.399) 4.690 17.448 ( 2.335 1.515 -1.032) 2.969 19.416 ( -0.954 -0.081 10.711) 10.754 19.827 ( -0.889 0.005 -1.130) 1.438 ======================= Grid point 652 (206/324) ======================= q-point: (-0.59 0.18 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.148 ( -15.857 2.086 15.629) 22.362 4.373 ( -18.752 -2.804 2.783) 19.164 4.744 ( -18.338 -2.417 -2.256) 18.633 4.942 ( 3.270 -1.111 5.484) 6.481 5.063 ( -6.660 -1.222 -3.036) 7.421 5.437 ( 9.558 1.510 -8.451) 12.847 5.583 ( -1.145 -0.643 0.101) 1.317 6.039 ( -1.464 -1.046 -12.532) 12.660 7.506 ( -12.513 1.883 1.803) 12.782 7.610 ( -20.023 0.057 -1.180) 20.058 8.547 ( 17.827 -0.124 -1.526) 17.893 8.766 ( 14.622 1.309 -9.358) 17.409 9.039 ( -18.116 3.196 6.788) 19.608 9.358 ( -19.513 -1.159 -4.160) 19.985 11.289 ( -8.702 0.687 18.688) 20.626 11.485 ( -6.618 -1.048 7.527) 10.077 12.414 ( -4.344 -0.124 -0.261) 4.354 12.890 ( -10.482 -0.394 -10.178) 14.616 13.864 ( -6.831 -3.287 0.278) 7.585 13.973 ( -7.107 -2.918 -2.410) 8.052 14.779 ( 4.325 0.548 15.601) 16.199 15.416 ( -7.350 -2.802 3.648) 8.670 15.650 ( -0.346 0.342 -3.136) 3.173 16.022 ( 11.735 -5.265 0.859) 12.891 16.134 ( 13.054 -11.159 -2.238) 17.319 16.750 ( 2.189 -0.853 -34.275) 34.356 17.479 ( 5.194 2.637 -0.052) 5.825 17.500 ( 4.757 1.769 -0.573) 5.108 19.398 ( -1.005 -0.428 10.162) 10.220 19.805 ( -1.398 -0.141 -1.616) 2.141 ======================= Grid point 653 (207/324) ======================= q-point: (-0.53 0.18 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.770 ( -21.973 4.246 13.002) 25.883 4.015 ( -20.801 -3.302 5.330) 21.726 4.363 ( -23.241 -3.644 -1.616) 23.580 4.920 ( -9.750 -4.008 -3.674) 11.163 5.017 ( 2.764 -1.947 5.942) 6.836 5.524 ( -7.378 -3.599 -0.564) 8.228 5.578 ( 4.678 2.604 -9.486) 10.893 6.039 ( 1.440 -2.545 -10.760) 11.151 7.136 ( -24.759 1.043 2.975) 24.958 7.271 ( -12.756 4.161 -0.286) 13.420 8.563 ( -28.481 2.581 6.071) 29.235 8.857 ( -23.980 1.990 -4.125) 24.413 8.933 ( 21.032 0.175 -4.853) 21.585 9.090 ( 9.603 0.667 -10.740) 14.423 11.081 ( -12.145 1.717 21.361) 24.632 11.355 ( -7.712 -1.937 10.070) 12.831 12.316 ( -6.077 -0.522 -2.518) 6.599 12.639 ( -16.421 -0.875 -9.604) 19.043 13.828 ( 0.761 -4.690 -0.174) 4.754 13.934 ( 0.661 -5.387 -2.466) 5.961 14.866 ( 5.154 0.149 15.659) 16.486 15.336 ( -4.781 -9.958 4.305) 11.855 15.629 ( -2.791 -7.038 -3.926) 8.529 16.304 ( 14.342 -1.566 -1.039) 14.464 16.521 ( 18.668 -7.992 -2.329) 20.440 16.836 ( 7.615 -1.597 -31.456) 32.404 17.524 ( 1.472 2.343 0.511) 2.814 17.605 ( 6.120 1.558 -2.224) 6.696 19.387 ( -0.435 -0.802 9.585) 9.628 19.780 ( -1.254 -0.176 -2.054) 2.413 ======================= Grid point 654 (208/324) ======================= q-point: (-0.47 0.18 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.293 ( -25.044 6.474 11.013) 28.114 3.647 ( -19.648 -0.718 9.294) 21.747 3.949 ( -22.630 -3.616 -1.901) 22.995 4.758 ( -11.129 -6.787 -4.622) 13.830 5.016 ( -7.766 -4.901 1.100) 9.249 5.327 ( -16.662 -4.186 -2.514) 17.362 5.501 ( -10.345 1.032 -3.080) 10.843 6.165 ( 8.952 -6.506 -10.293) 15.113 6.715 ( -17.269 2.120 7.676) 19.017 7.068 ( -4.387 8.994 -2.032) 10.211 7.943 ( -35.406 1.820 5.622) 35.896 8.295 ( -30.119 2.395 -5.865) 30.778 9.247 ( 5.375 2.006 -9.577) 11.164 9.305 ( 15.671 0.296 -10.349) 18.782 10.842 ( -11.035 3.298 23.524) 26.192 11.246 ( -4.526 -2.472 13.488) 14.440 12.209 ( -5.623 -1.082 -5.318) 7.815 12.299 ( -19.914 -1.665 -8.406) 21.679 13.948 ( 8.641 -5.044 -0.286) 10.009 14.063 ( 8.898 -6.772 -2.447) 11.447 14.966 ( 5.110 -1.278 13.233) 14.243 15.364 ( -0.007 -14.313 5.350) 15.280 15.641 ( -1.430 -9.683 -3.981) 10.567 16.522 ( 8.023 1.183 -8.171) 11.513 16.822 ( 8.978 -7.512 -6.604) 13.440 17.110 ( 19.311 0.482 -17.720) 26.214 17.497 ( -2.858 2.966 0.956) 4.228 17.683 ( 2.413 0.433 -5.818) 6.313 19.396 ( 0.874 -1.285 9.227) 9.357 19.763 ( -0.631 -0.015 -2.268) 2.355 ======================= Grid point 655 (209/324) ======================= q-point: (-0.41 0.18 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.776 ( -24.555 9.272 10.685) 28.338 3.289 ( -17.608 4.385 13.967) 22.899 3.580 ( -18.386 -2.507 -4.566) 19.110 4.507 ( -24.061 -5.258 -1.168) 24.656 4.793 ( -14.879 -8.596 -9.814) 19.788 4.858 ( -32.453 -0.804 -10.685) 34.176 5.404 ( -1.363 -6.334 15.669) 16.956 6.401 ( 6.007 -4.564 -3.711) 8.408 6.420 ( -13.223 -2.322 2.599) 13.674 6.967 ( -4.100 10.046 -4.754) 11.846 7.273 ( -29.953 3.266 7.928) 31.156 7.807 ( -17.082 2.943 -9.311) 19.676 9.198 ( -8.581 1.838 -5.404) 10.307 9.500 ( 4.253 0.275 -15.739) 16.306 10.646 ( -7.735 4.341 21.917) 23.643 11.242 ( 2.887 -1.781 15.259) 15.632 11.898 ( -21.792 -1.753 -6.618) 22.843 12.175 ( -0.215 -2.340 -6.445) 6.861 14.197 ( 14.517 -4.433 0.094) 15.179 14.330 ( 14.747 -6.709 -2.027) 16.327 15.072 ( 5.211 -2.196 9.212) 10.809 15.500 ( 4.494 -15.638 6.038) 17.355 15.686 ( -0.052 -9.735 -3.486) 10.340 16.598 ( 1.359 1.605 -12.204) 12.384 16.986 ( 3.853 -5.383 -2.982) 7.261 17.366 ( -4.732 3.688 0.789) 6.051 17.429 ( 9.646 5.710 -10.105) 15.091 17.690 ( -0.468 -0.548 -14.588) 14.605 19.440 ( 2.740 -2.325 8.957) 9.651 19.758 ( 0.140 0.272 -2.175) 2.196 ======================= Grid point 656 (210/324) ======================= q-point: (-0.35 0.18 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.282 ( -20.751 12.595 11.806) 26.992 2.923 ( -17.435 10.414 18.523) 27.487 3.294 ( -13.620 -1.260 -10.762) 17.404 3.959 ( -32.264 -0.868 4.183) 32.545 4.159 ( -36.483 4.388 -13.038) 38.991 4.705 ( -5.699 -12.114 -10.266) 16.871 5.439 ( -2.236 -9.837 17.993) 20.628 5.971 ( -28.190 0.428 13.314) 31.179 6.323 ( -32.074 -3.778 -3.580) 32.494 6.799 ( 5.749 -7.885 -11.741) 15.267 7.076 ( 4.574 11.631 4.721) 13.360 7.683 ( 4.822 4.125 -11.363) 13.015 8.949 ( -15.209 2.149 0.595) 15.371 9.476 ( -5.416 0.007 -18.046) 18.841 10.474 ( -8.643 3.509 16.855) 19.264 11.295 ( -4.955 1.067 0.402) 5.084 11.582 ( -6.838 -4.477 9.715) 12.696 12.238 ( 5.164 -1.515 -6.706) 8.599 14.526 ( 17.613 -3.203 1.016) 17.931 14.669 ( 16.891 -5.320 -0.600) 17.719 15.191 ( 6.417 -1.024 5.427) 8.466 15.702 ( 6.664 -15.141 3.420) 16.892 15.757 ( 2.270 -7.674 -1.195) 8.092 16.545 ( -5.955 3.691 -7.564) 10.310 16.997 ( -6.265 -3.771 -4.137) 8.402 17.201 ( -7.106 4.080 2.173) 8.477 17.402 ( -9.854 4.429 -7.886) 13.375 17.743 ( 6.186 6.606 -23.893) 25.550 19.526 ( 4.155 -4.170 8.004) 9.935 19.765 ( 0.949 0.401 -1.795) 2.069 ======================= Grid point 657 (211/324) ======================= q-point: (-0.29 0.18 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.864 ( -14.414 15.960 14.218) 25.780 2.477 ( -23.180 14.070 18.228) 32.673 3.054 ( -13.291 0.938 -18.314) 22.648 3.421 ( -23.401 7.516 7.392) 25.666 3.505 ( -25.214 7.365 -4.984) 26.736 4.692 ( -3.326 -9.201 -10.267) 14.183 5.243 ( -26.116 -6.367 9.251) 28.429 5.535 ( -24.388 -5.423 5.792) 25.646 5.795 ( -14.011 -8.271 15.688) 22.602 7.023 ( 7.843 -13.594 -16.312) 22.636 7.119 ( 6.607 11.833 5.623) 14.673 7.856 ( 14.588 5.135 -13.870) 20.774 8.658 ( -12.823 3.068 5.313) 14.215 9.349 ( -6.942 -0.014 -18.516) 19.775 10.278 ( -10.258 1.833 12.622) 16.368 11.015 ( -17.759 -0.527 -9.055) 19.941 11.706 ( 10.278 -3.131 18.761) 21.620 12.360 ( 6.555 -0.239 -6.009) 8.895 14.877 ( 17.772 -2.033 2.532) 18.066 14.997 ( 14.729 -2.732 2.746) 15.229 15.326 ( 8.179 1.320 1.928) 8.506 15.858 ( 4.421 -7.853 -4.480) 10.064 15.924 ( 8.638 -7.375 4.615) 12.260 16.316 ( -14.672 6.092 -0.517) 15.895 16.822 ( -13.541 -3.173 -8.562) 16.332 17.052 ( -8.233 3.550 3.358) 9.574 17.083 ( -19.660 4.442 -12.016) 23.466 17.774 ( 3.273 12.619 -24.688) 27.919 19.631 ( 3.408 -5.429 5.387) 8.373 19.794 ( 2.267 -0.968 -0.910) 2.628 ======================= Grid point 658 (212/324) ======================= q-point: (-0.24 0.18 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.566 ( -5.901 18.536 17.335) 26.056 1.910 ( -24.792 17.655 15.458) 34.136 2.794 ( -10.191 8.252 -13.874) 19.090 2.935 ( -17.868 10.091 -7.398) 21.814 3.238 ( -3.501 10.445 12.909) 16.970 4.618 ( -10.677 -2.861 3.724) 11.664 4.890 ( -10.580 -9.962 -6.593) 15.958 5.067 ( -21.466 -3.366 -3.082) 21.946 5.824 ( 0.894 -18.128 25.840) 31.577 7.144 ( 3.899 10.812 4.547) 12.360 7.235 ( 4.491 -14.449 -14.514) 20.967 8.084 ( 10.356 5.758 -18.059) 21.599 8.483 ( -2.186 4.493 5.384) 7.345 9.249 ( -3.247 0.150 -18.978) 19.254 10.090 ( -8.326 0.467 10.801) 13.646 10.730 ( -12.150 -0.923 -7.848) 14.494 11.907 ( 8.193 -3.336 16.916) 19.089 12.464 ( 4.227 0.568 -5.171) 6.703 15.175 ( 9.649 -2.912 8.341) 13.083 15.253 ( 15.102 3.404 3.780) 15.936 15.475 ( 8.212 2.258 -1.239) 8.607 15.905 ( -11.788 13.037 2.232) 17.717 16.029 ( 4.901 -3.620 -3.063) 6.820 16.146 ( 4.528 -6.760 -0.341) 8.144 16.499 ( -22.387 1.714 -10.265) 24.688 16.674 ( -16.567 1.881 -10.710) 19.817 16.880 ( -8.091 3.607 5.378) 10.363 17.731 ( 1.318 14.511 -24.959) 28.901 19.698 ( 0.991 -3.062 1.683) 3.632 19.870 ( 3.144 -6.482 -0.154) 7.207 ======================= Grid point 659 (213/324) ======================= q-point: (-0.18 0.18 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.451 ( -0.000 22.104 15.115) 26.778 1.465 ( -0.000 17.661 21.970) 28.188 2.624 ( -0.000 9.501 -22.131) 24.084 2.701 ( -0.000 13.834 10.218) 17.199 3.154 ( -0.000 8.717 7.604) 11.568 4.492 ( 0.000 -1.899 10.885) 11.049 4.844 ( 0.000 -2.827 -2.028) 3.479 4.910 ( 0.000 -10.055 -17.051) 19.795 5.959 ( 0.000 -21.026 26.103) 33.518 7.114 ( -0.000 11.296 7.967) 13.823 7.368 ( 0.000 -14.961 -16.072) 21.957 8.130 ( -0.000 6.238 -14.752) 16.017 8.467 ( -0.000 7.226 -3.109) 7.866 9.224 ( -0.000 0.227 -20.006) 20.007 10.001 ( 0.000 -0.214 11.140) 11.142 10.610 ( 0.000 -0.335 -6.518) 6.527 12.017 ( 0.000 -4.278 14.799) 15.405 12.501 ( -0.000 0.722 -4.679) 4.735 15.262 ( 0.000 -1.222 13.829) 13.883 15.485 ( -0.000 4.743 0.888) 4.825 15.550 ( -0.000 5.045 -1.022) 5.148 15.595 ( -0.000 8.550 4.645) 9.730 16.103 ( -0.000 5.707 -10.869) 12.276 16.206 ( -0.000 1.506 0.407) 1.560 16.233 ( -0.000 0.877 -0.387) 0.959 16.500 ( 0.000 -3.693 -10.494) 11.125 16.772 ( -0.000 1.955 5.407) 5.749 17.656 ( -0.000 14.498 -24.842) 28.764 19.718 ( 0.000 -1.284 0.086) 1.287 19.959 ( 0.000 -10.351 -1.958) 10.534 ======================= Grid point 666 (214/324) ======================= q-point: ( 0.24 0.24 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.337 ( 9.509 0.000 18.179) 20.516 4.694 ( 5.888 0.000 4.815) 7.606 4.877 ( -2.580 -0.000 -0.835) 2.712 4.990 ( 1.852 0.000 -0.994) 2.101 5.225 ( 4.674 0.000 -8.118) 9.368 5.341 ( -10.719 -0.000 -3.392) 11.242 5.636 ( -3.927 -0.000 1.201) 4.106 6.004 ( 3.197 0.000 -12.657) 13.054 7.639 ( 7.237 0.000 3.044) 7.851 7.898 ( 6.577 0.000 -4.703) 8.085 8.314 ( -7.309 -0.000 -0.839) 7.357 8.503 ( -3.024 -0.000 -7.518) 8.103 9.257 ( 10.714 0.000 7.057) 12.829 9.530 ( 8.951 0.000 -2.731) 9.359 11.390 ( 4.188 0.000 17.746) 18.234 11.611 ( 0.165 0.000 6.021) 6.023 12.499 ( -0.392 -0.000 0.002) 0.392 13.010 ( 4.263 0.000 -10.962) 11.762 14.151 ( -3.936 -0.000 1.178) 4.108 14.270 ( -3.664 -0.000 -2.313) 4.333 14.689 ( -1.701 -0.000 12.549) 12.664 15.618 ( -7.456 -0.000 -4.398) 8.656 15.723 ( -6.215 -0.000 3.096) 6.944 15.926 ( -13.139 -0.000 3.402) 13.572 16.186 ( -14.612 -0.000 -3.017) 14.920 16.731 ( -1.638 -0.000 -32.175) 32.217 17.402 ( -1.219 -0.000 -0.203) 1.235 17.439 ( 0.179 0.000 -1.272) 1.284 19.431 ( -0.559 -0.000 10.973) 10.987 19.836 ( 0.091 0.000 -0.786) 0.791 ======================= Grid point 667 (215/324) ======================= q-point: ( 0.29 0.24 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.369 ( -5.391 0.156 17.488) 18.301 4.643 ( -11.100 -0.304 2.960) 11.492 4.868 ( 1.336 -0.313 3.319) 3.591 4.983 ( -6.769 -0.326 -3.718) 7.730 5.182 ( -6.088 0.755 -1.967) 6.442 5.284 ( 5.277 -0.533 -7.068) 8.836 5.600 ( -0.175 0.607 0.094) 0.639 6.039 ( 0.136 -0.637 -13.633) 13.649 7.673 ( -3.421 0.128 3.014) 4.561 7.887 ( -7.945 0.194 -3.423) 8.653 8.305 ( 6.595 -0.076 -0.373) 6.606 8.548 ( 7.965 0.031 -8.760) 11.840 9.310 ( -4.733 1.532 6.659) 8.312 9.569 ( -5.480 -1.204 -2.674) 6.215 11.403 ( -2.668 0.078 17.256) 17.461 11.576 ( -3.812 -0.103 6.180) 7.262 12.474 ( -2.213 0.028 0.787) 2.349 13.018 ( -3.401 -0.036 -10.617) 11.149 14.006 ( -10.337 -0.409 0.924) 10.386 14.131 ( -10.302 0.094 -2.597) 10.624 14.710 ( 3.215 -0.159 14.184) 14.545 15.626 ( -6.970 6.805 1.973) 9.939 15.641 ( 6.623 3.357 -1.086) 7.504 15.762 ( 2.045 -8.095 2.448) 8.701 15.929 ( -12.987 -5.282 -3.417) 14.431 16.721 ( 0.315 -0.079 -34.229) 34.231 17.423 ( 3.580 1.041 0.197) 3.734 17.460 ( 2.290 0.558 -0.867) 2.512 19.415 ( -1.072 -0.026 10.725) 10.778 19.827 ( -0.951 0.006 -1.147) 1.490 ======================= Grid point 668 (216/324) ======================= q-point: (-0.65 0.24 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.169 ( -14.725 1.331 15.591) 21.486 4.344 ( -19.694 -1.754 2.040) 19.877 4.721 ( -19.235 -1.324 -2.036) 19.388 4.924 ( 2.756 -1.525 4.718) 5.673 5.063 ( -6.796 0.752 -1.156) 6.935 5.434 ( 7.777 -1.205 -6.000) 9.896 5.593 ( -0.027 1.515 -2.322) 2.773 6.026 ( -1.618 -0.945 -13.424) 13.554 7.526 ( -11.109 1.313 1.794) 11.329 7.609 ( -20.581 -0.120 -0.602) 20.590 8.546 ( 17.976 -0.061 -1.429) 18.033 8.778 ( 15.376 0.674 -9.752) 18.220 9.071 ( -18.969 2.044 6.066) 20.020 9.344 ( -18.768 -1.034 -3.527) 19.124 11.296 ( -8.382 0.402 18.638) 20.440 11.475 ( -6.958 -0.576 7.571) 10.299 12.414 ( -4.327 0.040 -0.303) 4.338 12.885 ( -10.761 -0.305 -9.924) 14.642 13.834 ( -7.391 -1.737 0.301) 7.599 13.947 ( -8.194 -1.493 -2.606) 8.727 14.785 ( 4.597 0.495 16.147) 16.796 15.392 ( -11.558 -1.276 3.851) 12.249 15.662 ( -6.771 1.402 -3.539) 7.768 15.971 ( 14.706 -3.050 0.841) 15.043 16.017 ( 17.551 -7.695 -1.421) 19.216 16.742 ( 1.855 -0.436 -35.162) 35.214 17.505 ( 4.282 1.623 -0.156) 4.582 17.516 ( 5.117 0.888 -0.464) 5.214 19.394 ( -1.150 -0.228 10.148) 10.215 19.804 ( -1.437 -0.067 -1.701) 2.228 ======================= Grid point 669 (217/324) ======================= q-point: (-0.59 0.24 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.820 ( -20.474 4.008 11.896) 24.016 3.974 ( -20.652 -3.456 4.256) 21.367 4.325 ( -23.346 -2.599 0.102) 23.490 4.868 ( -10.933 -3.983 -4.773) 12.577 5.018 ( 2.717 1.322 7.946) 8.501 5.445 ( -9.742 -6.329 2.931) 11.981 5.649 ( 6.724 6.204 -12.333) 15.356 6.001 ( -1.851 -3.521 -12.955) 13.553 7.148 ( -24.937 0.880 4.208) 25.305 7.315 ( -10.094 2.948 -0.683) 10.538 8.589 ( -29.360 1.719 5.651) 29.948 8.875 ( -25.135 1.063 -3.941) 25.464 8.935 ( 21.232 0.125 -4.451) 21.694 9.096 ( 11.796 0.348 -11.100) 16.201 11.100 ( -11.417 1.292 21.304) 24.205 11.335 ( -8.147 -1.415 10.250) 13.170 12.313 ( -6.235 -0.042 -2.700) 6.795 12.628 ( -16.768 -0.856 -9.196) 19.144 13.782 ( 0.721 -2.973 -0.323) 3.076 13.881 ( 0.029 -3.446 -2.514) 4.265 14.869 ( 4.462 0.282 15.956) 16.571 15.236 ( -7.243 -6.606 4.159) 10.649 15.559 ( -4.462 -4.515 -3.627) 7.311 16.288 ( 16.513 -1.103 0.652) 16.563 16.436 ( 19.633 -5.850 -1.993) 20.583 16.819 ( 7.625 -1.099 -33.686) 34.556 17.548 ( 1.468 1.603 0.480) 2.226 17.621 ( 5.558 1.120 -1.984) 6.007 19.379 ( -0.577 -0.529 9.563) 9.594 19.779 ( -1.205 -0.106 -2.195) 2.507 ======================= Grid point 670 (218/324) ======================= q-point: (-0.53 0.24 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.376 ( -22.749 7.189 8.837) 25.442 3.627 ( -18.219 -2.423 6.748) 19.579 3.913 ( -21.573 -2.582 2.129) 21.831 4.679 ( -11.876 -6.132 -5.603) 14.493 4.979 ( -11.386 -1.140 2.767) 11.772 5.242 ( -13.593 -8.530 5.963) 17.120 5.559 ( -13.472 7.108 -11.661) 19.183 6.074 ( 6.424 -8.482 -12.235) 16.215 6.744 ( -15.669 2.419 9.503) 18.484 7.165 ( -2.476 7.035 -3.196) 8.114 7.960 ( -35.918 1.006 5.887) 36.411 8.319 ( -30.085 1.534 -5.799) 30.677 9.268 ( 5.406 1.556 -9.894) 11.381 9.308 ( 15.703 0.183 -9.902) 18.565 10.880 ( -10.054 2.930 23.334) 25.577 11.217 ( -4.696 -2.328 14.111) 15.053 12.199 ( -5.425 -0.582 -5.462) 7.721 12.280 ( -20.832 -1.511 -8.299) 22.475 13.896 ( 9.164 -3.493 -0.790) 9.839 13.992 ( 8.953 -4.927 -2.473) 10.514 14.949 ( 3.776 -1.506 12.554) 13.195 15.209 ( -1.228 -11.260 4.855) 12.323 15.548 ( -0.371 -5.804 -2.400) 6.291 16.539 ( 8.871 1.706 -7.327) 11.631 16.734 ( 9.763 -6.953 -5.728) 13.284 17.111 ( 21.021 -0.289 -19.926) 28.966 17.528 ( -2.577 2.189 0.853) 3.487 17.689 ( 1.756 0.511 -4.707) 5.050 19.383 ( 0.604 -0.930 9.250) 9.316 19.763 ( -0.489 -0.003 -2.413) 2.462 ======================= Grid point 671 (219/324) ======================= q-point: (-0.47 0.24 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.904 ( -21.108 11.755 8.471) 25.603 3.320 ( -15.161 1.039 7.061) 16.757 3.568 ( -15.965 -0.048 3.577) 16.361 4.444 ( -22.690 -4.995 -1.160) 23.262 4.652 ( -17.829 -11.874 -6.088) 22.269 4.884 ( -30.676 2.167 -10.800) 32.594 5.341 ( -4.026 -3.896 12.126) 13.358 6.273 ( 5.943 -11.136 -14.275) 19.055 6.466 ( -15.366 4.321 12.774) 20.444 7.072 ( -11.222 7.061 -6.739) 14.873 7.318 ( -22.101 4.421 8.912) 24.237 7.833 ( -17.511 1.311 -8.854) 19.666 9.218 ( -8.677 1.549 -5.693) 10.493 9.504 ( 4.185 0.343 -15.330) 15.894 10.697 ( -7.710 4.105 21.649) 23.345 11.218 ( 3.609 -2.200 16.753) 17.278 11.876 ( -22.693 -1.956 -6.832) 23.779 12.152 ( 0.084 -1.477 -7.017) 7.171 14.151 ( 15.445 -3.172 -0.878) 15.792 14.258 ( 15.696 -5.175 -2.245) 16.679 15.039 ( 4.687 -3.200 7.621) 9.501 15.318 ( 4.190 -14.229 4.496) 15.500 15.601 ( 2.412 -4.732 -0.161) 5.313 16.613 ( 1.113 0.894 -15.308) 15.374 16.926 ( 6.101 -4.262 0.956) 7.503 17.404 ( -4.517 2.501 0.474) 5.185 17.489 ( 12.115 4.213 -11.703) 17.363 17.682 ( -0.714 -0.810 -12.066) 12.115 19.416 ( 2.074 -1.742 9.190) 9.581 19.761 ( 0.294 0.224 -2.275) 2.305 ======================= Grid point 672 (220/324) ======================= q-point: (-0.41 0.24 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.461 ( -16.702 16.816 9.354) 25.480 3.032 ( -13.866 7.559 10.008) 18.696 3.306 ( -11.635 3.224 -1.064) 12.120 3.925 ( -29.917 -4.654 2.384) 30.370 4.202 ( -35.602 2.192 -11.561) 37.496 4.562 ( -5.155 -11.193 -9.687) 15.675 5.325 ( -4.064 -8.895 16.678) 19.334 5.984 ( -30.050 1.595 11.541) 32.229 6.260 ( -26.782 -6.602 -4.334) 27.922 6.717 ( -3.116 -5.600 -8.642) 10.758 7.220 ( 5.346 12.111 2.549) 13.481 7.716 ( 4.566 1.433 -10.518) 11.556 8.973 ( -14.830 1.940 0.104) 14.957 9.477 ( -5.490 0.175 -17.622) 18.458 10.515 ( -9.805 3.199 16.774) 19.691 11.305 ( -3.740 0.623 2.258) 4.413 11.528 ( -8.083 -4.487 9.088) 12.964 12.222 ( 5.994 -1.084 -7.196) 9.428 14.492 ( 18.628 -2.310 -0.387) 18.775 14.616 ( 18.864 -3.672 -1.293) 19.262 15.170 ( 7.543 -2.313 3.586) 8.667 15.517 ( 7.246 -14.676 0.364) 16.372 15.693 ( 4.950 -3.691 3.437) 7.067 16.580 ( -4.288 1.720 -12.848) 13.654 16.968 ( -4.482 -0.915 1.768) 4.904 17.239 ( -8.140 2.185 2.232) 8.718 17.448 ( -11.137 3.263 -7.885) 14.030 17.812 ( 10.404 4.953 -21.887) 24.735 19.481 ( 3.164 -3.303 8.874) 9.984 19.770 ( 0.893 0.385 -1.872) 2.109 ======================= Grid point 673 (221/324) ======================= q-point: (-0.35 0.24 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.088 ( -10.759 20.951 11.073) 26.025 2.649 ( -21.097 14.395 14.653) 29.446 3.077 ( -10.500 3.007 -14.903) 18.477 3.487 ( -20.646 3.495 2.562) 21.096 3.584 ( -22.120 5.231 -2.593) 22.878 4.572 ( -1.634 -10.741 -9.227) 14.254 5.162 ( -23.474 -7.246 10.750) 26.815 5.469 ( -23.462 -4.763 9.092) 25.609 5.711 ( -22.830 -5.819 11.652) 26.284 6.858 ( 5.767 -13.459 -15.495) 21.319 7.265 ( 6.617 12.302 3.025) 14.292 7.896 ( 13.520 1.530 -12.903) 18.752 8.693 ( -12.373 2.707 4.646) 13.491 9.350 ( -6.892 0.056 -18.038) 19.309 10.297 ( -11.494 1.341 12.669) 17.158 11.008 ( -18.490 -0.647 -8.372) 20.308 11.668 ( 10.747 -3.149 19.376) 22.380 12.358 ( 7.309 -0.045 -6.490) 9.775 14.854 ( 18.248 -1.481 0.864) 18.328 14.981 ( 18.405 -0.136 0.776) 18.422 15.340 ( 9.744 0.923 0.531) 9.802 15.742 ( 8.547 -10.217 -5.479) 14.403 15.850 ( 9.130 -5.562 6.315) 12.417 16.403 ( -12.411 6.963 -4.501) 14.926 16.788 ( -13.599 -1.761 -5.000) 14.596 17.089 ( -8.350 2.350 4.901) 9.963 17.133 ( -18.907 3.797 -10.283) 21.855 17.910 ( 4.928 10.023 -23.466) 25.989 19.566 ( 3.007 -5.126 7.692) 9.721 19.789 ( 1.299 -0.014 -1.316) 1.849 ======================= Grid point 674 (222/324) ======================= q-point: (-0.29 0.24 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.817 ( -3.699 22.907 13.393) 26.792 2.126 ( -21.639 17.997 13.589) 31.254 2.888 ( -6.873 7.510 -17.408) 20.166 3.041 ( -16.476 7.712 -12.185) 21.896 3.374 ( -2.329 11.266 17.780) 21.177 4.574 ( -7.124 -4.707 0.404) 8.548 4.770 ( -13.503 -9.714 -0.550) 16.643 5.025 ( -21.770 -3.522 -1.824) 22.129 5.616 ( -2.035 -16.248 25.867) 30.615 7.036 ( 3.306 -16.225 -17.404) 24.022 7.297 ( 4.169 12.294 4.693) 13.804 8.125 ( 9.130 1.253 -16.769) 19.134 8.527 ( -2.294 2.803 5.118) 6.270 9.249 ( -3.375 -0.066 -18.461) 18.767 10.093 ( -9.060 0.064 10.864) 14.147 10.720 ( -11.826 -0.800 -7.306) 13.924 11.867 ( 7.583 -3.345 17.926) 19.749 12.472 ( 4.577 0.727 -5.702) 7.348 15.154 ( 11.527 -0.616 4.048) 12.233 15.303 ( 17.945 4.792 2.125) 18.695 15.510 ( 9.740 3.399 -0.966) 10.361 15.976 ( 11.788 -4.055 -4.513) 13.258 16.043 ( -12.604 1.449 -0.286) 12.691 16.084 ( 4.908 3.613 1.483) 6.272 16.500 ( -18.730 -1.247 -7.895) 20.364 16.703 ( -20.609 3.036 -11.730) 23.907 16.925 ( -8.064 3.641 8.644) 12.369 17.896 ( 1.507 12.778 -24.614) 27.774 19.644 ( 1.546 -5.621 5.481) 8.002 19.820 ( 1.355 -2.116 -0.555) 2.574 ======================= Grid point 675 (223/324) ======================= q-point: (-0.24 0.24 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.706 ( -0.000 22.211 17.626) 28.355 1.716 ( -0.000 21.775 12.395) 25.056 2.742 ( -0.000 10.036 -20.133) 22.496 2.847 ( -0.000 10.388 -6.288) 12.143 3.284 ( -0.000 12.517 17.360) 21.402 4.464 ( 0.000 -2.874 10.446) 10.834 4.781 ( 0.000 -11.248 -12.176) 16.577 4.809 ( 0.000 -2.896 -2.122) 3.590 5.714 ( 0.000 -19.698 26.854) 33.304 7.166 ( 0.000 -15.784 -17.870) 23.843 7.265 ( -0.000 11.122 6.381) 12.822 8.182 ( -0.000 2.683 -13.104) 13.376 8.528 ( -0.000 2.845 -3.458) 4.478 9.223 ( 0.000 -0.244 -19.303) 19.305 9.998 ( 0.000 -0.258 11.139) 11.142 10.606 ( 0.000 -0.368 -6.488) 6.499 11.966 ( 0.000 -4.118 16.670) 17.171 12.510 ( -0.000 0.909 -5.210) 5.289 15.258 ( -0.000 0.656 8.043) 8.070 15.547 ( -0.000 5.545 0.965) 5.628 15.617 ( -0.000 5.939 -1.064) 6.033 15.705 ( -0.000 9.438 3.140) 9.947 16.147 ( -0.000 1.431 -10.623) 10.719 16.224 ( -0.000 1.418 0.260) 1.442 16.243 ( -0.000 0.658 -0.291) 0.720 16.447 ( 0.000 -4.280 -14.580) 15.195 16.809 ( -0.000 3.813 9.985) 10.688 17.829 ( -0.000 13.887 -24.988) 28.588 19.687 ( 0.000 -4.125 3.020) 5.113 19.860 ( 0.000 -5.642 -0.076) 5.643 ======================= Grid point 684 (224/324) ======================= q-point: (-0.71 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.177 ( -14.178 -0.000 15.719) 21.168 4.333 ( -20.184 -0.000 1.649) 20.251 4.713 ( -19.610 -0.000 -1.989) 19.710 4.914 ( 2.367 0.000 4.302) 4.910 5.069 ( -6.558 -0.000 -0.232) 6.563 5.424 ( 6.667 0.000 -5.287) 8.509 5.604 ( 0.892 0.000 -3.051) 3.179 6.020 ( -1.729 -0.000 -13.808) 13.916 7.534 ( -10.337 -0.000 1.786) 10.490 7.608 ( -21.046 -0.000 -0.382) 21.050 8.546 ( 18.033 0.000 -1.398) 18.087 8.782 ( 15.659 0.000 -9.902) 18.527 9.084 ( -19.429 -0.000 5.771) 20.268 9.337 ( -18.387 -0.000 -3.256) 18.673 11.298 ( -8.262 -0.000 18.629) 20.379 11.472 ( -7.085 -0.000 7.580) 10.376 12.414 ( -4.302 -0.000 -0.332) 4.314 12.883 ( -10.877 -0.000 -9.822) 14.656 13.823 ( -7.580 -0.000 0.313) 7.586 13.938 ( -8.578 -0.000 -2.674) 8.985 14.789 ( 4.712 0.000 16.353) 17.019 15.384 ( -13.225 -0.000 3.925) 13.795 15.673 ( -10.980 -0.000 -3.859) 11.638 15.954 ( 15.625 0.000 1.164) 15.668 15.966 ( 21.408 0.000 -1.333) 21.450 16.739 ( 1.740 0.000 -35.446) 35.489 17.516 ( 3.115 0.000 -0.168) 3.119 17.521 ( 6.065 0.000 -0.458) 6.082 19.393 ( -1.201 -0.000 10.146) 10.216 19.803 ( -1.452 -0.000 -1.731) 2.259 ======================= Grid point 686 (225/324) ======================= q-point: (-0.65 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.862 ( -18.534 2.614 12.855) 22.706 3.937 ( -21.589 -2.410 2.302) 21.845 4.303 ( -23.454 -0.969 0.829) 23.489 4.834 ( -11.083 -1.497 -4.919) 12.217 5.035 ( 2.705 0.981 8.899) 9.352 5.389 ( -11.190 -2.591 2.634) 11.784 5.708 ( 9.323 2.918 -11.392) 15.007 5.964 ( -5.519 -2.021 -14.706) 15.837 7.155 ( -24.910 0.355 4.894) 25.389 7.339 ( -8.730 1.057 -0.931) 8.843 8.603 ( -30.039 0.601 5.411) 30.529 8.883 ( -25.679 0.320 -3.849) 25.968 8.936 ( 21.393 0.045 -4.220) 21.805 9.098 ( 13.019 0.109 -11.272) 17.221 11.111 ( -10.956 0.493 21.322) 23.977 11.323 ( -8.460 -0.531 10.298) 13.338 12.313 ( -6.297 0.052 -2.875) 6.922 12.621 ( -16.982 -0.359 -8.910) 19.181 13.758 ( 0.729 -1.014 -0.395) 1.310 13.853 ( -0.314 -1.183 -2.529) 2.809 14.872 ( 3.955 0.153 16.152) 16.630 15.182 ( -8.689 -2.341 3.982) 9.841 15.522 ( -5.150 -1.552 -3.431) 6.380 16.279 ( 17.943 -0.378 1.671) 18.024 16.387 ( 20.038 -2.155 -1.881) 20.242 16.810 ( 7.539 -0.389 -34.895) 35.702 17.561 ( 1.436 0.566 0.457) 1.609 17.631 ( 5.251 0.401 -1.881) 5.592 19.375 ( -0.651 -0.185 9.558) 9.582 19.778 ( -1.181 -0.035 -2.271) 2.560 ======================= Grid point 687 (226/324) ======================= q-point: (-0.59 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.461 ( -20.174 6.858 7.500) 22.589 3.591 ( -17.575 -3.748 6.230) 19.019 3.886 ( -21.031 -1.785 3.573) 21.407 4.618 ( -12.600 -3.687 -6.792) 14.782 4.990 ( -15.365 2.801 4.369) 16.218 5.140 ( -10.812 -8.010 7.829) 15.568 5.651 ( -16.626 7.520 -13.659) 22.794 5.971 ( 6.420 -8.123 -12.961) 16.589 6.769 ( -14.507 1.546 10.292) 17.854 7.231 ( -1.131 3.870 -4.069) 5.728 7.968 ( -36.306 0.382 6.123) 36.820 8.332 ( -30.150 0.747 -5.712) 30.695 9.283 ( 5.029 0.883 -10.188) 11.396 9.309 ( 16.172 0.053 -9.484) 18.748 10.909 ( -9.264 1.841 23.262) 25.106 11.193 ( -4.983 -1.527 14.463) 15.373 12.195 ( -5.617 -0.177 -5.771) 8.055 12.265 ( -21.150 -0.955 -8.027) 22.642 13.865 ( 9.587 -1.743 -1.137) 9.811 13.947 ( 8.994 -2.588 -2.489) 9.684 14.934 ( 2.791 -0.751 12.259) 12.595 15.101 ( -2.521 -6.575 4.141) 8.169 15.499 ( 0.902 -2.528 -1.151) 2.920 16.564 ( 9.388 2.555 -6.756) 11.845 16.659 ( 10.445 -5.514 -4.978) 12.818 17.106 ( 22.006 -0.347 -21.448) 30.731 17.549 ( -2.451 1.152 0.767) 2.815 17.694 ( 1.339 0.321 -4.057) 4.284 19.374 ( 0.451 -0.487 9.276) 9.299 19.763 ( -0.398 0.001 -2.505) 2.536 ======================= Grid point 688 (227/324) ======================= q-point: (-0.53 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.050 ( -17.296 12.277 7.519) 22.504 3.319 ( -13.150 -1.306 4.679) 14.019 3.564 ( -13.890 -0.889 6.403) 15.321 4.394 ( -19.437 -3.185 -2.955) 19.916 4.528 ( -24.386 -8.346 -3.211) 25.974 4.896 ( -26.449 -0.242 -6.496) 27.236 5.316 ( -8.763 -0.381 7.041) 11.248 6.150 ( 5.150 -8.839 -14.545) 17.783 6.512 ( -15.473 3.190 12.481) 20.134 7.133 ( -20.736 3.250 -6.411) 21.946 7.375 ( -11.367 4.701 7.684) 14.504 7.841 ( -18.649 0.141 -8.193) 20.370 9.234 ( -8.735 1.021 -5.896) 10.588 9.508 ( 4.159 0.297 -15.010) 15.578 10.741 ( -7.847 3.124 21.426) 23.031 11.192 ( 4.127 -1.993 17.863) 18.441 11.854 ( -23.098 -1.561 -6.758) 24.117 12.139 ( 0.119 -0.727 -7.643) 7.679 14.122 ( 16.284 -1.684 -1.720) 16.461 14.207 ( 16.477 -3.312 -2.499) 16.991 15.004 ( 4.454 -2.111 6.827) 8.420 15.167 ( 3.862 -10.549 3.841) 11.872 15.564 ( 4.137 -1.782 1.519) 4.753 16.619 ( -0.049 0.044 -18.177) 18.177 16.886 ( 8.997 -2.386 4.606) 10.386 17.427 ( -4.122 1.400 0.026) 4.353 17.530 ( 14.861 2.699 -13.901) 20.527 17.672 ( -2.345 -0.797 -9.068) 9.400 19.399 ( 1.649 -1.065 9.352) 9.556 19.763 ( 0.408 0.150 -2.340) 2.380 ======================= Grid point 689 (228/324) ======================= q-point: (-0.47 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.674 ( -12.901 18.262 8.601) 23.956 3.103 ( -9.620 4.509 3.303) 11.126 3.359 ( -8.649 4.475 7.005) 11.996 3.856 ( -30.898 -6.206 1.403) 31.546 4.197 ( -30.879 -3.361 -10.165) 32.682 4.455 ( -9.123 -5.812 -9.921) 14.678 5.231 ( -5.994 -6.507 15.000) 17.414 6.003 ( -29.345 1.207 6.241) 30.026 6.176 ( -22.830 -6.693 -2.184) 23.891 6.665 ( -11.036 -3.125 -5.501) 12.721 7.361 ( 5.813 11.205 0.487) 12.632 7.716 ( 3.737 -1.402 -9.111) 9.947 8.994 ( -14.563 1.461 -0.285) 14.639 9.480 ( -5.579 0.229 -17.301) 18.180 10.549 ( -11.088 2.479 16.771) 20.257 11.310 ( -1.752 0.181 4.630) 4.953 11.478 ( -9.732 -3.651 7.824) 13.010 12.212 ( 6.593 -0.642 -7.714) 10.168 14.472 ( 19.660 -0.939 -1.838) 19.768 14.580 ( 20.745 -2.418 -2.200) 21.001 15.141 ( 8.848 -2.096 2.975) 9.567 15.357 ( 8.855 -11.815 0.943) 14.795 15.663 ( 5.406 -1.428 3.707) 6.709 16.584 ( -4.038 -0.788 -17.207) 17.691 16.976 ( -1.023 1.956 6.989) 7.329 17.255 ( -9.794 0.592 2.077) 10.029 17.481 ( -11.664 2.181 -7.935) 14.275 17.861 ( 13.267 3.186 -20.339) 24.492 19.448 ( 2.423 -2.232 9.465) 10.022 19.774 ( 0.910 0.312 -1.894) 2.124 ======================= Grid point 690 (229/324) ======================= q-point: (-0.41 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.354 ( -8.165 22.696 9.761) 26.020 2.815 ( -18.729 13.068 10.987) 25.343 3.127 ( -9.723 5.331 -9.632) 14.688 3.499 ( -13.262 -1.792 4.279) 14.050 3.627 ( -23.166 1.971 -6.879) 24.246 4.441 ( -1.018 -10.807 -8.493) 13.783 5.070 ( -19.755 -7.829 11.500) 24.162 5.432 ( -26.706 -1.353 8.322) 28.005 5.649 ( -26.635 -4.813 10.171) 28.914 6.709 ( 3.668 -11.062 -14.513) 18.613 7.411 ( 6.536 11.829 0.921) 13.546 7.893 ( 11.853 -1.965 -10.863) 16.198 8.722 ( -12.241 2.069 4.055) 13.060 9.350 ( -6.980 0.062 -17.671) 19.000 10.310 ( -12.739 0.810 12.907) 18.153 11.000 ( -18.851 -0.623 -7.729) 20.384 11.633 ( 11.201 -2.695 19.751) 22.866 12.358 ( 7.945 0.102 -6.965) 10.566 14.846 ( 19.281 0.059 -1.379) 19.330 14.986 ( 21.524 0.673 -1.102) 21.563 15.348 ( 12.049 0.595 0.071) 12.064 15.625 ( 12.583 -9.176 -3.552) 15.973 15.793 ( 7.276 -3.765 5.110) 9.655 16.458 ( -9.873 1.773 -11.675) 15.392 16.797 ( -14.093 3.737 1.835) 14.696 17.104 ( -7.477 0.176 6.777) 10.093 17.173 ( -18.865 2.935 -9.728) 21.428 18.013 ( 6.417 7.147 -22.281) 24.264 19.512 ( 2.347 -3.879 9.143) 10.205 19.791 ( 1.033 0.269 -1.379) 1.744 ======================= Grid point 691 (230/324) ======================= q-point: (-0.35 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.102 ( -3.449 23.956 10.936) 26.559 2.335 ( -18.930 16.700 12.413) 28.131 2.979 ( -4.038 7.828 -16.124) 18.373 3.123 ( -15.447 6.090 -12.480) 20.771 3.486 ( 0.021 6.629 14.842) 16.255 4.497 ( -1.448 -8.261 -4.217) 9.387 4.667 ( -19.102 -7.268 6.087) 21.325 4.984 ( -21.289 -3.251 -1.513) 21.589 5.443 ( -4.880 -12.250 25.376) 28.598 6.848 ( 2.399 -14.652 -17.084) 22.634 7.444 ( 4.192 12.094 2.340) 13.012 8.116 ( 8.389 -2.719 -14.579) 17.039 8.552 ( -3.831 1.434 5.670) 6.992 9.247 ( -3.674 -0.250 -18.015) 18.388 10.092 ( -9.514 -0.219 11.122) 14.638 10.711 ( -11.538 -0.602 -6.920) 13.468 11.828 ( 7.237 -2.948 18.568) 20.145 12.481 ( 4.916 0.793 -6.222) 7.969 15.159 ( 13.278 1.305 -0.191) 13.343 15.363 ( 20.364 5.045 0.353) 20.983 15.554 ( 11.215 3.875 -0.868) 11.897 15.927 ( 14.690 -3.913 -5.081) 16.029 15.978 ( 6.633 -6.470 0.574) 9.284 16.191 ( -12.747 7.471 -3.663) 15.222 16.487 ( -17.164 -0.104 -3.847) 17.590 16.742 ( -22.568 3.364 -10.837) 25.260 16.962 ( -7.442 2.547 11.280) 13.751 18.034 ( 1.916 10.039 -23.871) 25.967 19.576 ( 1.390 -5.316 8.231) 9.897 19.808 ( 0.760 -0.267 -0.934) 1.234 ======================= Grid point 692 (231/324) ======================= q-point: (-0.29 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.966 ( -0.000 19.532 10.314) 22.088 1.989 ( -0.000 24.468 15.018) 28.709 2.859 ( -0.000 9.176 -18.127) 20.317 2.957 ( -0.000 8.430 -12.644) 15.196 3.434 ( -0.000 11.483 18.186) 21.508 4.424 ( 0.000 -3.691 10.198) 10.845 4.641 ( 0.000 -12.226 -8.394) 14.830 4.777 ( 0.000 -2.510 -2.423) 3.489 5.494 ( 0.000 -16.564 26.852) 31.550 6.965 ( 0.000 -16.462 -17.763) 24.218 7.411 ( -0.000 12.316 3.677) 12.853 8.195 ( 0.000 -0.571 -13.310) 13.322 8.540 ( 0.000 -0.452 0.466) 0.649 9.218 ( 0.000 -0.600 -18.584) 18.594 9.995 ( 0.000 -0.269 11.144) 11.147 10.601 ( 0.000 -0.351 -6.460) 6.470 11.920 ( 0.000 -3.594 17.831) 18.190 12.522 ( -0.000 1.038 -5.757) 5.850 15.276 ( -0.000 2.192 2.405) 3.254 15.615 ( -0.000 5.683 1.056) 5.780 15.690 ( -0.000 6.173 -1.123) 6.274 15.813 ( -0.000 8.175 0.440) 8.187 16.137 ( 0.000 -2.860 -10.078) 10.476 16.239 ( -0.000 1.046 0.094) 1.050 16.248 ( -0.000 0.216 -0.176) 0.278 16.410 ( 0.000 -1.677 -15.288) 15.379 16.856 ( -0.000 3.862 13.301) 13.850 17.983 ( -0.000 11.749 -24.602) 27.263 19.623 ( 0.000 -5.881 6.825) 9.009 19.821 ( 0.000 -1.393 -0.615) 1.523 ======================= Grid point 703 (232/324) ======================= q-point: (-0.65 0.35 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.535 ( -18.918 -0.000 0.735) 18.932 3.536 ( -17.447 -0.000 12.691) 21.575 3.874 ( -20.994 -0.000 3.748) 21.326 4.595 ( -12.931 -0.000 -7.320) 14.859 5.029 ( -25.730 -0.000 3.787) 26.007 5.070 ( -0.969 -0.000 9.440) 9.489 5.708 ( -21.086 -0.000 -14.241) 25.445 5.909 ( 9.895 0.000 -12.973) 16.316 6.778 ( -14.101 -0.000 10.506) 17.585 7.255 ( -0.643 -0.000 -4.393) 4.440 7.970 ( -36.452 -0.000 6.217) 36.978 8.337 ( -30.191 -0.000 -5.674) 30.720 9.289 ( 4.547 0.000 -10.363) 11.317 9.309 ( 16.695 0.000 -9.258) 19.090 10.921 ( -8.942 -0.000 23.265) 24.924 11.183 ( -5.136 -0.000 14.557) 15.436 12.194 ( -5.726 -0.000 -5.944) 8.253 12.259 ( -21.227 -0.000 -7.870) 22.639 13.854 ( 9.758 0.000 -1.262) 9.839 13.931 ( 9.005 0.000 -2.492) 9.343 14.930 ( 2.638 0.000 12.443) 12.720 15.059 ( -3.257 -0.000 3.570) 4.832 15.484 ( 1.433 0.000 -0.684) 1.588 16.599 ( 4.055 0.000 -15.095) 15.630 16.605 ( 16.215 0.000 3.853) 16.667 17.104 ( 22.324 0.000 -21.990) 31.335 17.556 ( -2.416 -0.000 0.734) 2.525 17.696 ( 1.199 0.000 -3.846) 4.029 19.372 ( 0.403 0.000 9.287) 9.295 19.763 ( -0.366 -0.000 -2.536) 2.562 ======================= Grid point 705 (233/324) ======================= q-point: (-0.59 0.35 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.187 ( -14.163 9.959 7.965) 19.058 3.282 ( -12.030 -5.177 4.921) 13.990 3.550 ( -13.377 -0.996 5.424) 14.469 4.367 ( -13.143 -1.225 -7.944) 15.406 4.461 ( -32.972 -2.720 2.607) 33.187 4.887 ( -22.974 -0.673 -3.370) 23.230 5.321 ( -12.914 0.616 3.500) 13.394 6.073 ( 5.292 -3.528 -14.803) 16.112 6.539 ( -15.558 1.176 12.280) 19.855 7.156 ( -25.955 0.831 -5.248) 26.493 7.419 ( -4.952 2.063 5.921) 7.990 7.840 ( -19.848 -0.138 -7.676) 21.281 9.242 ( -8.756 0.354 -5.998) 10.619 9.510 ( 4.149 0.119 -14.834) 15.404 10.768 ( -8.031 1.211 21.294) 22.791 11.174 ( 4.441 -0.842 18.452) 18.998 11.840 ( -23.209 -0.595 -6.642) 24.149 12.134 ( 0.069 -0.209 -8.035) 8.038 14.110 ( 16.872 -0.462 -2.245) 17.027 14.180 ( 16.841 -1.175 -2.642) 17.088 14.993 ( 4.770 0.169 7.121) 8.572 15.072 ( 3.338 -4.790 3.120) 6.620 15.552 ( 4.937 -0.406 2.112) 5.386 16.617 ( -1.076 -0.145 -19.660) 19.690 16.868 ( 11.012 -0.697 6.551) 12.832 17.438 ( -3.832 0.443 -0.297) 3.869 17.553 ( 17.431 0.974 -16.004) 23.684 17.665 ( -4.491 -0.364 -6.481) 7.894 19.390 ( 1.447 -0.357 9.436) 9.553 19.764 ( 0.469 0.053 -2.371) 2.417 ======================= Grid point 706 (234/324) ======================= q-point: (-0.53 0.35 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.882 ( -10.334 15.343 10.534) 21.288 3.140 ( -5.396 1.199 1.350) 5.690 3.389 ( -4.896 0.235 7.256) 8.756 3.795 ( -34.755 -3.309 2.550) 35.006 4.135 ( -23.149 -5.495 -10.551) 26.026 4.418 ( -16.498 -1.162 -9.378) 19.013 5.172 ( -7.713 -3.243 13.457) 15.846 6.006 ( -22.792 -0.792 -5.818) 23.537 6.116 ( -26.347 -2.848 7.605) 27.570 6.639 ( -15.572 -1.363 -3.524) 16.023 7.483 ( 7.052 8.825 -1.307) 11.372 7.685 ( 1.981 -3.692 -7.561) 8.644 9.008 ( -14.406 0.783 -0.532) 14.437 9.482 ( -5.662 0.155 -17.101) 18.015 10.573 ( -12.147 1.370 16.805) 20.780 11.310 ( 0.611 -0.064 7.088) 7.114 11.443 ( -11.619 -2.016 6.130) 13.291 12.206 ( 6.941 -0.283 -8.109) 10.678 14.468 ( 20.616 0.103 -3.087) 20.846 14.556 ( 21.892 -1.465 -2.898) 22.132 15.128 ( 9.974 0.138 3.115) 10.450 15.237 ( 9.830 -8.035 1.687) 12.808 15.654 ( 5.473 -0.305 3.285) 6.391 16.570 ( -4.473 -1.196 -18.831) 19.392 17.003 ( 2.888 2.159 9.477) 10.140 17.256 ( -11.956 -0.215 1.729) 12.082 17.501 ( -11.847 1.099 -7.968) 14.320 17.889 ( 14.948 1.534 -19.364) 24.510 19.427 ( 1.976 -1.112 9.804) 10.062 19.777 ( 0.943 0.176 -1.894) 2.123 ======================= Grid point 707 (235/324) ======================= q-point: (-0.47 0.35 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.616 ( -6.797 20.161 11.221) 24.053 2.959 ( -16.728 10.919 7.406) 21.306 3.194 ( -10.632 4.936 -4.492) 12.553 3.444 ( -4.709 -6.895 5.091) 9.780 3.634 ( -25.128 -0.596 -10.194) 27.123 4.323 ( -1.742 -8.334 -8.608) 12.107 4.985 ( -17.820 -6.015 11.620) 22.107 5.433 ( -29.728 1.226 4.193) 30.047 5.594 ( -26.947 -4.243 11.671) 29.670 6.599 ( 1.873 -7.112 -13.423) 15.305 7.547 ( 6.530 10.824 -1.114) 12.690 7.851 ( 10.129 -4.990 -8.213) 13.963 8.742 ( -12.286 1.284 3.606) 12.869 9.351 ( -7.128 0.036 -17.427) 18.829 10.317 ( -13.735 0.389 13.190) 19.047 10.994 ( -18.929 -0.446 -7.233) 20.269 11.605 ( 11.559 -1.814 19.912) 23.096 12.360 ( 8.401 0.135 -7.348) 11.162 14.854 ( 20.362 1.214 -3.608) 20.715 14.992 ( 23.594 0.176 -2.901) 23.773 15.358 ( 14.438 1.363 0.618) 14.515 15.524 ( 15.349 -7.632 -1.380) 17.197 15.760 ( 5.577 -1.710 3.485) 6.795 16.455 ( -9.154 -1.552 -15.633) 18.182 16.867 ( -14.158 6.963 4.851) 16.506 17.092 ( -6.287 -2.198 8.711) 10.965 17.203 ( -18.737 1.890 -9.317) 21.011 18.081 ( 7.532 4.247 -21.352) 23.036 19.474 ( 1.845 -2.351 10.017) 10.453 19.794 ( 0.977 0.261 -1.348) 1.685 ======================= Grid point 708 (236/324) ======================= q-point: (-0.41 0.35 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.374 ( -6.608 20.397 9.395) 23.408 2.522 ( -14.708 14.516 13.062) 24.447 3.079 ( -2.619 8.860 -13.240) 16.145 3.185 ( -13.471 4.086 -11.214) 17.998 3.522 ( 2.332 -0.684 9.899) 10.193 4.381 ( 0.982 -10.348 -6.665) 12.348 4.596 ( -21.550 -4.816 8.948) 23.825 4.951 ( -20.857 -2.091 -1.985) 21.055 5.326 ( -7.133 -7.224 24.738) 26.740 6.693 ( 1.705 -10.895 -16.706) 20.018 7.585 ( 4.255 11.493 0.350) 12.260 8.062 ( 7.559 -6.062 -11.305) 14.889 8.564 ( -5.417 0.735 5.946) 8.077 9.244 ( -3.984 -0.289 -17.683) 18.129 10.089 ( -9.712 -0.290 11.407) 14.984 10.705 ( -11.332 -0.391 -6.677) 13.158 11.797 ( 7.080 -2.191 18.889) 20.291 12.490 ( 5.197 0.683 -6.668) 8.481 15.182 ( 14.420 2.291 -3.881) 15.108 15.417 ( 22.486 3.598 -2.173) 22.876 15.603 ( 12.263 4.321 -0.182) 13.004 15.883 ( 18.368 -4.102 -5.200) 19.525 15.906 ( 8.039 -4.492 1.718) 9.368 16.236 ( -13.938 0.364 -10.174) 17.260 16.513 ( -18.094 4.272 0.912) 18.613 16.779 ( -23.333 2.622 -9.771) 25.431 16.985 ( -6.194 1.209 13.780) 15.157 18.135 ( 2.354 6.841 -23.060) 24.169 19.521 ( 1.107 -3.719 9.816) 10.555 19.809 ( 0.627 0.198 -0.945) 1.151 ======================= Grid point 709 (237/324) ======================= q-point: (-0.35 0.35 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.179 ( -0.000 15.725 8.707) 17.974 2.282 ( -0.000 23.836 14.797) 28.055 2.958 ( -0.000 7.184 -16.319) 17.830 3.060 ( -0.000 9.021 -11.998) 15.011 3.538 ( -0.000 5.110 13.333) 14.278 4.378 ( 0.000 -3.852 10.192) 10.896 4.489 ( 0.000 -12.815 -6.574) 14.403 4.750 ( 0.000 -1.875 -2.905) 3.457 5.325 ( 0.000 -11.375 26.544) 28.879 6.783 ( 0.000 -13.517 -17.643) 22.226 7.557 ( -0.000 11.890 1.592) 11.997 8.165 ( 0.000 -4.498 -12.795) 13.563 8.528 ( 0.000 -1.263 4.604) 4.774 9.210 ( 0.000 -0.648 -18.029) 18.041 9.992 ( 0.000 -0.237 11.154) 11.157 10.598 ( 0.000 -0.288 -6.438) 6.444 11.881 ( 0.000 -2.794 18.433) 18.644 12.535 ( -0.000 0.981 -6.263) 6.339 15.308 ( -0.000 3.068 -2.532) 3.978 15.680 ( -0.000 5.027 1.157) 5.158 15.762 ( -0.000 5.592 -1.202) 5.720 15.891 ( -0.000 4.308 -5.047) 6.636 16.094 ( 0.000 -3.322 -7.413) 8.124 16.247 ( 0.000 -0.062 -0.044) 0.076 16.249 ( -0.000 0.339 -0.076) 0.348 16.404 ( -0.000 0.277 -14.224) 14.227 16.899 ( -0.000 3.177 16.022) 16.334 18.107 ( -0.000 8.778 -23.912) 25.473 19.558 ( 0.000 -4.804 9.160) 10.344 19.814 ( 0.000 -0.046 -0.799) 0.800 ======================= Grid point 722 (238/324) ======================= q-point: (-0.59 0.41 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.995 ( -10.768 -0.000 15.370) 18.767 3.136 ( -1.491 -0.000 -1.813) 2.348 3.383 ( -4.330 -0.000 4.962) 6.585 3.777 ( -36.473 -0.000 4.223) 36.717 4.097 ( -20.629 -0.000 -11.332) 23.537 4.413 ( -18.857 -0.000 -8.878) 20.842 5.153 ( -8.469 -0.000 12.808) 15.355 5.997 ( -17.878 -0.000 -12.443) 21.781 6.102 ( -30.264 -0.000 13.415) 33.104 6.631 ( -16.946 -0.000 -2.878) 17.188 7.549 ( 10.153 0.000 -1.989) 10.346 7.649 ( -1.344 -0.000 -6.935) 7.064 9.012 ( -14.354 -0.000 -0.616) 14.367 9.483 ( -5.697 -0.000 -17.033) 17.961 10.581 ( -12.567 -0.000 16.824) 21.000 11.310 ( 1.773 0.000 8.239) 8.428 11.431 ( -12.555 -0.000 5.250) 13.608 12.205 ( 7.054 0.000 -8.256) 10.859 14.470 ( 21.057 0.000 -3.659) 21.372 14.547 ( 22.209 0.000 -3.091) 22.423 15.139 ( 10.868 0.000 3.607) 11.451 15.177 ( 9.689 0.000 1.660) 9.831 15.653 ( 5.482 0.000 3.051) 6.274 16.562 ( -4.689 -0.000 -19.116) 19.683 17.018 ( 4.761 0.000 10.182) 11.240 17.254 ( -13.168 -0.000 1.498) 13.253 17.507 ( -11.887 -0.000 -7.980) 14.317 17.898 ( 15.504 0.000 -19.030) 24.546 19.421 ( 1.828 0.000 9.914) 10.081 19.778 ( 0.958 0.000 -1.892) 2.120 ======================= Grid point 724 (239/324) ======================= q-point: (-0.53 0.41 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.804 ( -6.642 9.225 15.934) 19.573 3.084 ( -19.203 10.066 3.847) 22.020 3.205 ( -8.502 -5.009 -2.360) 10.146 3.372 ( 1.407 -2.937 5.053) 6.012 3.620 ( -25.785 -1.126 -12.225) 28.558 4.252 ( -3.007 -3.153 -9.077) 10.069 4.934 ( -17.346 -2.224 11.483) 20.921 5.452 ( -32.013 1.372 -2.693) 32.156 5.552 ( -25.408 -2.295 16.825) 30.560 6.542 ( 0.791 -2.425 -12.669) 12.923 7.667 ( 6.575 8.965 -3.538) 11.667 7.777 ( 9.024 -7.042 -5.250) 12.593 8.752 ( -12.354 0.434 3.360) 12.810 9.351 ( -7.234 0.011 -17.306) 18.757 10.320 ( -14.281 0.109 13.373) 19.565 10.990 ( -18.903 -0.161 -6.964) 20.145 11.590 ( 11.756 -0.639 19.954) 23.168 12.361 ( 8.636 0.060 -7.563) 11.480 14.868 ( 20.967 0.828 -5.205) 21.620 14.991 ( 24.538 -0.226 -3.895) 24.846 15.386 ( 16.273 3.402 1.054) 16.658 15.443 ( 16.435 -5.693 0.339) 17.396 15.749 ( 4.725 -0.405 2.329) 5.283 16.437 ( -9.209 -0.930 -16.468) 18.891 16.944 ( -16.218 4.929 2.865) 17.191 17.057 ( -3.370 -2.999 11.987) 12.808 17.218 ( -18.607 0.654 -9.058) 20.705 18.115 ( 8.127 1.405 -20.843) 22.415 19.456 ( 1.586 -0.782 10.431) 10.580 19.797 ( 0.974 0.103 -1.316) 1.641 ======================= Grid point 725 (240/324) ======================= q-point: (-0.47 0.41 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.562 ( -15.383 10.174 6.988) 19.723 2.683 ( -6.291 11.615 17.157) 21.653 3.185 ( -7.199 7.638 -12.516) 16.335 3.224 ( -5.350 3.338 -8.493) 10.578 3.475 ( 3.283 -6.592 5.801) 9.375 4.269 ( 0.618 -7.423 -8.088) 10.995 4.549 ( -21.187 -2.864 9.367) 23.342 4.934 ( -21.070 -0.746 -3.042) 21.302 5.266 ( -8.081 -3.007 24.398) 25.877 6.592 ( 1.281 -5.751 -16.309) 17.340 7.718 ( 4.464 10.449 -1.862) 11.514 7.975 ( 6.548 -8.104 -7.456) 12.812 8.570 ( -6.367 0.345 5.830) 8.640 9.241 ( -4.192 -0.184 -17.484) 17.980 10.086 ( -9.763 -0.189 11.604) 15.165 10.702 ( -11.214 -0.191 -6.546) 12.986 11.777 ( 7.027 -1.167 19.008) 20.298 12.496 ( 5.380 0.395 -6.970) 8.813 15.208 ( 14.955 1.897 -6.555) 16.439 15.445 ( 23.730 1.130 -4.794) 24.236 15.660 ( 12.633 5.330 0.956) 13.745 15.815 ( 16.002 -6.316 -0.049) 17.203 15.884 ( 14.264 -0.382 -2.065) 14.418 16.222 ( -14.453 -1.766 -12.529) 19.209 16.568 ( -20.014 3.909 1.315) 20.434 16.803 ( -23.611 1.386 -8.983) 25.300 16.993 ( -4.691 0.274 15.953) 16.631 18.197 ( 2.677 3.451 -22.464) 22.885 19.488 ( 0.924 -1.867 10.671) 10.872 19.811 ( 0.605 0.187 -0.883) 1.087 ======================= Grid point 726 (241/324) ======================= q-point: (-0.41 0.41 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.337 ( -0.000 10.388 7.534) 12.832 2.544 ( -0.000 18.984 16.962) 25.458 3.028 ( -0.000 4.469 -14.909) 15.564 3.177 ( -0.000 10.496 -9.248) 13.989 3.548 ( 0.000 -3.414 7.565) 8.300 4.336 ( 0.000 -2.984 10.343) 10.765 4.343 ( 0.000 -11.044 -6.984) 13.067 4.732 ( 0.000 -1.151 -3.412) 3.601 5.224 ( 0.000 -5.627 25.995) 26.597 6.649 ( 0.000 -8.748 -17.408) 19.482 7.696 ( -0.000 11.289 -0.444) 11.298 8.089 ( 0.000 -7.910 -9.864) 12.644 8.515 ( 0.000 -0.695 6.378) 6.416 9.204 ( 0.000 -0.460 -17.686) 17.692 9.990 ( 0.000 -0.164 11.165) 11.166 10.595 ( 0.000 -0.189 -6.422) 6.425 11.853 ( 0.000 -1.774 18.682) 18.766 12.545 ( -0.000 0.702 -6.654) 6.691 15.346 ( -0.000 2.905 -6.332) 6.966 15.732 ( -0.000 3.517 1.254) 3.734 15.820 ( -0.000 4.043 -1.296) 4.246 15.906 ( 0.000 -1.366 -13.286) 13.356 16.077 ( -0.000 0.493 -1.136) 1.238 16.242 ( 0.000 -0.541 0.086) 0.548 16.253 ( -0.000 0.176 -0.222) 0.283 16.410 ( -0.000 0.619 -13.234) 13.249 16.931 ( -0.000 2.087 18.053) 18.173 18.192 ( -0.000 5.389 -23.255) 23.872 19.511 ( 0.000 -2.938 10.453) 10.858 19.816 ( -0.000 0.213 -0.749) 0.778 ======================= Grid point 741 (242/324) ======================= q-point: (-0.53 0.47 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.621 ( -18.713 -0.000 6.177) 19.706 2.761 ( -3.556 -0.000 19.665) 19.984 3.218 ( -15.196 -0.000 -13.199) 20.128 3.280 ( 5.413 0.000 -8.197) 9.823 3.409 ( 2.524 0.000 5.465) 6.020 4.222 ( 0.213 0.000 -8.921) 8.923 4.531 ( -20.834 -0.000 9.420) 22.865 4.930 ( -21.314 -0.000 -3.640) 21.623 5.249 ( -8.202 -0.000 24.342) 25.687 6.557 ( 1.140 0.000 -16.132) 16.172 7.809 ( 4.577 0.000 -4.477) 6.403 7.898 ( 6.081 0.000 -4.120) 7.345 8.573 ( -6.661 -0.000 5.726) 8.784 9.240 ( -4.262 -0.000 -17.418) 17.932 10.084 ( -9.767 -0.000 11.671) 15.219 10.701 ( -11.177 -0.000 -6.504) 12.931 11.770 ( 7.016 0.000 19.033) 20.285 12.499 ( 5.443 0.000 -7.077) 8.928 15.221 ( 15.073 0.000 -7.589) 16.876 15.450 ( 24.026 0.000 -5.778) 24.711 15.716 ( 9.138 0.000 1.722) 9.299 15.753 ( 19.822 0.000 0.441) 19.827 15.883 ( 15.799 0.000 -2.187) 15.950 16.209 ( -14.850 -0.000 -12.973) 19.719 16.593 ( -20.966 -0.000 0.752) 20.979 16.812 ( -23.663 -0.000 -8.670) 25.201 16.994 ( -3.941 -0.000 16.907) 17.360 18.218 ( 2.794 0.000 -22.248) 22.422 19.476 ( 0.863 0.000 10.945) 10.979 19.812 ( 0.604 0.000 -0.855) 1.047 ======================= Grid point 743 (243/324) ======================= q-point: (-0.47 0.47 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.422 ( -0.000 3.667 6.885) 7.801 2.711 ( -0.000 7.723 20.024) 21.462 3.064 ( -0.000 1.494 -14.117) 14.196 3.305 ( -0.000 9.953 -7.894) 12.704 3.470 ( 0.000 -8.210 4.262) 9.251 4.244 ( 0.000 -4.652 -8.458) 9.653 4.310 ( 0.000 -1.132 10.484) 10.545 4.723 ( 0.000 -0.388 -3.738) 3.759 5.183 ( 0.000 -1.486 25.441) 25.485 6.577 ( 0.000 -3.008 -17.193) 17.455 7.822 ( -0.000 8.957 -3.089) 9.475 7.987 ( 0.000 -8.084 -5.771) 9.932 8.510 ( 0.000 -0.171 6.591) 6.593 9.200 ( 0.000 -0.163 -17.527) 17.528 9.988 ( 0.000 -0.058 11.172) 11.172 10.593 ( 0.000 -0.066 -6.414) 6.414 11.839 ( 0.000 -0.609 18.757) 18.767 12.551 ( -0.000 0.254 -6.868) 6.873 15.372 ( -0.000 1.264 -8.490) 8.584 15.762 ( -0.000 1.274 1.319) 1.833 15.855 ( -0.000 1.506 -1.371) 2.037 15.884 ( 0.000 -1.417 -16.156) 16.218 16.088 ( -0.000 0.779 0.900) 1.191 16.236 ( 0.000 -0.285 0.182) 0.338 16.254 ( -0.000 0.017 -0.314) 0.315 16.416 ( -0.000 0.263 -12.743) 12.745 16.948 ( -0.000 0.729 19.146) 19.160 18.236 ( -0.000 1.814 -22.870) 22.942 19.488 ( 0.000 -0.977 11.052) 11.095 19.818 ( -0.000 0.104 -0.690) 0.698 ======================= Grid point 891 (244/324) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.410 ( 0.000 0.000 25.475) 25.475 1.743 ( 0.000 0.000 30.392) 30.392 1.916 ( 0.000 0.000 -26.253) 26.253 2.314 ( 0.000 0.000 -26.733) 26.733 3.596 ( 0.000 0.000 48.311) 48.311 4.471 ( 0.000 0.000 -39.752) 39.752 4.717 ( 0.000 0.000 8.082) 8.082 4.839 ( 0.000 0.000 -4.599) 4.599 6.856 ( 0.000 0.000 18.735) 18.735 7.229 ( 0.000 0.000 -18.843) 18.843 7.273 ( 0.000 0.000 16.486) 16.486 7.569 ( 0.000 0.000 -13.703) 13.703 8.497 ( 0.000 0.000 14.184) 14.184 8.819 ( 0.000 0.000 -18.654) 18.654 10.237 ( 0.000 0.000 12.016) 12.016 10.455 ( 0.000 0.000 -9.975) 9.975 12.276 ( 0.000 0.000 7.096) 7.096 12.397 ( 0.000 0.000 -5.364) 5.364 15.411 ( 0.000 0.000 1.034) 1.034 15.432 ( 0.000 0.000 -1.118) 1.118 15.537 ( 0.000 0.000 8.695) 8.695 15.688 ( 0.000 0.000 -7.048) 7.048 15.954 ( 0.000 0.000 27.218) 27.218 16.186 ( 0.000 0.000 0.737) 0.737 16.200 ( 0.000 0.000 -0.692) 0.692 16.419 ( 0.000 0.000 -14.429) 14.429 16.788 ( 0.000 0.000 -1.082) 1.082 16.869 ( 0.000 0.000 -14.285) 14.285 19.762 ( 0.000 0.000 5.607) 5.607 19.953 ( 0.000 0.000 -13.568) 13.568 ======================= Grid point 892 (245/324) ======================= q-point: ( 0.06 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.778 ( 29.196 1.438 22.218) 36.717 1.856 ( 15.444 -5.336 26.820) 31.405 2.215 ( 28.403 -1.226 -22.857) 36.478 2.395 ( 9.022 -1.732 -25.968) 27.545 3.619 ( 2.500 -1.690 46.608) 46.705 4.442 ( -0.520 0.401 -34.493) 34.499 4.960 ( 22.916 0.421 3.521) 23.188 5.050 ( 21.395 0.463 -4.249) 21.818 6.763 ( -8.155 3.612 20.667) 22.509 7.149 ( -5.750 4.906 -13.166) 15.182 7.234 ( -6.062 -4.082 9.604) 12.068 7.515 ( -6.218 -1.741 -13.728) 15.171 8.561 ( 6.496 -0.823 13.518) 15.020 8.866 ( 4.985 -0.375 -17.719) 18.410 10.313 ( 7.653 -0.100 12.920) 15.016 10.553 ( 9.785 0.029 -11.471) 15.077 12.206 ( -6.574 0.288 8.899) 11.067 12.352 ( -4.508 0.091 -6.201) 7.667 15.331 ( -12.860 1.690 5.377) 14.041 15.423 ( -7.861 1.336 -3.620) 8.757 15.603 ( 4.978 -2.294 5.947) 8.087 15.615 ( 4.560 -2.040 0.522) 5.023 16.011 ( 9.093 0.224 14.625) 17.223 16.318 ( 8.124 3.113 -6.276) 10.727 16.352 ( 14.491 0.638 1.700) 14.605 16.468 ( 6.982 -0.448 -10.995) 13.033 16.803 ( 2.026 -0.980 -0.279) 2.268 16.892 ( 0.318 -5.854 -12.835) 14.110 19.754 ( -0.727 0.136 4.817) 4.873 19.916 ( -3.312 1.017 -11.266) 11.786 ======================= Grid point 893 (246/324) ======================= q-point: ( 0.12 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.110 ( 19.867 1.812 24.605) 31.676 2.499 ( 28.536 -1.223 4.927) 28.984 2.675 ( 28.537 -0.734 -11.610) 30.817 2.923 ( 39.278 -4.404 -18.235) 43.528 3.747 ( 11.112 -3.334 40.134) 41.777 4.475 ( 4.736 0.839 -32.063) 32.421 5.495 ( 32.963 1.030 3.822) 33.199 5.567 ( 32.077 0.218 -3.071) 32.225 6.546 ( -11.216 4.496 22.559) 25.591 6.970 ( -10.559 3.902 -19.073) 22.148 7.113 ( -7.816 -2.441 12.715) 15.123 7.376 ( -9.110 -2.626 -12.689) 15.840 8.741 ( 11.630 -0.819 11.134) 16.122 9.003 ( 8.834 -0.298 -15.788) 18.093 10.499 ( 11.275 -0.691 15.171) 18.915 10.785 ( 13.956 -0.330 -13.761) 19.602 12.061 ( -7.780 0.610 11.469) 13.872 12.247 ( -5.946 0.424 -7.830) 9.841 15.036 ( -16.328 1.748 5.464) 17.306 15.144 ( -16.481 2.401 -5.450) 17.524 15.618 ( -1.633 2.826 18.778) 19.059 15.811 ( 8.250 -3.044 -0.302) 8.799 16.220 ( 10.273 6.370 -0.395) 12.094 16.398 ( 4.548 6.045 -11.939) 14.134 16.676 ( 17.642 -2.371 -4.089) 18.264 16.698 ( 17.171 -1.149 -4.674) 17.832 16.893 ( 4.898 -6.293 -0.360) 7.983 16.947 ( 1.048 -8.132 -8.603) 11.884 19.735 ( -1.079 0.293 2.825) 3.038 19.829 ( -4.828 1.360 -6.123) 7.916 ======================= Grid point 894 (247/324) ======================= q-point: ( 0.18 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.530 ( 26.064 3.451 20.705) 33.466 2.921 ( 22.797 2.661 -13.627) 26.692 3.263 ( 25.283 -3.014 18.712) 31.598 3.670 ( 35.564 -2.910 -19.161) 40.502 4.146 ( 29.978 -2.523 22.208) 37.393 4.634 ( 14.084 1.908 -25.129) 28.870 6.055 ( 18.164 3.851 10.588) 21.374 6.152 ( 26.494 -1.327 0.829) 26.541 6.379 ( 3.127 1.841 12.073) 12.607 6.720 ( -12.799 3.417 -19.225) 23.347 7.028 ( 0.080 -2.179 12.553) 12.741 7.263 ( -2.195 -3.306 -11.363) 12.036 8.969 ( 11.097 -0.603 7.060) 13.166 9.166 ( 7.259 -0.146 -13.179) 15.046 10.721 ( 11.323 -1.620 18.220) 21.513 11.050 ( 13.069 -1.295 -14.871) 19.840 11.943 ( -3.084 1.403 12.161) 12.624 12.149 ( -3.257 1.249 -9.016) 9.667 14.721 ( -15.525 2.805 4.860) 16.508 14.820 ( -15.921 3.560 -5.002) 17.064 15.546 ( -3.695 2.731 22.276) 22.745 15.905 ( 2.327 2.952 -9.857) 10.549 16.276 ( 2.517 12.260 0.893) 12.547 16.416 ( 0.950 6.048 -10.467) 12.126 16.969 ( 10.155 -6.414 -1.195) 12.070 16.987 ( 2.794 -4.196 -3.563) 6.173 17.033 ( 5.784 -8.077 -0.196) 9.936 17.113 ( 17.833 -2.806 -10.744) 21.008 19.710 ( -1.643 1.000 0.906) 2.126 19.735 ( -3.791 0.670 -1.301) 4.064 ======================= Grid point 895 (248/324) ======================= q-point: ( 0.24 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.022 ( 28.619 4.964 17.760) 34.045 3.350 ( 24.892 3.971 -10.879) 27.454 3.673 ( 18.507 -4.668 23.645) 30.387 4.213 ( 20.334 -3.636 -25.856) 33.094 4.773 ( 31.791 1.828 8.663) 33.001 4.991 ( 23.918 4.836 -12.935) 27.618 6.014 ( -5.579 4.628 20.449) 21.695 6.396 ( -8.193 4.803 -18.220) 20.546 6.514 ( 6.384 -1.751 6.872) 9.542 6.606 ( 1.978 -4.992 -2.517) 5.930 7.320 ( 29.678 -1.811 7.635) 30.698 7.477 ( 24.086 -3.362 -8.288) 25.693 9.116 ( 3.026 -0.759 2.338) 3.899 9.234 ( -1.075 -0.388 -9.797) 9.863 10.940 ( 11.114 -2.166 20.288) 23.234 11.263 ( 8.572 -1.570 -11.020) 14.049 11.969 ( 7.285 1.762 6.934) 10.210 12.130 ( 2.513 2.072 -8.368) 8.979 14.432 ( -12.706 4.508 4.032) 14.072 14.517 ( -13.269 5.206 -4.446) 14.931 15.457 ( -4.397 1.477 23.657) 24.107 15.897 ( 0.072 5.260 -16.393) 17.216 16.198 ( -1.426 15.302 2.957) 15.650 16.354 ( -3.102 7.582 -11.914) 14.459 16.993 ( -4.593 -4.767 -0.883) 6.678 17.027 ( -4.842 -7.755 -3.021) 9.628 17.274 ( 11.330 -2.431 3.786) 12.191 17.404 ( 10.716 -1.615 -10.196) 14.879 19.647 ( -2.780 1.330 4.008) 5.056 19.706 ( -0.264 0.232 -2.395) 2.421 ======================= Grid point 896 (249/324) ======================= q-point: ( 0.29 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.524 ( 27.711 4.660 16.098) 32.385 3.792 ( 24.732 4.388 -6.475) 25.940 4.055 ( 19.466 -4.517 17.397) 26.495 4.541 ( 13.718 -4.409 -25.361) 29.169 5.158 ( 9.391 3.239 5.991) 11.600 5.299 ( 9.186 6.298 -7.804) 13.600 5.941 ( 0.364 5.744 12.713) 13.955 6.170 ( -10.806 4.679 -9.572) 15.176 6.699 ( 14.472 -4.156 2.259) 15.225 6.742 ( 12.697 -5.357 -1.767) 13.894 7.966 ( 34.850 -2.344 5.650) 35.382 8.071 ( 33.645 -2.978 -5.139) 34.166 9.074 ( -7.900 -1.233 -1.516) 8.138 9.117 ( -11.478 -0.816 -5.863) 12.914 11.169 ( 12.012 -1.598 18.865) 22.421 11.408 ( 7.046 -0.211 -3.866) 8.040 12.164 ( 12.434 1.162 -1.418) 12.568 12.219 ( 8.435 1.555 -5.758) 10.331 14.204 ( -7.956 6.007 3.116) 10.445 14.273 ( -8.635 6.563 -3.770) 11.482 15.363 ( -5.119 0.309 24.775) 25.300 15.853 ( -1.746 4.914 -20.241) 20.902 16.054 ( -3.676 15.746 4.889) 16.892 16.223 ( -5.313 8.395 -13.194) 16.516 16.871 ( -10.554 -2.242 -0.555) 10.804 16.909 ( -10.860 -2.931 -3.235) 11.704 17.435 ( 4.380 -1.648 3.212) 5.676 17.527 ( 1.881 -0.840 -6.422) 6.744 19.607 ( -0.698 1.069 6.718) 6.838 19.711 ( 0.886 0.478 -3.930) 4.057 ======================= Grid point 897 (250/324) ======================= q-point: ( 0.35 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.991 ( 24.293 2.730 14.884) 28.620 4.210 ( 22.370 4.456 -3.646) 23.099 4.442 ( 18.703 -3.406 10.312) 21.627 4.800 ( 11.040 -4.235 -19.472) 22.780 5.169 ( -3.467 1.501 5.623) 6.774 5.291 ( -3.424 5.287 -5.750) 8.529 5.888 ( -3.338 5.294 2.609) 6.780 5.954 ( -9.149 1.909 -3.709) 10.055 7.090 ( 22.454 -2.996 2.234) 22.763 7.136 ( 23.749 -1.480 -2.387) 23.914 8.593 ( 29.021 -2.412 5.753) 29.684 8.674 ( 23.151 -3.178 -3.074) 23.570 8.842 ( -16.405 -0.755 -1.380) 16.480 8.892 ( -6.688 -1.199 -5.877) 8.984 11.395 ( 10.903 -0.548 14.665) 18.282 11.537 ( 6.710 0.874 0.353) 6.776 12.340 ( 8.457 1.264 0.957) 8.604 12.442 ( 13.051 -0.283 -9.133) 15.931 14.073 ( -1.836 6.523 2.324) 7.163 14.127 ( -2.485 6.874 -3.007) 7.903 15.259 ( -5.989 -0.297 25.183) 25.887 15.750 ( -6.992 4.467 -19.441) 21.138 15.892 ( -4.243 12.215 5.981) 14.248 16.077 ( -4.703 6.426 -15.621) 17.534 16.641 ( -13.698 1.042 -0.766) 13.759 16.682 ( -12.687 1.818 -3.998) 13.426 17.465 ( -1.558 -1.007 1.437) 2.347 17.504 ( -4.028 -0.609 -2.648) 4.858 19.603 ( 0.725 0.952 8.220) 8.307 19.731 ( 1.538 0.652 -4.741) 5.027 ======================= Grid point 898 (251/324) ======================= q-point: ( 0.41 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.387 ( 18.804 0.908 13.323) 23.063 4.557 ( 16.802 3.778 -1.429) 17.280 4.771 ( 13.735 -2.985 4.816) 14.857 4.983 ( 5.414 -2.346 -8.746) 10.550 5.078 ( -5.071 -0.796 1.450) 5.334 5.182 ( -3.566 5.631 -5.773) 8.818 5.751 ( -6.440 2.824 3.025) 7.655 5.849 ( -2.621 -0.021 -7.225) 7.686 7.487 ( 17.080 -1.103 2.840) 17.350 7.548 ( 18.203 -0.192 -3.385) 18.516 8.530 ( -14.959 -0.557 0.317) 14.972 8.574 ( -12.930 -1.390 -4.295) 13.695 9.097 ( 20.696 -1.668 7.738) 22.158 9.233 ( 21.148 -1.874 -6.364) 22.164 11.567 ( 7.100 0.111 10.333) 12.538 11.639 ( 4.577 1.009 2.207) 5.181 12.475 ( 6.226 0.439 5.397) 8.251 12.657 ( 9.095 -0.452 -12.017) 15.078 14.055 ( 3.425 5.469 1.814) 6.703 14.097 ( 2.844 5.577 -2.270) 6.659 15.146 ( -6.171 -0.603 23.565) 24.368 15.551 ( -10.729 2.700 -12.755) 16.885 15.739 ( -6.218 6.478 6.223) 10.924 15.991 ( -1.369 3.298 -20.269) 20.581 16.383 ( -11.307 3.570 0.291) 11.861 16.452 ( -9.099 3.862 -6.339) 11.743 17.406 ( -4.890 -0.483 0.558) 4.945 17.420 ( -4.141 -0.689 -0.825) 4.278 19.615 ( 0.939 0.749 9.036) 9.115 19.755 ( 1.345 0.604 -5.096) 5.305 ======================= Grid point 899 (252/324) ======================= q-point: ( 0.47 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.663 ( 9.878 -0.231 12.891) 16.242 4.771 ( 6.892 1.853 2.265) 7.487 4.954 ( 0.745 -2.293 1.488) 2.833 4.974 ( -1.494 0.083 2.594) 2.995 5.058 ( 1.808 -0.026 -6.104) 6.366 5.116 ( -1.395 2.382 -8.419) 8.860 5.656 ( -2.372 0.631 5.792) 6.291 5.829 ( -0.174 -0.261 -11.739) 11.743 7.710 ( 5.881 -0.333 3.273) 6.739 7.783 ( 6.391 -0.059 -4.225) 7.661 8.328 ( -5.890 -0.103 2.025) 6.230 8.399 ( -5.281 -0.402 -5.279) 7.478 9.373 ( 7.534 -0.611 8.592) 11.444 9.521 ( 7.861 -0.742 -6.626) 10.307 11.655 ( 2.370 0.131 7.792) 8.146 11.692 ( 1.538 0.431 2.836) 3.255 12.555 ( 2.275 0.067 7.962) 8.281 12.775 ( 3.190 -0.184 -13.170) 13.552 14.105 ( 3.172 2.327 1.389) 4.172 14.134 ( 2.501 2.268 -1.467) 3.681 15.054 ( -3.187 -0.478 20.257) 20.512 15.370 ( -5.928 0.406 -9.712) 11.385 15.612 ( -3.503 1.933 9.948) 10.722 15.973 ( 0.262 0.925 -25.637) 25.655 16.210 ( -4.539 2.170 3.729) 6.262 16.320 ( -2.960 1.952 -8.335) 9.057 17.333 ( -2.376 -0.225 1.636) 2.893 17.365 ( -1.810 -0.255 -1.581) 2.417 19.625 ( 0.387 0.293 9.424) 9.436 19.771 ( 0.518 0.249 -5.237) 5.269 ======================= Grid point 909 (253/324) ======================= q-point: ( 0.06 0.06 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.123 ( 19.962 0.000 24.808) 31.842 2.489 ( 31.988 0.000 9.348) 33.326 2.674 ( 26.006 0.000 -16.250) 30.666 2.894 ( 40.942 0.000 -18.317) 44.853 3.726 ( 11.120 0.000 41.648) 43.107 4.480 ( 4.746 0.000 -33.128) 33.466 5.501 ( 33.156 0.000 3.381) 33.328 5.568 ( 31.691 0.000 -2.831) 31.817 6.573 ( -12.097 -0.000 22.282) 25.354 6.996 ( -11.632 -0.000 -20.562) 23.624 7.095 ( -6.846 -0.000 14.691) 16.208 7.361 ( -8.878 -0.000 -12.401) 15.251 8.736 ( 11.835 0.000 11.310) 16.370 9.001 ( 8.955 0.000 -15.936) 18.279 10.495 ( 11.113 0.000 15.284) 18.897 10.783 ( 13.771 0.000 -13.879) 19.551 12.065 ( -7.699 -0.000 11.394) 13.751 12.249 ( -5.824 -0.000 -7.779) 9.718 15.047 ( -16.424 -0.000 5.642) 17.366 15.159 ( -16.610 -0.000 -5.702) 17.561 15.636 ( -1.737 -0.000 18.891) 18.971 15.789 ( 10.322 0.000 1.608) 10.447 16.265 ( 13.338 0.000 -2.686) 13.606 16.438 ( 3.476 0.000 -14.901) 15.301 16.664 ( 13.471 0.000 -0.483) 13.480 16.689 ( 20.793 0.000 -4.465) 21.267 16.841 ( 2.608 0.000 -0.036) 2.609 16.903 ( 2.731 0.000 -9.387) 9.776 19.737 ( -1.059 -0.000 2.986) 3.169 19.838 ( -5.033 -0.000 -6.635) 8.328 ======================= Grid point 910 (254/324) ======================= q-point: ( 0.12 0.06 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.563 ( 26.851 1.632 20.547) 33.850 2.943 ( 23.086 0.921 -9.738) 25.073 3.240 ( 25.095 -0.842 15.941) 29.742 3.647 ( 36.194 -0.988 -19.439) 41.096 4.122 ( 31.613 -1.182 23.933) 39.668 4.647 ( 14.539 0.522 -27.028) 30.695 6.094 ( 18.719 2.620 7.798) 20.447 6.131 ( 27.269 -1.991 2.601) 27.465 6.395 ( 0.189 0.718 13.170) 13.191 6.747 ( -13.813 1.094 -19.482) 23.907 7.012 ( 0.679 -0.576 12.298) 12.330 7.236 ( -2.164 -1.122 -10.544) 10.822 8.965 ( 11.227 -0.205 7.266) 13.375 9.165 ( 7.285 -0.039 -13.366) 15.222 10.708 ( 11.136 -0.571 18.360) 21.480 11.039 ( 12.797 -0.461 -14.993) 19.717 11.954 ( -2.892 0.478 12.048) 12.399 12.159 ( -2.984 0.439 -8.999) 9.491 14.744 ( -15.236 1.007 5.123) 16.106 14.849 ( -15.713 1.270 -5.429) 16.673 15.568 ( -4.590 0.915 23.554) 24.014 15.924 ( 3.818 0.579 -7.951) 8.839 16.408 ( 4.349 8.281 -4.227) 10.264 16.469 ( 0.898 1.511 -10.727) 10.870 16.892 ( 4.117 -3.661 0.867) 5.577 16.913 ( 3.359 -5.738 -0.272) 6.654 17.004 ( 11.305 0.018 -3.131) 11.731 17.088 ( 19.432 -1.107 -10.868) 22.293 19.717 ( -0.921 0.282 0.565) 1.117 19.742 ( -4.756 0.327 -1.285) 4.937 ======================= Grid point 911 (255/324) ======================= q-point: ( 0.18 0.06 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.080 ( 29.476 4.204 17.381) 34.476 3.381 ( 23.935 1.081 -1.601) 24.012 3.633 ( 18.951 -1.884 16.608) 25.269 4.178 ( 19.758 -2.100 -26.955) 33.487 4.788 ( 33.653 0.630 9.913) 35.088 5.033 ( 24.956 2.302 -14.580) 28.994 6.055 ( -5.953 2.246 20.634) 21.593 6.437 ( -4.928 1.920 -17.251) 18.044 6.506 ( 2.689 0.421 4.403) 5.176 6.556 ( -0.074 -3.335 -1.064) 3.501 7.305 ( 29.638 -0.744 6.972) 30.456 7.444 ( 24.695 -1.945 -7.238) 25.807 9.109 ( 2.903 -0.390 2.517) 3.863 9.230 ( -1.250 -0.190 -9.975) 10.055 10.920 ( 11.351 -1.144 20.455) 23.421 11.248 ( 9.090 -0.855 -11.494) 14.679 11.985 ( 6.879 0.908 7.226) 10.018 12.149 ( 2.502 1.103 -8.495) 8.924 14.474 ( -12.275 2.445 4.351) 13.250 14.566 ( -12.945 2.846 -4.857) 14.116 15.468 ( -5.331 0.576 24.934) 25.505 15.940 ( -0.590 2.120 -18.313) 18.444 16.366 ( -1.261 11.871 -1.163) 11.994 16.443 ( -1.597 6.436 -7.073) 9.695 16.916 ( -4.071 -7.165 -0.270) 8.245 16.946 ( -3.039 -5.265 -3.008) 6.782 17.255 ( 11.961 -0.893 3.523) 12.501 17.389 ( 11.454 -0.824 -10.658) 15.668 19.660 ( -3.107 0.774 3.407) 4.675 19.709 ( -0.121 0.110 -1.955) 1.962 ======================= Grid point 912 (256/324) ======================= q-point: ( 0.24 0.06 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.588 ( 27.465 5.899 17.067) 32.870 3.818 ( 23.074 -0.719 7.707) 24.338 4.020 ( 21.367 -0.719 3.856) 21.724 4.487 ( 12.959 -4.251 -27.028) 30.274 5.191 ( 8.641 2.244 7.582) 11.713 5.365 ( 8.934 4.414 -9.604) 13.840 5.996 ( -0.141 3.387 13.013) 13.447 6.218 ( -11.713 3.367 -8.581) 14.905 6.649 ( 13.555 -4.007 2.420) 14.340 6.695 ( 15.822 -2.450 -2.614) 16.222 7.943 ( 34.791 -1.514 5.437) 35.245 8.039 ( 33.805 -2.142 -4.582) 34.182 9.061 ( -8.001 -0.807 -1.301) 8.146 9.108 ( -11.613 -0.538 -6.086) 13.123 11.153 ( 12.679 -1.016 19.285) 23.102 11.406 ( 7.856 -0.176 -4.783) 9.199 12.175 ( 12.587 0.756 -1.132) 12.661 12.234 ( 7.116 1.002 -5.747) 9.201 14.265 ( -7.754 4.038 3.428) 9.391 14.340 ( -8.553 4.447 -4.085) 10.470 15.364 ( -5.671 -0.040 25.476) 26.099 15.892 ( -3.225 1.929 -24.625) 24.911 16.233 ( -4.709 13.513 2.720) 14.566 16.333 ( -4.995 9.131 -6.747) 12.403 16.825 ( -9.515 -5.101 -0.330) 10.802 16.863 ( -8.932 -4.509 -3.669) 10.657 17.421 ( 5.104 -0.657 3.307) 6.117 17.521 ( 2.451 -0.239 -7.063) 7.480 19.618 ( -0.859 0.742 6.429) 6.528 19.715 ( 0.981 0.333 -3.636) 3.781 ======================= Grid point 913 (257/324) ======================= q-point: ( 0.29 0.06 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.030 ( 22.978 3.777 17.754) 29.282 4.246 ( 21.987 0.775 5.403) 22.655 4.414 ( 19.600 -0.330 -1.041) 19.631 4.738 ( 10.566 -5.791 -20.787) 24.027 5.189 ( -3.991 1.727 7.932) 9.046 5.356 ( -3.439 5.170 -8.295) 10.362 5.932 ( -4.597 1.806 2.344) 5.467 5.981 ( -11.306 2.735 -2.056) 11.813 7.058 ( 24.289 -2.305 3.172) 24.604 7.124 ( 25.236 -0.608 -3.526) 25.488 8.568 ( 29.394 -1.704 5.364) 29.928 8.638 ( 23.130 -2.671 -2.492) 23.417 8.834 ( -16.183 -0.559 -1.697) 16.281 8.878 ( -6.503 -1.072 -5.554) 8.618 11.389 ( 11.489 -0.370 15.356) 19.182 11.546 ( 7.020 0.651 -0.305) 7.057 12.355 ( 7.881 1.202 -0.053) 7.973 12.437 ( 12.719 -0.504 -8.363) 15.231 14.143 ( -2.196 5.073 2.561) 6.092 14.202 ( -2.975 5.391 -3.196) 6.937 15.255 ( -6.177 -0.378 25.356) 26.101 15.785 ( -7.659 1.697 -24.964) 26.167 16.040 ( -7.251 12.139 5.000) 14.998 16.166 ( -6.534 7.728 -8.811) 13.419 16.634 ( -12.601 -2.027 -0.435) 12.770 16.681 ( -11.791 -1.849 -4.687) 12.822 17.459 ( -0.833 -0.030 1.506) 1.721 17.503 ( -3.552 0.338 -3.080) 4.714 19.614 ( 0.623 0.752 8.118) 8.177 19.738 ( 1.571 0.520 -4.537) 4.829 ======================= Grid point 914 (258/324) ======================= q-point: ( 0.35 0.06 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.400 ( 17.861 1.280 15.491) 23.678 4.599 ( 16.075 2.892 1.001) 16.364 4.734 ( 13.070 -2.636 0.021) 13.333 4.937 ( 6.834 -4.763 -12.426) 14.959 5.089 ( -4.971 1.906 7.229) 8.978 5.251 ( -3.684 5.462 -8.313) 10.608 5.779 ( -8.351 1.711 1.947) 8.744 5.845 ( -3.379 -0.479 -5.327) 6.326 7.476 ( 17.876 -0.723 3.374) 18.206 7.549 ( 18.600 0.261 -4.017) 19.031 8.524 ( -14.665 -0.532 -0.128) 14.675 8.558 ( -12.329 -1.228 -3.796) 12.958 9.080 ( 21.442 -1.110 7.400) 22.710 9.209 ( 21.414 -2.058 -5.968) 22.325 11.569 ( 7.313 0.151 10.946) 13.165 11.650 ( 4.392 0.863 1.871) 4.851 12.481 ( 5.851 0.478 4.639) 7.483 12.651 ( 9.180 -0.522 -11.691) 14.874 14.118 ( 2.149 4.785 1.940) 5.593 14.161 ( 1.485 4.971 -2.335) 5.689 15.139 ( -6.249 -0.528 23.673) 24.489 15.581 ( -11.767 2.260 -16.610) 20.481 15.825 ( -9.018 7.662 6.128) 13.326 16.035 ( -3.290 3.914 -16.373) 17.153 16.402 ( -12.158 -0.200 0.232) 12.162 16.472 ( -10.527 -0.449 -6.358) 12.306 17.410 ( -3.988 1.055 0.238) 4.132 17.420 ( -3.515 0.593 -0.710) 3.635 19.624 ( 0.744 0.668 9.017) 9.072 19.762 ( 1.224 0.547 -4.962) 5.140 ======================= Grid point 915 (259/324) ======================= q-point: ( 0.41 0.06 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.662 ( 9.583 0.065 13.422) 16.492 4.793 ( 5.420 1.811 2.192) 6.120 4.915 ( 4.179 -3.707 -0.363) 5.598 4.971 ( -4.985 -0.766 1.849) 5.372 5.064 ( 4.071 1.393 -4.378) 6.138 5.156 ( -3.509 3.678 -7.950) 9.437 5.662 ( -3.345 0.310 5.148) 6.147 5.820 ( -0.305 -1.172 -11.082) 11.147 7.707 ( 6.354 -0.077 3.494) 7.252 7.786 ( 6.594 0.407 -4.475) 7.980 8.326 ( -5.780 -0.238 1.863) 6.077 8.393 ( -4.804 -0.507 -5.086) 7.014 9.369 ( 8.488 -0.034 8.170) 11.781 9.509 ( 8.561 -1.241 -6.207) 10.647 11.657 ( 2.258 0.185 8.020) 8.334 11.697 ( 1.044 0.415 2.740) 2.961 12.556 ( 2.168 0.106 7.697) 7.997 12.773 ( 3.425 -0.201 -13.098) 13.540 14.133 ( 0.512 2.266 1.452) 2.739 14.164 ( 0.031 2.517 -1.532) 2.947 15.050 ( -2.636 -0.283 20.618) 20.788 15.385 ( -5.917 1.903 -10.801) 12.461 15.647 ( -5.268 3.874 9.449) 11.491 15.983 ( -1.189 0.863 -23.796) 23.841 16.209 ( -8.339 -2.121 3.196) 9.179 16.316 ( -6.587 -2.410 -8.390) 10.935 17.343 ( -1.401 1.766 1.420) 2.665 17.371 ( -0.939 1.297 -1.462) 2.169 19.629 ( 0.063 0.329 9.427) 9.433 19.774 ( 0.250 0.289 -5.186) 5.200 ======================= Grid point 916 (260/324) ======================= q-point: (-0.53 0.06 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.667 ( -10.104 0.390 12.255) 15.888 4.749 ( -8.626 -1.633 2.710) 9.188 4.950 ( 1.712 -1.712 2.755) 3.667 4.986 ( 0.018 0.410 0.764) 0.867 5.050 ( -1.408 -0.459 -5.086) 5.297 5.118 ( 0.177 2.279 -8.581) 8.880 5.647 ( 1.290 -0.917 5.998) 6.203 5.826 ( 0.077 -0.776 -12.090) 12.115 7.715 ( -5.381 0.591 3.243) 6.310 7.787 ( -6.173 0.578 -4.087) 7.425 8.328 ( 6.036 -0.074 2.177) 6.417 8.403 ( 5.801 0.209 -5.484) 7.986 9.384 ( -6.644 1.115 8.304) 10.693 9.526 ( -7.138 0.132 -6.381) 9.575 11.654 ( -2.476 -0.047 7.539) 7.936 11.687 ( -2.046 -0.388 2.967) 3.625 12.555 ( -2.355 -0.011 8.167) 8.500 12.777 ( -3.002 0.139 -13.198) 13.536 14.079 ( -5.795 -2.054 1.449) 6.317 14.110 ( -5.145 -1.732 -1.654) 5.675 15.062 ( 3.812 0.875 20.713) 21.079 15.377 ( 5.703 1.626 -9.196) 10.942 15.600 ( 1.456 0.045 9.632) 9.742 15.960 ( -1.712 -1.332 -25.191) 25.284 16.157 ( 0.943 -6.467 3.869) 7.595 16.271 ( -0.413 -5.823 -9.399) 11.064 17.348 ( 3.170 2.174 1.509) 4.130 17.377 ( 2.545 1.775 -1.459) 3.429 19.622 ( -0.728 -0.213 9.429) 9.459 19.768 ( -0.800 -0.170 -5.284) 5.347 ======================= Grid point 917 (261/324) ======================= q-point: (-0.47 0.06 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.378 ( -19.507 -0.561 10.997) 22.400 4.512 ( -17.737 -3.747 -1.284) 18.174 4.797 ( -14.027 1.032 7.026) 15.722 4.995 ( -3.365 0.430 -3.305) 4.736 5.086 ( 1.014 -2.478 -4.072) 4.873 5.145 ( 6.468 1.943 -5.440) 8.672 5.713 ( 4.147 -3.454 4.307) 6.905 5.843 ( 1.783 -1.017 -8.996) 9.227 7.502 ( -16.177 1.462 2.438) 16.425 7.554 ( -17.695 0.771 -2.808) 17.933 8.537 ( 15.320 0.470 0.798) 15.348 8.591 ( 13.627 1.309 -4.841) 14.520 9.119 ( -20.084 2.003 7.560) 21.553 9.253 ( -20.798 1.347 -6.266) 21.763 11.566 ( -6.858 -0.017 9.635) 11.827 11.626 ( -4.795 -1.017 2.628) 5.561 12.471 ( -6.559 -0.309 6.038) 8.921 12.661 ( -9.111 0.288 -12.214) 15.241 13.990 ( -4.835 -5.348 1.705) 7.408 14.030 ( -4.418 -5.376 -2.299) 7.328 15.155 ( 6.019 0.968 23.691) 24.463 15.519 ( 7.701 -2.467 -8.532) 11.755 15.671 ( 3.368 -4.848 5.356) 7.970 15.956 ( 0.598 -2.636 -22.741) 22.902 16.317 ( 10.978 -7.247 -0.045) 13.154 16.383 ( 8.072 -7.403 -6.833) 12.909 17.422 ( 5.329 2.036 0.634) 5.740 17.436 ( 4.621 1.909 -0.789) 5.062 19.607 ( -1.165 -0.716 9.064) 9.166 19.748 ( -1.488 -0.564 -5.241) 5.478 ======================= Grid point 918 (262/324) ======================= q-point: (-0.41 0.06 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.965 ( -24.966 -1.614 12.027) 27.759 4.153 ( -22.856 -4.810 -5.464) 23.987 4.480 ( -17.978 2.616 14.248) 23.088 4.832 ( -11.439 0.866 -16.909) 20.433 5.153 ( 2.607 -1.284 3.572) 4.605 5.245 ( 3.186 -1.645 -5.028) 6.175 5.814 ( 1.986 -6.837 4.449) 8.395 5.926 ( 6.373 -2.968 -6.613) 9.652 7.127 ( -21.207 3.005 1.786) 21.493 7.161 ( -21.159 2.837 -1.607) 21.409 8.624 ( -28.868 2.698 5.954) 29.599 8.713 ( -23.478 3.192 -3.545) 23.958 8.852 ( 16.763 0.852 -1.085) 16.820 8.906 ( 7.431 1.042 -6.093) 9.666 11.402 ( -10.187 0.704 13.779) 17.150 11.525 ( -6.391 -1.001 1.205) 6.580 12.325 ( -9.041 -1.131 1.809) 9.289 12.444 ( -13.561 -0.019 -9.710) 16.679 13.991 ( 1.373 -6.955 2.047) 7.379 14.041 ( 1.851 -7.308 -2.850) 8.060 15.261 ( 5.464 0.049 24.697) 25.294 15.669 ( 4.233 -9.177 -9.514) 13.880 15.758 ( 1.405 -9.671 4.103) 10.599 16.020 ( 4.414 -2.944 -23.130) 23.731 16.608 ( 14.738 -4.274 -1.577) 15.427 16.639 ( 14.305 -5.228 -3.230) 15.569 17.483 ( 2.141 2.021 1.345) 3.237 17.518 ( 4.241 1.648 -2.236) 5.070 19.591 ( -0.844 -1.005 8.343) 8.446 19.723 ( -1.504 -0.678 -4.981) 5.247 ======================= Grid point 919 (263/324) ======================= q-point: (-0.35 0.06 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.479 ( -27.840 -2.640 13.903) 31.231 3.731 ( -25.045 -5.288 -10.089) 27.514 4.114 ( -18.404 4.784 21.570) 28.755 4.585 ( -13.698 2.686 -23.062) 26.957 5.117 ( -10.767 -3.353 3.748) 11.883 5.221 ( -10.512 -6.339 -6.109) 13.712 5.860 ( -0.403 -7.570 12.877) 14.943 6.105 ( 9.157 -6.094 -11.268) 15.747 6.750 ( -14.126 4.500 3.972) 15.348 6.818 ( -10.351 7.099 -2.589) 12.816 7.997 ( -34.849 2.783 5.827) 35.442 8.108 ( -33.401 3.233 -5.611) 34.024 9.090 ( 7.812 1.512 -1.806) 8.159 9.128 ( 11.328 0.991 -5.554) 12.655 11.191 ( -11.100 2.041 18.235) 21.445 11.410 ( -6.005 0.139 -2.542) 6.522 12.148 ( -12.202 -1.422 -1.825) 12.419 12.198 ( -10.255 -1.940 -5.789) 11.935 14.125 ( 8.191 -7.025 2.701) 11.124 14.187 ( 8.716 -7.644 -3.443) 12.093 15.354 ( 3.986 -1.371 23.274) 23.653 15.765 ( -0.085 -9.956 -14.720) 17.771 15.868 ( 2.921 -14.416 8.597) 17.037 16.144 ( 5.914 -4.511 -21.276) 22.539 16.876 ( 11.483 -1.283 0.334) 11.560 16.929 ( 13.720 0.458 -4.118) 14.332 17.461 ( -3.520 2.614 2.942) 5.280 17.541 ( -1.379 1.602 -5.523) 5.914 19.593 ( 0.514 -1.205 7.082) 7.202 19.704 ( -0.762 -0.534 -4.302) 4.401 ======================= Grid point 920 (264/324) ======================= q-point: (-0.29 0.06 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.972 ( -27.780 -3.043 16.599) 32.504 3.294 ( -24.521 -4.874 -14.466) 28.884 3.740 ( -18.267 6.216 26.184) 32.526 4.262 ( -20.250 4.448 -24.430) 32.042 4.742 ( -29.878 -3.502 6.668) 30.813 4.917 ( -23.025 -7.398 -10.655) 26.428 5.945 ( 4.821 -6.885 20.063) 21.753 6.323 ( 8.370 -7.415 -18.203) 21.363 6.546 ( -8.600 3.440 8.682) 12.695 6.675 ( -3.920 6.427 -4.375) 8.707 7.349 ( -29.157 2.969 8.305) 30.462 7.522 ( -23.187 4.109 -9.286) 25.313 9.127 ( -3.197 1.073 2.066) 3.955 9.240 ( 0.846 0.586 -9.529) 9.584 10.971 ( -10.783 2.968 20.002) 22.916 11.285 ( -7.756 2.032 -10.194) 12.969 11.943 ( -7.980 -2.509 6.495) 10.591 12.100 ( -2.500 -2.785 -8.253) 9.061 14.369 ( 13.357 -5.872 3.545) 15.015 14.445 ( 13.765 -6.705 -3.935) 15.809 15.430 ( 2.876 -3.094 21.163) 21.581 15.809 ( -1.054 -9.517 -14.168) 17.101 16.016 ( 3.001 -14.428 8.291) 16.910 16.275 ( 4.315 -5.347 -17.744) 19.028 17.032 ( 4.844 1.843 1.699) 5.454 17.114 ( 7.688 6.324 -5.500) 11.373 17.313 ( -9.921 3.963 3.504) 11.244 17.428 ( -9.794 2.354 -9.143) 13.604 19.629 ( 2.406 -1.596 4.827) 5.625 19.703 ( 0.396 -0.308 -2.984) 3.026 ======================= Grid point 921 (265/324) ======================= q-point: (-0.24 0.06 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.493 ( -24.622 -2.207 20.055) 31.833 2.884 ( -21.678 -3.183 -16.977) 27.718 3.315 ( -25.337 5.608 20.974) 33.367 3.716 ( -34.634 4.682 -18.492) 39.539 4.173 ( -27.267 1.640 19.241) 33.413 4.599 ( -13.062 -4.048 -22.088) 25.979 5.998 ( -14.561 -5.748 13.930) 20.955 6.159 ( -26.817 -0.400 -0.704) 26.830 6.355 ( -8.758 -2.009 9.781) 13.282 6.667 ( 9.894 -5.309 -18.252) 21.429 7.067 ( 0.890 4.467 12.515) 13.318 7.313 ( 2.555 4.998 -12.413) 13.623 8.979 ( -10.875 0.957 6.688) 12.803 9.168 ( -7.213 0.307 -12.852) 14.741 10.745 ( -11.718 2.423 17.958) 21.579 11.069 ( -13.607 1.887 -14.622) 20.063 11.921 ( 3.476 -2.236 12.422) 13.092 12.130 ( 3.782 -1.870 -9.099) 10.029 14.679 ( 16.183 -4.085 4.365) 17.252 14.766 ( 16.384 -5.167 -4.261) 17.700 15.502 ( 2.489 -4.444 19.561) 20.213 15.843 ( -0.989 -7.598 -12.302) 14.493 16.134 ( 0.862 -10.942 7.250) 13.154 16.347 ( -0.484 -4.993 -12.135) 13.131 16.988 ( -11.632 0.743 0.161) 11.657 17.082 ( -6.613 8.538 -1.297) 10.877 17.149 ( -10.120 6.677 -3.798) 12.705 17.158 ( -4.848 7.697 -10.473) 13.872 19.693 ( 2.564 -1.766 1.851) 3.622 19.727 ( 2.461 -0.559 -1.676) 3.030 ======================= Grid point 922 (266/324) ======================= q-point: (-0.18 0.06 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.093 ( -18.716 -0.585 23.840) 30.315 2.510 ( -21.678 0.683 -6.728) 22.709 2.707 ( -31.996 4.814 0.269) 32.357 2.991 ( -36.600 6.739 -17.702) 41.210 3.799 ( -10.743 5.053 36.170) 38.068 4.459 ( -4.546 -1.881 -29.208) 29.620 5.477 ( -32.616 -1.914 4.911) 33.039 5.562 ( -32.863 -0.651 -3.560) 33.062 6.467 ( 8.741 -8.631 23.171) 26.226 6.903 ( 9.465 -7.358 -20.505) 23.753 7.151 ( 8.132 4.007 13.335) 16.124 7.424 ( 9.933 5.256 -13.774) 17.777 8.755 ( -11.100 1.469 10.651) 15.454 9.008 ( -8.525 0.562 -15.387) 17.600 10.511 ( -11.748 1.209 14.866) 18.986 10.790 ( -14.472 0.561 -13.424) 19.747 12.050 ( 8.020 -1.166 11.705) 14.237 12.239 ( 6.294 -0.765 -7.990) 10.200 15.009 ( 16.485 -2.598 4.954) 17.408 15.105 ( 16.413 -3.979 -4.564) 17.494 15.574 ( 2.091 -4.309 17.962) 18.590 15.838 ( -3.454 0.092 -6.540) 7.397 16.144 ( -5.802 -5.116 4.909) 9.161 16.316 ( -5.533 -6.709 -7.214) 11.299 16.703 ( -19.127 0.743 -5.662) 19.961 16.724 ( -17.263 4.229 -8.168) 19.561 16.976 ( -5.178 7.768 2.391) 9.636 17.080 ( -0.669 12.742 -9.821) 16.101 19.730 ( 1.175 -0.600 2.449) 2.782 19.807 ( 4.253 -2.243 -4.807) 6.799 ======================= Grid point 923 (267/324) ======================= q-point: (-0.12 0.06 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.779 ( -18.377 2.134 24.275) 30.521 1.948 ( -22.275 9.358 23.036) 33.383 2.245 ( -23.167 3.796 -22.952) 32.831 2.436 ( -12.529 5.003 -24.454) 27.928 3.658 ( -2.515 4.679 43.842) 44.163 4.433 ( 0.577 -1.104 -32.517) 32.541 4.949 ( -22.891 -1.290 3.769) 23.235 5.039 ( -21.640 -1.287 -4.217) 22.085 6.678 ( 6.704 -10.351 22.268) 25.454 7.082 ( 4.966 -6.473 -14.680) 16.795 7.275 ( 6.337 2.762 9.787) 11.982 7.560 ( 7.024 5.727 -15.101) 17.612 8.579 ( -5.994 2.188 12.935) 14.423 8.874 ( -4.739 0.986 -17.287) 17.952 10.315 ( -7.948 0.255 12.768) 15.042 10.553 ( -9.901 -0.090 -11.301) 15.025 12.200 ( 6.486 -0.808 9.210) 11.294 12.350 ( 4.588 -0.248 -6.414) 7.890 15.305 ( 12.665 -2.040 4.735) 13.674 15.394 ( 9.911 -2.974 -4.307) 11.208 15.616 ( 1.112 -0.335 11.063) 11.123 15.682 ( -8.541 7.965 1.551) 11.781 16.010 ( -7.753 0.207 7.674) 10.911 16.255 ( -4.861 -6.668 -8.242) 11.663 16.345 ( -14.037 -0.233 2.065) 14.190 16.472 ( -10.849 -0.035 -10.814) 15.318 16.844 ( -3.588 5.754 3.632) 7.692 17.001 ( 0.051 11.359 -14.022) 18.046 19.751 ( 0.730 -0.377 4.325) 4.402 19.893 ( 3.001 -2.707 -9.659) 10.471 ======================= Grid point 924 (268/324) ======================= q-point: (-0.06 0.06 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.461 ( -0.000 8.217 24.494) 25.835 1.763 ( -0.000 3.481 29.806) 30.008 1.951 ( -0.000 5.796 -25.630) 26.277 2.324 ( -0.000 1.800 -26.332) 26.393 3.616 ( -0.000 3.274 46.922) 47.036 4.466 ( 0.000 -0.707 -38.648) 38.654 4.712 ( 0.000 -0.839 7.985) 8.029 4.833 ( 0.000 -1.083 -4.539) 4.666 6.805 ( 0.000 -8.445 19.965) 21.677 7.166 ( 0.000 -6.072 -9.264) 11.077 7.322 ( -0.000 3.411 5.974) 6.879 7.596 ( -0.000 4.621 -14.627) 15.339 8.510 ( -0.000 2.069 13.759) 13.914 8.825 ( -0.000 0.939 -18.375) 18.399 10.236 ( 0.000 -0.091 12.010) 12.010 10.454 ( 0.000 -0.114 -9.967) 9.968 12.271 ( 0.000 -0.697 7.357) 7.390 12.397 ( 0.000 -0.125 -5.517) 5.519 15.422 ( -0.000 1.845 1.048) 2.122 15.443 ( -0.000 1.884 -1.129) 2.196 15.555 ( -0.000 3.055 8.256) 8.803 15.678 ( 0.000 -1.799 -2.305) 2.924 15.951 ( 0.000 -0.149 21.327) 21.327 16.190 ( -0.000 0.624 0.709) 0.944 16.203 ( -0.000 0.540 -0.668) 0.859 16.387 ( 0.000 -5.151 -16.298) 17.093 16.789 ( -0.000 2.037 2.301) 3.073 16.940 ( -0.000 9.581 -15.005) 17.803 19.760 ( 0.000 -0.264 5.311) 5.318 19.939 ( 0.000 -2.216 -12.559) 12.753 ======================= Grid point 927 (269/324) ======================= q-point: ( 0.12 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.108 ( 30.098 0.000 16.621) 34.382 3.384 ( 22.808 0.000 4.781) 23.303 3.624 ( 19.498 0.000 11.746) 22.763 4.165 ( 19.410 0.000 -27.404) 33.582 4.791 ( 34.415 0.000 10.341) 35.935 5.047 ( 25.396 0.000 -15.189) 29.591 6.069 ( -6.049 -0.000 20.684) 21.550 6.447 ( -2.077 -0.000 -15.635) 15.772 6.518 ( 1.800 0.000 2.454) 3.043 6.529 ( -2.870 -0.000 -0.751) 2.967 7.301 ( 29.532 0.000 6.672) 30.277 7.432 ( 24.918 0.000 -6.773) 25.822 9.107 ( 2.859 0.000 2.579) 3.850 9.229 ( -1.316 -0.000 -10.038) 10.124 10.913 ( 11.437 0.000 20.509) 23.483 11.243 ( 9.269 0.000 -11.648) 14.886 11.990 ( 6.747 0.000 7.328) 9.961 12.156 ( 2.495 0.000 -8.547) 8.903 14.489 ( -12.125 -0.000 4.463) 12.920 14.583 ( -12.832 -0.000 -5.016) 13.777 15.472 ( -5.639 -0.000 25.327) 25.947 15.952 ( -0.795 -0.000 -18.951) 18.968 16.450 ( -2.308 -0.000 -4.149) 4.748 16.484 ( -0.050 -0.000 -4.290) 4.290 16.864 ( -3.393 -0.000 1.309) 3.637 16.910 ( -2.787 -0.000 -3.795) 4.709 17.250 ( 12.071 0.000 3.293) 12.512 17.384 ( 11.745 0.000 -10.768) 15.934 19.665 ( -3.252 -0.000 3.181) 4.549 19.709 ( -0.044 -0.000 -1.787) 1.788 ======================= Grid point 928 (270/324) ======================= q-point: ( 0.18 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.656 ( 28.549 4.553 15.031) 32.584 3.784 ( 20.113 -3.543 22.143) 30.123 4.028 ( 23.371 0.996 -7.298) 24.504 4.448 ( 12.023 -1.891 -28.190) 30.705 5.210 ( 8.353 0.789 8.386) 11.863 5.401 ( 9.051 1.577 -10.749) 14.140 6.022 ( -0.794 1.068 13.501) 13.567 6.248 ( -12.037 1.361 -8.559) 14.832 6.613 ( 13.737 -1.691 3.458) 14.267 6.677 ( 17.027 -0.684 -3.744) 17.447 7.930 ( 34.733 -0.513 5.269) 35.135 8.021 ( 33.883 -0.789 -4.187) 34.150 9.055 ( -8.067 -0.281 -1.188) 8.159 9.104 ( -11.693 -0.188 -6.203) 13.238 11.145 ( 13.031 -0.349 19.494) 23.451 11.404 ( 8.298 -0.067 -5.251) 9.820 12.182 ( 12.660 0.262 -0.984) 12.701 12.242 ( 6.425 0.346 -5.746) 8.627 14.298 ( -7.635 1.422 3.599) 8.560 14.377 ( -8.498 1.576 -4.290) 9.649 15.363 ( -5.907 -0.048 25.788) 26.456 15.905 ( -3.892 0.493 -26.455) 26.744 16.360 ( -5.232 6.573 1.459) 8.527 16.419 ( -5.555 4.266 -3.185) 7.694 16.766 ( -8.129 -3.454 0.344) 8.839 16.813 ( -8.317 -2.837 -4.865) 10.044 17.417 ( 5.494 -0.132 3.292) 6.406 17.519 ( 2.846 -0.019 -7.369) 7.899 19.624 ( -0.954 0.266 6.267) 6.345 19.718 ( 1.033 0.120 -3.473) 3.625 ======================= Grid point 929 (271/324) ======================= q-point: ( 0.24 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.079 ( 20.851 4.215 21.130) 29.983 4.225 ( 22.938 -3.547 13.082) 26.644 4.438 ( 20.613 3.415 -11.309) 23.759 4.669 ( 9.703 -5.204 -21.724) 24.355 5.207 ( -4.178 1.089 9.254) 10.212 5.408 ( -3.455 3.111 -10.687) 11.654 5.940 ( -6.817 0.022 4.450) 8.141 6.012 ( -11.433 2.090 -2.760) 11.946 7.036 ( 25.750 -1.236 4.009) 26.090 7.119 ( 26.062 -0.178 -4.408) 26.433 8.553 ( 29.893 -0.808 4.925) 30.307 8.612 ( 23.063 -1.596 -1.940) 23.200 8.829 ( -16.107 -0.292 -1.948) 16.227 8.868 ( -6.516 -0.638 -5.265) 8.401 11.386 ( 11.873 -0.185 15.795) 19.761 11.552 ( 7.243 0.348 -0.721) 7.288 12.367 ( 7.305 0.825 -0.959) 7.414 12.431 ( 12.698 -0.466 -7.621) 14.817 14.191 ( -2.413 2.776 2.729) 4.580 14.253 ( -3.269 2.980 -3.377) 5.565 15.251 ( -6.267 -0.268 25.455) 26.216 15.797 ( -7.707 0.547 -27.490) 28.555 16.174 ( -9.344 9.676 3.630) 13.932 16.246 ( -8.867 4.736 -3.542) 10.658 16.602 ( -11.242 -2.568 -1.002) 11.574 16.645 ( -11.329 -3.662 -5.442) 13.091 17.461 ( -0.271 0.283 1.565) 1.613 17.509 ( -3.060 0.517 -3.415) 4.615 19.621 ( 0.554 0.417 8.050) 8.080 19.743 ( 1.594 0.290 -4.398) 4.687 ======================= Grid point 930 (272/324) ======================= q-point: ( 0.29 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.417 ( 16.742 1.404 17.483) 24.247 4.617 ( 16.624 -0.160 7.658) 18.304 4.722 ( 10.946 0.960 -8.806) 14.081 4.878 ( 8.836 -4.799 -12.361) 15.934 5.112 ( -4.216 1.783 8.497) 9.652 5.308 ( -4.418 3.941 -10.495) 12.050 5.790 ( -8.737 0.210 1.799) 8.923 5.842 ( -4.944 0.002 -4.027) 6.376 7.470 ( 18.470 -0.386 3.895) 18.880 7.553 ( 18.854 0.371 -4.566) 19.403 8.518 ( -14.463 -0.383 -0.463) 14.476 8.546 ( -11.891 -0.841 -3.418) 12.401 9.070 ( 22.170 -0.514 6.729) 23.175 9.186 ( 21.539 -1.691 -5.273) 22.240 11.570 ( 7.473 0.126 11.403) 13.634 11.659 ( 4.258 0.583 1.641) 4.600 12.486 ( 5.504 0.381 3.944) 6.782 12.645 ( 9.326 -0.429 -11.340) 14.689 14.167 ( 1.183 3.283 2.064) 4.054 14.213 ( 0.517 3.494 -2.488) 4.320 15.133 ( -6.316 -0.469 23.899) 24.724 15.603 ( -11.642 1.430 -19.728) 22.952 15.918 ( -11.348 7.512 5.459) 14.663 16.081 ( -5.501 3.420 -11.309) 13.032 16.386 ( -12.865 -1.933 -0.984) 13.047 16.447 ( -11.753 -3.451 -6.553) 13.892 17.426 ( -2.697 1.348 -0.074) 3.016 17.431 ( -3.414 1.166 -0.606) 3.658 19.631 ( 0.601 0.467 9.007) 9.039 19.768 ( 1.138 0.385 -4.858) 5.004 ======================= Grid point 931 (273/324) ======================= q-point: ( 0.35 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.665 ( 9.300 0.397 13.783) 16.632 4.812 ( 4.201 1.332 3.276) 5.492 4.871 ( 4.526 -3.381 -0.960) 5.730 4.961 ( -3.168 -0.771 -1.560) 3.614 5.086 ( 3.356 1.934 -1.595) 4.189 5.197 ( -4.822 2.899 -8.010) 9.788 5.664 ( -4.018 0.213 4.200) 5.816 5.803 ( -0.503 -1.600 -10.222) 10.359 7.707 ( 6.765 0.088 3.817) 7.768 7.792 ( 6.754 0.574 -4.758) 8.282 8.323 ( -5.719 -0.267 1.717) 5.977 8.387 ( -4.440 -0.467 -4.932) 6.652 9.372 ( 9.358 0.439 7.175) 11.801 9.492 ( 9.140 -1.436 -5.254) 10.640 11.659 ( 2.161 0.180 8.199) 8.481 11.701 ( 0.630 0.330 2.682) 2.774 12.558 ( 2.057 0.108 7.426) 7.706 12.771 ( 3.662 -0.174 -13.004) 13.511 14.158 ( -1.802 1.800 1.622) 3.020 14.193 ( -2.004 2.250 -1.838) 3.529 15.047 ( -2.047 -0.251 21.486) 21.585 15.412 ( -5.333 2.496 -12.414) 13.740 15.703 ( -6.597 5.432 8.431) 12.005 15.993 ( -3.060 0.608 -18.902) 19.157 16.167 ( -11.697 -4.399 1.396) 12.574 16.269 ( -9.264 -5.132 -9.530) 14.247 17.370 ( -0.737 2.450 1.009) 2.750 17.392 ( -0.306 1.878 -1.190) 2.244 19.633 ( -0.204 0.290 9.436) 9.442 19.777 ( 0.029 0.259 -5.139) 5.146 ======================= Grid point 932 (274/324) ======================= q-point: (-0.59 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.672 ( -10.168 0.405 11.676) 15.488 4.732 ( -10.520 -1.256 3.190) 11.065 4.929 ( -0.719 -1.652 0.739) 1.947 4.968 ( 3.510 -2.631 -0.547) 4.420 5.067 ( -3.196 2.791 -2.251) 4.804 5.150 ( 1.215 2.469 -7.559) 8.044 5.636 ( 0.278 -0.841 5.597) 5.666 5.811 ( -0.028 -1.548 -12.133) 12.232 7.723 ( -4.887 0.735 3.363) 5.978 7.796 ( -5.982 0.851 -4.041) 7.269 8.327 ( 6.187 -0.203 2.292) 6.601 8.404 ( 6.272 0.019 -5.672) 8.457 9.399 ( -5.946 1.405 7.387) 9.587 9.524 ( -6.470 -0.412 -5.540) 8.528 11.654 ( -2.553 0.026 7.296) 7.730 11.683 ( -2.507 -0.305 3.113) 4.009 12.555 ( -2.398 0.033 8.290) 8.630 12.779 ( -2.880 0.087 -13.180) 13.491 14.057 ( -8.081 -1.577 1.602) 8.388 14.093 ( -7.611 -1.127 -2.008) 7.952 15.075 ( 4.687 1.231 21.967) 22.495 15.410 ( 5.863 3.754 -9.365) 11.669 15.613 ( -0.942 2.068 8.519) 8.817 15.938 ( -3.836 -2.591 -21.608) 22.098 16.061 ( -1.929 -9.268 4.126) 10.327 16.191 ( -2.304 -6.992 -12.929) 14.878 17.380 ( 3.453 2.890 1.175) 4.654 17.403 ( 2.878 2.356 -1.190) 3.905 19.620 ( -1.042 -0.126 9.440) 9.499 19.767 ( -1.059 -0.089 -5.322) 5.428 ======================= Grid point 933 (275/324) ======================= q-point: (-0.53 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.373 ( -19.979 -0.280 8.624) 21.763 4.469 ( -18.520 -3.345 -0.343) 18.823 4.794 ( -13.562 -1.257 7.674) 15.633 4.991 ( -7.224 -2.232 -7.757) 10.832 5.056 ( 5.292 0.114 5.205) 7.423 5.196 ( 6.051 4.997 -9.230) 12.115 5.670 ( 1.777 -3.544 5.231) 6.564 5.825 ( 0.746 -2.055 -10.361) 10.589 7.522 ( -15.254 1.700 2.161) 15.500 7.566 ( -17.177 1.119 -2.314) 17.369 8.541 ( 15.708 0.322 1.231) 15.760 8.605 ( 14.331 1.031 -5.356) 15.334 9.143 ( -19.715 2.031 6.904) 20.987 9.265 ( -20.411 0.710 -5.687) 21.200 11.567 ( -6.610 0.095 8.932) 11.112 11.615 ( -5.027 -0.908 3.092) 5.971 12.468 ( -6.811 -0.148 6.461) 9.390 12.664 ( -9.218 0.110 -12.244) 15.327 13.930 ( -6.173 -4.565 1.636) 7.850 13.971 ( -5.975 -4.522 -2.392) 7.866 15.170 ( 5.736 1.628 24.198) 24.922 15.494 ( 2.419 -1.650 -4.117) 5.052 15.623 ( 0.724 -3.171 3.341) 4.663 15.927 ( 1.736 -2.312 -23.626) 23.803 16.215 ( 11.549 -9.409 0.031) 14.896 16.284 ( 7.578 -8.580 -8.676) 14.364 17.451 ( 5.257 2.676 0.511) 5.921 17.463 ( 4.747 2.382 -0.643) 5.349 19.599 ( -1.394 -0.597 9.100) 9.225 19.742 ( -1.637 -0.457 -5.377) 5.640 ======================= Grid point 934 (276/324) ======================= q-point: (-0.47 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.952 ( -24.969 -0.597 9.225) 26.625 4.099 ( -22.995 -4.120 -4.763) 23.842 4.499 ( -17.376 0.384 15.100) 23.023 4.819 ( -11.895 -2.773 -13.900) 18.503 5.140 ( 2.358 -0.509 4.968) 5.523 5.260 ( 2.025 3.831 -7.992) 9.091 5.727 ( 0.001 -7.527 6.194) 9.748 5.882 ( 3.740 -4.473 -9.136) 10.839 7.162 ( -20.528 2.827 2.219) 20.841 7.202 ( -18.019 3.712 -1.696) 18.475 8.656 ( -28.950 2.511 5.957) 29.663 8.749 ( -24.434 2.775 -3.876) 24.895 8.863 ( 17.168 0.852 -0.869) 17.211 8.917 ( 9.036 0.737 -6.123) 10.940 11.411 ( -9.424 0.815 12.775) 15.896 11.513 ( -6.139 -1.034 2.180) 6.596 12.313 ( -9.620 -0.869 2.371) 9.946 12.442 ( -14.121 -0.286 -10.004) 17.308 13.910 ( 0.892 -6.405 1.761) 6.702 13.956 ( 1.163 -6.743 -2.721) 7.363 15.259 ( 4.059 -0.394 23.302) 23.656 15.544 ( -0.229 -10.797 -1.201) 10.866 15.658 ( -0.081 -7.342 2.128) 7.644 16.004 ( 5.119 -0.032 -27.880) 28.346 16.542 ( 15.402 -6.539 -2.266) 16.886 16.564 ( 17.054 -6.923 -2.598) 18.588 17.511 ( 2.406 2.453 1.223) 3.648 17.541 ( 4.168 2.132 -1.909) 5.056 19.580 ( -0.961 -0.923 8.474) 8.578 19.715 ( -1.473 -0.611 -5.222) 5.460 ======================= Grid point 935 (277/324) ======================= q-point: (-0.41 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.462 ( -27.237 -0.302 11.203) 29.452 3.673 ( -24.653 -4.109 -9.577) 26.765 4.162 ( -17.233 2.999 22.003) 28.109 4.598 ( -12.909 -0.852 -19.669) 23.542 5.079 ( -12.409 -3.021 2.120) 12.946 5.161 ( -13.622 -2.823 -6.052) 15.171 5.762 ( -0.236 -8.639 13.133) 15.721 6.023 ( 7.187 -7.628 -12.807) 16.548 6.807 ( -12.928 4.950 5.898) 15.047 6.907 ( -8.750 7.463 -3.975) 12.168 8.031 ( -34.757 2.712 5.975) 35.371 8.146 ( -33.095 2.981 -5.888) 33.747 9.109 ( 7.761 1.608 -2.134) 8.208 9.140 ( 11.214 1.047 -5.190) 12.401 11.217 ( -10.032 2.303 17.406) 20.221 11.411 ( -4.907 -0.047 -0.887) 4.986 12.130 ( -11.914 -1.489 -2.326) 12.229 12.173 ( -12.382 -2.101 -5.842) 13.851 14.040 ( 8.422 -6.973 2.219) 11.157 14.095 ( 8.787 -7.616 -3.144) 12.046 15.325 ( 1.848 -3.557 19.942) 20.341 15.613 ( -1.160 -14.587 -7.199) 16.308 15.729 ( 3.010 -8.822 9.413) 13.247 16.111 ( 5.729 -1.370 -26.492) 27.139 16.845 ( 13.041 -3.621 1.718) 13.643 16.921 ( 16.678 -1.715 -5.503) 17.646 17.495 ( -2.799 2.967 2.599) 4.837 17.564 ( -1.044 2.052 -4.603) 5.147 19.579 ( 0.351 -1.159 7.462) 7.560 19.698 ( -0.624 -0.506 -4.690) 4.759 ======================= Grid point 936 (278/324) ======================= q-point: (-0.35 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.955 ( -26.344 0.440 14.254) 29.956 3.243 ( -23.314 -3.344 -14.251) 27.529 3.817 ( -17.195 6.306 26.289) 32.040 4.315 ( -18.613 4.026 -22.545) 29.511 4.692 ( -29.107 -4.638 3.848) 29.724 4.816 ( -23.427 -9.146 -8.100) 26.421 5.851 ( 3.745 -8.567 19.403) 21.538 6.221 ( 7.131 -9.532 -17.969) 21.555 6.594 ( -10.343 4.521 10.184) 15.203 6.757 ( -6.069 7.090 -6.350) 11.289 7.390 ( -27.741 3.847 8.790) 29.353 7.572 ( -22.125 4.168 -9.773) 24.544 9.141 ( -3.385 1.279 1.740) 4.016 9.248 ( 0.619 0.755 -9.214) 9.265 11.010 ( -10.430 3.482 19.588) 22.463 11.310 ( -6.692 2.173 -8.970) 11.400 11.909 ( -8.976 -3.083 5.977) 11.216 12.064 ( -2.445 -3.141 -8.278) 9.185 14.295 ( 14.109 -6.333 2.944) 15.743 14.360 ( 14.392 -7.161 -3.475) 16.446 15.379 ( 1.180 -5.509 17.151) 18.052 15.669 ( -1.565 -13.555 -11.388) 17.773 15.869 ( 5.287 -9.748 13.064) 17.136 16.225 ( 4.581 -3.169 -22.258) 22.945 17.042 ( 6.042 0.107 4.535) 7.555 17.176 ( 10.734 3.991 -8.195) 14.082 17.364 ( -8.555 4.330 3.046) 10.060 17.459 ( -8.855 2.853 -7.606) 12.016 19.610 ( 2.056 -1.584 5.711) 6.273 19.699 ( 0.517 -0.307 -3.610) 3.659 ======================= Grid point 937 (279/324) ======================= q-point: (-0.29 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.488 ( -22.387 1.803 18.071) 28.827 2.853 ( -19.654 -1.504 -17.730) 26.512 3.396 ( -24.869 7.916 21.610) 33.884 3.781 ( -33.716 6.130 -17.281) 38.379 4.177 ( -24.250 -1.237 15.671) 28.900 4.534 ( -11.451 -6.831 -18.889) 23.121 5.914 ( -10.209 -8.444 16.637) 21.268 6.139 ( -26.378 -3.062 -3.194) 26.746 6.333 ( -14.154 -1.489 8.026) 16.339 6.601 ( 3.328 -5.173 -16.060) 17.197 7.134 ( 2.002 6.632 11.686) 13.585 7.378 ( 3.110 5.708 -12.894) 14.440 8.992 ( -10.623 1.213 6.218) 12.368 9.173 ( -7.163 0.495 -12.459) 14.380 10.778 ( -12.338 2.892 17.593) 21.682 11.094 ( -14.388 2.151 -14.236) 20.355 11.890 ( 4.084 -2.898 12.879) 13.819 12.105 ( 4.510 -2.223 -9.320) 10.590 14.625 ( 17.172 -4.767 3.723) 18.206 14.699 ( 17.151 -5.813 -3.488) 18.443 15.441 ( 1.860 -5.786 15.662) 16.800 15.726 ( -0.214 -11.434 -12.110) 16.657 16.019 ( 4.442 -8.261 11.682) 14.982 16.298 ( 0.394 -3.369 -15.404) 15.773 17.005 ( -11.201 2.205 4.363) 12.221 17.175 ( -9.380 6.796 -4.022) 12.261 17.203 ( -11.482 4.554 -4.567) 13.169 17.274 ( 3.749 9.298 -8.787) 13.332 19.670 ( 2.792 -2.084 3.193) 4.726 19.722 ( 1.772 -0.392 -2.322) 2.947 ======================= Grid point 938 (280/324) ======================= q-point: (-0.24 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.109 ( -16.126 3.740 21.965) 27.505 2.523 ( -16.538 1.791 -14.678) 22.185 2.788 ( -32.113 8.467 8.490) 34.279 3.080 ( -34.360 7.968 -16.589) 38.978 3.858 ( -9.448 4.394 31.003) 32.707 4.428 ( -3.875 -3.372 -25.413) 25.927 5.449 ( -32.284 -2.731 6.234) 32.993 5.550 ( -33.433 -1.449 -3.930) 33.694 6.346 ( 5.184 -11.227 23.578) 26.624 6.793 ( 7.774 -10.901 -21.649) 25.455 7.213 ( 8.118 6.296 13.563) 17.014 7.495 ( 10.709 6.291 -14.875) 19.378 8.775 ( -10.449 1.830 9.967) 14.556 9.016 ( -8.159 0.746 -14.843) 16.954 10.527 ( -12.489 1.458 14.456) 19.159 10.797 ( -15.217 0.643 -12.915) 19.969 12.033 ( 8.407 -1.620 12.120) 14.839 12.229 ( 6.825 -0.963 -8.273) 10.768 14.976 ( 17.406 -2.765 4.235) 18.126 15.053 ( 16.844 -4.451 -3.128) 17.701 15.519 ( 3.004 -4.737 15.391) 16.381 15.796 ( 1.481 -6.592 -11.299) 13.165 16.104 ( -0.327 -2.544 8.001) 8.402 16.253 ( -7.039 -3.354 -5.145) 9.342 16.709 ( -16.834 0.984 -3.064) 17.139 16.786 ( -20.864 5.863 -10.115) 23.917 17.075 ( -4.656 8.313 5.417) 10.960 17.236 ( -0.024 12.848 -12.434) 17.879 19.720 ( 1.467 -1.093 2.250) 2.900 19.779 ( 3.352 -2.229 -3.335) 5.228 ======================= Grid point 939 (281/324) ======================= q-point: (-0.18 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.833 ( -11.133 7.006 23.673) 27.082 2.075 ( -22.894 11.655 19.289) 32.125 2.307 ( -16.672 6.544 -21.928) 28.312 2.513 ( -16.488 7.735 -22.040) 28.591 3.727 ( -2.198 6.403 39.041) 39.624 4.416 ( 0.821 -1.749 -28.966) 29.030 4.928 ( -22.841 -2.199 4.338) 23.353 5.020 ( -22.106 -1.895 -4.243) 22.589 6.525 ( 4.536 -14.766 24.394) 28.874 6.978 ( 4.462 -11.192 -20.932) 24.152 7.317 ( 5.834 4.774 14.711) 16.530 7.641 ( 7.867 7.128 -17.373) 20.360 8.610 ( -5.249 2.857 11.919) 13.333 8.888 ( -4.398 1.264 -16.571) 17.192 10.318 ( -8.458 0.299 12.530) 15.120 10.551 ( -10.098 -0.148 -11.010) 14.941 12.187 ( 6.376 -1.207 9.801) 11.754 12.346 ( 4.739 -0.330 -6.797) 8.292 15.289 ( 14.323 -0.545 3.846) 14.841 15.359 ( 12.368 -2.816 -2.739) 12.977 15.597 ( 2.378 -2.491 15.238) 15.622 15.781 ( -6.391 7.424 -2.610) 10.138 16.015 ( -4.801 0.563 3.249) 5.824 16.175 ( -3.542 -6.020 -7.528) 10.270 16.353 ( -15.319 1.812 0.812) 15.447 16.468 ( -13.350 -0.439 -10.183) 16.796 16.932 ( -4.217 8.460 7.537) 12.089 17.151 ( -0.200 13.176 -15.771) 20.552 19.745 ( 0.759 -0.585 3.548) 3.675 19.855 ( 2.492 -3.522 -7.057) 8.271 ======================= Grid point 940 (282/324) ======================= q-point: (-0.12 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.598 ( -0.000 14.191 22.103) 26.267 1.826 ( -0.000 6.978 28.071) 28.926 2.050 ( -0.000 10.353 -23.972) 26.112 2.358 ( -0.000 3.876 -25.322) 25.617 3.672 ( -0.000 6.029 43.123) 43.542 4.455 ( 0.000 -1.171 -35.463) 35.482 4.697 ( 0.000 -1.684 7.735) 7.916 4.814 ( 0.000 -2.049 -4.392) 4.846 6.663 ( 0.000 -14.747 22.874) 27.216 7.082 ( 0.000 -8.978 -17.159) 19.366 7.352 ( -0.000 2.901 12.583) 12.913 7.673 ( -0.000 7.551 -17.536) 19.092 8.544 ( -0.000 3.347 12.570) 13.008 8.840 ( -0.000 1.470 -17.650) 17.711 10.235 ( 0.000 -0.173 11.993) 11.995 10.452 ( 0.000 -0.213 -9.945) 9.948 12.260 ( 0.000 -1.208 8.068) 8.158 12.394 ( 0.000 -0.207 -5.917) 5.920 15.454 ( -0.000 3.522 1.087) 3.686 15.476 ( -0.000 3.597 -1.159) 3.779 15.604 ( -0.000 4.417 7.627) 8.813 15.643 ( 0.000 -3.704 6.594) 7.563 15.959 ( -0.000 1.556 9.143) 9.275 16.200 ( -0.000 1.088 0.627) 1.256 16.213 ( -0.000 0.927 -0.600) 1.104 16.306 ( 0.000 -7.896 -18.115) 19.761 16.845 ( -0.000 6.776 7.596) 10.180 17.074 ( -0.000 12.290 -16.685) 20.722 19.756 ( 0.000 -0.465 4.532) 4.556 19.902 ( 0.000 -3.681 -9.937) 10.597 ======================= Grid point 945 (283/324) ======================= q-point: ( 0.18 0.18 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.114 ( 17.935 0.000 25.585) 31.245 4.192 ( 25.548 0.000 10.836) 27.751 4.466 ( 21.774 0.000 -12.613) 25.163 4.632 ( 8.466 0.000 -22.638) 24.170 5.214 ( -4.222 -0.000 9.677) 10.558 5.427 ( -3.453 -0.000 -11.704) 12.202 5.939 ( -7.508 -0.000 5.568) 9.347 6.025 ( -11.595 -0.000 -3.238) 12.039 7.029 ( 26.300 0.000 4.341) 26.656 7.118 ( 26.334 0.000 -4.731) 26.756 8.548 ( 30.179 0.000 4.719) 30.546 8.602 ( 22.961 0.000 -1.699) 23.024 8.828 ( -16.104 -0.000 -2.045) 16.233 8.864 ( -6.531 -0.000 -5.148) 8.316 11.385 ( 12.007 0.000 15.945) 19.960 11.554 ( 7.325 0.000 -0.862) 7.375 12.372 ( 6.975 0.000 -1.348) 7.104 12.428 ( 12.819 0.000 -7.290) 14.747 14.208 ( -2.485 -0.000 2.790) 3.736 14.271 ( -3.364 -0.000 -3.455) 4.822 15.249 ( -6.299 -0.000 25.496) 26.263 15.800 ( -7.689 -0.000 -28.204) 29.233 16.255 ( -7.924 -0.000 1.407) 8.048 16.259 ( -12.422 -0.000 0.819) 12.449 16.587 ( -9.941 -0.000 -1.627) 10.074 16.615 ( -11.490 -0.000 -6.218) 13.065 17.463 ( -0.066 -0.000 1.591) 1.592 17.513 ( -2.854 -0.000 -3.541) 4.548 19.623 ( 0.529 0.000 8.026) 8.044 19.745 ( 1.603 0.000 -4.349) 4.635 ======================= Grid point 946 (284/324) ======================= q-point: ( 0.24 0.18 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.431 ( 15.776 0.707 19.040) 24.737 4.606 ( 17.503 -0.843 9.338) 19.856 4.748 ( 6.919 2.433 -12.461) 14.459 4.827 ( 12.800 -3.244 -11.780) 17.696 5.128 ( -3.897 0.675 8.901) 9.740 5.341 ( -4.952 1.460 -11.976) 13.042 5.789 ( -7.975 -0.221 2.454) 8.347 5.843 ( -6.720 0.162 -3.705) 7.676 7.467 ( 18.788 -0.118 4.217) 19.255 7.557 ( 18.974 0.165 -4.881) 19.593 8.515 ( -14.362 -0.139 -0.642) 14.377 8.539 ( -11.660 -0.299 -3.214) 12.098 9.067 ( 22.660 -0.114 6.158) 23.482 9.172 ( 21.539 -0.677 -4.699) 22.056 11.571 ( 7.559 0.048 11.646) 13.885 11.664 ( 4.187 0.206 1.525) 4.460 12.489 ( 5.285 0.147 3.521) 6.352 12.641 ( 9.444 -0.168 -11.110) 14.582 14.194 ( 0.659 1.169 2.148) 2.533 14.242 ( 0.026 1.268 -2.631) 2.921 15.129 ( -6.369 -0.200 24.090) 24.918 15.615 ( -11.292 0.480 -21.514) 24.302 15.992 ( -13.007 3.988 4.594) 14.359 16.108 ( -6.877 0.874 -6.015) 9.178 16.373 ( -12.858 0.401 -3.626) 13.366 16.401 ( -12.499 -3.619 -6.650) 14.613 17.438 ( -1.840 0.518 -0.077) 1.913 17.443 ( -3.517 0.621 -0.723) 3.644 19.635 ( 0.525 0.168 9.002) 9.018 19.771 ( 1.094 0.139 -4.800) 4.925 ======================= Grid point 947 (285/324) ======================= q-point: ( 0.29 0.18 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.671 ( 9.109 0.474 14.047) 16.748 4.820 ( 3.485 -0.460 7.365) 8.161 4.842 ( 4.512 -0.948 -4.173) 6.219 4.954 ( -1.599 -0.372 -3.993) 4.317 5.106 ( 2.837 1.273 -0.124) 3.112 5.224 ( -5.881 1.513 -7.948) 10.002 5.667 ( -4.304 0.230 3.212) 5.376 5.785 ( -0.730 -1.228 -9.414) 9.521 7.709 ( 7.056 0.103 4.089) 8.156 7.798 ( 6.856 0.395 -4.968) 8.476 8.320 ( -5.697 -0.174 1.616) 5.925 8.383 ( -4.223 -0.280 -4.834) 6.425 9.378 ( 9.999 0.526 6.028) 11.687 9.476 ( 9.495 -1.074 -4.155) 10.420 11.661 ( 2.097 0.110 8.313) 8.574 11.705 ( 0.355 0.183 2.654) 2.683 12.559 ( 1.973 0.068 7.221) 7.486 12.769 ( 3.841 -0.102 -12.925) 13.484 14.175 ( -3.375 0.994 1.809) 3.956 14.215 ( -3.385 1.350 -2.210) 4.262 15.044 ( -1.523 -0.184 22.350) 22.402 15.439 ( -4.375 1.813 -14.159) 14.930 15.771 ( -6.938 5.441 7.344) 11.474 15.991 ( -6.236 -1.368 -8.629) 10.734 16.123 ( -13.701 -1.981 -3.567) 14.296 16.204 ( -10.195 -5.222 -12.651) 17.066 17.395 ( -0.455 1.645 0.661) 1.830 17.412 ( -0.007 1.286 -0.941) 1.593 19.636 ( -0.380 0.171 9.443) 9.453 19.780 ( -0.115 0.153 -5.106) 5.109 ======================= Grid point 948 (286/324) ======================= q-point: ( 0.35 0.18 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.676 ( -10.021 0.299 11.293) 15.101 4.720 ( -12.291 -0.791 3.535) 12.814 4.913 ( -1.802 -0.974 -0.683) 2.159 4.937 ( 3.212 -2.253 -0.787) 4.002 5.105 ( -2.101 3.241 -1.192) 4.042 5.170 ( 1.872 0.878 -6.064) 6.407 5.628 ( -0.486 -0.378 4.582) 4.623 5.791 ( -0.151 -1.642 -11.965) 12.078 7.732 ( -4.465 0.634 3.516) 5.718 7.806 ( -5.852 0.734 -4.022) 7.138 8.324 ( 6.311 -0.211 2.359) 6.741 8.404 ( 6.619 -0.075 -5.816) 8.812 9.416 ( -5.516 1.316 6.141) 8.359 9.517 ( -5.922 -0.678 -4.370) 7.391 11.654 ( -2.589 0.054 7.101) 7.559 11.680 ( -2.866 -0.197 3.241) 4.331 12.556 ( -2.409 0.044 8.342) 8.684 12.779 ( -2.817 0.043 -13.138) 13.437 14.041 ( -9.771 -0.986 1.778) 9.981 14.083 ( -9.526 -0.602 -2.381) 9.838 15.090 ( 5.745 1.159 23.580) 24.298 15.464 ( 7.305 5.040 -10.515) 13.760 15.651 ( -3.843 4.219 6.938) 8.984 15.893 ( -7.127 -5.048 -13.497) 16.076 15.945 ( -4.078 -9.491 4.451) 11.248 16.118 ( -2.115 -4.663 -19.988) 20.634 17.412 ( 3.387 2.294 0.840) 4.176 17.430 ( 2.892 1.870 -0.920) 3.565 19.619 ( -1.283 -0.058 9.454) 9.541 19.766 ( -1.258 -0.033 -5.348) 5.494 ======================= Grid point 949 (287/324) ======================= q-point: (-0.59 0.18 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.372 ( -20.269 0.007 6.359) 21.243 4.433 ( -19.068 -2.678 0.863) 19.275 4.774 ( -13.179 -1.825 7.510) 15.278 4.950 ( -7.055 -3.582 -7.234) 10.721 5.085 ( 4.374 3.488 7.117) 9.053 5.251 ( 7.120 3.909 -9.719) 12.666 5.631 ( -0.535 -2.806 5.285) 6.007 5.796 ( -0.419 -2.575 -11.286) 11.583 7.542 ( -14.365 1.634 1.899) 14.582 7.579 ( -16.824 1.015 -1.839) 16.954 8.544 ( 16.065 0.175 1.545) 16.140 8.615 ( 14.938 0.661 -5.772) 16.028 9.166 ( -19.628 1.716 5.983) 20.591 9.270 ( -20.003 0.180 -4.816) 20.576 11.568 ( -6.372 0.178 8.311) 10.474 11.605 ( -5.254 -0.713 3.535) 6.373 12.467 ( -6.967 -0.024 6.662) 9.640 12.664 ( -9.372 -0.011 -12.146) 15.341 13.882 ( -7.247 -3.297 1.616) 8.124 13.924 ( -7.281 -3.219 -2.507) 8.346 15.193 ( 5.405 2.155 25.288) 25.948 15.479 ( -4.497 -0.924 0.241) 4.597 15.596 ( -2.146 -1.322 0.247) 2.533 15.899 ( 5.942 -2.431 -22.860) 23.745 16.102 ( 12.977 -8.959 0.849) 15.792 16.187 ( 6.776 -7.210 -12.385) 15.852 17.482 ( 4.900 2.353 0.312) 5.445 17.490 ( 4.641 2.022 -0.461) 5.083 19.592 ( -1.593 -0.422 9.138) 9.285 19.737 ( -1.769 -0.314 -5.488) 5.775 ======================= Grid point 950 (288/324) ======================= q-point: (-0.53 0.18 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.950 ( -24.352 0.212 6.633) 25.240 4.056 ( -22.682 -3.098 -3.316) 23.131 4.491 ( -17.111 -1.568 14.561) 22.523 4.774 ( -12.619 -4.416 -11.772) 17.814 5.150 ( 2.185 2.359 7.505) 8.164 5.324 ( 1.657 6.293 -10.763) 12.578 5.635 ( -2.319 -7.644 7.389) 10.881 5.820 ( 0.938 -5.710 -11.012) 12.440 7.195 ( -19.662 2.627 2.933) 20.052 7.246 ( -15.576 3.480 -2.149) 16.104 8.683 ( -29.215 1.953 5.805) 29.851 8.778 ( -25.974 2.021 -4.079) 26.370 8.872 ( 17.491 0.748 -0.734) 17.522 8.924 ( 11.399 0.464 -5.980) 12.881 11.421 ( -8.699 0.845 11.754) 14.647 11.501 ( -6.010 -0.974 3.182) 6.870 12.304 ( -10.142 -0.554 2.617) 10.489 12.437 ( -14.632 -0.425 -10.030) 17.745 13.841 ( 0.485 -5.065 1.501) 5.304 13.883 ( 0.531 -5.354 -2.606) 5.979 15.251 ( 1.198 -0.938 20.256) 20.313 15.422 ( -3.956 -9.306 2.198) 10.348 15.583 ( -0.292 -5.038 4.212) 6.573 16.015 ( 5.578 1.660 -30.427) 30.979 16.458 ( 16.105 -7.242 -1.835) 17.753 16.481 ( 20.166 -6.695 -2.735) 21.424 17.540 ( 2.413 2.213 1.096) 3.453 17.566 ( 3.933 1.963 -1.675) 4.704 19.570 ( -1.062 -0.736 8.597) 8.694 19.708 ( -1.451 -0.478 -5.434) 5.645 ======================= Grid point 951 (289/324) ======================= q-point: (-0.47 0.18 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.472 ( -25.656 1.904 8.427) 27.071 3.635 ( -23.512 -2.232 -7.708) 24.843 4.181 ( -16.104 0.039 20.817) 26.319 4.564 ( -12.374 -4.624 -15.968) 20.723 5.050 ( -14.637 -1.394 3.245) 15.057 5.160 ( -17.128 2.312 -8.388) 19.211 5.656 ( 0.078 -8.811 12.868) 15.596 5.924 ( 5.404 -8.870 -13.729) 17.215 6.867 ( -11.778 4.777 7.379) 14.696 6.993 ( -7.391 6.826 -5.391) 11.414 8.061 ( -34.589 2.191 6.139) 35.198 8.178 ( -32.777 2.379 -5.996) 33.405 9.128 ( 7.732 1.492 -2.451) 8.247 9.152 ( 11.183 0.979 -4.816) 12.215 11.245 ( -8.914 2.336 16.412) 18.822 11.409 ( -3.930 -0.310 0.969) 4.060 12.113 ( -11.599 -1.347 -2.868) 12.024 12.148 ( -14.573 -1.986 -5.912) 15.851 13.961 ( 8.637 -5.950 1.710) 10.627 14.009 ( 8.848 -6.577 -2.873) 11.393 15.268 ( -0.947 -5.839 14.537) 15.695 15.439 ( -2.092 -13.847 -2.197) 14.175 15.651 ( 4.283 -4.340 11.948) 13.414 16.105 ( 4.844 0.096 -28.770) 29.175 16.795 ( 15.101 -4.429 3.098) 16.039 16.892 ( 19.473 -2.831 -6.786) 20.815 17.529 ( -2.341 2.668 2.292) 4.225 17.589 ( -0.861 1.980 -3.862) 4.425 19.566 ( 0.233 -0.973 7.811) 7.875 19.692 ( -0.486 -0.418 -5.043) 5.084 ======================= Grid point 952 (290/324) ======================= q-point: (-0.41 0.18 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.984 ( -23.890 4.441 11.311) 26.803 3.220 ( -21.318 -0.426 -12.172) 24.552 3.884 ( -14.909 4.529 25.387) 29.788 4.346 ( -14.706 0.570 -19.206) 24.196 4.638 ( -29.254 -4.269 0.031) 29.564 4.711 ( -27.428 -7.374 -5.898) 29.007 5.743 ( 2.559 -9.269 18.355) 20.721 6.098 ( 5.495 -10.796 -17.486) 21.272 6.651 ( -11.838 4.836 11.171) 16.980 6.841 ( -8.654 6.708 -8.146) 13.647 7.439 ( -25.344 4.209 8.923) 27.196 7.619 ( -21.108 3.595 -9.596) 23.464 9.157 ( -3.564 1.322 1.417) 4.057 9.257 ( 0.428 0.850 -8.900) 8.951 11.053 ( -10.126 3.650 19.046) 21.877 11.336 ( -5.423 1.973 -7.317) 9.319 11.870 ( -10.235 -3.365 5.441) 12.070 12.027 ( -2.367 -3.085 -8.570) 9.411 14.221 ( 14.833 -5.842 2.278) 16.104 14.277 ( 15.090 -6.603 -3.145) 16.769 15.300 ( 0.253 -7.431 12.443) 14.496 15.498 ( -0.785 -14.396 -7.105) 16.073 15.782 ( 6.304 -5.067 15.149) 17.173 16.194 ( 3.926 -2.046 -24.721) 25.115 17.039 ( 8.352 -0.525 6.762) 10.759 17.211 ( 13.713 2.040 -10.392) 17.326 17.413 ( -7.779 3.750 2.750) 9.063 17.494 ( -7.988 2.821 -6.157) 10.473 19.592 ( 1.771 -1.360 6.536) 6.907 19.696 ( 0.640 -0.245 -4.187) 4.243 ======================= Grid point 953 (291/324) ======================= q-point: (-0.35 0.18 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.542 ( -19.276 7.195 14.982) 25.452 2.855 ( -16.919 2.005 -16.169) 23.489 3.501 ( -23.681 9.441 21.303) 33.222 3.860 ( -32.967 6.753 -15.192) 36.922 4.140 ( -21.946 -4.943 11.822) 25.413 4.434 ( -9.403 -9.686 -16.348) 21.201 5.798 ( -7.500 -10.528 17.874) 22.058 6.080 ( -22.520 -6.885 -8.115) 24.908 6.320 ( -17.998 -0.571 9.003) 20.133 6.552 ( -7.082 -2.821 -12.918) 14.999 7.223 ( 2.954 7.896 9.996) 13.076 7.446 ( 3.580 5.338 -12.352) 13.924 9.007 ( -10.404 1.315 5.729) 11.950 9.180 ( -7.138 0.641 -12.073) 14.039 10.813 ( -13.179 3.001 17.148) 21.835 11.120 ( -15.355 2.083 -13.711) 20.691 11.853 ( 4.915 -3.281 13.549) 14.782 12.078 ( 5.364 -2.278 -9.734) 11.345 14.567 ( 18.230 -4.828 3.055) 19.104 14.631 ( 18.241 -5.488 -3.046) 19.290 15.367 ( 2.457 -6.346 11.534) 13.392 15.582 ( 1.394 -12.118 -9.552) 15.492 15.934 ( 5.968 -6.078 13.646) 16.086 16.261 ( 0.906 -3.065 -18.567) 18.840 17.042 ( -9.408 3.892 7.786) 12.817 17.245 ( -14.351 4.898 -9.314) 17.796 17.258 ( -4.658 4.326 2.522) 6.839 17.375 ( 6.280 7.407 -11.166) 14.798 19.645 ( 2.621 -1.960 4.615) 5.658 19.718 ( 1.532 -0.233 -3.039) 3.411 ======================= Grid point 954 (292/324) ======================= q-point: (-0.29 0.18 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.189 ( -12.809 9.681 18.757) 24.691 2.562 ( -12.561 5.034 -16.626) 21.437 2.903 ( -30.838 10.524 11.284) 34.483 3.179 ( -32.569 8.481 -14.965) 36.832 3.896 ( -7.105 1.512 25.802) 26.806 4.376 ( -2.610 -5.437 -21.637) 22.461 5.411 ( -31.578 -3.790 7.488) 32.674 5.525 ( -33.365 -2.704 -4.031) 33.716 6.207 ( 0.755 -11.501 23.257) 25.956 6.650 ( 5.236 -12.542 -21.499) 25.434 7.298 ( 8.088 7.774 12.224) 16.591 7.569 ( 10.851 5.803 -14.907) 19.330 8.798 ( -9.893 1.865 9.218) 13.650 9.026 ( -7.875 0.803 -14.274) 16.322 10.545 ( -13.423 1.438 14.038) 19.476 10.805 ( -16.044 0.588 -12.303) 20.227 12.012 ( 8.904 -1.918 12.716) 15.641 12.217 ( 7.472 -1.003 -8.693) 11.507 14.942 ( 18.763 -3.067 3.674) 19.364 15.003 ( 17.981 -3.732 -2.054) 18.478 15.465 ( 4.559 -4.002 11.595) 13.086 15.701 ( 4.703 -8.607 -10.797) 14.586 16.060 ( 3.494 -4.850 8.303) 10.231 16.232 ( -6.310 -0.951 -8.099) 10.311 16.736 ( -17.499 3.684 1.528) 17.948 16.860 ( -21.036 6.358 -9.894) 24.100 17.169 ( -3.706 7.306 7.894) 11.376 17.383 ( 1.167 11.520 -14.925) 18.890 19.702 ( 1.958 -1.845 2.895) 3.952 19.758 ( 2.290 -1.280 -2.645) 3.725 ======================= Grid point 955 (293/324) ======================= q-point: (-0.24 0.18 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.948 ( -6.204 12.055 21.144) 25.118 2.224 ( -20.081 13.142 14.036) 27.802 2.402 ( -12.540 9.284 -18.324) 24.067 2.618 ( -18.680 9.665 -19.221) 28.492 3.804 ( -1.224 6.024 33.220) 33.784 4.390 ( 1.373 -2.785 -24.660) 24.855 4.897 ( -22.825 -3.056 5.228) 23.615 4.995 ( -22.624 -2.385 -4.351) 23.162 6.334 ( 2.346 -16.641 25.949) 30.916 6.818 ( 3.379 -14.975 -23.223) 27.839 7.389 ( 5.611 6.989 15.216) 17.660 7.722 ( 7.992 6.124 -18.288) 20.876 8.645 ( -4.624 2.746 10.780) 12.047 8.903 ( -4.148 1.184 -15.768) 16.347 10.322 ( -9.058 0.231 12.298) 15.276 10.549 ( -10.325 -0.192 -10.675) 14.853 12.171 ( 6.306 -1.473 10.629) 12.446 12.342 ( 4.952 -0.315 -7.312) 8.837 15.288 ( 16.730 -0.173 3.340) 17.061 15.329 ( 14.688 -1.789 0.198) 14.798 15.568 ( 3.545 -1.806 12.946) 13.543 15.830 ( 1.505 -0.040 -10.571) 10.677 16.033 ( -7.350 2.987 3.878) 8.831 16.117 ( -1.889 -3.842 -3.374) 5.451 16.386 ( -16.731 3.243 -0.667) 17.055 16.471 ( -15.711 1.502 -8.841) 18.090 17.038 ( -4.186 8.950 10.743) 14.596 17.310 ( -0.303 13.169 -17.676) 22.044 19.736 ( 0.865 -0.955 2.946) 3.216 19.814 ( 1.900 -3.183 -4.435) 5.781 ======================= Grid point 956 (294/324) ======================= q-point: (-0.18 0.18 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.789 ( -0.000 17.230 19.269) 25.849 1.933 ( -0.000 10.944 25.150) 27.428 2.192 ( -0.000 13.002 -21.735) 25.327 2.419 ( -0.000 6.303 -23.764) 24.586 3.755 ( -0.000 7.357 37.766) 38.476 4.438 ( 0.000 -1.694 -30.710) 30.756 4.672 ( 0.000 -2.514 7.442) 7.855 4.785 ( 0.000 -2.781 -4.260) 5.087 6.465 ( 0.000 -17.776 25.516) 31.097 6.941 ( 0.000 -14.296 -22.624) 26.763 7.405 ( -0.000 5.876 16.334) 17.358 7.762 ( -0.000 6.809 -19.477) 20.633 8.586 ( -0.000 3.462 11.019) 11.550 8.858 ( -0.000 1.457 -16.715) 16.779 10.232 ( 0.000 -0.237 11.971) 11.973 10.449 ( 0.000 -0.283 -9.915) 9.919 12.243 ( 0.000 -1.503 9.091) 9.215 12.392 ( 0.000 -0.193 -6.469) 6.472 15.505 ( -0.000 4.860 1.149) 4.994 15.528 ( -0.000 4.969 -1.208) 5.113 15.575 ( 0.000 -5.937 14.466) 15.637 15.673 ( -0.000 5.024 2.357) 5.550 15.986 ( -0.000 2.791 0.897) 2.932 16.212 ( 0.000 -7.231 -17.466) 18.903 16.215 ( -0.000 1.273 0.501) 1.368 16.225 ( -0.000 1.049 -0.492) 1.159 16.940 ( -0.000 8.806 11.485) 14.472 17.228 ( -0.000 13.170 -18.413) 22.639 19.749 ( 0.000 -0.657 3.593) 3.653 19.855 ( 0.000 -3.996 -6.670) 7.775 ======================= Grid point 963 (295/324) ======================= q-point: ( 0.24 0.24 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.674 ( 9.053 0.000 14.189) 16.832 4.813 ( 3.826 0.000 6.743) 7.752 4.840 ( 3.897 0.000 -3.176) 5.027 4.952 ( -1.049 -0.000 -4.902) 5.013 5.114 ( 2.734 0.000 0.316) 2.752 5.233 ( -6.338 -0.000 -7.871) 10.106 5.669 ( -4.352 -0.000 2.756) 5.151 5.777 ( -0.839 -0.000 -9.062) 9.101 7.709 ( 7.162 0.000 4.194) 8.300 7.800 ( 6.891 0.000 -5.043) 8.539 8.319 ( -5.694 -0.000 1.579) 5.909 8.381 ( -4.152 -0.000 -4.801) 6.347 9.382 ( 10.250 0.000 5.478) 11.622 9.469 ( 9.598 0.000 -3.626) 10.260 11.662 ( 2.075 0.000 8.351) 8.605 11.706 ( 0.258 0.000 2.646) 2.658 12.559 ( 1.942 0.000 7.145) 7.404 12.768 ( 3.907 0.000 -12.894) 13.473 14.181 ( -3.930 -0.000 1.889) 4.361 14.223 ( -3.883 -0.000 -2.379) 4.553 15.043 ( -1.306 -0.000 22.709) 22.746 15.451 ( -3.866 -0.000 -14.982) 15.473 15.812 ( -6.242 -0.000 6.778) 9.214 15.973 ( -9.396 -0.000 -1.925) 9.591 16.120 ( -14.832 -0.000 -3.417) 15.220 16.163 ( -8.981 -0.000 -18.376) 20.453 17.406 ( -0.389 -0.000 0.529) 0.657 17.420 ( 0.069 0.000 -0.844) 0.847 19.637 ( -0.441 -0.000 9.447) 9.457 19.781 ( -0.166 -0.000 -5.094) 5.096 ======================= Grid point 964 (296/324) ======================= q-point: ( 0.29 0.24 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.679 ( -9.795 0.110 11.134) 14.829 4.713 ( -13.443 -0.271 3.692) 13.944 4.906 ( -2.578 -0.128 -1.958) 3.240 4.917 ( 3.220 -1.021 -0.107) 3.380 5.140 ( -1.999 2.273 -1.532) 3.393 5.170 ( 2.780 -0.781 -4.310) 5.188 5.626 ( -0.869 -0.027 3.590) 3.694 5.776 ( -0.249 -0.744 -11.780) 11.806 7.737 ( -4.216 0.253 3.609) 5.556 7.812 ( -5.789 0.287 -4.004) 7.045 8.322 ( 6.382 -0.089 2.384) 6.813 8.403 ( 6.799 -0.044 -5.895) 8.999 9.428 ( -5.349 0.596 5.144) 7.445 9.510 ( -5.582 -0.376 -3.422) 6.558 11.655 ( -2.594 0.027 6.994) 7.459 11.678 ( -3.068 -0.069 3.315) 4.518 12.556 ( -2.407 0.020 8.356) 8.696 12.780 ( -2.795 0.012 -13.105) 13.400 14.033 ( -10.669 -0.335 1.894) 10.841 14.078 ( -10.575 -0.186 -2.618) 10.896 15.100 ( 6.530 0.483 24.744) 25.596 15.517 ( 10.524 3.017 -12.641) 16.723 15.713 ( -8.677 5.741 5.214) 11.638 15.815 ( -3.826 -7.167 0.237) 8.128 15.858 ( -10.203 -3.932 -0.944) 10.975 16.083 ( -1.312 -1.364 -25.490) 25.560 17.431 ( 3.273 0.860 0.636) 3.443 17.445 ( 2.816 0.695 -0.752) 2.997 19.619 ( -1.415 -0.016 9.463) 9.569 19.766 ( -1.366 -0.007 -5.361) 5.533 ======================= Grid point 965 (297/324) ======================= q-point: (-0.65 0.24 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.374 ( -20.497 0.347 4.274) 20.941 4.406 ( -19.305 -1.780 2.259) 19.518 4.755 ( -13.237 -1.153 7.278) 15.149 4.915 ( -7.020 -2.055 -6.075) 9.508 5.125 ( 3.874 2.769 7.219) 8.648 5.286 ( 8.521 1.778 -8.584) 12.225 5.607 ( -2.297 -1.291 4.257) 5.007 5.767 ( -1.522 -1.985 -11.820) 12.082 7.559 ( -13.567 1.070 1.613) 13.704 7.589 ( -16.784 0.543 -1.395) 16.850 8.546 ( 16.320 0.069 1.718) 16.411 8.621 ( 15.350 0.305 -6.039) 16.498 9.183 ( -19.752 1.026 5.140) 20.435 9.271 ( -19.621 -0.068 -3.990) 20.023 11.571 ( -6.174 0.165 7.876) 10.009 11.598 ( -5.446 -0.423 3.863) 6.690 12.467 ( -7.041 0.021 6.715) 9.730 12.664 ( -9.506 -0.040 -12.014) 15.320 13.852 ( -7.931 -1.721 1.623) 8.276 13.894 ( -8.141 -1.662 -2.600) 8.707 15.218 ( 5.271 1.750 26.892) 27.459 15.470 ( -10.549 -0.644 3.139) 11.025 15.590 ( -6.671 0.280 -2.544) 7.145 15.869 ( 13.885 -2.409 -20.783) 25.110 16.013 ( 14.348 -5.316 1.706) 15.396 16.119 ( 4.867 -3.966 -16.882) 18.012 17.505 ( 4.505 1.398 0.109) 4.719 17.509 ( 4.540 1.077 -0.281) 4.675 19.589 ( -1.729 -0.217 9.167) 9.331 19.735 ( -1.861 -0.158 -5.561) 5.866 ======================= Grid point 966 (298/324) ======================= q-point: (-0.59 0.24 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.956 ( -23.387 0.667 4.402) 23.807 4.025 ( -22.100 -2.027 -1.715) 22.259 4.468 ( -17.388 -1.990 13.698) 22.225 4.723 ( -13.539 -3.700 -10.579) 17.576 5.191 ( 2.775 4.127 9.710) 10.909 5.403 ( 3.161 6.650 -12.119) 14.180 5.547 ( -5.242 -6.815 7.813) 11.618 5.748 ( -2.346 -6.096 -12.293) 13.921 7.223 ( -18.937 1.932 3.464) 19.348 7.282 ( -13.886 2.440 -2.521) 14.323 8.702 ( -29.544 1.205 5.576) 30.090 8.797 ( -27.492 1.133 -4.175) 27.830 8.880 ( 17.705 0.521 -0.651) 17.724 8.928 ( 13.698 0.289 -5.771) 14.867 11.431 ( -8.096 0.729 10.855) 13.561 11.490 ( -6.009 -0.787 4.071) 7.300 12.299 ( -10.538 -0.273 2.630) 10.865 12.432 ( -15.021 -0.377 -9.893) 17.990 13.791 ( 0.213 -3.207 1.305) 3.469 13.830 ( 0.057 -3.405 -2.512) 4.232 15.239 ( -2.530 -0.885 15.989) 16.212 15.326 ( -6.663 -6.581 4.008) 10.186 15.538 ( 0.958 -2.490 7.943) 8.379 16.040 ( 5.220 2.299 -32.755) 33.248 16.377 ( 17.736 -5.912 -0.437) 18.700 16.409 ( 22.317 -5.015 -2.926) 23.060 17.562 ( 2.314 1.500 0.990) 2.930 17.587 ( 3.683 1.335 -1.524) 4.203 19.562 ( -1.136 -0.472 8.694) 8.780 19.704 ( -1.437 -0.302 -5.591) 5.780 ======================= Grid point 967 (299/324) ======================= q-point: (-0.53 0.24 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.504 ( -23.241 3.326 5.831) 24.191 3.619 ( -21.741 -0.621 -5.378) 22.405 4.164 ( -15.814 -2.558 18.888) 24.766 4.497 ( -13.015 -6.001 -13.568) 19.736 5.054 ( -17.487 2.200 5.515) 18.468 5.203 ( -19.515 4.089 -9.013) 21.881 5.557 ( 0.710 -7.252 10.835) 13.057 5.813 ( 4.387 -9.329 -13.960) 17.354 6.919 ( -10.900 3.813 8.360) 14.256 7.066 ( -6.323 5.238 -6.597) 10.533 8.082 ( -34.396 1.431 6.335) 35.004 8.202 ( -32.503 1.608 -6.027) 33.096 9.144 ( 7.685 1.153 -2.705) 8.228 9.163 ( 11.254 0.777 -4.489) 12.141 11.272 ( -7.885 2.063 15.342) 17.373 11.404 ( -3.213 -0.541 2.812) 4.304 12.099 ( -11.268 -1.015 -3.365) 11.804 12.127 ( -16.563 -1.568 -5.991) 17.683 13.900 ( 8.833 -4.235 1.240) 9.874 13.940 ( 8.895 -4.765 -2.631) 10.428 15.196 ( -2.985 -5.669 9.528) 11.482 15.290 ( -3.038 -10.771 0.395) 11.198 15.618 ( 5.360 -1.479 15.235) 16.218 16.109 ( 3.663 0.565 -29.758) 29.988 16.744 ( 17.230 -3.850 4.238) 18.157 16.858 ( 21.863 -2.761 -7.750) 23.360 17.557 ( -2.102 1.951 2.058) 3.530 17.610 ( -0.781 1.499 -3.355) 3.756 19.556 ( 0.164 -0.692 8.089) 8.120 19.688 ( -0.368 -0.292 -5.321) 5.341 ======================= Grid point 968 (300/324) ======================= q-point: (-0.47 0.24 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.059 ( -20.446 7.741 8.250) 23.367 3.233 ( -18.572 2.489 -9.150) 20.852 3.914 ( -12.143 0.151 23.340) 26.310 4.316 ( -11.073 -5.559 -15.049) 19.493 4.581 ( -29.897 -4.480 0.980) 30.246 4.675 ( -33.133 1.201 -8.377) 34.196 5.634 ( 1.490 -8.578 16.789) 18.913 5.967 ( 4.110 -10.696 -16.780) 20.319 6.707 ( -13.052 4.309 11.671) 18.031 6.914 ( -11.519 5.365 -9.430) 15.824 7.488 ( -22.228 3.908 8.544) 24.132 7.657 ( -20.379 2.585 -8.877) 22.378 9.172 ( -3.711 1.159 1.152) 4.055 9.267 ( 0.281 0.811 -8.637) 8.680 11.096 ( -9.933 3.380 18.409) 21.189 11.357 ( -4.010 1.473 -5.298) 6.805 11.830 ( -11.634 -3.166 4.916) 13.021 11.992 ( -2.312 -2.614 -9.158) 9.800 14.158 ( 15.450 -4.546 1.597) 16.184 14.205 ( 15.749 -5.241 -2.923) 16.854 15.210 ( 0.406 -7.159 8.567) 11.172 15.335 ( 0.308 -12.391 -3.588) 12.903 15.739 ( 6.199 -2.284 16.083) 17.387 16.174 ( 2.816 -1.480 -25.733) 25.929 17.032 ( 11.145 -0.567 8.204) 13.851 17.227 ( 16.339 0.819 -11.753) 20.143 17.452 ( -7.471 2.768 2.577) 8.374 17.525 ( -7.317 2.272 -5.177) 9.247 19.578 ( 1.570 -1.010 7.213) 7.451 19.694 ( 0.763 -0.160 -4.656) 4.721 ======================= Grid point 969 (301/324) ======================= q-point: (-0.41 0.24 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.659 ( -15.534 12.218 11.418) 22.824 2.904 ( -13.713 6.045 -13.017) 19.850 3.617 ( -21.253 9.516 20.910) 31.297 3.932 ( -31.265 3.985 -9.668) 32.968 4.066 ( -23.321 -6.397 5.638) 24.831 4.306 ( -7.060 -11.398 -15.274) 20.324 5.668 ( -6.756 -10.838 17.745) 21.863 5.978 ( -16.658 -9.797 -12.354) 22.937 6.321 ( -22.219 0.618 10.671) 24.656 6.532 ( -16.336 -0.728 -10.260) 19.305 7.319 ( 3.626 7.984 7.597) 11.602 7.503 ( 3.841 4.058 -10.762) 12.126 9.023 ( -10.260 1.228 5.287) 11.607 9.188 ( -7.162 0.679 -11.744) 13.773 10.848 ( -14.181 2.747 16.660) 22.050 11.143 ( -16.400 1.742 -13.077) 21.048 11.813 ( 5.927 -3.245 14.375) 15.884 12.052 ( 6.242 -2.040 -10.325) 12.236 14.512 ( 19.103 -4.159 2.394) 19.697 14.570 ( 19.496 -4.533 -3.059) 20.249 15.293 ( 4.141 -5.801 8.117) 10.802 15.444 ( 3.732 -10.757 -6.544) 13.132 15.872 ( 5.749 -4.226 14.208) 15.899 16.223 ( 0.616 -3.156 -20.505) 20.755 17.096 ( -6.539 4.997 9.817) 12.810 17.296 ( -12.304 3.407 -6.289) 14.232 17.301 ( -5.428 3.052 1.764) 6.472 17.451 ( 8.665 5.342 -13.283) 16.735 19.624 ( 2.366 -1.563 5.892) 6.539 19.716 ( 1.483 -0.093 -3.695) 3.983 ======================= Grid point 970 (302/324) ======================= q-point: (-0.35 0.24 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.340 ( -9.586 15.346 14.777) 23.362 2.647 ( -9.159 9.104 -15.066) 19.843 3.035 ( -29.699 11.073 11.348) 33.666 3.279 ( -31.091 7.915 -12.903) 34.581 3.889 ( -4.149 -2.793 21.423) 21.999 4.297 ( -1.055 -7.809 -18.613) 20.213 5.356 ( -29.720 -5.383 8.603) 31.405 5.484 ( -32.581 -4.110 -4.157) 33.101 6.079 ( -4.538 -9.385 22.010) 24.354 6.502 ( 2.071 -11.700 -20.558) 23.745 7.394 ( 7.913 8.120 9.964) 15.094 7.631 ( 10.418 4.404 -13.569) 17.665 8.819 ( -9.568 1.625 8.518) 12.913 9.035 ( -7.753 0.723 -13.769) 15.818 10.561 ( -14.440 1.217 13.690) 19.935 10.811 ( -16.811 0.454 -11.671) 20.471 11.988 ( 9.450 -1.993 13.446) 16.555 12.205 ( 8.156 -0.906 -9.230) 12.350 14.902 ( 19.635 -3.362 3.528) 20.231 14.966 ( 19.879 -2.546 -2.382) 20.183 15.425 ( 6.986 -2.552 7.966) 10.899 15.602 ( 7.422 -7.458 -8.769) 13.697 15.996 ( 4.027 -5.551 9.094) 11.390 16.213 ( -4.370 -2.534 -12.497) 13.479 16.797 ( -17.905 6.280 4.870) 19.590 16.935 ( -20.426 5.945 -8.744) 23.000 17.247 ( -2.332 5.572 10.311) 11.950 17.509 ( 2.600 9.451 -16.983) 19.609 19.678 ( 2.118 -2.032 4.334) 5.234 19.748 ( 1.693 -0.450 -2.880) 3.371 ======================= Grid point 971 (303/324) ======================= q-point: (-0.29 0.24 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.121 ( -3.544 16.568 17.387) 24.277 2.387 ( -15.465 14.010 7.955) 22.332 2.528 ( -11.461 11.678 -12.398) 20.529 2.740 ( -18.782 10.473 -16.326) 26.999 3.861 ( 0.359 3.153 27.319) 27.503 4.346 ( 2.139 -4.745 -20.566) 21.214 4.856 ( -22.863 -3.714 6.239) 23.988 4.963 ( -22.888 -2.962 -4.459) 23.506 6.135 ( 0.224 -16.094 26.631) 31.118 6.631 ( 2.014 -15.852 -23.624) 28.521 7.479 ( 5.458 7.771 13.317) 16.356 7.784 ( 7.584 4.296 -17.270) 19.345 8.674 ( -4.363 2.097 9.837) 10.963 8.916 ( -4.091 0.858 -15.027) 15.598 10.324 ( -9.626 0.106 12.146) 15.499 10.547 ( -10.542 -0.206 -10.368) 14.788 12.153 ( 6.298 -1.592 11.627) 13.319 12.339 ( 5.211 -0.232 -7.936) 9.496 15.268 ( 16.738 -2.989 5.570) 17.892 15.327 ( 17.989 1.041 -0.496) 18.025 15.561 ( 5.946 0.793 8.141) 10.113 15.797 ( 7.267 -4.121 -12.898) 15.368 16.058 ( -6.380 -1.773 1.439) 6.776 16.087 ( -1.807 0.375 -1.124) 2.160 16.427 ( -16.905 3.936 0.672) 17.370 16.510 ( -19.255 4.746 -7.494) 21.200 17.142 ( -3.651 8.202 13.595) 16.291 17.462 ( -0.078 11.895 -19.431) 22.782 19.720 ( 1.072 -1.718 3.305) 3.876 19.783 ( 1.313 -1.734 -2.949) 3.664 ======================= Grid point 972 (304/324) ======================= q-point: (-0.24 0.24 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.001 ( -0.000 17.722 16.574) 24.264 2.091 ( -0.000 15.402 21.191) 26.197 2.353 ( -0.000 13.675 -19.326) 23.675 2.511 ( -0.000 9.184 -21.271) 23.169 3.839 ( -0.000 6.293 31.727) 32.345 4.411 ( 0.000 -3.098 -25.297) 25.486 4.637 ( 0.000 -3.237 7.260) 7.948 4.748 ( 0.000 -3.177 -4.276) 5.327 6.246 ( 0.000 -18.347 27.111) 32.736 6.751 ( 0.000 -16.865 -24.151) 29.456 7.487 ( -0.000 7.409 15.457) 17.141 7.832 ( -0.000 4.859 -19.149) 19.756 8.623 ( -0.000 2.650 9.726) 10.081 8.873 ( -0.000 1.041 -15.779) 15.813 10.229 ( 0.000 -0.273 11.950) 11.953 10.445 ( 0.000 -0.316 -9.882) 9.887 12.224 ( 0.000 -1.630 10.304) 10.432 12.390 ( 0.000 -0.096 -7.133) 7.134 15.501 ( 0.000 -6.124 15.087) 16.282 15.569 ( -0.000 5.692 1.232) 5.824 15.594 ( -0.000 5.834 -1.276) 5.972 15.718 ( -0.000 1.922 -4.125) 4.551 16.016 ( -0.000 1.939 -1.232) 2.297 16.149 ( 0.000 -2.508 -13.877) 14.102 16.230 ( -0.000 1.141 0.339) 1.190 16.236 ( -0.000 0.870 -0.353) 0.939 17.049 ( -0.000 9.066 14.571) 17.162 17.384 ( -0.000 12.751 -20.076) 23.783 19.739 ( 0.000 -1.147 3.110) 3.315 19.812 ( 0.000 -3.031 -3.935) 4.967 ======================= Grid point 981 (305/324) ======================= q-point: (-0.71 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.378 ( -20.872 -0.000 2.625) 21.036 4.393 ( -19.076 -0.000 3.664) 19.424 4.748 ( -13.323 -0.000 7.189) 15.138 4.903 ( -7.098 -0.000 -5.716) 9.113 5.143 ( 3.833 0.000 7.240) 8.191 5.296 ( 9.111 0.000 -7.675) 11.913 5.599 ( -2.881 -0.000 3.455) 4.498 5.754 ( -2.043 -0.000 -12.003) 12.176 7.566 ( -13.164 -0.000 1.464) 13.245 7.592 ( -16.891 -0.000 -1.186) 16.933 8.546 ( 16.414 0.000 1.770) 16.509 8.623 ( 15.495 0.000 -6.131) 16.664 9.189 ( -19.854 -0.000 4.784) 20.423 9.270 ( -19.441 -0.000 -3.638) 19.779 11.572 ( -6.086 -0.000 7.725) 9.834 11.595 ( -5.532 -0.000 3.978) 6.814 12.467 ( -7.061 -0.000 6.718) 9.746 12.663 ( -9.560 -0.000 -11.955) 15.307 13.841 ( -8.164 -0.000 1.629) 8.325 13.884 ( -8.440 -0.000 -2.635) 8.842 15.230 ( 5.322 0.000 27.837) 28.341 15.465 ( -12.839 -0.000 3.751) 13.376 15.594 ( -10.125 -0.000 -3.412) 10.685 15.851 ( 19.289 0.000 -19.371) 27.337 15.981 ( 14.777 0.000 1.824) 14.889 16.095 ( 3.599 0.000 -19.050) 19.387 17.514 ( 3.910 0.000 -0.038) 3.910 17.515 ( 4.934 0.000 -0.144) 4.936 19.587 ( -1.777 -0.000 9.178) 9.348 19.734 ( -1.894 -0.000 -5.586) 5.898 ======================= Grid point 983 (306/324) ======================= q-point: (-0.65 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.963 ( -22.615 0.460 2.785) 22.791 4.007 ( -21.651 -0.821 -0.380) 21.670 4.449 ( -17.818 -0.870 13.165) 22.171 4.691 ( -14.226 -1.417 -10.071) 17.488 5.236 ( 4.743 2.593 11.430) 12.644 5.469 ( 8.882 2.494 -9.505) 13.246 5.484 ( -10.826 -2.036 4.440) 11.877 5.684 ( -6.520 -3.652 -13.094) 15.077 7.239 ( -18.555 0.715 3.724) 18.938 7.302 ( -13.000 0.876 -2.710) 13.308 8.711 ( -29.781 0.404 5.402) 30.270 8.805 ( -28.306 0.344 -4.201) 28.618 8.884 ( 17.844 0.187 -0.604) 17.855 8.931 ( 14.966 0.109 -5.628) 15.990 11.438 ( -7.727 0.325 10.299) 12.879 11.483 ( -6.070 -0.340 4.623) 7.637 12.297 ( -10.751 -0.076 2.569) 11.054 12.429 ( -15.232 -0.151 -9.759) 18.091 13.765 ( 0.083 -1.093 1.201) 1.626 13.802 ( -0.193 -1.163 -2.456) 2.725 15.235 ( -4.785 0.284 13.206) 14.049 15.267 ( -8.424 -3.063 4.690) 10.116 15.520 ( 2.151 -0.665 10.655) 10.890 16.063 ( 4.120 1.253 -35.433) 35.694 16.324 ( 19.620 -2.480 1.628) 19.843 16.366 ( 23.442 -1.885 -2.841) 23.689 17.574 ( 2.232 0.527 0.929) 2.475 17.598 ( 3.530 0.469 -1.448) 3.844 19.559 ( -1.174 -0.163 8.747) 8.827 19.701 ( -1.430 -0.103 -5.674) 5.852 ======================= Grid point 984 (307/324) ======================= q-point: (-0.59 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.544 ( -20.668 3.019 3.565) 21.190 3.616 ( -19.987 -0.079 -3.094) 20.225 4.129 ( -16.571 -2.675 17.353) 24.143 4.433 ( -14.282 -4.160 -12.613) 19.503 5.097 ( -20.879 4.413 7.033) 22.469 5.237 ( -19.111 0.668 -3.446) 19.431 5.499 ( -0.403 -1.895 3.686) 4.164 5.707 ( 5.296 -7.882 -13.512) 16.515 6.955 ( -10.357 2.127 8.905) 13.824 7.116 ( -5.642 2.851 -7.403) 9.735 8.095 ( -34.248 0.670 6.513) 34.868 8.217 ( -32.320 0.799 -6.047) 32.891 9.155 ( 7.613 0.626 -2.862) 8.157 9.170 ( 11.378 0.439 -4.270) 12.161 11.293 ( -7.139 1.324 14.413) 16.139 11.397 ( -2.800 -0.508 4.285) 5.144 12.089 ( -10.940 -0.543 -3.709) 11.565 12.112 ( -18.048 -0.872 -6.068) 19.061 13.861 ( 8.986 -2.169 0.899) 9.288 13.896 ( 8.922 -2.483 -2.451) 9.580 15.143 ( -3.920 -2.804 6.078) 7.757 15.186 ( -3.752 -6.444 2.411) 7.837 15.608 ( 5.749 -0.319 17.024) 17.971 16.116 ( 2.610 0.441 -30.199) 30.315 16.707 ( 18.875 -2.213 4.981) 19.646 16.830 ( 23.529 -1.684 -8.331) 25.017 17.575 ( -2.001 1.019 1.909) 2.947 17.624 ( -0.756 0.794 -3.063) 3.253 19.550 ( 0.132 -0.358 8.267) 8.276 19.686 ( -0.286 -0.149 -5.497) 5.506 ======================= Grid point 985 (308/324) ======================= q-point: (-0.53 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.161 ( -16.448 8.759 5.282) 19.369 3.272 ( -15.489 3.569 -5.749) 16.903 3.887 ( -11.291 -4.265 20.426) 23.726 4.230 ( -11.054 -7.680 -13.505) 19.068 4.553 ( -33.192 -0.216 5.061) 33.576 4.708 ( -32.999 3.297 -10.328) 34.734 5.545 ( 0.632 -6.094 14.684) 15.911 5.849 ( 3.417 -8.490 -15.965) 18.402 6.752 ( -13.924 2.991 11.838) 18.519 6.967 ( -14.076 3.395 -10.065) 17.635 7.530 ( -19.102 2.843 7.762) 20.814 7.681 ( -20.108 1.443 -7.949) 21.670 9.184 ( -3.812 0.795 0.979) 4.016 9.276 ( 0.177 0.597 -8.458) 8.481 11.132 ( -9.889 2.516 17.769) 20.491 11.370 ( -2.629 0.815 -3.225) 4.240 11.797 ( -12.932 -2.312 4.411) 13.858 11.966 ( -2.302 -1.766 -9.875) 10.292 14.114 ( 15.930 -2.779 0.976) 16.200 14.153 ( 16.232 -3.354 -2.748) 16.802 15.137 ( 1.013 -4.592 5.755) 7.432 15.207 ( 1.149 -8.779 -0.871) 8.897 15.721 ( 5.746 -0.896 16.285) 17.292 16.159 ( 1.747 -0.980 -25.948) 26.025 17.026 ( 13.582 -0.373 8.960) 16.275 17.233 ( 18.335 0.225 -12.431) 22.153 17.479 ( -7.415 1.668 2.476) 7.994 17.547 ( -6.892 1.436 -4.637) 8.430 19.568 ( 1.453 -0.610 7.689) 7.848 19.692 ( 0.865 -0.083 -4.981) 5.057 ======================= Grid point 986 (309/324) ======================= q-point: (-0.47 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.826 ( -11.571 15.154 7.925) 20.648 2.995 ( -10.288 8.676 -8.966) 16.171 3.715 ( -14.027 5.423 21.635) 26.348 3.905 ( -27.184 -6.752 3.078) 28.178 4.029 ( -32.441 -1.961 -6.155) 33.078 4.184 ( -6.739 -6.842 -17.136) 19.644 5.547 ( -6.968 -9.018 16.787) 20.290 5.858 ( -12.783 -9.506 -14.267) 21.386 6.332 ( -25.616 1.080 11.329) 28.030 6.529 ( -21.730 0.091 -8.577) 23.361 7.410 ( 4.132 6.956 4.716) 9.365 7.540 ( 3.857 2.127 -8.358) 9.448 9.036 ( -10.194 0.951 4.942) 11.369 9.196 ( -7.232 0.571 -11.502) 13.599 10.878 ( -15.201 2.131 16.191) 22.311 11.161 ( -17.361 1.224 -12.428) 21.386 11.777 ( 6.984 -2.664 15.206) 16.944 12.030 ( 7.020 -1.541 -10.976) 13.120 14.470 ( 19.765 -2.842 1.662) 20.037 14.523 ( 20.541 -3.298 -3.259) 21.058 15.232 ( 6.174 -4.073 5.590) 9.271 15.328 ( 6.103 -8.333 -3.658) 10.958 15.831 ( 4.854 -2.609 13.900) 14.952 16.187 ( -0.128 -2.734 -21.258) 21.434 17.158 ( -2.996 5.168 10.713) 12.266 17.316 ( -4.517 0.427 4.342) 6.280 17.340 ( -13.156 2.896 -6.664) 15.029 17.503 ( 10.711 3.373 -15.063) 18.788 19.608 ( 2.157 -1.048 6.878) 7.284 19.716 ( 1.509 -0.003 -4.205) 4.468 ======================= Grid point 987 (310/324) ======================= q-point: (-0.41 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.549 ( -6.985 19.136 10.894) 23.101 2.778 ( -6.358 12.537 -11.621) 18.239 3.161 ( -29.050 9.638 9.902) 32.169 3.362 ( -29.636 5.579 -10.494) 31.930 3.828 ( -1.356 -7.163 18.489) 19.874 4.191 ( 0.017 -9.500 -16.784) 19.286 5.282 ( -26.714 -6.673 9.650) 29.177 5.429 ( -31.320 -4.834 -5.030) 32.088 5.987 ( -9.846 -6.019 20.314) 23.363 6.377 ( -1.433 -8.815 -19.069) 21.057 7.489 ( 7.657 7.517 7.125) 12.880 7.673 ( 9.695 2.494 -11.051) 14.911 8.836 ( -9.485 1.211 7.947) 12.434 9.042 ( -7.786 0.543 -13.376) 15.486 10.573 ( -15.397 0.887 13.452) 20.465 10.816 ( -17.415 0.303 -11.106) 20.657 11.965 ( 9.970 -1.774 14.199) 17.440 12.196 ( 8.781 -0.711 -9.812) 13.186 14.865 ( 20.081 -2.702 3.143) 20.505 14.939 ( 21.566 -2.062 -3.589) 21.959 15.405 ( 10.046 -0.936 5.323) 11.407 15.526 ( 10.324 -5.300 -6.211) 13.163 15.932 ( 3.451 -4.923 9.495) 11.238 16.174 ( -3.793 -3.664 -14.929) 15.833 16.878 ( -17.870 6.706 5.344) 19.821 17.000 ( -19.724 4.774 -7.360) 21.587 17.302 ( -0.656 3.632 12.813) 13.334 17.608 ( 3.989 6.957 -18.517) 20.179 19.656 ( 2.006 -1.601 5.817) 6.358 19.745 ( 1.525 -0.075 -3.402) 3.729 ======================= Grid point 988 (311/324) ======================= q-point: (-0.35 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.338 ( -3.270 19.120 13.472) 23.617 2.559 ( -11.565 14.645 4.318) 19.154 2.678 ( -11.071 13.005 -7.683) 18.728 2.864 ( -17.051 10.035 -13.423) 23.908 3.871 ( 2.012 -1.804 22.161) 22.325 4.272 ( 2.715 -7.663 -17.366) 19.174 4.809 ( -22.713 -4.105 7.040) 24.131 4.924 ( -22.686 -3.474 -4.591) 23.405 5.958 ( -1.812 -13.109 26.495) 29.616 6.449 ( 0.644 -13.932 -23.344) 27.193 7.571 ( 5.283 7.554 10.424) 13.915 7.824 ( 6.965 2.288 -14.680) 16.409 8.694 ( -4.485 1.281 9.237) 10.347 8.924 ( -4.208 0.472 -14.438) 15.046 10.324 ( -10.081 -0.007 12.093) 15.744 10.544 ( -10.726 -0.186 -10.132) 14.756 12.134 ( 6.342 -1.520 12.670) 14.250 12.337 ( 5.479 -0.138 -8.616) 10.212 15.229 ( 15.983 -3.211 6.419) 17.520 15.338 ( 20.209 0.328 -3.490) 20.511 15.586 ( 8.931 3.245 4.991) 10.733 15.755 ( 9.656 -2.191 -10.937) 14.753 16.014 ( 1.335 -4.559 2.650) 5.439 16.086 ( -5.171 -1.583 -5.048) 7.397 16.485 ( -18.515 5.539 2.638) 19.505 16.573 ( -21.327 5.216 -6.462) 22.887 17.232 ( -2.777 6.716 16.137) 17.699 17.592 ( 0.359 9.675 -20.810) 22.952 19.697 ( 1.152 -1.955 4.724) 5.241 19.771 ( 0.994 -0.494 -2.878) 3.085 ======================= Grid point 989 (312/324) ======================= q-point: (-0.29 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.206 ( -0.000 16.224 14.207) 21.565 2.301 ( -0.000 19.492 16.882) 25.786 2.513 ( -0.000 12.604 -17.005) 21.167 2.640 ( -0.000 12.439 -17.631) 21.577 3.894 ( -0.000 2.330 25.723) 25.828 4.357 ( 0.000 -6.020 -20.247) 21.123 4.595 ( 0.000 -3.653 7.306) 8.169 4.710 ( 0.000 -3.179 -4.535) 5.538 6.035 ( 0.000 -16.442 27.731) 32.239 6.549 ( 0.000 -16.275 -24.428) 29.352 7.578 ( -0.000 7.619 12.837) 14.927 7.878 ( -0.000 2.786 -16.993) 17.220 8.648 ( -0.000 1.490 9.056) 9.177 8.882 ( -0.000 0.506 -14.982) 14.990 10.226 ( 0.000 -0.273 11.933) 11.936 10.442 ( 0.000 -0.307 -9.853) 9.858 12.205 ( 0.000 -1.599 11.575) 11.685 12.390 ( -0.000 0.013 -7.873) 7.873 15.432 ( 0.000 -5.171 13.009) 13.999 15.639 ( -0.000 5.858 1.335) 6.008 15.666 ( -0.000 6.034 -1.364) 6.186 15.709 ( 0.000 -3.329 -12.257) 12.702 16.039 ( -0.000 2.284 1.184) 2.573 16.151 ( -0.000 2.023 -10.001) 10.203 16.241 ( -0.000 0.748 0.155) 0.764 16.245 ( -0.000 0.455 -0.191) 0.494 17.153 ( -0.000 8.231 17.147) 19.020 17.529 ( -0.000 11.165 -21.461) 24.191 19.720 ( 0.000 -1.896 3.872) 4.312 19.786 ( 0.000 -1.264 -2.819) 3.090 ======================= Grid point 1000 (313/324) ======================= q-point: (-0.65 0.35 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.565 ( -19.375 -0.000 2.346) 19.517 3.615 ( -19.300 -0.000 -1.842) 19.388 4.112 ( -17.163 -0.000 16.833) 24.040 4.406 ( -14.930 -0.000 -12.420) 19.421 5.134 ( -25.243 -0.000 6.994) 26.194 5.229 ( -13.911 -0.000 2.631) 14.158 5.498 ( -5.054 -0.000 -2.745) 5.751 5.650 ( 8.118 0.000 -12.870) 15.216 6.968 ( -10.173 -0.000 9.077) 13.634 7.133 ( -5.409 -0.000 -7.685) 9.398 8.099 ( -34.193 -0.000 6.587) 34.822 8.222 ( -32.256 -0.000 -6.058) 32.820 9.159 ( 7.576 0.000 -2.912) 8.117 9.173 ( 11.440 0.000 -4.194) 12.184 11.301 ( -6.868 -0.000 14.017) 15.609 11.394 ( -2.664 -0.000 4.878) 5.558 12.086 ( -10.777 -0.000 -3.829) 11.437 12.106 ( -18.629 -0.000 -6.104) 19.604 13.848 ( 9.048 0.000 0.772) 9.080 13.881 ( 8.929 0.000 -2.381) 9.241 15.131 ( -4.115 -0.000 3.282) 5.264 15.141 ( -4.074 -0.000 4.786) 6.285 15.607 ( 5.820 0.000 17.543) 18.483 16.119 ( 2.178 0.000 -30.328) 30.406 16.694 ( 19.502 0.000 5.237) 20.193 16.820 ( 24.136 0.000 -8.522) 25.596 17.581 ( -1.974 -0.000 1.858) 2.711 17.628 ( -0.751 -0.000 -2.968) 3.061 19.548 ( 0.124 0.000 8.329) 8.330 19.685 ( -0.257 -0.000 -5.557) 5.563 ======================= Grid point 1002 (314/324) ======================= q-point: (-0.59 0.35 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.250 ( -12.897 4.960 2.420) 14.028 3.304 ( -13.363 1.204 -2.540) 13.655 3.836 ( -12.560 -2.998 18.746) 22.763 4.157 ( -12.475 -3.583 -13.501) 18.728 4.561 ( -34.228 0.781 7.340) 35.015 4.738 ( -32.423 1.421 -10.000) 33.959 5.494 ( -0.007 -2.145 12.769) 12.948 5.775 ( 3.411 -3.407 -15.334) 16.074 6.776 ( -14.384 1.074 11.856) 18.672 6.995 ( -15.593 1.152 -10.247) 18.694 7.554 ( -17.038 1.057 7.089) 18.484 7.692 ( -20.173 0.439 -7.280) 21.451 9.191 ( -3.862 0.283 0.899) 3.976 9.281 ( 0.120 0.222 -8.371) 8.374 11.154 ( -9.943 0.958 17.333) 20.005 11.376 ( -1.694 0.233 -1.806) 2.487 11.777 ( -13.752 -0.852 4.053) 14.363 11.951 ( -2.313 -0.627 -10.381) 10.654 14.092 ( 16.217 -0.912 0.570) 16.252 14.126 ( 16.463 -1.159 -2.618) 16.710 15.106 ( 1.523 -0.506 3.468) 3.821 15.128 ( 1.530 -4.235 1.455) 4.732 15.715 ( 5.424 -0.226 16.224) 17.108 16.151 ( 1.107 -0.352 -25.894) 25.920 17.023 ( 14.982 -0.124 9.250) 17.608 17.234 ( 19.423 0.029 -12.691) 23.201 17.492 ( -7.437 0.554 2.429) 7.843 17.559 ( -6.693 0.488 -4.405) 8.028 19.563 ( 1.402 -0.203 7.932) 8.057 19.692 ( 0.924 -0.025 -5.147) 5.229 ======================= Grid point 1003 (315/324) ======================= q-point: (-0.53 0.35 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.006 ( -7.713 13.699 4.441) 16.336 3.094 ( -7.021 6.750 -4.488) 10.724 3.695 ( -5.961 -7.492 18.169) 20.537 3.875 ( -32.552 1.854 4.927) 32.975 3.956 ( -24.042 -7.655 -5.915) 25.915 4.167 ( -18.664 1.539 -15.999) 24.631 5.460 ( -7.360 -5.157 15.631) 18.031 5.763 ( -10.859 -5.920 -14.872) 19.343 6.344 ( -27.580 0.752 11.402) 29.853 6.531 ( -24.297 0.179 -7.627) 25.466 7.482 ( 4.769 4.991 1.627) 7.092 7.553 ( 3.477 -0.124 -5.499) 6.507 9.045 ( -10.178 0.519 4.727) 11.234 9.201 ( -7.310 0.327 -11.358) 13.511 10.898 ( -16.001 1.176 15.839) 22.546 11.172 ( -18.046 0.623 -11.923) 21.638 11.751 ( 7.826 -1.520 15.834) 17.727 12.016 ( 7.564 -0.831 -11.495) 13.786 14.445 ( 20.223 -1.325 0.932) 20.288 14.492 ( 21.128 -1.812 -3.332) 21.466 15.199 ( 7.782 -1.358 3.529) 8.653 15.246 ( 7.837 -5.287 -1.020) 9.509 15.809 ( 4.064 -1.224 13.332) 13.991 16.161 ( -0.812 -1.599 -21.378) 21.453 17.216 ( 1.722 4.252 11.420) 12.307 17.310 ( -7.000 -1.295 4.623) 8.488 17.367 ( -13.048 1.560 -5.726) 14.334 17.533 ( 12.137 1.607 -16.326) 20.407 19.599 ( 2.029 -0.516 7.493) 7.780 19.716 ( 1.548 0.021 -4.524) 4.781 ======================= Grid point 1004 (316/324) ======================= q-point: (-0.47 0.35 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.786 ( -5.239 19.683 7.650) 21.758 2.937 ( -3.997 13.355 -7.349) 15.759 3.252 ( -28.477 4.808 7.322) 29.794 3.404 ( -27.691 1.253 -8.265) 28.925 3.727 ( 0.171 -9.105 17.611) 19.826 4.079 ( -0.487 -8.532 -16.278) 18.385 5.205 ( -24.056 -5.744 10.401) 26.830 5.374 ( -29.731 -4.134 -6.613) 30.737 5.933 ( -13.727 -3.012 19.005) 23.637 6.294 ( -4.569 -5.114 -17.494) 18.790 7.572 ( 7.460 6.126 3.858) 10.395 7.690 ( 8.975 0.330 -7.737) 11.854 8.847 ( -9.550 0.728 7.548) 12.195 9.048 ( -7.898 0.323 -13.112) 15.310 10.582 ( -16.144 0.525 13.323) 20.938 10.819 ( -17.812 0.169 -10.684) 20.772 11.947 ( 10.382 -1.237 14.823) 18.140 12.189 ( 9.258 -0.452 -10.317) 13.869 14.840 ( 20.344 -1.519 2.240) 20.523 14.916 ( 22.398 -1.708 -4.586) 22.926 15.402 ( 13.065 0.526 3.456) 13.524 15.474 ( 13.254 -3.440 -3.438) 14.118 15.882 ( 2.353 -3.397 9.336) 10.209 16.132 ( -4.051 -3.118 -15.875) 16.678 16.950 ( -18.032 5.013 4.150) 19.171 17.047 ( -19.187 3.070 -6.208) 20.398 17.335 ( 1.056 1.873 15.209) 15.360 17.675 ( 5.078 4.238 -19.518) 20.609 19.641 ( 1.877 -0.970 6.925) 7.240 19.745 ( 1.504 0.048 -3.850) 4.134 ======================= Grid point 1005 (317/324) ======================= q-point: (-0.41 0.35 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.560 ( -7.245 16.910 10.498) 21.181 2.737 ( -8.139 14.937 3.231) 17.315 2.834 ( -10.445 12.671 -5.674) 17.374 2.978 ( -12.307 9.030 -10.159) 18.336 3.815 ( 2.923 -7.283 18.468) 20.066 4.163 ( 2.546 -10.234 -15.478) 18.729 4.760 ( -22.078 -3.951 7.523) 23.657 4.882 ( -22.091 -3.245 -4.963) 22.873 5.827 ( -3.535 -8.516 25.743) 27.344 6.305 ( -0.521 -9.929 -22.683) 24.767 7.657 ( 5.136 6.661 6.960) 10.917 7.839 ( 6.344 0.286 -11.028) 12.726 8.705 ( -4.824 0.605 8.938) 10.175 8.927 ( -4.399 0.181 -14.041) 14.715 10.324 ( -10.391 -0.061 12.109) 15.956 10.542 ( -10.867 -0.139 -9.979) 14.754 12.117 ( 6.407 -1.213 13.589) 15.073 12.336 ( 5.710 -0.069 -9.250) 10.871 15.196 ( 15.434 -2.256 5.244) 16.456 15.331 ( 20.525 -1.364 -6.674) 21.625 15.636 ( 11.520 4.878 3.694) 13.044 15.749 ( 12.730 1.050 -7.508) 14.816 15.955 ( 3.813 -5.113 3.316) 7.189 16.052 ( -4.690 -3.796 -7.226) 9.414 16.551 ( -20.261 5.075 2.792) 21.073 16.629 ( -22.354 4.022 -5.563) 23.384 17.301 ( -1.822 4.742 18.206) 18.902 17.691 ( 0.829 6.789 -21.743) 22.793 19.677 ( 1.107 -1.438 6.215) 6.474 19.768 ( 0.919 -0.026 -3.293) 3.419 ======================= Grid point 1006 (318/324) ======================= q-point: (-0.35 0.35 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.384 ( -0.000 13.111 12.220) 17.923 2.551 ( -0.000 21.884 13.139) 25.526 2.650 ( -0.000 10.101 -14.942) 18.036 2.808 ( -0.000 15.231 -13.259) 20.194 3.886 ( 0.000 -3.952 20.489) 20.866 4.262 ( 0.000 -9.846 -16.498) 19.213 4.552 ( 0.000 -3.493 7.580) 8.346 4.674 ( 0.000 -2.761 -5.006) 5.717 5.861 ( 0.000 -12.196 27.544) 30.123 6.371 ( 0.000 -12.997 -24.184) 27.455 7.667 ( -0.000 7.069 9.436) 11.790 7.899 ( -0.000 0.792 -13.592) 13.615 8.660 ( -0.000 0.516 8.940) 8.955 8.886 ( -0.000 0.107 -14.418) 14.419 10.223 ( 0.000 -0.233 11.923) 11.926 10.438 ( 0.000 -0.256 -9.830) 9.834 12.187 ( 0.000 -1.377 12.744) 12.818 12.390 ( -0.000 0.072 -8.609) 8.609 15.379 ( 0.000 -3.647 9.898) 10.549 15.652 ( 0.000 -5.533 -16.026) 16.954 15.706 ( -0.000 5.216 1.455) 5.416 15.735 ( -0.000 5.420 -1.475) 5.617 16.073 ( -0.000 3.161 3.061) 4.400 16.181 ( -0.000 2.603 -8.274) 8.674 16.247 ( -0.000 0.057 0.027) 0.063 16.248 ( -0.000 0.185 -0.080) 0.202 17.243 ( -0.000 6.557 19.167) 20.258 17.648 ( -0.000 8.631 -22.445) 24.047 19.697 ( 0.000 -1.784 5.432) 5.718 19.778 ( 0.000 -0.250 -2.969) 2.980 ======================= Grid point 1019 (319/324) ======================= q-point: (-0.59 0.41 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.117 ( -3.995 -0.000 -0.036) 3.995 3.123 ( -6.758 -0.000 0.377) 6.769 3.633 ( -8.766 -0.000 16.160) 18.384 3.885 ( -19.453 -0.000 -10.731) 22.217 3.910 ( -33.052 -0.000 10.443) 34.662 4.179 ( -21.804 -0.000 -14.678) 26.285 5.429 ( -7.540 -0.000 15.086) 16.866 5.726 ( -10.250 -0.000 -14.984) 18.154 6.348 ( -28.214 -0.000 11.373) 30.420 6.533 ( -25.047 -0.000 -7.312) 26.092 7.520 ( 6.551 0.000 -0.594) 6.578 7.544 ( 1.773 0.000 -3.343) 3.784 9.048 ( -10.178 -0.000 4.653) 11.191 9.203 ( -7.343 -0.000 -11.310) 13.485 10.905 ( -16.310 -0.000 15.706) 22.643 11.175 ( -18.295 -0.000 -11.730) 21.732 11.742 ( 8.153 0.000 16.068) 18.018 12.011 ( 7.761 0.000 -11.694) 14.035 14.437 ( 20.397 0.000 0.591) 20.406 14.481 ( 21.296 0.000 -3.305) 21.551 15.200 ( 8.320 0.000 1.827) 8.518 15.205 ( 8.542 0.000 0.945) 8.594 15.801 ( 3.766 0.000 13.067) 13.599 16.151 ( -1.082 -0.000 -21.356) 21.383 17.248 ( 8.654 0.000 13.322) 15.886 17.296 ( -13.217 -0.000 2.932) 13.538 17.376 ( -12.966 -0.000 -5.268) 13.996 17.543 ( 12.656 0.000 -16.796) 21.030 19.595 ( 1.987 0.000 7.701) 7.953 19.716 ( 1.565 0.000 -4.631) 4.888 ======================= Grid point 1021 (320/324) ======================= q-point: (-0.53 0.41 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.993 ( -4.076 12.468 5.182) 14.104 3.072 ( -0.762 7.617 -3.474) 8.406 3.258 ( -26.997 -3.330 5.697) 27.792 3.400 ( -26.867 -0.999 -8.847) 28.304 3.637 ( -0.895 -4.507 19.069) 19.614 4.004 ( -2.463 -3.458 -16.465) 17.003 5.155 ( -22.708 -2.260 10.694) 25.202 5.338 ( -28.494 -1.668 -7.810) 29.592 5.911 ( -15.620 -0.875 18.377) 24.135 6.254 ( -6.403 -1.626 -16.500) 17.773 7.632 ( 7.298 3.655 0.420) 8.173 7.682 ( 8.597 -1.424 -4.180) 9.665 8.853 ( -9.630 0.241 7.344) 12.113 9.050 ( -7.987 0.105 -12.982) 15.242 10.586 ( -16.553 0.172 13.273) 21.218 10.820 ( -18.005 0.054 -10.460) 20.823 11.937 ( 10.611 -0.445 15.177) 18.524 12.185 ( 9.516 -0.155 -10.614) 14.256 14.828 ( 20.454 -0.438 1.404) 20.507 14.900 ( 22.624 -0.723 -4.956) 23.171 15.416 ( 15.097 1.599 1.614) 15.266 15.440 ( 15.146 -2.367 -0.735) 15.347 15.853 ( 1.446 -1.212 9.004) 9.199 16.105 ( -4.430 -1.218 -16.172) 16.812 16.992 ( -18.359 1.860 2.916) 18.682 17.072 ( -18.904 1.056 -5.565) 19.735 17.349 ( 2.249 0.541 16.841) 16.999 17.709 ( 5.674 1.421 -20.008) 20.846 19.633 ( 1.807 -0.320 7.504) 7.726 19.746 ( 1.514 0.032 -4.094) 4.365 ======================= Grid point 1022 (321/324) ======================= q-point: (-0.47 0.41 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.717 ( -14.827 8.615 9.229) 19.474 2.904 ( -7.642 11.197 -3.761) 14.069 2.968 ( -9.220 9.220 0.435) 13.046 3.084 ( -2.329 8.550 -6.506) 10.993 3.708 ( 2.535 -9.435 16.946) 19.560 4.042 ( 1.489 -8.877 -15.275) 17.729 4.719 ( -21.208 -2.564 7.849) 22.758 4.850 ( -21.442 -1.944 -5.543) 22.232 5.753 ( -4.623 -3.913 24.867) 25.594 6.215 ( -1.296 -5.012 -21.968) 22.570 7.728 ( 5.087 5.047 3.148) 7.827 7.832 ( 5.845 -1.447 -6.877) 9.141 8.710 ( -5.153 0.202 8.820) 10.217 8.929 ( -4.557 0.039 -13.828) 14.560 10.323 ( -10.564 -0.051 12.145) 16.097 10.541 ( -10.956 -0.074 -9.896) 14.764 12.106 ( 6.462 -0.677 14.217) 15.632 12.335 ( 5.864 -0.028 -9.706) 11.340 15.176 ( 15.136 -1.038 3.641) 15.603 15.312 ( 19.921 -1.498 -8.375) 21.662 15.699 ( 13.765 5.441 2.930) 15.089 15.769 ( 17.114 1.384 -3.833) 17.593 15.896 ( 4.413 -4.235 3.072) 6.844 16.004 ( -5.907 -3.647 -8.536) 11.002 16.600 ( -21.406 2.893 2.245) 21.717 16.666 ( -22.881 2.144 -4.934) 23.505 17.344 ( -1.085 2.451 19.573) 19.756 17.753 ( 1.178 3.491 -22.262) 22.565 19.664 ( 1.063 -0.721 7.217) 7.331 19.769 ( 0.915 0.064 -3.649) 3.763 ======================= Grid point 1023 (322/324) ======================= q-point: (-0.41 0.41 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.515 ( -0.000 8.608 10.702) 13.734 2.751 ( -0.000 6.508 -13.323) 14.828 2.811 ( -0.000 20.455 10.663) 23.068 2.996 ( -0.000 15.590 -9.125) 18.064 3.800 ( 0.000 -9.766 16.986) 19.593 4.129 ( 0.000 -11.689 -14.862) 18.908 4.515 ( 0.000 -2.571 7.940) 8.346 4.645 ( 0.000 -1.910 -5.518) 5.840 5.746 ( 0.000 -6.908 26.815) 27.691 6.244 ( 0.000 -8.075 -23.645) 24.986 7.745 ( -0.000 5.946 5.548) 8.133 7.897 ( 0.000 -1.048 -9.407) 9.465 8.662 ( -0.000 0.009 9.085) 9.085 8.886 ( 0.000 -0.061 -14.108) 14.108 10.220 ( 0.000 -0.157 11.919) 11.920 10.436 ( 0.000 -0.169 -9.815) 9.817 12.173 ( 0.000 -0.944 13.637) 13.670 12.391 ( -0.000 0.069 -9.214) 9.214 15.345 ( 0.000 -1.992 6.900) 7.181 15.589 ( 0.000 -4.518 -16.468) 17.077 15.760 ( -0.000 3.681 1.577) 4.005 15.792 ( -0.000 3.870 -1.596) 4.187 16.108 ( -0.000 2.415 3.288) 4.080 16.208 ( -0.000 1.822 -7.433) 7.653 16.244 ( 0.000 -0.312 0.176) 0.358 16.248 ( 0.000 -0.058 -0.236) 0.243 17.308 ( -0.000 4.223 20.543) 20.973 17.733 ( -0.000 5.432 -23.036) 23.668 19.679 ( 0.000 -1.118 6.766) 6.858 19.777 ( -0.000 0.048 -3.372) 3.372 ======================= Grid point 1038 (323/324) ======================= q-point: (-0.53 0.47 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.767 ( -17.530 -0.000 8.923) 19.670 2.969 ( -16.243 -0.000 -11.723) 20.032 3.035 ( -0.490 -0.000 7.972) 7.987 3.149 ( 2.649 0.000 -5.488) 6.094 3.638 ( 1.657 0.000 17.363) 17.442 3.982 ( 0.667 0.000 -15.812) 15.826 4.703 ( -20.799 -0.000 7.988) 22.280 4.838 ( -21.159 -0.000 -5.837) 21.949 5.731 ( -4.976 -0.000 24.483) 24.984 6.185 ( -1.565 -0.000 -21.654) 21.711 7.766 ( 5.092 0.000 0.402) 5.108 7.816 ( 5.643 0.000 -3.971) 6.900 8.711 ( -5.286 -0.000 8.790) 10.257 8.929 ( -4.616 -0.000 -13.764) 14.518 10.323 ( -10.618 -0.000 12.163) 16.146 10.541 ( -10.986 -0.000 -9.870) 14.769 12.101 ( 6.484 0.000 14.440) 15.829 12.335 ( 5.918 0.000 -9.872) 11.510 15.170 ( 15.044 0.000 2.920) 15.324 15.302 ( 19.610 0.000 -8.764) 21.479 15.754 ( 14.656 0.000 1.505) 14.733 15.761 ( 19.639 0.000 0.317) 19.641 15.869 ( 5.262 0.000 1.722) 5.536 15.979 ( -8.048 -0.000 -9.421) 12.391 16.617 ( -21.803 -0.000 1.971) 21.891 16.679 ( -23.049 -0.000 -4.709) 23.525 17.359 ( -0.808 -0.000 20.052) 20.068 17.774 ( 1.305 0.000 -22.426) 22.464 19.659 ( 1.048 0.000 7.563) 7.635 19.769 ( 0.919 0.000 -3.780) 3.890 ======================= Grid point 1040 (324/324) ======================= q-point: (-0.47 0.47 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.586 ( -0.000 3.016 9.845) 10.296 2.803 ( -0.000 2.243 -12.401) 12.602 3.006 ( -0.000 9.863 9.797) 13.902 3.154 ( -0.000 8.815 -7.059) 11.293 3.682 ( 0.000 -7.639 16.335) 18.033 4.011 ( 0.000 -6.204 -15.354) 16.561 4.493 ( 0.000 -0.953 8.192) 8.247 4.630 ( 0.000 -0.688 -5.852) 5.892 5.693 ( 0.000 -2.132 26.148) 26.235 6.179 ( 0.000 -2.688 -23.185) 23.341 7.805 ( -0.000 3.513 1.630) 3.872 7.877 ( 0.000 -1.848 -5.207) 5.525 8.662 ( 0.000 -0.056 9.220) 9.220 8.885 ( 0.000 -0.043 -13.988) 13.988 10.219 ( 0.000 -0.056 11.918) 11.918 10.434 ( 0.000 -0.059 -9.808) 9.808 12.165 ( 0.000 -0.337 14.120) 14.124 12.392 ( -0.000 0.027 -9.557) 9.558 15.330 ( 0.000 -0.590 5.011) 5.046 15.550 ( 0.000 -1.725 -16.085) 16.177 15.791 ( -0.000 1.343 1.662) 2.137 15.824 ( -0.000 1.426 -1.686) 2.208 16.128 ( -0.000 0.874 3.158) 3.277 16.223 ( -0.000 0.640 -7.045) 7.074 16.241 ( 0.000 -0.184 0.292) 0.345 16.247 ( 0.000 -0.077 -0.351) 0.359 17.342 ( -0.000 1.457 21.234) 21.284 17.777 ( -0.000 1.851 -23.303) 23.377 19.670 ( 0.000 -0.370 7.482) 7.491 19.778 ( -0.000 0.045 -3.626) 3.626 =================== 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 3/60690 10.0 2749.110 7852.420 2665.760 0.000 0.000 -0.000 3/60690 20.0 1382.476 1844.331 1295.738 0.000 0.000 -0.000 3/60690 30.0 814.023 713.208 693.442 0.000 0.000 -0.000 3/60690 40.0 535.570 346.585 402.180 0.000 0.000 -0.000 3/60690 50.0 386.645 200.792 260.766 0.000 0.000 0.000 3/60690 60.0 296.562 132.216 184.936 0.000 0.000 0.000 3/60690 70.0 237.424 95.239 139.979 0.000 0.000 0.000 3/60690 80.0 196.376 73.058 111.125 0.000 0.000 0.000 3/60690 90.0 166.613 58.613 91.432 0.000 0.000 0.000 3/60690 100.0 144.240 48.596 77.323 0.000 0.000 0.000 3/60690 110.0 126.914 41.307 66.818 0.000 0.000 0.000 3/60690 120.0 113.163 35.801 58.747 0.000 0.000 0.000 3/60690 130.0 102.021 31.519 52.386 0.000 0.000 0.000 3/60690 140.0 92.837 28.108 47.262 0.000 0.000 0.000 3/60690 150.0 85.153 25.340 43.059 0.000 0.000 0.000 3/60690 160.0 78.641 23.055 39.557 0.000 0.000 0.000 3/60690 170.0 73.060 21.142 36.599 0.000 0.000 0.000 3/60690 180.0 68.228 19.521 34.069 0.000 0.000 0.000 3/60690 190.0 64.006 18.132 31.883 0.000 0.000 0.000 3/60690 200.0 60.289 16.931 29.974 0.000 0.000 0.000 3/60690 210.0 56.991 15.882 28.294 0.000 0.000 0.000 3/60690 220.0 54.046 14.959 26.804 0.000 0.000 0.000 3/60690 230.0 51.400 14.141 25.472 0.000 0.000 0.000 3/60690 240.0 49.009 13.411 24.274 0.000 0.000 0.000 3/60690 250.0 46.839 12.755 23.192 0.000 0.000 0.000 3/60690 260.0 44.859 12.164 22.207 0.000 0.000 0.000 3/60690 270.0 43.046 11.627 21.308 0.000 0.000 0.000 3/60690 280.0 41.379 11.138 20.483 0.000 0.000 0.000 3/60690 290.0 39.841 10.690 19.724 0.000 0.000 0.000 3/60690 300.0 38.417 10.278 19.021 0.000 0.000 0.000 3/60690 310.0 37.094 9.899 18.370 0.000 0.000 0.000 3/60690 320.0 35.863 9.548 17.764 0.000 0.000 0.000 3/60690 330.0 34.713 9.222 17.199 0.000 0.000 0.000 3/60690 340.0 33.637 8.918 16.670 0.000 0.000 0.000 3/60690 350.0 32.627 8.635 16.174 0.000 0.000 0.000 3/60690 360.0 31.678 8.370 15.708 0.000 0.000 0.000 3/60690 370.0 30.785 8.121 15.270 0.000 0.000 0.000 3/60690 380.0 29.941 7.888 14.855 0.000 0.000 0.000 3/60690 390.0 29.144 7.667 14.464 0.000 0.000 0.000 3/60690 400.0 28.389 7.460 14.093 0.000 0.000 0.000 3/60690 410.0 27.673 7.264 13.742 0.000 0.000 0.000 3/60690 420.0 26.993 7.078 13.408 0.000 0.000 0.000 3/60690 430.0 26.347 6.901 13.090 0.000 0.000 0.000 3/60690 440.0 25.731 6.734 12.788 0.000 0.000 0.000 3/60690 450.0 25.144 6.575 12.499 0.000 0.000 0.000 3/60690 460.0 24.584 6.423 12.224 0.000 0.000 0.000 3/60690 470.0 24.049 6.279 11.960 0.000 0.000 0.000 3/60690 480.0 23.537 6.141 11.709 0.000 0.000 0.000 3/60690 490.0 23.046 6.009 11.467 0.000 0.000 0.000 3/60690 500.0 22.576 5.883 11.236 0.000 0.000 0.000 3/60690 510.0 22.125 5.762 11.014 0.000 0.000 0.000 3/60690 520.0 21.692 5.646 10.800 0.000 0.000 0.000 3/60690 530.0 21.276 5.535 10.595 0.000 0.000 0.000 3/60690 540.0 20.876 5.428 10.398 0.000 0.000 0.000 3/60690 550.0 20.491 5.325 10.208 0.000 0.000 0.000 3/60690 560.0 20.120 5.226 10.025 0.000 0.000 0.000 3/60690 570.0 19.762 5.131 9.848 0.000 0.000 0.000 3/60690 580.0 19.417 5.040 9.678 0.000 0.000 0.000 3/60690 590.0 19.084 4.951 9.513 0.000 0.000 0.000 3/60690 600.0 18.762 4.866 9.354 0.000 0.000 0.000 3/60690 610.0 18.451 4.784 9.201 0.000 0.000 0.000 3/60690 620.0 18.150 4.704 9.052 0.000 0.000 0.000 3/60690 630.0 17.859 4.628 8.908 0.000 0.000 0.000 3/60690 640.0 17.578 4.553 8.769 0.000 0.000 0.000 3/60690 650.0 17.305 4.481 8.634 0.000 0.000 0.000 3/60690 660.0 17.040 4.412 8.503 0.000 0.000 0.000 3/60690 670.0 16.784 4.344 8.376 0.000 0.000 0.000 3/60690 680.0 16.535 4.279 8.253 0.000 0.000 0.000 3/60690 690.0 16.294 4.215 8.133 0.000 0.000 0.000 3/60690 700.0 16.059 4.154 8.017 0.000 0.000 0.000 3/60690 710.0 15.832 4.094 7.904 0.000 0.000 0.000 3/60690 720.0 15.611 4.036 7.794 0.000 0.000 0.000 3/60690 730.0 15.395 3.979 7.688 0.000 0.000 0.000 3/60690 740.0 15.186 3.924 7.584 0.000 0.000 0.000 3/60690 750.0 14.983 3.871 7.483 0.000 0.000 0.000 3/60690 760.0 14.784 3.819 7.385 0.000 0.000 0.000 3/60690 770.0 14.592 3.769 7.289 0.000 0.000 0.000 3/60690 780.0 14.404 3.720 7.196 0.000 0.000 0.000 3/60690 790.0 14.220 3.672 7.105 0.000 0.000 0.000 3/60690 800.0 14.042 3.625 7.016 0.000 0.000 0.000 3/60690 810.0 13.868 3.580 6.930 0.000 0.000 0.000 3/60690 820.0 13.698 3.535 6.845 0.000 0.000 0.000 3/60690 830.0 13.533 3.492 6.763 0.000 0.000 0.000 3/60690 840.0 13.371 3.450 6.683 0.000 0.000 0.000 3/60690 850.0 13.213 3.409 6.604 0.000 0.000 0.000 3/60690 860.0 13.059 3.369 6.528 0.000 0.000 0.000 3/60690 870.0 12.908 3.329 6.453 0.000 0.000 0.000 3/60690 880.0 12.761 3.291 6.380 0.000 0.000 0.000 3/60690 890.0 12.618 3.254 6.308 0.000 0.000 0.000 3/60690 900.0 12.477 3.217 6.238 0.000 0.000 0.000 3/60690 910.0 12.340 3.181 6.170 0.000 0.000 0.000 3/60690 920.0 12.205 3.146 6.103 0.000 0.000 0.000 3/60690 930.0 12.074 3.112 6.038 0.000 0.000 0.000 3/60690 940.0 11.945 3.078 5.974 0.000 0.000 0.000 3/60690 950.0 11.819 3.046 5.911 0.000 0.000 0.000 3/60690 960.0 11.696 3.014 5.849 0.000 0.000 0.000 3/60690 970.0 11.575 2.982 5.789 0.000 0.000 0.000 3/60690 980.0 11.457 2.952 5.730 0.000 0.000 0.000 3/60690 990.0 11.341 2.921 5.673 0.000 0.000 0.000 3/60690 1000.0 11.227 2.892 5.616 0.000 0.000 0.000 3/60690 Thermal conductivity related properties were written into "kappa-m17177.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:28:50]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|