----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 06:41:19]------------------------- Compiled with OpenMP support (max 32 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 3 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) Number of symmetry operations in supercell: 324 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.091466824922489 1.207508934370168 5.519928229999994 b -2.091466824922485 1.207508934370168 5.519928229999994 c 0.000000000000002 -2.415017868740340 5.519928229999994 Atomic positions (fractional): *1 U 0.00000000000000 0.00000000000000 0.00000000000000 238.029 *2 O 0.10698809994286 0.10698809994286 0.10698809994286 15.999 3 O 0.89301190005714 0.89301190005714 0.89301190005714 15.999 *4 F 0.33428719957213 0.33428719957213 0.33428719957213 18.998 5 F 0.66571280042787 0.66571280042787 0.66571280042787 18.998 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.182933649844975 0.000000000000000 0.000000000000000 b -2.091466824922487 3.622526803110509 0.000000000000000 c 0.000000000000000 0.000000000000000 16.559784690000001 Atomic positions (fractional): *1 U 0.00000000000000 0.00000000000000 0.00000000000000 238.029 > 1 2 U 0.66666666666667 0.33333333333333 0.33333333333333 238.029 > 1 3 U 0.33333333333333 0.66666666666667 0.66666666666667 238.029 > 1 *4 O 0.33333333333333 0.66666666666667 0.77365476660953 15.999 > 2 5 O 0.00000000000000 0.00000000000000 0.89301190005714 15.999 > 3 6 O 0.00000000000000 0.00000000000000 0.10698809994286 15.999 > 2 7 O 0.66666666666667 0.33333333333333 0.22634523339047 15.999 > 3 8 O 0.66666666666667 0.33333333333333 0.44032143327619 15.999 > 2 9 O 0.33333333333333 0.66666666666667 0.55967856672381 15.999 > 3 *10 F 0.66666666666667 0.33333333333333 0.66762053290546 18.998 > 4 11 F 0.66666666666667 0.33333333333333 0.99904613376120 18.998 > 5 12 F 0.33333333333333 0.66666666666667 0.00095386623879 18.998 > 4 13 F 0.33333333333333 0.66666666666667 0.33237946709454 18.998 > 5 14 F 0.00000000000000 0.00000000000000 0.33428719957213 18.998 > 4 15 F 0.00000000000000 0.00000000000000 0.66571280042787 18.998 > 5 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.548800949534925 0.000000000000000 0.000000000000000 b -6.274400474767461 10.867580409331527 0.000000000000000 c 0.000000000000000 0.000000000000000 16.559784690000001 Atomic positions (fractional): *1 U 0.00000000000000 0.00000000000000 0.00000000000000 238.029 > 1 2 U 0.33333333333333 0.00000000000000 0.00000000000000 238.029 > 1 3 U 0.66666666666667 0.00000000000000 0.00000000000000 238.029 > 1 4 U 0.00000000000000 0.33333333333333 0.00000000000000 238.029 > 1 5 U 0.33333333333333 0.33333333333333 0.00000000000000 238.029 > 1 6 U 0.66666666666667 0.33333333333333 0.00000000000000 238.029 > 1 7 U 0.00000000000000 0.66666666666667 0.00000000000000 238.029 > 1 8 U 0.33333333333333 0.66666666666667 0.00000000000000 238.029 > 1 9 U 0.66666666666667 0.66666666666667 0.00000000000000 238.029 > 1 10 U 0.22222222222222 0.11111111111111 0.33333333333333 238.029 > 1 11 U 0.55555555555556 0.11111111111111 0.33333333333333 238.029 > 1 12 U 0.88888888888889 0.11111111111111 0.33333333333333 238.029 > 1 13 U 0.22222222222222 0.44444444444444 0.33333333333333 238.029 > 1 14 U 0.55555555555556 0.44444444444444 0.33333333333333 238.029 > 1 15 U 0.88888888888889 0.44444444444444 0.33333333333333 238.029 > 1 16 U 0.22222222222222 0.77777777777778 0.33333333333333 238.029 > 1 17 U 0.55555555555556 0.77777777777778 0.33333333333333 238.029 > 1 18 U 0.88888888888889 0.77777777777778 0.33333333333333 238.029 > 1 19 U 0.11111111111111 0.22222222222222 0.66666666666667 238.029 > 1 20 U 0.44444444444444 0.22222222222222 0.66666666666667 238.029 > 1 21 U 0.77777777777778 0.22222222222222 0.66666666666667 238.029 > 1 22 U 0.11111111111111 0.55555555555556 0.66666666666667 238.029 > 1 23 U 0.44444444444444 0.55555555555556 0.66666666666667 238.029 > 1 24 U 0.77777777777778 0.55555555555556 0.66666666666667 238.029 > 1 25 U 0.11111111111111 0.88888888888889 0.66666666666667 238.029 > 1 26 U 0.44444444444444 0.88888888888889 0.66666666666667 238.029 > 1 27 U 0.77777777777778 0.88888888888889 0.66666666666667 238.029 > 1 *28 O 0.11111111111111 0.22222222222222 0.77365476660953 15.999 > 2 29 O 0.44444444444444 0.22222222222222 0.77365476660953 15.999 > 2 30 O 0.77777777777778 0.22222222222222 0.77365476660953 15.999 > 2 31 O 0.11111111111111 0.55555555555556 0.77365476660953 15.999 > 2 32 O 0.44444444444444 0.55555555555556 0.77365476660953 15.999 > 2 33 O 0.77777777777778 0.55555555555556 0.77365476660953 15.999 > 2 34 O 0.11111111111111 0.88888888888889 0.77365476660953 15.999 > 2 35 O 0.44444444444444 0.88888888888889 0.77365476660953 15.999 > 2 36 O 0.77777777777778 0.88888888888889 0.77365476660953 15.999 > 2 37 O 0.00000000000000 0.00000000000000 0.89301190005714 15.999 > 3 38 O 0.33333333333333 0.00000000000000 0.89301190005714 15.999 > 3 39 O 0.66666666666667 0.00000000000000 0.89301190005714 15.999 > 3 40 O 0.00000000000000 0.33333333333333 0.89301190005714 15.999 > 3 41 O 0.33333333333333 0.33333333333333 0.89301190005714 15.999 > 3 42 O 0.66666666666667 0.33333333333333 0.89301190005714 15.999 > 3 43 O 0.00000000000000 0.66666666666667 0.89301190005714 15.999 > 3 44 O 0.33333333333333 0.66666666666667 0.89301190005714 15.999 > 3 45 O 0.66666666666667 0.66666666666667 0.89301190005714 15.999 > 3 46 O 0.00000000000000 0.00000000000000 0.10698809994286 15.999 > 2 47 O 0.33333333333333 0.00000000000000 0.10698809994286 15.999 > 2 48 O 0.66666666666667 0.00000000000000 0.10698809994286 15.999 > 2 49 O 0.00000000000000 0.33333333333333 0.10698809994286 15.999 > 2 50 O 0.33333333333333 0.33333333333333 0.10698809994286 15.999 > 2 51 O 0.66666666666667 0.33333333333333 0.10698809994286 15.999 > 2 52 O 0.00000000000000 0.66666666666667 0.10698809994286 15.999 > 2 53 O 0.33333333333333 0.66666666666667 0.10698809994286 15.999 > 2 54 O 0.66666666666667 0.66666666666667 0.10698809994286 15.999 > 2 55 O 0.22222222222222 0.11111111111111 0.22634523339047 15.999 > 3 56 O 0.55555555555556 0.11111111111111 0.22634523339047 15.999 > 3 57 O 0.88888888888889 0.11111111111111 0.22634523339047 15.999 > 3 58 O 0.22222222222222 0.44444444444444 0.22634523339047 15.999 > 3 59 O 0.55555555555556 0.44444444444444 0.22634523339047 15.999 > 3 60 O 0.88888888888889 0.44444444444444 0.22634523339047 15.999 > 3 61 O 0.22222222222222 0.77777777777778 0.22634523339047 15.999 > 3 62 O 0.55555555555556 0.77777777777778 0.22634523339047 15.999 > 3 63 O 0.88888888888889 0.77777777777778 0.22634523339047 15.999 > 3 64 O 0.22222222222222 0.11111111111111 0.44032143327619 15.999 > 2 65 O 0.55555555555556 0.11111111111111 0.44032143327619 15.999 > 2 66 O 0.88888888888889 0.11111111111111 0.44032143327619 15.999 > 2 67 O 0.22222222222222 0.44444444444444 0.44032143327619 15.999 > 2 68 O 0.55555555555556 0.44444444444444 0.44032143327619 15.999 > 2 69 O 0.88888888888889 0.44444444444444 0.44032143327619 15.999 > 2 70 O 0.22222222222222 0.77777777777778 0.44032143327619 15.999 > 2 71 O 0.55555555555556 0.77777777777778 0.44032143327619 15.999 > 2 72 O 0.88888888888889 0.77777777777778 0.44032143327619 15.999 > 2 73 O 0.11111111111111 0.22222222222222 0.55967856672381 15.999 > 3 74 O 0.44444444444444 0.22222222222222 0.55967856672381 15.999 > 3 75 O 0.77777777777778 0.22222222222222 0.55967856672381 15.999 > 3 76 O 0.11111111111111 0.55555555555556 0.55967856672381 15.999 > 3 77 O 0.44444444444444 0.55555555555556 0.55967856672381 15.999 > 3 78 O 0.77777777777778 0.55555555555556 0.55967856672381 15.999 > 3 79 O 0.11111111111111 0.88888888888889 0.55967856672381 15.999 > 3 80 O 0.44444444444444 0.88888888888889 0.55967856672381 15.999 > 3 81 O 0.77777777777778 0.88888888888889 0.55967856672381 15.999 > 3 *82 F 0.22222222222222 0.11111111111111 0.66762053290546 18.998 > 4 83 F 0.55555555555556 0.11111111111111 0.66762053290546 18.998 > 4 84 F 0.88888888888889 0.11111111111111 0.66762053290546 18.998 > 4 85 F 0.22222222222222 0.44444444444444 0.66762053290546 18.998 > 4 86 F 0.55555555555556 0.44444444444444 0.66762053290546 18.998 > 4 87 F 0.88888888888889 0.44444444444444 0.66762053290546 18.998 > 4 88 F 0.22222222222222 0.77777777777778 0.66762053290546 18.998 > 4 89 F 0.55555555555556 0.77777777777778 0.66762053290546 18.998 > 4 90 F 0.88888888888889 0.77777777777778 0.66762053290546 18.998 > 4 91 F 0.22222222222222 0.11111111111111 0.99904613376120 18.998 > 5 92 F 0.55555555555556 0.11111111111111 0.99904613376120 18.998 > 5 93 F 0.88888888888889 0.11111111111111 0.99904613376120 18.998 > 5 94 F 0.22222222222222 0.44444444444444 0.99904613376120 18.998 > 5 95 F 0.55555555555556 0.44444444444444 0.99904613376120 18.998 > 5 96 F 0.88888888888889 0.44444444444444 0.99904613376120 18.998 > 5 97 F 0.22222222222222 0.77777777777778 0.99904613376120 18.998 > 5 98 F 0.55555555555556 0.77777777777778 0.99904613376120 18.998 > 5 99 F 0.88888888888889 0.77777777777778 0.99904613376120 18.998 > 5 100 F 0.11111111111111 0.22222222222222 0.00095386623879 18.998 > 4 101 F 0.44444444444444 0.22222222222222 0.00095386623879 18.998 > 4 102 F 0.77777777777778 0.22222222222222 0.00095386623879 18.998 > 4 103 F 0.11111111111111 0.55555555555556 0.00095386623879 18.998 > 4 104 F 0.44444444444444 0.55555555555556 0.00095386623879 18.998 > 4 105 F 0.77777777777778 0.55555555555556 0.00095386623879 18.998 > 4 106 F 0.11111111111111 0.88888888888889 0.00095386623879 18.998 > 4 107 F 0.44444444444444 0.88888888888889 0.00095386623879 18.998 > 4 108 F 0.77777777777778 0.88888888888889 0.00095386623879 18.998 > 4 109 F 0.11111111111111 0.22222222222222 0.33237946709454 18.998 > 5 110 F 0.44444444444444 0.22222222222222 0.33237946709454 18.998 > 5 111 F 0.77777777777778 0.22222222222222 0.33237946709454 18.998 > 5 112 F 0.11111111111111 0.55555555555556 0.33237946709454 18.998 > 5 113 F 0.44444444444444 0.55555555555556 0.33237946709454 18.998 > 5 114 F 0.77777777777778 0.55555555555556 0.33237946709454 18.998 > 5 115 F 0.11111111111111 0.88888888888889 0.33237946709454 18.998 > 5 116 F 0.44444444444444 0.88888888888889 0.33237946709454 18.998 > 5 117 F 0.77777777777778 0.88888888888889 0.33237946709454 18.998 > 5 118 F 0.00000000000000 0.00000000000000 0.33428719957213 18.998 > 4 119 F 0.33333333333333 0.00000000000000 0.33428719957213 18.998 > 4 120 F 0.66666666666667 0.00000000000000 0.33428719957213 18.998 > 4 121 F 0.00000000000000 0.33333333333333 0.33428719957213 18.998 > 4 122 F 0.33333333333333 0.33333333333333 0.33428719957213 18.998 > 4 123 F 0.66666666666667 0.33333333333333 0.33428719957213 18.998 > 4 124 F 0.00000000000000 0.66666666666667 0.33428719957213 18.998 > 4 125 F 0.33333333333333 0.66666666666667 0.33428719957213 18.998 > 4 126 F 0.66666666666667 0.66666666666667 0.33428719957213 18.998 > 4 127 F 0.00000000000000 0.00000000000000 0.66571280042787 18.998 > 5 128 F 0.33333333333333 0.00000000000000 0.66571280042787 18.998 > 5 129 F 0.66666666666667 0.00000000000000 0.66571280042787 18.998 > 5 130 F 0.00000000000000 0.33333333333333 0.66571280042787 18.998 > 5 131 F 0.33333333333333 0.33333333333333 0.66571280042787 18.998 > 5 132 F 0.66666666666667 0.33333333333333 0.66571280042787 18.998 > 5 133 F 0.00000000000000 0.66666666666667 0.66571280042787 18.998 > 5 134 F 0.33333333333333 0.66666666666667 0.66571280042787 18.998 > 5 135 F 0.66666666666667 0.66666666666667 0.66571280042787 18.998 > 5 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.7269714 0.0000000 0.0000000 0.0000000 2.7269714 0.0000000 0.0000000 0.0000000 2.7086492 -------------------------- Born effective charges -------------------------- 1 U 4.8906459 0.0000000 0.0000000 0.0000000 4.8906459 0.0000000 0.0000000 0.0000000 4.3651465 2 O -0.5154199 0.0000000 0.0000000 0.0000000 -0.5154199 0.0000000 0.0000000 0.0000000 -1.9181487 3 O -0.5154199 0.0000000 0.0000000 0.0000000 -0.5154199 0.0000000 0.0000000 0.0000000 -1.9181487 4 F -1.9299031 0.0000000 0.0000000 0.0000000 -1.9299031 0.0000000 0.0000000 0.0000000 -0.2644246 5 F -1.9299031 0.0000000 0.0000000 0.0000000 -1.9299031 0.0000000 0.0000000 0.0000000 -0.2644246 ---------------------------------------------------------------------------- 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: 405/405 Permutation basis: 3939/3939 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 322 Number of blocks in projector: 282 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 144 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 100 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 78 Use standard eigh solver. Tree of FC basis block matrices: - (322, 316), data: False |-- (78, 75), data: True |-- (100, 100), data: True |-- (144, 141), data: True ----- Solver_atoms: 1 -- 135 / 135 Time (Solver_compr_matrix_reshape): 0.010 Solver_block: 80 / 80 - Time: 0.229 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.241 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 405/405 Permutation basis: 3939/3939 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 322 Number of blocks in projector: 282 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 144 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 100 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 78 Use standard eigh solver. Tree of FC basis block matrices: - (322, 316), data: False |-- (78, 75), data: True |-- (100, 100), data: True |-- (144, 141), 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 2026-01-08 06:41:25]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 06:41:25]------------------------- Compiled with OpenMP support (max 32 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 3 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.091466824922489 1.207508934370168 5.519928229999994 b -2.091466824922485 1.207508934370168 5.519928229999994 c 0.000000000000002 -2.415017868740340 5.519928229999994 Atomic positions (fractional): 1 U 0.00000000000000 0.00000000000000 0.00000000000000 238.029 2 O 0.10698809994286 0.10698809994286 0.10698809994286 15.999 3 O 0.89301190005714 0.89301190005714 0.89301190005714 15.999 4 F 0.33428719957213 0.33428719957213 0.33428719957213 18.998 5 F 0.66571280042787 0.66571280042787 0.66571280042787 18.998 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.548800949534925 0.000000000000000 0.000000000000000 b -6.274400474767461 10.867580409331527 0.000000000000000 c 0.000000000000000 0.000000000000000 16.559784690000001 Atomic positions (fractional): 1 U 0.00000000000000 0.00000000000000 0.00000000000000 238.029 > 1 2 U 0.33333333333333 0.00000000000000 0.00000000000000 238.029 > 1 3 U 0.66666666666667 0.00000000000000 0.00000000000000 238.029 > 1 4 U 0.00000000000000 0.33333333333333 0.00000000000000 238.029 > 1 5 U 0.33333333333333 0.33333333333333 0.00000000000000 238.029 > 1 6 U 0.66666666666667 0.33333333333333 0.00000000000000 238.029 > 1 7 U 0.00000000000000 0.66666666666667 0.00000000000000 238.029 > 1 8 U 0.33333333333333 0.66666666666667 0.00000000000000 238.029 > 1 9 U 0.66666666666667 0.66666666666667 0.00000000000000 238.029 > 1 10 U 0.22222222222222 0.11111111111111 0.33333333333333 238.029 > 1 11 U 0.55555555555556 0.11111111111111 0.33333333333333 238.029 > 1 12 U 0.88888888888889 0.11111111111111 0.33333333333333 238.029 > 1 13 U 0.22222222222222 0.44444444444444 0.33333333333333 238.029 > 1 14 U 0.55555555555556 0.44444444444444 0.33333333333333 238.029 > 1 15 U 0.88888888888889 0.44444444444444 0.33333333333333 238.029 > 1 16 U 0.22222222222222 0.77777777777778 0.33333333333333 238.029 > 1 17 U 0.55555555555556 0.77777777777778 0.33333333333333 238.029 > 1 18 U 0.88888888888889 0.77777777777778 0.33333333333333 238.029 > 1 19 U 0.11111111111111 0.22222222222222 0.66666666666667 238.029 > 1 20 U 0.44444444444444 0.22222222222222 0.66666666666667 238.029 > 1 21 U 0.77777777777778 0.22222222222222 0.66666666666667 238.029 > 1 22 U 0.11111111111111 0.55555555555556 0.66666666666667 238.029 > 1 23 U 0.44444444444444 0.55555555555556 0.66666666666667 238.029 > 1 24 U 0.77777777777778 0.55555555555556 0.66666666666667 238.029 > 1 25 U 0.11111111111111 0.88888888888889 0.66666666666667 238.029 > 1 26 U 0.44444444444444 0.88888888888889 0.66666666666667 238.029 > 1 27 U 0.77777777777778 0.88888888888889 0.66666666666667 238.029 > 1 28 O 0.11111111111111 0.22222222222222 0.77365476660953 15.999 > 28 29 O 0.44444444444444 0.22222222222222 0.77365476660953 15.999 > 28 30 O 0.77777777777778 0.22222222222222 0.77365476660953 15.999 > 28 31 O 0.11111111111111 0.55555555555556 0.77365476660953 15.999 > 28 32 O 0.44444444444444 0.55555555555556 0.77365476660953 15.999 > 28 33 O 0.77777777777778 0.55555555555556 0.77365476660953 15.999 > 28 34 O 0.11111111111111 0.88888888888889 0.77365476660953 15.999 > 28 35 O 0.44444444444444 0.88888888888889 0.77365476660953 15.999 > 28 36 O 0.77777777777778 0.88888888888889 0.77365476660953 15.999 > 28 37 O 0.00000000000000 0.00000000000000 0.89301190005714 15.999 > 37 38 O 0.33333333333333 0.00000000000000 0.89301190005714 15.999 > 37 39 O 0.66666666666667 0.00000000000000 0.89301190005714 15.999 > 37 40 O 0.00000000000000 0.33333333333333 0.89301190005714 15.999 > 37 41 O 0.33333333333333 0.33333333333333 0.89301190005714 15.999 > 37 42 O 0.66666666666667 0.33333333333333 0.89301190005714 15.999 > 37 43 O 0.00000000000000 0.66666666666667 0.89301190005714 15.999 > 37 44 O 0.33333333333333 0.66666666666667 0.89301190005714 15.999 > 37 45 O 0.66666666666667 0.66666666666667 0.89301190005714 15.999 > 37 46 O 0.00000000000000 0.00000000000000 0.10698809994286 15.999 > 28 47 O 0.33333333333333 0.00000000000000 0.10698809994286 15.999 > 28 48 O 0.66666666666667 0.00000000000000 0.10698809994286 15.999 > 28 49 O 0.00000000000000 0.33333333333333 0.10698809994286 15.999 > 28 50 O 0.33333333333333 0.33333333333333 0.10698809994286 15.999 > 28 51 O 0.66666666666667 0.33333333333333 0.10698809994286 15.999 > 28 52 O 0.00000000000000 0.66666666666667 0.10698809994286 15.999 > 28 53 O 0.33333333333333 0.66666666666667 0.10698809994286 15.999 > 28 54 O 0.66666666666667 0.66666666666667 0.10698809994286 15.999 > 28 55 O 0.22222222222222 0.11111111111111 0.22634523339047 15.999 > 37 56 O 0.55555555555556 0.11111111111111 0.22634523339047 15.999 > 37 57 O 0.88888888888889 0.11111111111111 0.22634523339047 15.999 > 37 58 O 0.22222222222222 0.44444444444444 0.22634523339047 15.999 > 37 59 O 0.55555555555556 0.44444444444444 0.22634523339047 15.999 > 37 60 O 0.88888888888889 0.44444444444444 0.22634523339047 15.999 > 37 61 O 0.22222222222222 0.77777777777778 0.22634523339047 15.999 > 37 62 O 0.55555555555556 0.77777777777778 0.22634523339047 15.999 > 37 63 O 0.88888888888889 0.77777777777778 0.22634523339047 15.999 > 37 64 O 0.22222222222222 0.11111111111111 0.44032143327619 15.999 > 28 65 O 0.55555555555556 0.11111111111111 0.44032143327619 15.999 > 28 66 O 0.88888888888889 0.11111111111111 0.44032143327619 15.999 > 28 67 O 0.22222222222222 0.44444444444444 0.44032143327619 15.999 > 28 68 O 0.55555555555556 0.44444444444444 0.44032143327619 15.999 > 28 69 O 0.88888888888889 0.44444444444444 0.44032143327619 15.999 > 28 70 O 0.22222222222222 0.77777777777778 0.44032143327619 15.999 > 28 71 O 0.55555555555556 0.77777777777778 0.44032143327619 15.999 > 28 72 O 0.88888888888889 0.77777777777778 0.44032143327619 15.999 > 28 73 O 0.11111111111111 0.22222222222222 0.55967856672381 15.999 > 37 74 O 0.44444444444444 0.22222222222222 0.55967856672381 15.999 > 37 75 O 0.77777777777778 0.22222222222222 0.55967856672381 15.999 > 37 76 O 0.11111111111111 0.55555555555556 0.55967856672381 15.999 > 37 77 O 0.44444444444444 0.55555555555556 0.55967856672381 15.999 > 37 78 O 0.77777777777778 0.55555555555556 0.55967856672381 15.999 > 37 79 O 0.11111111111111 0.88888888888889 0.55967856672381 15.999 > 37 80 O 0.44444444444444 0.88888888888889 0.55967856672381 15.999 > 37 81 O 0.77777777777778 0.88888888888889 0.55967856672381 15.999 > 37 82 F 0.22222222222222 0.11111111111111 0.66762053290546 18.998 > 82 83 F 0.55555555555556 0.11111111111111 0.66762053290546 18.998 > 82 84 F 0.88888888888889 0.11111111111111 0.66762053290546 18.998 > 82 85 F 0.22222222222222 0.44444444444444 0.66762053290546 18.998 > 82 86 F 0.55555555555556 0.44444444444444 0.66762053290546 18.998 > 82 87 F 0.88888888888889 0.44444444444444 0.66762053290546 18.998 > 82 88 F 0.22222222222222 0.77777777777778 0.66762053290546 18.998 > 82 89 F 0.55555555555556 0.77777777777778 0.66762053290546 18.998 > 82 90 F 0.88888888888889 0.77777777777778 0.66762053290546 18.998 > 82 91 F 0.22222222222222 0.11111111111111 0.99904613376120 18.998 > 91 92 F 0.55555555555556 0.11111111111111 0.99904613376120 18.998 > 91 93 F 0.88888888888889 0.11111111111111 0.99904613376120 18.998 > 91 94 F 0.22222222222222 0.44444444444444 0.99904613376120 18.998 > 91 95 F 0.55555555555556 0.44444444444444 0.99904613376120 18.998 > 91 96 F 0.88888888888889 0.44444444444444 0.99904613376120 18.998 > 91 97 F 0.22222222222222 0.77777777777778 0.99904613376120 18.998 > 91 98 F 0.55555555555556 0.77777777777778 0.99904613376120 18.998 > 91 99 F 0.88888888888889 0.77777777777778 0.99904613376120 18.998 > 91 100 F 0.11111111111111 0.22222222222222 0.00095386623879 18.998 > 82 101 F 0.44444444444444 0.22222222222222 0.00095386623879 18.998 > 82 102 F 0.77777777777778 0.22222222222222 0.00095386623879 18.998 > 82 103 F 0.11111111111111 0.55555555555556 0.00095386623879 18.998 > 82 104 F 0.44444444444444 0.55555555555556 0.00095386623879 18.998 > 82 105 F 0.77777777777778 0.55555555555556 0.00095386623879 18.998 > 82 106 F 0.11111111111111 0.88888888888889 0.00095386623879 18.998 > 82 107 F 0.44444444444444 0.88888888888889 0.00095386623879 18.998 > 82 108 F 0.77777777777778 0.88888888888889 0.00095386623879 18.998 > 82 109 F 0.11111111111111 0.22222222222222 0.33237946709454 18.998 > 91 110 F 0.44444444444444 0.22222222222222 0.33237946709454 18.998 > 91 111 F 0.77777777777778 0.22222222222222 0.33237946709454 18.998 > 91 112 F 0.11111111111111 0.55555555555556 0.33237946709454 18.998 > 91 113 F 0.44444444444444 0.55555555555556 0.33237946709454 18.998 > 91 114 F 0.77777777777778 0.55555555555556 0.33237946709454 18.998 > 91 115 F 0.11111111111111 0.88888888888889 0.33237946709454 18.998 > 91 116 F 0.44444444444444 0.88888888888889 0.33237946709454 18.998 > 91 117 F 0.77777777777778 0.88888888888889 0.33237946709454 18.998 > 91 118 F 0.00000000000000 0.00000000000000 0.33428719957213 18.998 > 82 119 F 0.33333333333333 0.00000000000000 0.33428719957213 18.998 > 82 120 F 0.66666666666667 0.00000000000000 0.33428719957213 18.998 > 82 121 F 0.00000000000000 0.33333333333333 0.33428719957213 18.998 > 82 122 F 0.33333333333333 0.33333333333333 0.33428719957213 18.998 > 82 123 F 0.66666666666667 0.33333333333333 0.33428719957213 18.998 > 82 124 F 0.00000000000000 0.66666666666667 0.33428719957213 18.998 > 82 125 F 0.33333333333333 0.66666666666667 0.33428719957213 18.998 > 82 126 F 0.66666666666667 0.66666666666667 0.33428719957213 18.998 > 82 127 F 0.00000000000000 0.00000000000000 0.66571280042787 18.998 > 91 128 F 0.33333333333333 0.00000000000000 0.66571280042787 18.998 > 91 129 F 0.66666666666667 0.00000000000000 0.66571280042787 18.998 > 91 130 F 0.00000000000000 0.33333333333333 0.66571280042787 18.998 > 91 131 F 0.33333333333333 0.33333333333333 0.66571280042787 18.998 > 91 132 F 0.66666666666667 0.33333333333333 0.66571280042787 18.998 > 91 133 F 0.00000000000000 0.66666666666667 0.66571280042787 18.998 > 91 134 F 0.33333333333333 0.66666666666667 0.66571280042787 18.998 > 91 135 F 0.66666666666667 0.66666666666667 0.66571280042787 18.998 > 91 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.7269714 0.0000000 0.0000000 0.0000000 2.7269714 0.0000000 0.0000000 0.0000000 2.7086492 -------------------------- Born effective charges -------------------------- 1 U 4.8906459 0.0000000 0.0000000 0.0000000 4.8906459 0.0000000 0.0000000 0.0000000 4.3651465 2 O -0.5154199 0.0000000 0.0000000 0.0000000 -0.5154199 0.0000000 0.0000000 0.0000000 -1.9181487 3 O -0.5154199 0.0000000 0.0000000 0.0000000 -0.5154199 0.0000000 0.0000000 0.0000000 -1.9181487 4 F -1.9299031 0.0000000 0.0000000 0.0000000 -1.9299031 0.0000000 0.0000000 0.0000000 -0.2644246 5 F -1.9299031 0.0000000 0.0000000 0.0000000 -1.9299031 0.0000000 0.0000000 0.0000000 -0.2644246 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 28, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 82, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 06:41:33]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 06:41:34]------------------------- Compiled with OpenMP support (max 32 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 3 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.091466824922489 1.207508934370168 5.519928229999994 b -2.091466824922485 1.207508934370168 5.519928229999994 c 0.000000000000002 -2.415017868740340 5.519928229999994 Atomic positions (fractional): 1 U 0.00000000000000 0.00000000000000 0.00000000000000 238.029 2 O 0.10698809994286 0.10698809994286 0.10698809994286 15.999 3 O 0.89301190005714 0.89301190005714 0.89301190005714 15.999 4 F 0.33428719957213 0.33428719957213 0.33428719957213 18.998 5 F 0.66571280042787 0.66571280042787 0.66571280042787 18.998 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.548800949534925 0.000000000000000 0.000000000000000 b -6.274400474767461 10.867580409331527 0.000000000000000 c 0.000000000000000 0.000000000000000 16.559784690000001 Atomic positions (fractional): 1 U 0.00000000000000 0.00000000000000 0.00000000000000 238.029 > 1 2 U 0.33333333333333 0.00000000000000 0.00000000000000 238.029 > 1 3 U 0.66666666666667 0.00000000000000 0.00000000000000 238.029 > 1 4 U 0.00000000000000 0.33333333333333 0.00000000000000 238.029 > 1 5 U 0.33333333333333 0.33333333333333 0.00000000000000 238.029 > 1 6 U 0.66666666666667 0.33333333333333 0.00000000000000 238.029 > 1 7 U 0.00000000000000 0.66666666666667 0.00000000000000 238.029 > 1 8 U 0.33333333333333 0.66666666666667 0.00000000000000 238.029 > 1 9 U 0.66666666666667 0.66666666666667 0.00000000000000 238.029 > 1 10 U 0.22222222222222 0.11111111111111 0.33333333333333 238.029 > 1 11 U 0.55555555555556 0.11111111111111 0.33333333333333 238.029 > 1 12 U 0.88888888888889 0.11111111111111 0.33333333333333 238.029 > 1 13 U 0.22222222222222 0.44444444444444 0.33333333333333 238.029 > 1 14 U 0.55555555555556 0.44444444444444 0.33333333333333 238.029 > 1 15 U 0.88888888888889 0.44444444444444 0.33333333333333 238.029 > 1 16 U 0.22222222222222 0.77777777777778 0.33333333333333 238.029 > 1 17 U 0.55555555555556 0.77777777777778 0.33333333333333 238.029 > 1 18 U 0.88888888888889 0.77777777777778 0.33333333333333 238.029 > 1 19 U 0.11111111111111 0.22222222222222 0.66666666666667 238.029 > 1 20 U 0.44444444444444 0.22222222222222 0.66666666666667 238.029 > 1 21 U 0.77777777777778 0.22222222222222 0.66666666666667 238.029 > 1 22 U 0.11111111111111 0.55555555555556 0.66666666666667 238.029 > 1 23 U 0.44444444444444 0.55555555555556 0.66666666666667 238.029 > 1 24 U 0.77777777777778 0.55555555555556 0.66666666666667 238.029 > 1 25 U 0.11111111111111 0.88888888888889 0.66666666666667 238.029 > 1 26 U 0.44444444444444 0.88888888888889 0.66666666666667 238.029 > 1 27 U 0.77777777777778 0.88888888888889 0.66666666666667 238.029 > 1 28 O 0.11111111111111 0.22222222222222 0.77365476660953 15.999 > 28 29 O 0.44444444444444 0.22222222222222 0.77365476660953 15.999 > 28 30 O 0.77777777777778 0.22222222222222 0.77365476660953 15.999 > 28 31 O 0.11111111111111 0.55555555555556 0.77365476660953 15.999 > 28 32 O 0.44444444444444 0.55555555555556 0.77365476660953 15.999 > 28 33 O 0.77777777777778 0.55555555555556 0.77365476660953 15.999 > 28 34 O 0.11111111111111 0.88888888888889 0.77365476660953 15.999 > 28 35 O 0.44444444444444 0.88888888888889 0.77365476660953 15.999 > 28 36 O 0.77777777777778 0.88888888888889 0.77365476660953 15.999 > 28 37 O 0.00000000000000 0.00000000000000 0.89301190005714 15.999 > 37 38 O 0.33333333333333 0.00000000000000 0.89301190005714 15.999 > 37 39 O 0.66666666666667 0.00000000000000 0.89301190005714 15.999 > 37 40 O 0.00000000000000 0.33333333333333 0.89301190005714 15.999 > 37 41 O 0.33333333333333 0.33333333333333 0.89301190005714 15.999 > 37 42 O 0.66666666666667 0.33333333333333 0.89301190005714 15.999 > 37 43 O 0.00000000000000 0.66666666666667 0.89301190005714 15.999 > 37 44 O 0.33333333333333 0.66666666666667 0.89301190005714 15.999 > 37 45 O 0.66666666666667 0.66666666666667 0.89301190005714 15.999 > 37 46 O 0.00000000000000 0.00000000000000 0.10698809994286 15.999 > 28 47 O 0.33333333333333 0.00000000000000 0.10698809994286 15.999 > 28 48 O 0.66666666666667 0.00000000000000 0.10698809994286 15.999 > 28 49 O 0.00000000000000 0.33333333333333 0.10698809994286 15.999 > 28 50 O 0.33333333333333 0.33333333333333 0.10698809994286 15.999 > 28 51 O 0.66666666666667 0.33333333333333 0.10698809994286 15.999 > 28 52 O 0.00000000000000 0.66666666666667 0.10698809994286 15.999 > 28 53 O 0.33333333333333 0.66666666666667 0.10698809994286 15.999 > 28 54 O 0.66666666666667 0.66666666666667 0.10698809994286 15.999 > 28 55 O 0.22222222222222 0.11111111111111 0.22634523339047 15.999 > 37 56 O 0.55555555555556 0.11111111111111 0.22634523339047 15.999 > 37 57 O 0.88888888888889 0.11111111111111 0.22634523339047 15.999 > 37 58 O 0.22222222222222 0.44444444444444 0.22634523339047 15.999 > 37 59 O 0.55555555555556 0.44444444444444 0.22634523339047 15.999 > 37 60 O 0.88888888888889 0.44444444444444 0.22634523339047 15.999 > 37 61 O 0.22222222222222 0.77777777777778 0.22634523339047 15.999 > 37 62 O 0.55555555555556 0.77777777777778 0.22634523339047 15.999 > 37 63 O 0.88888888888889 0.77777777777778 0.22634523339047 15.999 > 37 64 O 0.22222222222222 0.11111111111111 0.44032143327619 15.999 > 28 65 O 0.55555555555556 0.11111111111111 0.44032143327619 15.999 > 28 66 O 0.88888888888889 0.11111111111111 0.44032143327619 15.999 > 28 67 O 0.22222222222222 0.44444444444444 0.44032143327619 15.999 > 28 68 O 0.55555555555556 0.44444444444444 0.44032143327619 15.999 > 28 69 O 0.88888888888889 0.44444444444444 0.44032143327619 15.999 > 28 70 O 0.22222222222222 0.77777777777778 0.44032143327619 15.999 > 28 71 O 0.55555555555556 0.77777777777778 0.44032143327619 15.999 > 28 72 O 0.88888888888889 0.77777777777778 0.44032143327619 15.999 > 28 73 O 0.11111111111111 0.22222222222222 0.55967856672381 15.999 > 37 74 O 0.44444444444444 0.22222222222222 0.55967856672381 15.999 > 37 75 O 0.77777777777778 0.22222222222222 0.55967856672381 15.999 > 37 76 O 0.11111111111111 0.55555555555556 0.55967856672381 15.999 > 37 77 O 0.44444444444444 0.55555555555556 0.55967856672381 15.999 > 37 78 O 0.77777777777778 0.55555555555556 0.55967856672381 15.999 > 37 79 O 0.11111111111111 0.88888888888889 0.55967856672381 15.999 > 37 80 O 0.44444444444444 0.88888888888889 0.55967856672381 15.999 > 37 81 O 0.77777777777778 0.88888888888889 0.55967856672381 15.999 > 37 82 F 0.22222222222222 0.11111111111111 0.66762053290546 18.998 > 82 83 F 0.55555555555556 0.11111111111111 0.66762053290546 18.998 > 82 84 F 0.88888888888889 0.11111111111111 0.66762053290546 18.998 > 82 85 F 0.22222222222222 0.44444444444444 0.66762053290546 18.998 > 82 86 F 0.55555555555556 0.44444444444444 0.66762053290546 18.998 > 82 87 F 0.88888888888889 0.44444444444444 0.66762053290546 18.998 > 82 88 F 0.22222222222222 0.77777777777778 0.66762053290546 18.998 > 82 89 F 0.55555555555556 0.77777777777778 0.66762053290546 18.998 > 82 90 F 0.88888888888889 0.77777777777778 0.66762053290546 18.998 > 82 91 F 0.22222222222222 0.11111111111111 0.99904613376120 18.998 > 91 92 F 0.55555555555556 0.11111111111111 0.99904613376120 18.998 > 91 93 F 0.88888888888889 0.11111111111111 0.99904613376120 18.998 > 91 94 F 0.22222222222222 0.44444444444444 0.99904613376120 18.998 > 91 95 F 0.55555555555556 0.44444444444444 0.99904613376120 18.998 > 91 96 F 0.88888888888889 0.44444444444444 0.99904613376120 18.998 > 91 97 F 0.22222222222222 0.77777777777778 0.99904613376120 18.998 > 91 98 F 0.55555555555556 0.77777777777778 0.99904613376120 18.998 > 91 99 F 0.88888888888889 0.77777777777778 0.99904613376120 18.998 > 91 100 F 0.11111111111111 0.22222222222222 0.00095386623879 18.998 > 82 101 F 0.44444444444444 0.22222222222222 0.00095386623879 18.998 > 82 102 F 0.77777777777778 0.22222222222222 0.00095386623879 18.998 > 82 103 F 0.11111111111111 0.55555555555556 0.00095386623879 18.998 > 82 104 F 0.44444444444444 0.55555555555556 0.00095386623879 18.998 > 82 105 F 0.77777777777778 0.55555555555556 0.00095386623879 18.998 > 82 106 F 0.11111111111111 0.88888888888889 0.00095386623879 18.998 > 82 107 F 0.44444444444444 0.88888888888889 0.00095386623879 18.998 > 82 108 F 0.77777777777778 0.88888888888889 0.00095386623879 18.998 > 82 109 F 0.11111111111111 0.22222222222222 0.33237946709454 18.998 > 91 110 F 0.44444444444444 0.22222222222222 0.33237946709454 18.998 > 91 111 F 0.77777777777778 0.22222222222222 0.33237946709454 18.998 > 91 112 F 0.11111111111111 0.55555555555556 0.33237946709454 18.998 > 91 113 F 0.44444444444444 0.55555555555556 0.33237946709454 18.998 > 91 114 F 0.77777777777778 0.55555555555556 0.33237946709454 18.998 > 91 115 F 0.11111111111111 0.88888888888889 0.33237946709454 18.998 > 91 116 F 0.44444444444444 0.88888888888889 0.33237946709454 18.998 > 91 117 F 0.77777777777778 0.88888888888889 0.33237946709454 18.998 > 91 118 F 0.00000000000000 0.00000000000000 0.33428719957213 18.998 > 82 119 F 0.33333333333333 0.00000000000000 0.33428719957213 18.998 > 82 120 F 0.66666666666667 0.00000000000000 0.33428719957213 18.998 > 82 121 F 0.00000000000000 0.33333333333333 0.33428719957213 18.998 > 82 122 F 0.33333333333333 0.33333333333333 0.33428719957213 18.998 > 82 123 F 0.66666666666667 0.33333333333333 0.33428719957213 18.998 > 82 124 F 0.00000000000000 0.66666666666667 0.33428719957213 18.998 > 82 125 F 0.33333333333333 0.66666666666667 0.33428719957213 18.998 > 82 126 F 0.66666666666667 0.66666666666667 0.33428719957213 18.998 > 82 127 F 0.00000000000000 0.00000000000000 0.66571280042787 18.998 > 91 128 F 0.33333333333333 0.00000000000000 0.66571280042787 18.998 > 91 129 F 0.66666666666667 0.00000000000000 0.66571280042787 18.998 > 91 130 F 0.00000000000000 0.33333333333333 0.66571280042787 18.998 > 91 131 F 0.33333333333333 0.33333333333333 0.66571280042787 18.998 > 91 132 F 0.66666666666667 0.33333333333333 0.66571280042787 18.998 > 91 133 F 0.00000000000000 0.66666666666667 0.66571280042787 18.998 > 91 134 F 0.33333333333333 0.66666666666667 0.66571280042787 18.998 > 91 135 F 0.66666666666667 0.66666666666667 0.66571280042787 18.998 > 91 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.7269714 0.0000000 0.0000000 0.0000000 2.7269714 0.0000000 0.0000000 0.0000000 2.7086492 -------------------------- Born effective charges -------------------------- 1 U 4.8906459 0.0000000 0.0000000 0.0000000 4.8906459 0.0000000 0.0000000 0.0000000 4.3651465 2 O -0.5154199 0.0000000 0.0000000 0.0000000 -0.5154199 0.0000000 0.0000000 0.0000000 -1.9181487 3 O -0.5154199 0.0000000 0.0000000 0.0000000 -0.5154199 0.0000000 0.0000000 0.0000000 -1.9181487 4 F -1.9299031 0.0000000 0.0000000 0.0000000 -1.9299031 0.0000000 0.0000000 0.0000000 -0.2644246 5 F -1.9299031 0.0000000 0.0000000 0.0000000 -1.9299031 0.0000000 0.0000000 0.0000000 -0.2644246 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 14 14 14 ] 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: 0.95, Number of G-points: 287, Lambda: 0.16 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/288) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 288 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 2.540 ( 0.000 0.000 0.000) 0.000 4.758 ( 0.000 0.000 0.000) 0.000 4.758 ( 0.000 0.000 0.000) 0.000 6.147 ( 0.000 0.000 0.000) 0.000 6.147 ( 0.000 0.000 0.000) 0.000 6.273 ( 0.000 0.000 0.000) 0.000 7.194 ( 0.000 0.000 0.000) 0.000 7.194 ( 0.000 0.000 0.000) 0.000 13.024 ( 0.000 0.000 0.000) 0.000 13.024 ( 0.000 0.000 0.000) 0.000 28.010 ( 0.000 0.000 0.000) 0.000 29.993 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/288) ======================= q-point: ( 0.07 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.194 ( 8.088 4.669 2.101) 9.572 0.473 ( 20.961 12.102 -2.263) 24.310 0.995 ( 42.352 24.452 1.948) 48.943 2.620 ( 6.657 3.843 -0.071) 7.687 4.618 ( -10.905 -6.296 -3.082) 12.964 4.766 ( 0.555 0.320 0.895) 1.101 6.147 ( 0.128 0.074 -0.515) 0.536 6.340 ( 4.783 2.762 0.556) 5.551 6.373 ( 4.001 2.310 1.102) 4.749 7.169 ( -2.031 -1.173 -0.169) 2.352 11.951 ( 3.696 2.134 -83.739) 83.848 13.022 ( -0.188 -0.108 -0.197) 0.293 13.056 ( 4.555 2.630 -10.052) 11.345 27.985 ( -1.715 -0.990 -2.212) 2.969 30.089 ( -7.356 -4.247 41.580) 42.438 ======================= Grid point 2 (3/288) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.385 ( 8.115 4.685 0.764) 9.401 0.930 ( 19.909 11.494 -2.018) 23.077 1.924 ( 38.095 21.994 1.796) 44.025 2.813 ( 9.311 5.376 -0.150) 10.753 4.288 ( -15.330 -8.851 -4.521) 18.270 4.790 ( 1.026 0.593 1.603) 1.993 6.148 ( 0.216 0.125 -0.956) 0.988 6.454 ( 5.268 3.042 1.075) 6.177 6.522 ( 7.499 4.330 1.363) 8.766 7.108 ( -2.963 -1.711 -0.212) 3.428 11.555 ( -16.151 -9.325 -32.194) 37.205 13.007 ( -1.245 -0.719 -0.292) 1.467 13.137 ( 6.804 3.928 -13.110) 15.283 27.917 ( -2.976 -1.718 -3.867) 5.173 30.106 ( -3.487 -2.013 23.344) 23.689 ======================= Grid point 3 (4/288) ======================= q-point: ( 0.21 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.569 ( 8.232 4.753 -1.744) 9.665 1.357 ( 18.146 10.477 -1.477) 21.005 2.720 ( 29.933 17.282 1.330) 34.589 2.968 ( 2.681 1.548 -0.568) 3.148 3.966 ( -8.631 -4.983 -3.705) 10.633 4.825 ( 1.329 0.767 1.983) 2.508 6.148 ( 0.222 0.128 -1.258) 1.284 6.584 ( 5.405 3.121 0.598) 6.270 6.706 ( 8.118 4.687 1.561) 9.503 7.043 ( -2.531 -1.461 -0.133) 2.926 10.961 ( -26.393 -15.238 -15.149) 34.034 12.957 ( -3.146 -1.817 -0.243) 3.641 13.247 ( 7.463 4.309 -11.754) 14.575 27.823 ( -3.509 -2.026 -4.624) 6.149 30.130 ( -2.117 -1.222 17.382) 17.553 ======================= Grid point 4 (5/288) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.745 ( 8.633 4.984 -5.527) 11.398 1.737 ( 15.460 8.926 -0.717) 17.866 2.753 ( -15.878 -9.167 -2.082) 18.452 3.378 ( 23.187 13.387 1.845) 26.838 3.945 ( 6.387 3.688 -1.170) 7.468 4.865 ( 1.385 0.800 1.973) 2.540 6.147 ( 0.138 0.080 -1.349) 1.359 6.688 ( 3.494 2.017 -0.227) 4.041 6.907 ( 8.818 5.091 1.628) 10.311 6.998 ( -1.297 -0.749 -0.042) 1.498 10.258 ( -30.247 -17.463 -6.964) 35.613 12.863 ( -4.924 -2.843 -0.100) 5.687 13.369 ( 6.919 3.995 -8.734) 11.837 27.724 ( -3.291 -1.900 -4.419) 5.829 30.158 ( -1.350 -0.780 13.490) 13.580 ======================= Grid point 5 (6/288) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.919 ( 9.668 5.582 -9.870) 14.901 2.045 ( 11.511 6.646 -0.061) 13.291 2.304 ( -21.289 -12.291 0.320) 24.584 3.821 ( 14.980 8.649 1.613) 17.373 4.138 ( 9.055 5.228 -0.105) 10.456 4.903 ( 1.153 0.666 1.579) 2.065 6.143 ( 0.032 0.019 -1.150) 1.150 6.742 ( 1.512 0.873 -0.612) 1.850 6.983 ( -0.132 -0.076 -0.022) 0.154 7.108 ( 7.849 4.532 1.247) 9.149 9.574 ( -26.810 -15.479 -2.651) 31.071 12.743 ( -5.292 -3.056 0.028) 6.111 13.479 ( 5.279 3.048 -5.450) 8.177 27.641 ( -2.485 -1.434 -3.404) 4.452 30.183 ( -0.810 -0.468 9.545) 9.591 ======================= Grid point 6 (7/288) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.109 ( 11.250 6.495 -12.047) 17.716 1.844 ( -19.135 -11.048 4.901) 22.632 2.249 ( 6.205 3.582 0.170) 7.167 4.077 ( 7.085 4.090 0.989) 8.240 4.311 ( 5.574 3.218 0.129) 6.438 4.929 ( 0.656 0.379 0.876) 1.158 6.139 ( -0.014 -0.008 -0.659) 0.660 6.759 ( 0.380 0.219 -0.484) 0.653 6.986 ( 0.299 0.173 -0.029) 0.346 7.257 ( 4.580 2.644 0.666) 5.331 9.069 ( -15.840 -9.145 -0.703) 18.304 12.639 ( -3.488 -2.014 0.058) 4.028 13.555 ( 2.836 1.637 -2.534) 4.140 27.585 ( -1.320 -0.762 -1.838) 2.387 30.202 ( -0.379 -0.219 5.003) 5.023 ======================= Grid point 7 (8/288) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.270 ( 0.000 0.000 -0.000) 0.000 1.571 ( -0.000 -0.000 0.000) 0.000 2.322 ( 0.000 0.000 0.000) 0.000 4.159 ( 0.000 0.000 0.000) 0.000 4.376 ( 0.000 0.000 0.000) 0.000 4.939 ( 0.000 0.000 0.000) 0.000 6.138 ( 0.000 0.000 0.000) 0.000 6.762 ( 0.000 0.000 0.000) 0.000 6.990 ( 0.000 0.000 0.000) 0.000 7.312 ( 0.000 0.000 0.000) 0.000 8.882 ( 0.000 0.000 0.000) 0.000 12.597 ( 0.000 0.000 0.000) 0.000 13.582 ( 0.000 0.000 0.000) 0.000 27.566 ( 0.000 0.000 0.000) 0.000 30.208 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 16 (9/288) ======================= q-point: ( 0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.215 ( -0.000 9.052 4.825) 10.258 0.517 ( 0.000 23.863 4.336) 24.253 0.978 ( 0.000 48.786 -0.591) 48.790 2.619 ( 0.000 7.664 -0.178) 7.666 4.637 ( -0.000 -11.405 -0.187) 11.407 4.729 ( 0.000 -0.781 -4.775) 4.839 6.172 ( -0.000 1.074 3.206) 3.382 6.331 ( 0.000 5.427 -0.724) 5.475 6.369 ( 0.000 4.222 0.309) 4.233 7.172 ( -0.000 -2.190 0.303) 2.211 11.455 ( 0.000 51.103 -139.730) 148.782 13.010 ( 0.000 2.284 -7.829) 8.156 13.025 ( -0.000 -0.128 0.169) 0.212 27.974 ( 0.000 -2.411 -2.670) 3.597 30.320 ( -0.000 -25.169 61.285) 66.252 ======================= Grid point 17 (10/288) ======================= q-point: ( 0.14 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.357 ( 3.558 8.461 3.481) 9.817 0.847 ( 9.268 22.427 1.093) 24.291 1.672 ( 23.952 38.176 0.811) 45.075 2.756 ( 5.520 9.470 -0.266) 10.965 4.382 ( -11.551 -13.951 -3.105) 18.376 4.752 ( 4.053 -0.747 -3.066) 5.136 6.174 ( -1.969 1.855 2.229) 3.505 6.443 ( 3.079 5.175 0.900) 6.089 6.451 ( 5.411 5.877 0.635) 8.014 7.119 ( -2.593 -3.670 0.286) 4.503 11.437 ( 5.459 9.625 -67.666) 68.565 12.813 ( -5.901 -10.587 -0.070) 12.120 13.197 ( 6.584 11.055 -10.597) 16.669 27.916 ( -1.668 -3.039 -4.224) 5.464 30.276 ( -5.900 -10.012 36.223) 38.042 ======================= Grid point 18 (11/288) ======================= q-point: ( 0.21 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.518 ( 4.569 7.803 0.799) 9.077 1.248 ( 12.170 20.191 -0.258) 23.576 2.446 ( 26.626 27.584 1.316) 38.361 2.949 ( 5.091 8.100 -0.573) 9.585 4.008 ( -11.454 -15.358 -3.605) 19.496 4.813 ( 3.597 2.129 -1.997) 4.632 6.170 ( -1.637 2.116 1.390) 3.015 6.557 ( 3.171 6.049 0.674) 6.863 6.622 ( 7.709 4.482 1.414) 9.029 7.029 ( -2.059 -6.130 0.359) 6.477 11.171 ( -15.286 -2.485 -31.370) 34.985 12.642 ( 5.098 -21.569 -1.670) 22.226 13.359 ( 1.876 16.859 -10.946) 20.188 27.828 ( -2.508 -3.150 -5.227) 6.598 30.252 ( -4.154 -4.444 24.667) 25.406 ======================= Grid point 19 (12/288) ======================= q-point: ( 0.29 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.670 ( 4.988 7.615 -3.144) 9.631 1.643 ( 11.553 18.421 -0.230) 21.745 2.931 ( -8.989 1.797 -1.775) 9.337 3.141 ( 21.177 16.976 1.381) 27.176 3.776 ( 4.677 -12.128 -1.299) 13.063 4.898 ( 2.090 6.683 -1.636) 7.190 6.171 ( -1.591 2.416 1.074) 3.086 6.658 ( 2.633 3.455 0.214) 4.349 6.814 ( 8.406 4.841 1.444) 9.807 6.942 ( 0.579 -8.518 0.424) 8.548 10.637 ( -29.622 -5.621 -13.832) 33.172 12.533 ( 11.146 -28.081 -2.364) 30.305 13.503 ( -1.203 20.042 -9.086) 22.038 27.730 ( -2.583 -2.834 -5.217) 6.475 30.251 ( -3.078 -2.492 18.475) 18.895 ======================= Grid point 20 (13/288) ======================= q-point: ( 0.36 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.815 ( 5.787 8.283 -7.920) 12.838 1.991 ( 8.700 16.520 0.224) 18.672 2.583 ( -22.264 -6.631 -0.821) 23.245 3.637 ( 17.829 10.666 1.539) 20.833 3.864 ( 15.456 -11.061 0.158) 19.007 4.999 ( -0.482 12.181 -1.669) 12.304 6.172 ( -1.779 2.773 1.127) 3.482 6.715 ( 1.763 0.415 -0.088) 1.813 6.872 ( 3.346 -10.884 0.476) 11.397 7.024 ( 8.637 4.409 0.891) 9.738 9.989 ( -33.469 -5.004 -5.443) 34.276 12.435 ( 12.134 -30.528 -1.610) 32.891 13.634 ( -3.491 21.142 -6.380) 22.358 27.644 ( -2.022 -2.192 -4.335) 5.262 30.253 ( -2.524 -1.649 13.604) 13.934 ======================= Grid point 21 (14/288) ======================= q-point: ( 0.43 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.977 ( 7.790 10.367 -11.228) 17.153 2.121 ( -21.612 -7.464 2.962) 23.055 2.259 ( 3.256 14.019 0.551) 14.403 3.962 ( 11.240 3.813 1.090) 11.919 4.012 ( 16.044 -15.118 0.184) 22.045 5.098 ( -4.098 16.872 -1.883) 17.465 6.174 ( -2.020 3.091 1.485) 3.980 6.732 ( 1.396 -1.805 -0.068) 2.283 6.832 ( 6.169 -13.797 0.212) 15.115 7.199 ( 6.702 3.073 0.355) 7.382 9.409 ( -27.988 -0.164 -1.594) 28.034 12.338 ( 12.587 -30.369 -0.780) 32.883 13.740 ( -5.899 20.712 -3.646) 21.842 27.585 ( -1.027 -1.389 -2.869) 3.349 30.247 ( -2.194 -1.215 8.763) 9.115 ======================= Grid point 22 (15/288) ======================= q-point: ( 0.50 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.204 ( 10.093 13.145 -8.746) 18.739 1.729 ( -17.296 -6.030 5.980) 19.268 2.399 ( -2.235 10.993 0.459) 11.227 4.092 ( 12.882 -17.723 -0.332) 21.913 4.118 ( 5.555 -2.885 0.240) 6.264 5.163 ( -8.252 18.715 -2.194) 20.571 6.177 ( -2.189 3.237 2.010) 4.394 6.734 ( 1.550 -2.752 0.223) 3.166 6.812 ( 8.403 -15.697 -0.012) 17.804 7.301 ( 2.771 0.567 -0.214) 2.837 9.066 ( -15.203 8.177 -0.113) 17.262 12.273 ( 14.614 -28.715 -0.227) 32.220 13.804 ( -8.574 19.399 -1.364) 21.253 27.559 ( 0.204 -0.571 -1.135) 1.286 30.229 ( -1.910 -0.921 3.775) 4.330 ======================= Grid point 23 (16/288) ======================= q-point: (-0.43 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.323 ( -11.825 -0.588 9.519) 15.192 1.656 ( 13.027 11.918 -5.121) 18.384 2.398 ( -8.642 7.293 0.236) 11.311 4.089 ( 9.174 -20.479 -0.764) 22.453 4.111 ( -1.009 -6.196 -0.889) 6.340 5.160 ( -11.507 17.123 -2.531) 20.785 6.181 ( -2.221 3.071 2.494) 4.537 6.736 ( 1.776 -2.922 0.579) 3.468 6.811 ( 9.317 -15.112 -0.156) 17.754 7.298 ( -2.032 -2.137 -0.760) 3.045 9.070 ( 0.834 17.487 0.489) 17.514 12.276 ( 17.721 -26.745 0.139) 32.083 13.817 ( -11.138 17.659 0.499) 20.883 27.571 ( 1.518 0.161 0.580) 1.633 30.197 ( -1.570 -0.650 -1.000) 1.972 ======================= Grid point 24 (17/288) ======================= q-point: (-0.36 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.110 ( -12.933 -3.511 9.261) 16.290 2.094 ( 19.309 16.738 -0.984) 25.573 2.257 ( -13.917 4.053 0.221) 14.497 3.946 ( -9.466 -7.711 -1.369) 12.286 4.003 ( 5.658 -22.010 -1.208) 22.758 5.092 ( -12.208 13.108 -2.769) 18.125 6.183 ( -2.100 2.573 2.737) 4.304 6.738 ( 1.053 -2.603 0.739) 2.904 6.830 ( 8.778 -12.273 -0.195) 15.090 7.189 ( -6.205 -4.211 -1.249) 7.602 9.428 ( 15.205 24.876 1.347) 29.186 12.346 ( 20.172 -25.537 0.477) 32.546 13.779 ( -13.140 15.744 2.189) 20.623 27.618 ( 2.770 0.735 2.013) 3.502 30.155 ( -1.142 -0.372 -5.021) 5.163 ======================= Grid point 25 (18/288) ======================= q-point: (-0.29 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.903 ( -11.393 -3.152 5.919) 13.220 1.994 ( -18.435 0.599 0.633) 18.455 2.602 ( 17.848 16.807 2.124) 24.608 3.616 ( -18.308 -9.943 -1.634) 20.898 3.858 ( 2.842 -19.498 -0.770) 19.719 4.991 ( -10.163 8.170 -2.823) 13.341 6.183 ( -1.879 1.868 2.624) 3.729 6.719 ( -1.325 -1.692 0.620) 2.237 6.867 ( 7.627 -8.565 -0.256) 11.471 7.008 ( -8.159 -5.192 -1.514) 9.788 10.046 ( 23.825 28.092 3.183) 36.972 12.451 ( 20.712 -25.174 0.850) 32.611 13.702 ( -14.236 13.687 3.733) 20.098 27.694 ( 3.772 1.078 2.900) 4.879 30.109 ( -0.668 -0.125 -7.830) 7.859 ======================= Grid point 26 (19/288) ======================= q-point: (-0.21 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.707 ( -10.581 -2.556 2.723) 11.221 1.651 ( -21.385 -1.292 1.100) 21.453 2.956 ( 1.387 7.878 2.034) 8.254 3.122 ( -24.748 -8.957 -1.591) 26.367 3.791 ( 10.464 -10.458 0.966) 14.826 4.892 ( -6.797 3.729 -2.544) 8.159 6.178 ( -1.581 1.142 2.135) 2.892 6.658 ( -4.754 -0.633 0.153) 4.799 6.793 ( -8.361 -4.688 -1.668) 9.729 6.940 ( 7.176 -5.088 0.066) 8.797 10.768 ( 25.614 25.994 6.030) 36.988 12.556 ( 19.329 -23.889 1.045) 30.747 13.598 ( -14.284 11.105 4.732) 18.702 27.788 ( 4.286 1.100 2.978) 5.334 30.064 ( -0.262 0.023 -9.093) 9.097 ======================= Grid point 27 (20/288) ======================= q-point: (-0.14 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.515 ( -10.244 -1.725 0.595) 10.405 1.257 ( -23.295 -1.855 1.146) 23.397 2.432 ( -37.515 -8.581 -0.902) 38.494 2.954 ( -9.844 -0.445 0.183) 9.855 4.046 ( 20.317 0.862 2.185) 20.453 4.815 ( -3.635 0.808 -1.701) 4.094 6.170 ( -1.180 0.522 1.272) 1.812 6.550 ( -7.350 0.595 -0.424) 7.386 6.606 ( -7.639 -3.981 -0.912) 8.662 7.027 ( 6.475 -1.658 0.121) 6.685 11.436 ( 22.735 17.100 8.440) 29.673 12.658 ( 16.582 -17.254 0.541) 23.936 13.472 ( -13.440 7.079 4.307) 15.789 27.881 ( 4.104 0.735 2.033) 4.638 30.023 ( -0.123 0.027 -8.057) 8.058 ======================= Grid point 28 (21/288) ======================= q-point: (-0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.332 ( -10.023 0.000 0.000) 10.023 0.840 ( -24.320 0.000 0.000) 24.320 1.667 ( -45.206 0.000 0.000) 45.206 2.758 ( -10.982 0.000 0.000) 10.982 4.403 ( 18.259 -0.000 -0.000) 18.259 4.772 ( -1.356 0.000 0.000) 1.356 6.159 ( -0.716 0.000 0.000) 0.716 6.436 ( -6.079 0.000 0.000) 6.079 6.447 ( -7.828 0.000 0.000) 7.828 7.117 ( 4.551 -0.000 -0.000) 4.551 11.908 ( 18.943 -0.000 -0.000) 18.943 12.814 ( 12.097 -0.000 -0.000) 12.097 13.304 ( -12.120 0.000 0.000) 12.120 27.953 ( 3.172 -0.000 -0.000) 3.172 29.997 ( -0.312 0.000 0.000) 0.312 ======================= Grid point 31 (22/288) ======================= q-point: ( 0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.442 ( -0.000 10.024 4.048) 10.810 1.008 ( 0.000 22.315 3.605) 22.604 1.893 ( 0.000 44.000 -0.407) 44.002 2.810 ( 0.000 10.766 -0.390) 10.773 4.350 ( -0.000 -16.281 -0.134) 16.281 4.652 ( 0.000 -1.178 -8.022) 8.108 6.239 ( -0.000 1.816 5.209) 5.517 6.433 ( 0.000 5.859 -0.182) 5.862 6.508 ( 0.000 8.451 0.172) 8.452 7.121 ( -0.000 -3.172 0.699) 3.248 11.158 ( 0.000 5.315 -57.850) 58.093 12.997 ( 0.000 6.316 -13.749) 15.131 13.013 ( -0.000 -1.463 0.134) 1.469 27.876 ( 0.000 -4.101 -4.534) 6.114 30.366 ( -0.000 -11.805 33.674) 35.684 ======================= Grid point 32 (23/288) ======================= q-point: ( 0.21 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.569 ( 1.207 10.156 2.396) 10.505 1.302 ( 7.039 21.649 2.164) 22.867 2.422 ( 12.860 36.246 0.241) 38.460 2.949 ( 4.426 8.924 -0.560) 9.977 4.052 ( -13.122 -16.140 -1.877) 20.886 4.700 ( 8.344 0.093 -6.376) 10.502 6.251 ( -2.770 2.902 4.341) 5.911 6.552 ( 5.816 5.769 0.674) 8.219 6.599 ( 0.814 7.675 0.321) 7.725 7.042 ( -4.969 -4.428 0.911) 6.718 11.023 ( 6.823 -7.430 -36.825) 38.182 12.630 ( -19.889 -6.843 -2.119) 21.139 13.307 ( 14.030 9.672 -10.528) 20.031 27.801 ( -1.276 -4.216 -5.127) 6.760 30.370 ( -2.922 -7.479 26.723) 27.903 ======================= Grid point 33 (24/288) ======================= q-point: ( 0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.696 ( 1.562 10.123 -0.790) 10.273 1.670 ( 9.671 21.345 1.114) 23.460 2.980 ( 14.373 24.205 0.869) 28.164 3.095 ( 3.135 7.192 -1.437) 7.976 3.644 ( -10.888 -18.552 -1.379) 21.555 4.853 ( 8.956 5.282 -4.969) 11.524 6.253 ( -2.840 3.971 3.548) 6.035 6.676 ( 0.544 4.662 0.431) 4.714 6.728 ( 7.553 5.544 0.779) 9.402 6.894 ( -5.198 -7.587 1.249) 9.281 10.843 ( -5.408 -9.520 -21.199) 23.860 12.227 ( -10.411 -18.480 -0.386) 21.215 13.575 ( 8.646 14.223 -9.509) 19.169 27.712 ( -1.740 -3.705 -5.186) 6.606 30.360 ( -3.346 -4.452 20.959) 21.686 ======================= Grid point 34 (25/288) ======================= q-point: ( 0.36 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.817 ( 2.062 10.844 -4.922) 12.086 2.043 ( 8.497 21.028 0.938) 22.700 2.921 ( -21.811 -0.362 -2.027) 21.908 3.466 ( 15.093 1.051 0.336) 15.133 3.480 ( 12.666 -4.514 1.366) 13.516 5.056 ( 7.064 11.618 -4.250) 14.245 6.263 ( -2.944 4.894 3.267) 6.580 6.700 ( -0.766 -2.480 1.039) 2.796 6.746 ( -1.539 -8.356 0.687) 8.524 6.920 ( 8.234 4.566 0.478) 9.428 10.447 ( -23.809 -4.799 -9.766) 26.178 11.940 ( 4.451 -28.943 -1.168) 29.307 13.802 ( 3.931 17.124 -6.905) 18.878 27.630 ( -1.502 -2.861 -4.509) 5.547 30.347 ( -3.380 -2.911 16.049) 16.658 ======================= Grid point 35 (26/288) ======================= q-point: ( 0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.952 ( 3.899 13.175 -8.263) 16.033 2.356 ( 2.058 17.475 1.236) 17.640 2.488 ( -22.166 -1.406 0.706) 22.221 3.558 ( 16.143 -18.956 0.042) 24.898 3.808 ( 12.034 5.341 1.002) 13.204 5.272 ( 3.226 16.882 -3.864) 17.617 6.276 ( -3.304 5.639 3.328) 7.334 6.594 ( 2.031 -15.861 1.452) 16.057 6.706 ( -0.449 -2.422 0.137) 2.467 7.095 ( 7.930 2.099 -0.075) 8.203 9.922 ( -29.799 0.952 -3.441) 30.012 11.775 ( 12.339 -33.570 -1.283) 35.789 13.984 ( -0.427 18.385 -4.218) 18.867 27.570 ( -0.763 -1.907 -3.291) 3.880 30.323 ( -3.425 -2.125 11.305) 12.002 ======================= Grid point 36 (27/288) ======================= q-point: ( 0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.160 ( 7.752 16.874 -8.027) 20.230 2.040 ( -21.918 -4.248 4.180) 22.713 2.592 ( -1.963 18.374 0.912) 18.501 3.626 ( 15.473 -21.961 -0.825) 26.877 3.997 ( 7.625 -1.516 0.440) 7.787 5.446 ( -2.695 19.679 -3.716) 20.207 6.288 ( -3.770 5.985 3.598) 7.936 6.498 ( 6.279 -18.603 0.808) 19.650 6.671 ( 0.884 -5.049 0.500) 5.150 7.219 ( 5.866 -1.009 -0.573) 5.980 9.492 ( -23.247 8.498 -0.803) 24.765 11.680 ( 16.039 -34.053 -0.689) 37.647 14.108 ( -4.599 18.069 -2.077) 18.761 27.540 ( 0.284 -1.019 -1.828) 2.112 30.285 ( -3.421 -1.644 6.582) 7.598 ======================= Grid point 37 (28/288) ======================= q-point: (-0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.481 ( 9.375 19.066 -2.080) 21.348 1.688 ( -15.115 -2.723 3.877) 15.840 2.668 ( -9.013 14.959 0.708) 17.478 3.643 ( 13.664 -23.989 -1.660) 27.658 4.049 ( 2.719 -5.692 -0.419) 6.322 5.517 ( -9.658 18.774 -3.572) 21.412 6.294 ( -4.243 5.629 3.824) 8.020 6.456 ( 10.108 -18.551 0.031) 21.126 6.655 ( 3.320 -5.646 0.914) 6.613 7.262 ( 2.162 -3.782 -0.972) 4.463 9.331 ( -9.615 17.407 0.121) 19.886 11.650 ( 19.266 -32.607 -0.085) 37.874 14.163 ( -8.293 16.426 -0.565) 18.409 27.544 ( 1.489 -0.299 -0.403) 1.572 30.232 ( -3.258 -1.235 2.203) 4.122 ======================= Grid point 38 (29/288) ======================= q-point: (-0.36 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.365 ( -15.977 -2.175 6.794) 17.497 1.960 ( 17.346 20.397 -0.979) 26.794 2.586 ( -15.287 10.523 0.494) 18.565 3.606 ( 11.162 -24.655 -2.269) 27.159 3.977 ( -3.259 -7.389 -1.079) 8.148 5.456 ( -14.540 14.318 -3.042) 20.632 6.286 ( -4.252 4.304 3.542) 7.011 6.480 ( 12.483 -15.488 -0.491) 19.899 6.679 ( 4.137 -3.725 1.103) 5.675 7.210 ( -2.316 -5.249 -1.272) 5.877 9.512 ( 5.598 25.122 0.610) 25.745 11.694 ( 22.124 -30.560 0.305) 37.729 14.145 ( -11.060 13.717 0.514) 17.628 27.581 ( 2.723 0.204 0.737) 2.828 30.171 ( -2.891 -0.822 -1.269) 3.263 ======================= Grid point 39 (30/288) ======================= q-point: (-0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.116 ( -13.692 -1.905 4.461) 14.526 2.349 ( -16.225 6.214 0.753) 17.390 2.499 ( 15.119 20.556 1.863) 25.586 3.522 ( 8.557 -23.977 -2.515) 25.582 3.779 ( -11.058 -7.127 -1.188) 13.210 5.296 ( -15.565 8.715 -2.220) 17.977 6.266 ( -3.694 2.688 2.693) 5.303 6.567 ( 12.562 -10.280 -0.528) 16.241 6.717 ( 2.481 -1.635 0.954) 3.121 7.077 ( -6.266 -5.064 -1.378) 8.174 9.989 ( 17.582 28.132 1.257) 33.198 11.799 ( 23.564 -27.693 0.418) 36.364 14.063 ( -12.622 10.125 1.255) 16.229 27.645 ( 3.821 0.454 1.346) 4.077 30.109 ( -2.370 -0.442 -3.236) 4.035 ======================= Grid point 40 (31/288) ======================= q-point: (-0.21 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.895 ( -12.198 -1.106 1.905) 12.396 2.037 ( -22.146 1.857 0.458) 22.228 2.988 ( 11.459 19.571 2.945) 22.869 3.430 ( 4.622 -17.645 -2.378) 18.395 3.451 ( -13.639 -8.212 -0.656) 15.934 5.098 ( -13.225 3.641 -1.273) 13.776 6.237 ( -2.916 1.180 1.472) 3.473 6.683 ( 6.287 -2.502 -0.085) 6.767 6.743 ( 4.363 -2.121 0.372) 4.865 6.898 ( -8.700 -3.542 -1.049) 9.452 10.612 ( 23.605 21.508 1.770) 31.983 11.960 ( 23.180 -19.981 0.204) 30.604 13.927 ( -13.067 5.653 1.364) 14.302 27.727 ( 4.557 0.402 1.168) 4.721 30.056 ( -1.804 -0.162 -3.109) 3.598 ======================= Grid point 41 (32/288) ======================= q-point: (-0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.693 ( -11.239 0.000 0.000) 11.239 1.655 ( -23.335 0.000 0.000) 23.335 2.969 ( -28.588 0.000 0.000) 28.588 3.115 ( -8.364 0.000 0.000) 8.364 3.661 ( 23.727 -0.000 -0.000) 23.727 4.923 ( -8.675 0.000 0.000) 8.675 6.203 ( -2.033 0.000 0.000) 2.033 6.671 ( -4.041 0.000 0.000) 4.041 6.716 ( -9.560 0.000 0.000) 9.560 6.877 ( 9.482 -0.000 -0.000) 9.482 11.149 ( 24.358 -0.000 -0.000) 24.358 12.233 ( 21.098 -0.000 -0.000) 21.098 13.738 ( -12.964 0.000 0.000) 12.964 27.813 ( 4.692 -0.000 -0.000) 4.692 30.021 ( -1.228 0.000 0.000) 1.228 ======================= Grid point 46 (33/288) ======================= q-point: ( 0.21 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.676 ( 0.000 11.128 1.709) 11.258 1.453 ( 0.000 19.913 2.804) 20.109 2.689 ( 0.000 36.489 -0.089) 36.489 2.970 ( 0.000 3.483 -0.460) 3.513 4.061 ( -0.000 -10.763 0.280) 10.766 4.553 ( 0.000 -1.129 -9.236) 9.305 6.327 ( -0.000 2.118 5.757) 6.134 6.567 ( 0.000 7.776 -0.134) 7.777 6.674 ( 0.000 7.873 0.210) 7.875 7.066 ( -0.000 -3.013 0.869) 3.136 10.680 ( 0.000 -16.153 -26.674) 31.184 12.962 ( -0.000 -3.823 -0.010) 3.823 13.036 ( 0.000 10.441 -15.161) 18.409 27.746 ( 0.000 -4.585 -5.006) 6.788 30.431 ( -0.000 -7.182 24.393) 25.428 ======================= Grid point 47 (34/288) ======================= q-point: ( 0.29 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.792 ( -0.015 11.600 -0.525) 11.612 1.724 ( 7.631 19.040 2.175) 20.627 3.011 ( 5.675 -4.756 -0.373) 7.414 3.076 ( 5.870 29.353 0.300) 29.936 3.791 ( -18.731 -6.563 -1.237) 19.886 4.661 ( 13.866 2.160 -6.989) 15.678 6.354 ( -1.918 3.204 5.052) 6.283 6.679 ( 3.422 6.344 0.645) 7.237 6.746 ( -0.174 6.945 -0.262) 6.952 6.966 ( -7.648 -3.949 1.074) 8.674 10.498 ( 10.394 -21.658 -17.134) 29.507 12.503 ( -29.070 -4.040 -3.224) 29.526 13.407 ( 19.297 9.401 -9.334) 23.406 27.673 ( -0.795 -4.142 -4.737) 6.342 30.448 ( -1.942 -5.309 20.575) 21.337 ======================= Grid point 48 (35/288) ======================= q-point: ( 0.36 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.900 ( -0.013 12.495 -3.507) 12.978 2.086 ( 10.866 19.165 1.766) 22.102 3.063 ( 10.538 -12.801 -0.244) 16.582 3.346 ( -23.032 -2.545 -1.302) 23.208 3.444 ( 6.178 17.200 0.589) 18.285 4.941 ( 15.077 8.021 -5.246) 17.865 6.378 ( -2.257 4.913 4.363) 6.948 6.719 ( -5.855 -4.643 1.755) 7.676 6.768 ( -3.974 -0.200 0.784) 4.055 6.865 ( 3.350 5.744 -0.564) 6.674 10.403 ( 8.138 -20.885 -10.271) 24.655 11.932 ( -26.559 -10.771 -1.305) 28.690 13.763 ( 13.924 12.099 -7.032) 19.741 27.602 ( -0.936 -3.230 -4.087) 5.293 30.441 ( -3.022 -3.718 16.427) 17.112 ======================= Grid point 49 (36/288) ======================= q-point: ( 0.43 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.020 ( 1.193 14.694 -5.929) 15.890 2.461 ( 8.825 19.544 1.732) 21.513 2.880 ( -24.487 -4.376 0.456) 24.879 3.114 ( 12.642 -16.934 -0.812) 21.148 3.707 ( 7.172 8.541 0.702) 11.175 5.265 ( 12.686 12.817 -4.375) 18.556 6.409 ( -2.952 6.097 3.895) 7.814 6.500 ( -6.758 -11.757 1.955) 13.701 6.725 ( -3.412 -0.859 1.090) 3.684 6.994 ( 5.793 2.873 -0.956) 6.537 10.229 ( -6.554 -11.528 -5.144) 14.223 11.432 ( -11.828 -20.437 -0.656) 23.622 14.056 ( 8.400 13.519 -4.459) 16.529 27.546 ( -0.537 -2.192 -3.089) 3.826 30.413 ( -3.744 -2.692 12.137) 12.984 ======================= Grid point 50 (37/288) ======================= q-point: ( 0.50 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.200 ( 4.536 18.027 -6.060) 19.552 2.416 ( -23.893 -2.600 2.803) 24.197 2.788 ( 3.269 19.281 0.875) 19.576 3.152 ( 13.885 -20.590 -0.894) 24.851 3.859 ( 6.093 -0.877 0.339) 6.165 5.571 ( 7.749 16.399 -4.029) 18.580 6.287 ( -2.047 -14.951 1.477) 15.163 6.447 ( -3.699 7.493 3.722) 9.148 6.640 ( -3.539 -4.892 1.498) 6.221 7.098 ( 5.863 -1.310 -1.249) 6.136 9.935 ( -18.525 2.180 -1.732) 18.733 11.139 ( 5.788 -28.904 -0.662) 29.485 14.272 ( 2.854 13.407 -2.385) 13.914 27.516 ( 0.230 -1.259 -1.937) 2.322 30.365 ( -4.227 -2.006 7.845) 9.134 ======================= Grid point 51 (38/288) ======================= q-point: ( 0.57 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.489 ( 9.518 20.640 -3.694) 23.028 2.015 ( -21.874 -1.914 4.031) 22.324 2.964 ( -4.137 16.191 0.128) 16.712 3.171 ( 12.468 -20.695 -0.799) 24.173 3.911 ( 5.110 -7.127 -0.357) 8.777 5.790 ( -1.287 18.388 -4.072) 18.877 6.156 ( 4.096 -15.277 0.644) 15.829 6.464 ( -5.505 7.518 4.408) 10.308 6.543 ( 0.689 -8.653 1.269) 8.773 7.154 ( 4.662 -4.491 -1.391) 6.621 9.704 ( -15.070 13.332 -0.355) 20.124 11.027 ( 15.205 -30.950 -0.276) 34.485 14.393 ( -2.408 11.805 -1.004) 12.090 27.513 ( 1.222 -0.549 -0.848) 1.585 30.299 ( -4.403 -1.433 3.918) 6.066 ======================= Grid point 52 (39/288) ======================= q-point: (-0.36 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.666 ( -18.397 -1.731 3.294) 18.770 1.895 ( 13.858 21.353 0.065) 25.456 2.959 ( -12.756 11.887 -0.151) 17.437 3.158 ( 11.118 -21.641 -1.386) 24.369 3.902 ( 2.772 -7.764 -0.820) 8.285 5.818 ( -12.518 14.110 -3.262) 19.143 6.141 ( 9.808 -12.065 -0.030) 15.548 6.431 ( -5.256 2.432 3.889) 6.976 6.549 ( 5.793 -3.816 0.959) 7.002 7.156 ( 1.838 -5.173 -1.276) 5.636 9.715 ( -2.826 20.249 0.073) 20.446 11.036 ( 20.040 -28.345 0.106) 34.714 14.413 ( -6.864 8.903 -0.178) 11.243 27.539 ( 2.320 -0.097 -0.023) 2.323 30.223 ( -4.209 -0.878 0.913) 4.396 ======================= Grid point 53 (40/288) ======================= q-point: (-0.29 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.370 ( -16.028 -0.913 2.125) 16.194 2.369 ( 17.482 17.375 1.697) 24.706 2.772 ( -18.622 6.717 0.081) 19.796 3.125 ( 10.040 -19.594 -2.090) 22.115 3.839 ( -3.093 -4.373 -0.632) 5.394 5.643 ( -17.032 5.915 -1.455) 18.088 6.249 ( 13.141 -6.368 -0.201) 14.604 6.377 ( -4.808 1.650 1.783) 5.386 6.636 ( 5.834 -1.126 0.661) 5.979 7.105 ( -2.291 -3.306 -0.839) 4.109 9.985 ( 10.482 18.315 0.282) 21.104 11.158 ( 22.662 -19.986 0.153) 30.216 14.336 ( -10.076 4.909 0.212) 11.210 27.589 ( 3.384 0.092 0.333) 3.402 30.150 ( -3.670 -0.370 -0.573) 3.733 ======================= Grid point 54 (41/288) ======================= q-point: (-0.21 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.116 ( -13.871 0.000 0.000) 13.871 2.421 ( -20.629 0.000 0.000) 20.629 2.864 ( 21.230 -0.000 -0.000) 21.230 3.125 ( 4.967 -0.000 -0.000) 4.967 3.694 ( -11.451 0.000 0.000) 11.451 5.375 ( -16.663 0.000 0.000) 16.663 6.307 ( -4.038 0.000 0.000) 4.038 6.455 ( 13.627 -0.000 -0.000) 13.627 6.709 ( 2.865 -0.000 -0.000) 2.865 7.011 ( -6.364 0.000 0.000) 6.364 10.356 ( 19.709 -0.000 -0.000) 19.709 11.448 ( 23.671 -0.000 -0.000) 23.671 14.171 ( -11.975 0.000 0.000) 11.975 27.656 ( 4.209 -0.000 -0.000) 4.209 30.090 ( -2.864 0.000 0.000) 2.864 ======================= Grid point 61 (42/288) ======================= q-point: ( 0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.907 ( 0.000 12.445 -2.047) 12.613 1.837 ( 0.000 16.703 2.213) 16.849 2.863 ( -0.000 -13.922 0.404) 13.928 3.318 ( 0.000 26.997 0.409) 27.001 4.002 ( 0.000 4.090 0.384) 4.108 4.455 ( 0.000 -0.807 -8.610) 8.647 6.416 ( -0.000 1.990 5.157) 5.527 6.731 ( 0.000 8.323 0.672) 8.350 6.814 ( 0.000 6.521 -0.694) 6.558 7.018 ( -0.000 -2.515 0.497) 2.564 10.095 ( 0.000 -25.812 -10.809) 27.984 12.865 ( -0.000 -5.814 -0.041) 5.814 13.143 ( 0.000 12.062 -12.193) 17.151 27.620 ( 0.000 -3.898 -4.128) 5.678 30.498 ( -0.000 -4.787 18.293) 18.909 ======================= Grid point 62 (43/288) ======================= q-point: ( 0.36 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.018 ( -0.344 13.474 -4.182) 14.112 2.083 ( 8.984 15.350 1.969) 17.894 2.751 ( 5.756 -19.526 1.279) 20.397 3.572 ( 1.309 20.300 0.591) 20.350 3.770 ( -24.209 3.479 -1.954) 24.536 4.673 ( 20.144 4.386 -5.347) 21.298 6.455 ( -0.113 2.658 4.432) 5.169 6.798 ( -2.540 3.839 2.002) 5.020 6.855 ( -3.362 3.227 -0.893) 4.745 6.923 ( -5.151 1.254 -0.453) 5.321 9.913 ( 12.198 -26.281 -6.245) 29.639 12.404 ( -32.803 -3.791 -2.234) 33.097 13.519 ( 22.123 8.955 -6.905) 24.845 27.565 ( -0.386 -3.123 -3.378) 4.617 30.513 ( -1.718 -3.726 15.040) 15.590 ======================= Grid point 63 (44/288) ======================= q-point: ( 0.43 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.134 ( 0.221 15.428 -5.647) 16.431 2.440 ( 13.553 14.679 1.735) 20.054 2.683 ( 9.510 -22.501 2.467) 24.552 3.347 ( -26.206 2.206 -2.519) 26.419 3.752 ( 0.394 11.994 0.623) 12.017 5.067 ( 20.005 8.167 -3.804) 21.940 6.506 ( -0.052 4.056 3.464) 5.334 6.600 ( -13.864 -6.638 1.400) 15.435 6.806 ( -4.504 1.196 2.357) 5.222 6.965 ( 1.270 5.287 -2.283) 5.897 9.894 ( 15.330 -23.069 -3.462) 27.913 11.762 ( -34.608 -5.810 -1.383) 35.120 13.927 ( 17.426 9.273 -4.263) 20.195 27.520 ( -0.316 -2.149 -2.508) 3.318 30.497 ( -3.114 -2.737 11.319) 12.055 ======================= Grid point 64 (45/288) ======================= q-point: ( 0.50 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.296 ( 2.507 18.038 -5.319) 18.972 2.621 ( 6.979 -21.360 3.765) 22.785 2.809 ( 3.435 11.905 2.375) 12.616 2.956 ( -11.514 2.448 -3.710) 12.342 3.822 ( -1.058 2.892 0.346) 3.099 5.466 ( 17.507 10.227 -3.039) 20.502 6.294 ( -11.908 -9.339 1.455) 15.203 6.565 ( -0.823 5.027 1.567) 5.329 6.723 ( -6.881 -0.279 3.956) 7.942 7.010 ( 1.937 0.214 -2.489) 3.162 9.926 ( 11.090 -14.564 -1.688) 18.383 11.139 ( -27.800 -9.279 -0.670) 29.316 14.250 ( 11.346 8.820 -2.303) 14.555 27.492 ( 0.125 -1.251 -1.610) 2.043 30.452 ( -4.184 -1.934 7.483) 8.789 ======================= Grid point 65 (46/288) ======================= q-point: ( 0.57 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.536 ( 6.318 19.012 -3.339) 20.311 2.397 ( -20.276 -2.827 4.964) 21.066 2.703 ( 8.999 -18.237 -3.935) 20.714 3.193 ( 6.073 16.434 1.674) 17.600 3.782 ( -0.787 -6.583 -0.362) 6.640 5.829 ( 13.248 12.030 -2.775) 18.109 6.049 ( -5.776 -9.327 0.899) 11.008 6.520 ( -6.148 -4.529 -0.252) 7.640 6.661 ( -5.850 6.808 5.579) 10.569 7.022 ( 3.760 -4.544 -2.420) 6.375 9.969 ( 1.716 2.150 -0.605) 2.817 10.667 ( -10.458 -17.579 -0.266) 20.457 14.461 ( 4.931 7.084 -1.017) 8.691 27.486 ( 0.828 -0.576 -0.804) 1.290 30.383 ( -4.834 -1.231 3.959) 6.368 ======================= Grid point 66 (47/288) ======================= q-point: (-0.36 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.825 ( 6.903 11.305 -1.556) 13.337 2.056 ( -17.789 4.165 3.235) 18.554 2.709 ( 12.951 -16.490 -2.222) 21.085 3.335 ( -10.638 13.608 1.471) 17.335 3.726 ( 6.874 -9.761 -0.869) 11.970 5.943 ( 2.279 -5.928 0.239) 6.356 6.095 ( -0.261 15.797 -3.467) 16.175 6.350 ( -0.225 -12.540 2.566) 12.801 6.634 ( -6.998 5.159 2.331) 9.001 7.044 ( 4.841 -4.057 -1.281) 6.444 10.005 ( -9.045 16.808 -0.171) 19.088 10.482 ( 13.707 -23.161 0.025) 26.913 14.546 ( -1.152 4.086 -0.290) 4.255 27.502 ( 1.693 -0.161 -0.218) 1.715 30.300 ( -4.964 -0.571 1.280) 5.158 ======================= Grid point 67 (48/288) ======================= q-point: (-0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.662 ( -17.869 0.000 0.000) 17.869 2.189 ( 14.395 -0.000 -0.000) 14.395 2.824 ( 11.682 -0.000 -0.000) 11.682 3.133 ( -18.093 0.000 0.000) 18.093 3.798 ( 4.692 -0.000 -0.000) 4.692 5.963 ( -16.655 0.000 0.000) 16.655 6.016 ( 9.470 -0.000 -0.000) 9.470 6.415 ( 5.706 -0.000 -0.000) 5.706 6.566 ( -2.030 0.000 0.000) 2.030 7.086 ( 2.163 -0.000 -0.000) 2.163 9.994 ( -1.011 0.000 0.000) 1.011 10.677 ( 21.110 -0.000 -0.000) 21.110 14.501 ( -6.280 0.000 0.000) 6.280 27.538 ( 2.604 -0.000 -0.000) 2.604 30.218 ( -4.557 0.000 0.000) 4.557 ======================= Grid point 76 (49/288) ======================= q-point: ( 0.36 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.137 ( 0.000 14.458 -5.758) 15.562 2.143 ( 0.000 12.433 1.745) 12.555 2.506 ( -0.000 -21.709 2.474) 21.850 3.756 ( 0.000 16.886 0.673) 16.899 4.149 ( 0.000 8.680 0.106) 8.681 4.377 ( 0.000 -0.433 -6.544) 6.558 6.489 ( -0.000 1.505 3.786) 4.074 6.879 ( -0.000 3.858 3.210) 5.018 6.933 ( 0.000 8.016 -3.294) 8.666 6.974 ( -0.000 -2.032 -0.149) 2.038 9.523 ( -0.000 -24.928 -2.951) 25.102 12.745 ( -0.000 -5.979 0.066) 5.979 13.283 ( 0.000 10.286 -7.515) 12.739 27.527 ( 0.000 -2.567 -2.586) 3.644 30.554 ( -0.000 -3.125 12.471) 12.857 ======================= Grid point 77 (50/288) ======================= q-point: ( 0.43 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.260 ( 0.249 16.062 -6.693) 17.402 2.335 ( 5.989 -12.326 2.391) 13.910 2.363 ( 9.486 -0.031 2.569) 9.828 3.813 ( -24.479 3.334 -1.786) 24.769 3.899 ( -4.291 11.079 0.288) 11.885 4.731 ( 24.437 4.650 -2.943) 25.049 6.530 ( 1.345 1.627 2.831) 3.531 6.808 ( -13.472 -2.362 0.353) 13.682 6.897 ( -2.811 1.634 2.005) 3.820 7.015 ( -0.191 6.422 -2.216) 6.796 9.404 ( 12.669 -20.804 -1.329) 24.394 12.317 ( -33.308 -3.411 -1.000) 33.497 13.631 ( 22.947 6.664 -3.883) 24.209 27.495 ( -0.117 -1.778 -1.806) 2.537 30.559 ( -1.758 -2.303 9.234) 9.678 ======================= Grid point 78 (51/288) ======================= q-point: ( 0.50 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.414 ( 1.643 17.720 -5.831) 18.727 2.255 ( 8.755 -21.872 3.425) 23.807 2.695 ( 16.761 8.354 1.580) 18.794 3.361 ( -27.384 1.142 -1.836) 27.469 3.926 ( -4.572 5.421 0.412) 7.104 5.178 ( 23.047 5.142 -1.900) 23.690 6.496 ( -17.661 -4.116 0.669) 18.147 6.590 ( 1.994 1.836 1.479) 3.088 6.850 ( -5.057 0.789 2.815) 5.841 7.029 ( -2.742 3.191 -2.343) 4.816 9.493 ( 17.655 -14.585 -0.708) 22.911 11.668 ( -37.104 -2.866 -0.697) 37.221 14.045 ( 19.283 5.106 -1.883) 20.036 27.474 ( 0.045 -0.999 -1.087) 1.477 30.529 ( -3.324 -1.482 5.765) 6.818 ======================= Grid point 79 (52/288) ======================= q-point: ( 0.57 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.607 ( 3.708 14.895 -3.136) 15.667 2.247 ( 11.557 -16.351 2.489) 20.177 2.893 ( -25.814 0.396 -0.280) 25.819 3.084 ( 17.585 5.960 0.026) 18.567 3.845 ( -8.143 -0.001 0.066) 8.143 5.594 ( 20.872 4.035 -1.079) 21.286 6.171 ( -14.887 -3.579 0.524) 15.320 6.605 ( -4.088 0.047 -0.348) 4.103 6.810 ( -1.726 3.332 4.646) 5.972 6.963 ( -4.051 -1.924 -3.165) 5.489 9.696 ( 18.502 -6.404 -0.295) 19.581 11.025 ( -34.027 -2.501 -0.271) 34.120 14.356 ( 12.756 3.075 -0.683) 13.139 27.468 ( 0.444 -0.387 -0.468) 0.752 30.468 ( -4.487 -0.710 2.518) 5.194 ======================= Grid point 80 (53/288) ======================= q-point: (-0.36 -0.64 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.768 ( 6.306 -0.000 -0.000) 6.306 2.382 ( 13.390 -0.000 -0.000) 13.390 2.455 ( -24.314 0.000 0.000) 24.314 3.423 ( 16.374 -0.000 -0.000) 16.374 3.658 ( -12.424 0.000 0.000) 12.424 5.946 ( 11.761 -0.000 -0.000) 11.761 5.962 ( -0.861 0.000 0.000) 0.861 6.456 ( -11.407 0.000 0.000) 11.407 6.805 ( -8.288 0.000 0.000) 8.288 6.919 ( 5.928 -0.000 -0.000) 5.928 9.994 ( 19.366 -0.000 -0.000) 19.366 10.483 ( -26.541 0.000 0.000) 26.541 14.528 ( 5.622 -0.000 -0.000) 5.622 27.477 ( 1.022 -0.000 -0.000) 1.022 30.387 ( -5.063 0.000 0.000) 5.063 ======================= Grid point 92 (54/288) ======================= q-point: ( 0.43 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.388 ( 0.000 17.043 -7.503) 18.621 2.098 ( -0.000 -22.091 4.817) 22.610 2.347 ( 0.000 6.777 1.051) 6.858 4.001 ( 0.000 7.738 0.531) 7.756 4.298 ( 0.000 5.700 -0.033) 5.700 4.327 ( 0.000 -0.161 -3.510) 3.514 6.537 ( -0.000 0.799 1.981) 2.136 6.938 ( 0.000 -1.258 -0.392) 1.318 6.942 ( -0.000 1.133 1.428) 1.823 7.055 ( 0.000 5.460 -1.469) 5.654 9.106 ( -0.000 -15.025 -0.129) 15.025 12.646 ( -0.000 -3.792 0.114) 3.794 13.399 ( 0.000 5.813 -3.321) 6.695 27.474 ( 0.000 -1.191 -1.132) 1.643 30.589 ( -0.000 -1.592 6.347) 6.544 ======================= Grid point 93 (55/288) ======================= q-point: ( 0.50 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.536 ( 0.988 16.850 -6.276) 18.008 1.951 ( 4.715 -19.390 4.824) 20.530 2.504 ( 11.462 3.657 0.621) 12.047 3.840 ( -27.486 0.943 -0.853) 27.516 4.047 ( -3.688 3.600 0.210) 5.158 4.784 ( 25.999 1.978 -0.897) 26.089 6.567 ( 1.932 0.537 0.938) 2.214 6.771 ( -15.460 -1.118 0.015) 15.501 6.931 ( -2.754 0.464 0.803) 2.906 7.095 ( -1.101 2.620 -0.814) 2.956 9.109 ( 12.605 -7.835 -0.027) 14.841 12.262 ( -32.973 -1.410 -0.249) 33.004 13.701 ( 22.997 2.462 -1.194) 23.159 27.462 ( 0.009 -0.553 -0.533) 0.768 30.581 ( -1.834 -0.791 3.116) 3.701 ======================= Grid point 94 (56/288) ======================= q-point: (-0.43 -0.57 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.646 ( 1.396 -0.000 -0.000) 1.396 1.971 ( 9.675 -0.000 -0.000) 9.675 2.787 ( 18.251 -0.000 -0.000) 18.251 3.364 ( -28.007 0.000 0.000) 28.007 3.980 ( -6.410 0.000 0.000) 6.410 5.222 ( 24.098 -0.000 -0.000) 24.098 6.456 ( -19.098 0.000 0.000) 19.098 6.613 ( 2.288 -0.000 -0.000) 2.288 6.873 ( -3.955 0.000 0.000) 3.955 7.051 ( -5.099 0.000 0.000) 5.099 9.341 ( 18.108 -0.000 -0.000) 18.108 11.637 ( -37.576 0.000 0.000) 37.576 14.088 ( 19.845 -0.000 -0.000) 19.845 27.460 ( 0.159 -0.000 -0.000) 0.159 30.539 ( -3.423 0.000 0.000) 3.423 ======================= Grid point 109 (57/288) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.629 ( 0.000 0.000 0.000) 0.000 1.793 ( -0.000 -0.000 0.000) 0.000 2.420 ( 0.000 0.000 0.000) 0.000 4.079 ( 0.000 0.000 0.000) 0.000 4.311 ( 0.000 0.000 0.000) 0.000 4.356 ( -0.000 0.000 0.000) 0.000 6.554 ( 0.000 0.000 0.000) 0.000 6.923 ( 0.000 0.000 0.000) 0.000 6.958 ( 0.000 0.000 0.000) 0.000 7.104 ( 0.000 0.000 0.000) 0.000 8.954 ( 0.000 0.000 0.000) 0.000 12.607 ( 0.000 0.000 0.000) 0.000 13.444 ( 0.000 0.000 0.000) 0.000 27.458 ( -0.000 0.000 0.000) 0.000 30.600 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 218 (58/288) ======================= q-point: ( 0.07 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.130 ( -0.000 0.000 9.898) 9.898 0.130 ( -0.000 0.000 9.898) 9.898 0.142 ( -0.000 0.000 10.782) 10.782 2.539 ( 0.000 -0.000 -0.244) 0.244 4.732 ( 0.000 -0.000 -3.934) 3.934 4.732 ( 0.000 -0.000 -3.934) 3.934 6.165 ( -0.000 0.000 2.741) 2.741 6.165 ( -0.000 0.000 2.741) 2.741 6.352 ( -0.000 0.000 0.070) 0.070 7.194 ( -0.000 -0.000 0.066) 0.066 7.194 ( -0.000 0.000 0.066) 0.066 13.024 ( 0.000 -0.000 0.003) 0.003 13.024 ( -0.000 0.000 0.003) 0.003 28.010 ( 0.000 -0.000 -0.046) 0.046 31.708 ( 0.000 -0.000 -0.041) 0.041 ======================= Grid point 219 (59/288) ======================= q-point: ( 0.14 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.256 ( 5.448 3.146 6.517) 9.058 0.462 ( 19.699 11.373 0.649) 22.755 1.027 ( 41.729 24.092 2.908) 48.272 2.617 ( 6.672 3.852 -0.307) 7.711 4.560 ( -11.341 -6.548 -5.752) 14.303 4.751 ( 1.738 1.003 -3.268) 3.835 6.160 ( -0.645 -0.373 2.394) 2.508 6.347 ( 5.304 3.062 0.598) 6.154 6.394 ( 4.292 2.478 2.030) 5.356 7.168 ( -2.084 -1.203 -0.004) 2.407 10.180 ( 100.007 57.739 -137.941) 179.897 12.980 ( -2.150 -1.241 -2.020) 3.201 13.020 ( -0.283 -0.163 -0.186) 0.376 27.956 ( -3.418 -1.973 -1.416) 4.193 30.828 ( -35.636 -20.574 50.544) 65.176 ======================= Grid point 220 (60/288) ======================= q-point: ( 0.21 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.410 ( 6.055 3.496 2.664) 7.483 0.914 ( 19.658 11.350 -0.448) 22.704 1.949 ( 37.840 21.847 2.107) 43.744 2.809 ( 9.231 5.330 -0.424) 10.668 4.220 ( -14.971 -8.643 -5.799) 18.234 4.781 ( 2.090 1.207 -2.930) 3.796 6.157 ( -0.518 -0.299 2.226) 2.305 6.467 ( 5.340 3.083 0.972) 6.242 6.544 ( 7.241 4.180 2.010) 8.599 7.108 ( -2.968 -1.714 0.118) 3.429 10.893 ( 16.158 9.329 -63.989) 66.653 12.966 ( 3.948 2.279 -10.410) 11.364 13.003 ( -1.261 -0.728 -0.290) 1.485 27.861 ( -3.783 -2.184 -3.895) 5.852 30.508 ( -13.301 -7.680 33.832) 37.155 ======================= Grid point 221 (61/288) ======================= q-point: ( 0.29 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.549 ( 5.872 3.390 -1.779) 7.010 1.345 ( 18.251 10.537 -0.293) 21.076 2.739 ( 28.818 16.638 1.555) 33.313 2.958 ( 2.965 1.712 -0.976) 3.560 3.917 ( -7.039 -4.064 -3.758) 8.954 4.818 ( 2.248 1.298 -2.995) 3.963 6.155 ( -0.458 -0.265 2.276) 2.337 6.593 ( 4.986 2.878 0.723) 5.802 6.726 ( 8.070 4.659 1.513) 9.441 7.044 ( -2.557 -1.476 0.249) 2.963 10.684 ( -13.822 -7.980 -26.563) 30.989 12.954 ( -3.081 -1.779 -0.248) 3.566 13.068 ( 9.130 5.271 -14.298) 17.765 27.757 ( -3.552 -2.051 -4.930) 6.413 30.412 ( -7.120 -4.110 24.093) 25.457 ======================= Grid point 222 (62/288) ======================= q-point: ( 0.36 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.663 ( 6.049 3.492 -7.424) 10.193 1.734 ( 15.669 9.046 0.266) 18.095 2.732 ( -15.345 -8.860 -1.278) 17.765 3.401 ( 23.166 13.375 1.596) 26.797 3.931 ( 7.370 4.255 -0.965) 8.565 4.855 ( 2.167 1.251 -3.446) 4.259 6.155 ( -0.464 -0.268 2.576) 2.631 6.688 ( 3.118 1.800 0.185) 3.605 6.924 ( 8.706 5.026 1.037) 10.106 6.999 ( -1.379 -0.796 0.178) 1.603 10.144 ( -24.862 -14.354 -10.255) 30.485 12.861 ( -4.831 -2.789 -0.098) 5.580 13.232 ( 9.754 5.632 -11.602) 16.170 27.662 ( -2.790 -1.611 -4.668) 5.672 30.367 ( -4.990 -2.881 17.827) 18.735 ======================= Grid point 223 (63/288) ======================= q-point: ( 0.43 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.774 ( 8.033 4.638 -12.408) 15.491 2.049 ( 11.584 6.688 0.740) 13.396 2.319 ( -19.269 -11.125 1.828) 22.325 3.841 ( 14.785 8.536 1.297) 17.122 4.136 ( 9.298 5.368 -0.059) 10.737 4.885 ( 1.832 1.057 -4.183) 4.687 6.157 ( -0.481 -0.278 3.111) 3.160 6.738 ( 1.382 0.798 0.024) 1.596 6.982 ( -0.215 -0.124 -0.111) 0.272 7.118 ( 7.669 4.428 0.395) 8.864 9.536 ( -24.552 -14.175 -3.110) 28.521 12.743 ( -5.239 -3.025 0.052) 6.049 13.395 ( 7.775 4.489 -7.253) 11.542 27.594 ( -1.638 -0.946 -3.568) 4.038 30.330 ( -4.143 -2.392 12.493) 13.377 ======================= Grid point 224 (64/288) ======================= q-point: ( 0.50 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.952 ( 12.753 7.363 -11.793) 18.865 1.913 ( -17.290 -9.982 5.589) 20.732 2.256 ( 6.044 3.490 0.825) 7.028 4.087 ( 6.665 3.848 0.612) 7.721 4.312 ( 5.557 3.209 0.015) 6.417 4.901 ( 1.282 0.740 -5.041) 5.254 6.160 ( -0.478 -0.276 3.762) 3.802 6.758 ( 0.464 0.268 0.337) 0.632 6.983 ( 0.311 0.180 -0.404) 0.541 7.260 ( 4.388 2.533 -0.278) 5.074 9.062 ( -15.141 -8.742 -0.251) 17.485 12.640 ( -3.504 -2.023 0.114) 4.047 13.515 ( 4.720 2.725 -3.585) 6.524 27.559 ( -0.292 -0.168 -2.075) 2.103 30.284 ( -3.693 -2.132 7.408) 8.548 ======================= Grid point 225 (65/288) ======================= q-point: (-0.43 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.253 ( 14.514 8.379 -2.127) 16.893 1.602 ( -10.277 -5.933 4.333) 12.633 2.326 ( -0.256 -0.148 0.620) 0.686 4.156 ( -0.527 -0.304 -0.350) 0.701 4.375 ( -0.074 -0.042 -0.179) 0.198 4.899 ( 0.630 0.364 -5.840) 5.885 6.167 ( -0.469 -0.271 4.358) 4.392 6.767 ( 0.145 0.084 0.898) 0.914 6.987 ( 0.116 0.067 -0.493) 0.511 7.306 ( -0.207 -0.120 -0.954) 0.983 8.886 ( 0.146 0.084 0.613) 0.636 12.598 ( -0.056 -0.032 0.077) 0.101 13.576 ( 1.523 0.879 -0.985) 2.015 27.563 ( 1.084 0.626 -0.574) 1.377 30.226 ( -3.258 -1.881 2.748) 4.659 ======================= Grid point 226 (66/288) ======================= q-point: (-0.36 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.256 ( -11.519 -6.651 10.422) 16.898 1.794 ( 21.634 12.491 -2.449) 25.101 2.252 ( -6.312 -3.644 0.530) 7.308 4.062 ( -7.487 -4.322 -1.249) 8.735 4.308 ( -5.516 -3.185 -0.200) 6.373 4.880 ( 0.028 0.016 -6.429) 6.430 6.176 ( -0.510 -0.295 4.755) 4.792 6.771 ( -0.375 -0.216 1.311) 1.381 6.984 ( -0.159 -0.092 -0.355) 0.400 7.242 ( -4.746 -2.740 -1.574) 5.701 9.080 ( 16.225 9.367 0.904) 18.756 12.638 ( 3.454 1.994 0.010) 3.988 13.577 ( -1.292 -0.746 0.818) 1.702 27.602 ( 2.360 1.362 0.618) 2.794 30.162 ( -2.693 -1.555 -0.951) 3.252 ======================= Grid point 227 (67/288) ======================= q-point: (-0.29 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.030 ( -11.241 -6.490 7.448) 14.966 2.051 ( -11.363 -6.561 0.867) 13.150 2.314 ( 22.753 13.137 1.816) 26.336 3.800 ( -15.137 -8.739 -1.691) 17.561 4.139 ( -8.740 -5.046 0.150) 10.093 4.847 ( -0.374 -0.216 -6.714) 6.728 6.184 ( -0.653 -0.377 4.850) 4.909 6.754 ( -1.759 -1.015 1.279) 2.400 6.982 ( 0.241 0.139 -0.071) 0.287 7.086 ( -7.938 -4.583 -2.014) 9.385 9.601 ( 28.088 16.216 1.379) 32.462 12.742 ( 5.323 3.073 0.002) 6.146 13.528 ( -3.463 -1.999 1.971) 4.458 27.673 ( 3.386 1.955 1.216) 4.095 30.098 ( -2.028 -1.171 -3.087) 3.875 ======================= Grid point 228 (68/288) ======================= q-point: (-0.21 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.811 ( -10.362 -5.983 4.727) 12.865 1.752 ( -15.169 -8.758 1.569) 17.585 2.784 ( 15.769 9.104 2.656) 18.401 3.354 ( -23.289 -13.446 -1.804) 26.952 3.961 ( -5.349 -3.088 1.293) 6.310 4.808 ( -0.487 -0.281 -6.658) 6.682 6.187 ( -0.852 -0.492 4.637) 4.741 6.694 ( -4.032 -2.328 0.657) 4.702 6.883 ( -8.694 -5.020 -2.011) 10.239 7.000 ( 1.362 0.787 0.261) 1.595 10.316 ( 32.897 18.993 1.815) 38.029 12.864 ( 5.004 2.889 0.081) 5.779 13.441 ( -4.848 -2.799 1.983) 5.939 27.762 ( 3.963 2.288 0.956) 4.674 30.046 ( -1.397 -0.807 -3.030) 3.433 ======================= Grid point 229 (69/288) ======================= q-point: (-0.14 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.599 ( -9.675 -5.586 2.907) 11.544 1.382 ( -17.894 -10.331 2.355) 20.795 2.705 ( -30.890 -17.834 -1.052) 35.684 2.973 ( -2.578 -1.489 0.219) 2.985 4.011 ( 9.656 5.575 3.164) 11.590 4.770 ( -0.299 -0.173 -6.272) 6.282 6.185 ( -0.989 -0.571 4.223) 4.375 6.577 ( -5.977 -3.451 -0.521) 6.921 6.688 ( -7.833 -4.522 -1.203) 9.124 7.047 ( 2.533 1.462 0.495) 2.966 11.060 ( 30.987 17.890 -0.088) 35.780 12.960 ( 3.215 1.856 0.189) 3.717 13.326 ( -5.501 -3.176 -0.701) 6.391 27.855 ( 3.885 2.243 -0.342) 4.499 30.013 ( -0.868 -0.501 0.536) 1.136 ======================= Grid point 230 (70/288) ======================= q-point: (-0.07 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.397 ( -9.071 -5.237 2.489) 10.766 0.964 ( -19.763 -11.410 3.111) 23.031 1.904 ( -38.201 -22.055 -1.223) 44.128 2.813 ( -9.338 -5.392 -0.135) 10.784 4.334 ( 15.039 8.683 2.507) 17.546 4.742 ( 0.124 0.072 -5.609) 5.611 6.179 ( -1.007 -0.582 3.722) 3.899 6.441 ( -5.264 -3.039 -0.918) 6.147 6.510 ( -7.452 -4.302 -0.502) 8.619 7.113 ( 2.884 1.665 0.505) 3.368 11.660 ( 22.181 12.806 -16.098) 30.252 13.011 ( 1.247 0.720 0.236) 1.459 13.178 ( -5.976 -3.450 -9.041) 11.374 27.929 ( 3.073 1.774 -2.451) 4.312 30.028 ( 0.629 0.363 13.075) 13.096 ======================= Grid point 233 (71/288) ======================= q-point: ( 0.14 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.296 ( -0.000 6.531 6.943) 9.532 0.580 ( 0.000 22.439 5.268) 23.049 0.980 ( 0.000 47.757 0.974) 47.767 2.615 ( 0.000 7.641 -0.391) 7.651 4.612 ( 0.000 -9.756 -3.681) 10.427 4.649 ( 0.000 -1.848 -7.303) 7.533 6.225 ( -0.000 1.708 4.801) 5.096 6.328 ( 0.000 6.049 0.486) 6.068 6.377 ( 0.000 3.502 0.817) 3.596 7.176 ( -0.000 -1.972 0.382) 2.008 9.632 ( 0.000 121.940 -114.901) 167.546 12.964 ( 0.000 -4.377 -1.386) 4.592 13.027 ( -0.000 -0.078 0.108) 0.133 27.951 ( -0.000 -4.663 -0.918) 4.753 31.023 ( -0.000 -39.551 39.395) 55.824 ======================= Grid point 234 (72/288) ======================= q-point: ( 0.21 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.410 ( 2.067 7.007 4.208) 8.431 0.868 ( 6.743 23.023 2.091) 24.081 1.688 ( 24.877 37.111 1.494) 44.703 2.751 ( 5.516 9.401 -0.481) 10.911 4.326 ( -12.769 -12.050 -5.439) 18.380 4.694 ( 6.170 -1.850 -5.680) 8.588 6.214 ( -3.395 2.431 3.918) 5.726 6.453 ( 2.361 6.560 0.732) 7.010 6.468 ( 7.017 3.650 1.969) 8.151 7.124 ( -2.775 -3.322 0.511) 4.358 10.420 ( 26.866 46.392 -79.413) 95.814 12.812 ( -5.664 -10.795 -0.121) 12.191 13.101 ( 3.903 6.856 -4.495) 9.080 27.871 ( -2.539 -4.601 -2.428) 5.789 30.756 ( -10.942 -18.655 33.844) 40.164 ======================= Grid point 235 (73/288) ======================= q-point: ( 0.29 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.526 ( 2.305 6.710 0.194) 7.098 1.251 ( 11.250 20.722 0.772) 23.592 2.465 ( 26.911 27.068 1.568) 38.201 2.939 ( 4.772 7.786 -0.903) 9.176 3.955 ( -11.069 -13.572 -4.392) 18.056 4.765 ( 5.028 1.582 -5.381) 7.532 6.204 ( -2.541 2.355 3.737) 5.096 6.567 ( 3.103 5.697 0.842) 6.542 6.641 ( 7.753 4.162 1.557) 8.936 7.036 ( -2.267 -5.718 0.757) 6.197 10.679 ( 1.653 12.234 -42.033) 43.808 12.620 ( 2.305 -19.593 -1.681) 19.800 13.231 ( 1.437 15.507 -8.109) 17.558 27.766 ( -3.022 -3.787 -3.819) 6.169 30.594 ( -8.063 -8.839 26.246) 28.844 ======================= Grid point 236 (74/288) ======================= q-point: ( 0.36 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.619 ( 2.016 6.757 -5.107) 8.706 1.646 ( 11.347 18.771 0.735) 21.946 2.911 ( -10.089 0.900 -1.395) 10.225 3.157 ( 22.308 17.240 1.074) 28.213 3.758 ( 5.737 -10.409 -1.505) 11.980 4.851 ( 3.109 6.530 -5.441) 9.051 6.204 ( -2.244 2.463 3.937) 5.158 6.663 ( 2.398 3.249 0.521) 4.072 6.830 ( 8.327 4.649 0.977) 9.586 6.951 ( 0.192 -8.168 0.824) 8.212 10.426 ( -20.643 0.111 -17.915) 27.333 12.498 ( 10.831 -26.911 -2.977) 29.161 13.384 ( -0.703 21.364 -8.750) 23.097 27.667 ( -2.558 -2.840 -4.138) 5.633 30.508 ( -6.153 -5.304 20.128) 21.706 ======================= Grid point 237 (75/288) ======================= q-point: ( 0.43 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.696 ( 2.926 8.346 -10.512) 13.737 2.000 ( 8.677 16.707 1.063) 18.856 2.579 ( -20.527 -6.007 0.210) 21.389 3.655 ( 17.832 10.505 1.206) 20.731 3.862 ( 15.537 -10.650 -0.496) 18.844 4.950 ( 0.213 12.470 -5.594) 13.669 6.209 ( -2.245 2.690 4.383) 5.611 6.717 ( 1.530 0.540 0.380) 1.666 6.879 ( 2.885 -10.642 0.624) 11.044 7.031 ( 8.501 4.194 0.165) 9.481 9.912 ( -29.470 -2.799 -6.243) 30.253 12.411 ( 13.018 -30.394 -2.061) 33.128 13.546 ( -2.453 23.283 -6.855) 24.395 27.592 ( -1.575 -1.834 -3.538) 4.285 30.441 ( -5.370 -3.928 14.865) 16.286 ======================= Grid point 238 (76/288) ======================= q-point: ( 0.50 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.826 ( 7.195 12.213 -11.667) 18.359 2.166 ( -19.172 -6.603 3.696) 20.612 2.270 ( 2.962 13.873 1.227) 14.238 3.974 ( 11.154 2.873 0.616) 11.535 4.007 ( 15.855 -14.657 -0.911) 21.611 5.048 ( -3.677 17.544 -5.683) 18.805 6.218 ( -2.363 2.896 4.956) 6.207 6.736 ( 1.265 -1.520 0.590) 2.064 6.835 ( 5.778 -13.559 0.161) 14.740 7.198 ( 6.589 2.844 -0.554) 7.198 9.389 ( -26.376 0.468 -1.381) 26.416 12.326 ( 13.318 -30.504 -0.938) 33.298 13.689 ( -4.769 22.423 -4.132) 23.294 27.549 ( -0.320 -0.861 -2.449) 2.616 30.371 ( -5.042 -3.295 9.979) 11.656 ======================= Grid point 239 (77/288) ======================= q-point: ( 0.57 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.105 ( 13.517 16.201 -6.109) 21.966 1.806 ( -16.957 -6.417 5.817) 19.041 2.410 ( -2.503 10.906 1.089) 11.243 4.079 ( 13.779 -19.690 -1.695) 24.092 4.118 ( 4.328 -1.702 -0.254) 4.658 5.109 ( -8.063 19.623 -5.784) 21.990 6.228 ( -2.496 2.915 5.482) 6.692 6.742 ( 1.635 -2.718 1.009) 3.328 6.810 ( 8.081 -15.341 -0.176) 17.340 7.292 ( 2.663 0.426 -1.179) 2.944 9.068 ( -14.668 8.174 0.308) 16.794 12.270 ( 14.990 -28.755 -0.275) 32.429 13.783 ( -7.557 20.445 -1.914) 21.880 27.543 ( 1.029 -0.000 -1.298) 1.656 30.290 ( -4.721 -2.841 5.621) 7.871 ======================= Grid point 240 (78/288) ======================= q-point: (-0.36 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.446 ( -6.875 1.580 9.274) 11.652 1.602 ( 11.040 10.771 -3.001) 15.713 2.405 ( -8.871 7.224 0.916) 11.476 4.070 ( 10.629 -22.605 -2.306) 25.085 4.098 ( -2.452 -4.887 -0.989) 5.556 5.103 ( -11.528 18.353 -5.932) 22.470 6.236 ( -2.547 2.540 5.780) 6.808 6.748 ( 2.156 -3.609 1.277) 4.393 6.808 ( 8.910 -14.371 -0.190) 16.910 7.282 ( -2.159 -2.160 -1.711) 3.500 9.078 ( 1.084 17.421 0.709) 17.469 12.277 ( 17.862 -26.610 0.017) 32.049 13.816 ( -10.154 18.230 -0.534) 20.874 27.572 ( 2.345 0.703 -0.437) 2.487 30.205 ( -4.175 -2.338 2.319) 5.317 ======================= Grid point 241 (79/288) ======================= q-point: (-0.29 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.214 ( -13.353 -5.296 6.773) 15.882 2.100 ( 20.834 18.044 1.947) 27.630 2.264 ( -13.969 3.955 0.966) 14.551 3.927 ( -9.683 -7.720 -1.541) 12.480 3.981 ( 6.516 -22.767 -2.094) 23.773 5.033 ( -12.462 14.847 -6.048) 20.306 6.240 ( -2.438 1.705 5.710) 6.439 6.751 ( 1.410 -3.481 1.336) 3.987 6.828 ( 8.433 -11.658 -0.051) 14.388 7.167 ( -6.307 -4.113 -2.082) 7.812 9.442 ( 15.681 25.063 0.666) 29.572 12.350 ( 20.246 -25.272 0.079) 32.382 13.793 ( -12.094 16.065 0.018) 20.109 27.631 ( 3.494 1.210 -0.160) 3.701 30.126 ( -3.368 -1.754 0.726) 3.866 ======================= Grid point 242 (80/288) ======================= q-point: (-0.21 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.971 ( -12.102 -4.902 4.588) 13.840 2.007 ( -18.198 0.457 1.394) 18.257 2.637 ( 18.043 17.065 3.206) 25.040 3.596 ( -18.445 -9.727 -1.478) 20.905 3.844 ( 4.312 -20.393 -1.341) 20.887 4.932 ( -10.562 10.451 -6.022) 16.032 6.235 ( -2.178 0.579 5.239) 5.703 6.731 ( -1.458 -2.164 1.153) 2.853 6.865 ( 7.231 -8.409 -0.044) 11.090 6.985 ( -7.766 -5.010 -1.939) 9.443 10.067 ( 24.737 28.594 0.025) 37.809 12.456 ( 20.831 -24.948 -0.079) 32.502 13.723 ( -13.247 13.909 -0.542) 19.216 27.710 ( 4.288 1.454 -0.701) 4.582 30.066 ( -2.392 -1.155 1.520) 3.061 ======================= Grid point 243 (81/288) ======================= q-point: (-0.14 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.744 ( -11.136 -4.212 2.977) 12.273 1.670 ( -20.979 -1.874 1.765) 21.137 2.982 ( 0.211 7.088 1.966) 7.359 3.101 ( -24.911 -8.394 -1.599) 26.336 3.800 ( 12.663 -11.138 0.448) 16.870 4.837 ( -7.163 6.525 -5.631) 11.207 6.222 ( -1.768 -0.652 4.422) 4.806 6.662 ( -5.385 -0.654 0.481) 5.446 6.772 ( -7.984 -4.368 -1.560) 9.233 6.944 ( 7.239 -5.169 0.540) 8.911 10.787 ( 26.484 26.501 -3.173) 37.600 12.558 ( 19.442 -23.913 -0.644) 30.826 13.610 ( -13.785 11.345 -3.037) 18.110 27.794 ( 4.511 1.355 -2.140) 5.173 30.040 ( -1.208 -0.586 5.706) 5.862 ======================= Grid point 244 (82/288) ======================= q-point: (-0.07 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.535 ( -10.310 -3.183 2.394) 11.053 1.276 ( -22.826 -3.376 1.795) 23.144 2.423 ( -37.742 -7.783 -0.378) 38.538 2.954 ( -9.972 -0.531 -0.209) 9.988 4.062 ( 20.872 -1.150 0.260) 20.906 4.773 ( -3.870 4.253 -4.644) 7.392 6.201 ( -1.206 -1.874 3.316) 3.995 6.547 ( -7.826 1.244 0.023) 7.924 6.599 ( -7.323 -3.477 -0.256) 8.110 7.032 ( 6.467 -1.946 0.577) 6.778 11.382 ( 20.108 16.021 -16.725) 30.671 12.653 ( 16.466 -16.796 -1.220) 23.553 13.442 ( -14.213 7.330 -8.298) 18.017 27.866 ( 4.072 0.880 -3.994) 5.771 30.078 ( 1.270 0.069 15.678) 15.729 ======================= Grid point 248 (83/288) ======================= q-point: ( 0.21 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.490 ( -0.000 8.503 3.147) 9.067 1.054 ( 0.000 21.613 3.480) 21.891 1.894 ( 0.000 43.656 0.567) 43.660 2.803 ( 0.000 10.698 -0.579) 10.714 4.329 ( -0.000 -14.633 -3.035) 14.945 4.542 ( 0.000 -1.744 -8.635) 8.809 6.309 ( -0.000 2.110 5.389) 5.787 6.437 ( 0.000 5.280 0.884) 5.354 6.514 ( 0.000 8.367 0.668) 8.393 7.131 ( -0.000 -2.982 0.754) 3.076 10.329 ( 0.000 39.668 -64.038) 75.329 12.869 ( 0.000 -0.650 -6.388) 6.421 13.014 ( -0.000 -1.503 0.007) 1.503 27.830 ( 0.000 -5.761 -2.407) 6.243 30.789 ( -0.000 -18.147 29.423) 34.569 ======================= Grid point 249 (84/288) ======================= q-point: ( 0.29 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.588 ( 0.214 8.831 0.307) 8.839 1.331 ( 5.985 21.624 2.218) 22.547 2.430 ( 13.369 35.856 0.875) 38.277 2.939 ( 4.259 8.800 -0.829) 9.812 4.015 ( -13.992 -14.348 -3.671) 20.374 4.612 ( 9.966 -0.317 -7.044) 12.209 6.309 ( -3.678 3.295 4.525) 6.698 6.564 ( 6.301 5.055 1.247) 8.174 6.606 ( 0.871 7.456 0.750) 7.544 7.054 ( -4.824 -4.225 1.054) 6.499 10.495 ( 11.367 14.160 -42.080) 45.830 12.604 ( -16.314 -8.555 -1.864) 18.515 13.196 ( 12.159 7.664 -6.564) 15.801 27.747 ( -1.614 -5.208 -2.998) 6.222 30.712 ( -4.450 -11.765 24.754) 27.766 ======================= Grid point 250 (85/288) ======================= q-point: ( 0.36 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.669 ( -0.308 9.189 -3.736) 9.924 1.687 ( 9.103 21.627 1.528) 23.514 2.994 ( 14.199 23.803 1.270) 27.746 3.073 ( 2.721 6.826 -1.894) 7.589 3.621 ( -9.701 -16.794 -2.002) 19.498 4.780 ( 9.747 5.466 -6.191) 12.776 6.305 ( -3.279 4.121 4.346) 6.828 6.683 ( 0.366 4.840 0.717) 4.907 6.738 ( 7.721 4.656 0.751) 9.048 6.913 ( -5.192 -7.320 1.503) 9.099 10.546 ( 0.714 1.048 -23.642) 23.676 12.221 ( -10.364 -18.647 -0.474) 21.339 13.459 ( 8.974 14.758 -8.031) 19.048 27.656 ( -1.919 -3.991 -3.268) 5.504 30.631 ( -5.206 -7.544 20.034) 22.031 ======================= Grid point 251 (86/288) ======================= q-point: ( 0.43 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.734 ( -0.226 10.955 -7.935) 13.528 2.059 ( 8.288 21.293 1.527) 22.900 2.899 ( -20.445 -0.208 -1.367) 20.492 3.466 ( 14.360 -6.985 -0.327) 15.973 3.494 ( 13.252 4.136 0.801) 13.906 4.991 ( 7.452 12.164 -5.664) 15.349 6.315 ( -3.101 4.790 4.535) 7.289 6.714 ( -0.565 0.123 1.138) 1.276 6.759 ( -2.179 -10.472 1.263) 10.770 6.923 ( 8.158 3.999 -0.075) 9.086 10.314 ( -18.607 -0.753 -10.394) 21.326 11.924 ( 3.427 -28.135 -1.235) 28.369 13.713 ( 4.913 18.642 -6.512) 20.349 27.581 ( -1.391 -2.673 -2.949) 4.216 30.554 ( -5.373 -5.452 15.423) 17.218 ======================= Grid point 252 (87/288) ======================= q-point: ( 0.50 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.837 ( 2.650 15.026 -9.392) 17.917 2.377 ( 2.654 18.419 1.945) 18.710 2.501 ( -20.989 -1.665 1.299) 21.095 3.548 ( 15.797 -18.948 -1.453) 24.711 3.819 ( 11.926 5.100 0.681) 12.989 5.210 ( 3.359 17.547 -5.359) 18.652 6.331 ( -3.237 5.293 4.918) 7.917 6.614 ( 1.480 -15.767 1.463) 15.904 6.712 ( -0.581 -1.914 0.857) 2.176 7.089 ( 7.870 1.716 -0.872) 8.102 9.877 ( -27.335 2.335 -3.327) 27.636 11.758 ( 12.379 -33.035 -1.330) 35.303 13.929 ( 0.562 19.825 -4.152) 20.263 27.533 ( -0.416 -1.485 -2.226) 2.708 30.470 ( -5.526 -4.395 10.990) 13.062 ======================= Grid point 253 (88/288) ======================= q-point: ( 0.57 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.067 ( 8.718 19.468 -5.942) 22.143 2.094 ( -20.384 -4.208 4.159) 21.225 2.608 ( -2.098 18.244 1.484) 18.424 3.605 ( 15.181 -21.930 -2.463) 26.785 4.000 ( 7.308 -1.824 -0.021) 7.532 5.385 ( -2.677 20.318 -5.358) 21.182 6.349 ( -3.556 5.387 5.390) 8.409 6.508 ( 5.560 -18.295 0.724) 19.135 6.683 ( 0.864 -4.782 1.466) 5.076 7.206 ( 5.840 -1.202 -1.497) 6.148 9.482 ( -22.311 8.775 -0.595) 23.982 11.671 ( 16.391 -33.771 -0.685) 37.545 14.080 ( -3.830 19.048 -2.199) 19.553 27.519 ( 0.759 -0.527 -1.430) 1.703 30.374 ( -5.515 -3.687 7.035) 9.670 ======================= Grid point 254 (89/288) ======================= q-point: (-0.36 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.461 ( 14.676 21.728 -0.603) 26.227 1.746 ( -17.707 -4.458 4.822) 18.886 2.681 ( -9.219 14.750 1.342) 17.446 3.611 ( 13.486 -23.876 -3.212) 27.609 4.041 ( 2.371 -5.926 -0.806) 6.433 5.457 ( -9.522 19.613 -5.404) 22.462 6.359 ( -4.157 4.840 5.806) 8.626 6.456 ( 9.456 -18.305 0.104) 20.603 6.673 ( 3.342 -5.743 1.855) 6.899 7.243 ( 2.134 -3.771 -1.936) 4.746 9.333 ( -9.245 17.306 0.195) 19.621 11.648 ( 19.509 -32.425 -0.163) 37.842 14.152 ( -7.722 16.999 -1.034) 18.699 27.536 ( 1.980 0.176 -0.881) 2.174 30.273 ( -5.134 -2.989 4.104) 7.220 ======================= Grid point 255 (90/288) ======================= q-point: (-0.29 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.438 ( -15.588 -4.333 4.484) 16.789 1.970 ( 18.506 21.727 2.581) 28.656 2.597 ( -15.413 10.225 1.164) 18.533 3.568 ( 11.224 -24.552 -3.537) 27.226 3.962 ( -3.461 -7.331 -1.209) 8.197 5.402 ( -14.381 15.803 -5.050) 21.956 6.348 ( -4.520 2.998 5.710) 7.875 6.476 ( 12.301 -15.433 -0.166) 19.736 6.698 ( 4.102 -4.129 1.806) 6.095 7.188 ( -2.367 -4.971 -2.151) 5.911 9.517 ( 5.853 25.020 0.203) 25.696 11.696 ( 22.219 -30.447 -0.025) 37.692 14.144 ( -10.622 14.066 -0.655) 17.638 27.580 ( 3.117 0.630 -0.844) 3.290 30.181 ( -4.304 -2.214 2.830) 5.607 ======================= Grid point 256 (91/288) ======================= q-point: (-0.21 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.164 ( -13.698 -4.002 2.875) 14.557 2.365 ( -17.764 5.399 1.608) 18.636 2.533 ( 17.084 21.064 3.359) 27.328 3.484 ( 8.946 -24.049 -3.360) 25.878 3.764 ( -11.133 -6.673 -1.038) 13.021 5.251 ( -15.631 10.870 -4.393) 19.539 6.316 ( -3.895 0.590 4.789) 6.201 6.564 ( 12.594 -10.230 0.136) 16.226 6.732 ( 2.373 -2.192 1.381) 3.513 7.056 ( -6.301 -4.386 -1.947) 7.921 9.994 ( 17.756 28.124 -0.576) 33.265 11.801 ( 23.563 -27.659 -0.244) 36.336 14.064 ( -12.398 10.382 -1.202) 16.216 27.644 ( 4.003 0.821 -1.515) 4.358 30.113 ( -3.076 -1.435 3.796) 5.092 ======================= Grid point 257 (92/288) ======================= q-point: (-0.14 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.916 ( -12.167 -3.253 1.305) 12.662 2.047 ( -22.047 1.065 1.083) 22.099 3.025 ( 10.319 19.060 2.675) 21.839 3.398 ( 8.402 -19.430 -2.435) 21.308 3.444 ( -15.991 -5.877 -0.464) 17.043 5.065 ( -13.438 6.314 -3.656) 15.291 6.270 ( -3.008 -1.453 3.418) 4.779 6.687 ( 6.958 -2.863 0.644) 7.551 6.750 ( 3.527 -2.392 0.613) 4.305 6.885 ( -8.546 -2.377 -0.993) 8.926 10.600 ( 23.062 21.295 -3.581) 31.594 11.958 ( 23.121 -19.804 -0.505) 30.447 13.915 ( -13.393 5.877 -3.183) 14.968 27.715 ( 4.442 0.701 -2.912) 5.357 30.086 ( -1.452 -0.773 7.513) 7.691 ======================= Grid point 258 (93/288) ======================= q-point: (-0.07 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.697 ( -10.776 -2.035 0.418) 10.974 1.659 ( -23.334 -1.256 0.580) 23.375 2.972 ( -28.467 0.194 0.419) 28.471 3.110 ( -8.209 -0.500 -0.767) 8.260 3.657 ( 23.124 -0.140 -0.678) 23.134 4.904 ( -8.760 3.084 -2.782) 9.695 6.217 ( -2.037 -2.705 2.017) 3.941 6.672 ( -4.153 -1.217 0.169) 4.331 6.720 ( -9.245 2.323 0.506) 9.546 6.881 ( 9.387 -0.412 0.715) 9.424 11.067 ( 20.714 0.049 -12.427) 24.156 12.231 ( 21.128 0.093 -0.217) 21.129 13.688 ( -14.402 0.236 -7.115) 16.065 27.780 ( 4.344 0.239 -4.569) 6.308 30.121 ( 1.034 -0.422 14.490) 14.533 ======================= Grid point 263 (94/288) ======================= q-point: ( 0.29 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.678 ( 0.000 9.775 -1.651) 9.914 1.487 ( 0.000 19.589 2.288) 19.722 2.692 ( 0.000 36.212 0.639) 36.217 2.961 ( 0.000 3.780 -0.835) 3.871 4.051 ( -0.000 -9.188 -1.811) 9.364 4.439 ( 0.000 -1.244 -8.083) 8.178 6.396 ( -0.000 2.144 4.830) 5.284 6.568 ( 0.000 7.438 0.440) 7.451 6.681 ( 0.000 7.545 0.759) 7.583 7.077 ( -0.000 -3.085 0.800) 3.187 10.307 ( 0.000 1.468 -29.491) 29.528 12.865 ( 0.000 8.191 -10.919) 13.650 12.961 ( -0.000 -3.833 -0.116) 3.835 27.695 ( 0.000 -5.368 -2.695) 6.007 30.736 ( -0.000 -10.691 21.745) 24.231 ======================= Grid point 264 (95/288) ======================= q-point: ( 0.36 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.759 ( -0.639 10.539 -4.674) 11.547 1.750 ( 7.370 19.011 1.808) 20.470 2.997 ( 5.667 -2.939 -1.651) 6.594 3.088 ( 5.705 28.098 1.337) 28.702 3.770 ( -19.178 -5.867 -1.951) 20.150 4.577 ( 14.966 2.649 -5.998) 16.339 6.414 ( -2.288 3.312 4.099) 5.745 6.686 ( 4.087 6.502 0.509) 7.697 6.748 ( -0.564 6.042 0.597) 6.097 6.980 ( -7.196 -4.129 1.031) 8.360 10.266 ( 10.965 -10.265 -17.982) 23.430 12.460 ( -27.157 -3.917 -3.223) 27.627 13.300 ( 19.315 9.156 -6.987) 22.488 27.626 ( -0.903 -4.465 -2.516) 5.204 30.703 ( -2.673 -8.259 18.197) 20.162 ======================= Grid point 265 (96/288) ======================= q-point: ( 0.43 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.829 ( -0.912 12.322 -7.555) 14.483 2.108 ( 10.749 19.297 1.685) 22.153 3.047 ( 9.145 -10.292 -2.038) 13.918 3.335 ( -21.798 -4.252 -0.384) 22.212 3.455 ( 6.731 17.444 1.042) 18.727 4.876 ( 15.294 8.790 -4.705) 18.257 6.431 ( -2.310 4.757 3.674) 6.439 6.744 ( -5.553 -4.689 1.946) 7.524 6.779 ( -3.365 0.905 0.894) 3.597 6.858 ( 2.856 4.075 -0.492) 5.001 10.269 ( 9.075 -14.363 -10.064) 19.747 11.915 ( -25.275 -11.270 -1.240) 27.701 13.677 ( 14.627 13.431 -6.009) 20.747 27.561 ( -0.963 -3.152 -2.173) 3.947 30.643 ( -4.132 -6.349 14.347) 16.224 ======================= Grid point 266 (97/288) ======================= q-point: ( 0.50 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.927 ( 0.799 15.940 -8.280) 17.980 2.484 ( 8.947 19.656 1.816) 21.673 2.885 ( -24.765 -1.075 0.321) 24.790 3.099 ( 13.524 -19.327 -1.440) 23.633 3.717 ( 7.034 8.318 0.829) 10.925 5.210 ( 12.506 13.631 -4.049) 18.936 6.457 ( -2.758 5.154 3.327) 6.726 6.526 ( -6.712 -11.678 1.911) 13.604 6.744 ( -3.648 0.017 1.900) 4.113 6.978 ( 5.966 2.113 -1.417) 6.486 10.164 ( -4.910 -8.681 -4.697) 11.024 11.424 ( -11.799 -20.419 -0.653) 23.592 14.001 ( 9.180 14.912 -3.923) 17.946 27.516 ( -0.434 -1.883 -1.651) 2.541 30.561 ( -5.056 -5.113 10.441) 12.678 ======================= Grid point 267 (98/288) ======================= q-point: ( 0.57 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.123 ( 5.281 20.023 -5.572) 21.444 2.454 ( -23.360 -1.951 2.919) 23.623 2.801 ( 3.601 18.273 1.075) 18.656 3.133 ( 13.740 -19.832 -2.121) 24.220 3.862 ( 5.769 -1.197 0.145) 5.894 5.518 ( 7.221 17.173 -3.959) 19.045 6.306 ( -2.481 -15.200 1.375) 15.462 6.490 ( -2.622 5.736 2.846) 6.920 6.670 ( -4.138 -3.252 3.215) 6.167 7.077 ( 6.036 -1.753 -2.026) 6.604 9.914 ( -17.412 3.020 -1.481) 17.734 11.131 ( 5.744 -28.578 -0.589) 29.155 14.242 ( 3.438 14.396 -2.137) 14.954 27.496 ( 0.421 -0.867 -1.114) 1.473 30.461 ( -5.557 -4.210 6.884) 9.797 ======================= Grid point 268 (99/288) ======================= q-point: ( 0.64 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.454 ( 10.804 21.757 -1.537) 24.341 2.066 ( -21.139 -2.066 3.861) 21.588 2.965 ( -2.041 11.135 -0.092) 11.321 3.157 ( 9.999 -15.537 -1.464) 18.535 3.904 ( 4.824 -7.439 -0.742) 8.897 5.733 ( -1.780 19.015 -4.449) 19.610 6.165 ( 3.628 -15.428 0.632) 15.861 6.512 ( -1.815 4.264 2.530) 5.280 6.580 ( -2.584 -6.046 4.613) 8.031 7.130 ( 4.860 -4.500 -2.329) 7.021 9.700 ( -14.678 13.453 -0.314) 19.913 11.024 ( 15.380 -30.713 -0.232) 34.350 14.380 ( -2.053 12.407 -1.062) 12.620 27.503 ( 1.415 -0.153 -0.778) 1.622 30.352 ( -5.511 -3.353 4.231) 7.715 ======================= Grid point 269 (100/288) ======================= q-point: (-0.29 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.691 ( -15.184 -2.063 0.637) 15.337 1.924 ( 12.058 20.598 4.406) 24.272 2.955 ( -9.680 7.481 -0.394) 12.240 3.137 ( 7.537 -17.022 -1.763) 18.699 3.889 ( 2.734 -7.600 -1.100) 8.151 5.767 ( -12.141 15.550 -4.440) 20.222 6.142 ( 9.554 -12.117 0.265) 15.433 6.494 ( -6.119 0.995 5.588) 8.346 6.564 ( 6.168 -4.616 1.387) 7.828 7.134 ( 1.967 -4.559 -2.159) 5.414 9.714 ( -2.674 20.183 -0.139) 20.360 11.036 ( 20.109 -28.244 -0.030) 34.672 14.408 ( -6.705 9.276 -0.684) 11.466 27.533 ( 2.411 0.283 -0.851) 2.572 30.249 ( -4.826 -2.452 3.082) 6.229 ======================= Grid point 270 (101/288) ======================= q-point: (-0.21 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.387 ( -15.772 -2.916 0.507) 16.047 2.408 ( 17.902 15.864 4.197) 24.284 2.775 ( -18.178 5.918 0.336) 19.120 3.093 ( 9.182 -17.683 -2.844) 20.127 3.831 ( -3.047 -3.658 -0.616) 4.801 5.611 ( -16.836 8.359 -3.314) 19.087 6.250 ( 13.188 -6.356 0.447) 14.647 6.416 ( -5.212 -1.234 3.921) 6.638 6.646 ( 5.828 -2.071 0.927) 6.254 7.090 ( -2.236 -2.078 -1.439) 3.375 9.982 ( 10.393 18.246 -0.639) 21.008 11.158 ( 22.617 -19.981 -0.159) 30.180 14.330 ( -10.172 5.181 -1.038) 11.463 27.581 ( 3.257 0.459 -1.497) 3.614 30.172 ( -3.539 -1.586 3.919) 5.514 ======================= Grid point 271 (102/288) ======================= q-point: (-0.14 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.108 ( -13.678 -2.333 -1.293) 13.935 2.426 ( -20.762 -0.973 0.768) 20.799 2.867 ( 20.552 -7.766 0.382) 21.974 3.124 ( 5.433 7.861 -0.114) 9.556 3.695 ( -11.394 0.863 0.207) 11.428 5.360 ( -16.733 2.567 -2.285) 17.082 6.322 ( -4.074 -3.008 2.156) 5.503 6.461 ( 13.630 0.014 0.881) 13.658 6.710 ( 2.837 -0.961 0.204) 3.002 7.009 ( -6.236 1.432 -0.271) 6.404 10.338 ( 18.841 0.040 -2.585) 19.018 11.446 ( 23.663 -0.024 -0.293) 23.665 14.155 ( -12.574 0.245 -2.423) 12.807 27.637 ( 3.785 0.356 -2.739) 4.686 30.137 ( -1.737 -0.927 6.978) 7.250 ======================= Grid point 272 (103/288) ======================= q-point: (-0.07 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.865 ( -11.533 -1.276 -2.805) 11.938 2.035 ( -22.298 -2.589 0.244) 22.449 2.952 ( 11.669 -19.421 -2.618) 22.808 3.458 ( -11.201 9.430 1.739) 14.745 3.460 ( 1.107 16.534 0.854) 16.593 5.096 ( -13.257 -1.117 -1.684) 13.410 6.234 ( -2.851 -3.621 1.047) 4.726 6.688 ( 4.847 1.733 0.703) 5.195 6.741 ( 5.795 2.285 0.069) 6.230 6.911 ( -8.492 4.366 0.872) 9.588 10.556 ( 21.060 -20.356 -6.655) 30.036 11.953 ( 23.052 19.420 -0.818) 30.153 13.883 ( -14.556 -5.376 -5.228) 16.374 27.690 ( 3.904 -0.060 -4.245) 5.768 30.159 ( 0.608 -0.706 12.104) 12.139 ======================= Grid point 278 (104/288) ======================= q-point: ( 0.36 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.849 ( 0.000 11.594 -6.973) 13.529 1.862 ( 0.000 16.639 1.532) 16.710 2.859 ( -0.000 -12.367 -1.095) 12.415 3.330 ( 0.000 26.772 1.313) 26.804 4.002 ( 0.000 4.666 -0.471) 4.689 4.359 ( 0.000 -0.580 -6.028) 6.056 6.472 ( -0.000 1.827 3.486) 3.936 6.734 ( 0.000 9.009 -0.097) 9.009 6.815 ( 0.000 5.328 0.787) 5.386 7.023 ( -0.000 -2.850 0.368) 2.874 9.954 ( 0.000 -17.956 -10.486) 20.793 12.864 ( -0.000 -5.739 -0.077) 5.740 12.997 ( 0.000 13.676 -10.082) 16.991 27.581 ( 0.000 -4.045 -1.949) 4.490 30.720 ( -0.000 -7.547 15.420) 17.167 ======================= Grid point 279 (105/288) ======================= q-point: ( 0.43 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.932 ( -0.373 13.348 -9.077) 16.146 2.105 ( 9.034 15.348 1.331) 17.859 2.755 ( 5.588 -17.499 -0.636) 18.381 3.585 ( 1.275 20.096 1.363) 20.182 3.750 ( -24.516 3.056 -1.172) 24.733 4.616 ( 20.681 5.239 -3.452) 21.612 6.501 ( -0.169 2.418 2.646) 3.588 6.816 ( -2.075 4.810 0.087) 5.239 6.850 ( -1.703 3.769 0.729) 4.200 6.922 ( -6.529 -0.977 0.308) 6.609 9.835 ( 12.019 -21.475 -5.621) 25.243 12.375 ( -32.826 -2.851 -2.153) 33.020 13.439 ( 23.129 10.083 -5.438) 25.810 27.534 ( -0.415 -3.050 -1.464) 3.408 30.691 ( -2.152 -6.366 12.131) 13.868 ======================= Grid point 280 (106/288) ======================= q-point: ( 0.50 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.038 ( 0.735 16.439 -9.187) 18.846 2.459 ( 13.505 14.163 1.153) 19.603 2.699 ( 9.821 -19.858 -0.128) 22.154 3.327 ( -26.339 1.568 -0.467) 26.390 3.764 ( 0.265 11.709 1.191) 11.772 5.026 ( 19.875 8.926 -2.415) 21.920 6.539 ( -0.212 3.386 1.658) 3.776 6.618 ( -13.302 -6.950 1.300) 15.064 6.836 ( -3.901 1.839 1.939) 4.729 6.940 ( 0.996 4.648 -1.339) 4.939 9.852 ( 15.270 -20.391 -2.923) 25.642 11.745 ( -34.151 -5.531 -1.216) 34.617 13.877 ( 18.036 10.619 -3.381) 21.201 27.497 ( -0.313 -1.922 -1.003) 2.191 30.628 ( -3.777 -5.270 8.650) 10.810 ======================= Grid point 281 (107/288) ======================= q-point: ( 0.57 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.218 ( 3.754 19.750 -6.469) 21.118 2.644 ( 10.448 -19.400 -0.248) 22.036 2.854 ( -1.620 9.235 4.439) 10.374 2.912 ( -9.763 3.951 -2.950) 10.938 3.829 ( -1.425 2.589 0.709) 3.039 5.434 ( 17.063 11.050 -1.906) 20.418 6.312 ( -11.848 -9.806 1.257) 15.431 6.573 ( -1.571 3.200 -0.076) 3.566 6.780 ( -5.535 1.506 4.467) 7.270 6.977 ( 1.860 -0.474 -2.498) 3.151 9.906 ( 11.268 -13.263 -1.313) 17.452 11.131 ( -27.505 -9.173 -0.587) 29.000 14.223 ( 11.757 9.816 -1.758) 15.416 27.478 ( 0.159 -0.954 -0.598) 1.137 30.536 ( -4.869 -4.309 5.392) 8.447 ======================= Grid point 282 (108/288) ======================= q-point: ( 0.64 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.498 ( 7.674 20.347 -2.482) 21.887 2.454 ( -23.371 -0.745 3.757) 23.683 2.652 ( 11.737 -19.853 -3.751) 23.366 3.213 ( 6.820 16.029 1.394) 17.475 3.778 ( -1.477 -6.889 -0.246) 7.050 5.798 ( 12.181 13.118 -1.951) 18.007 6.060 ( -5.964 -9.790 0.719) 11.486 6.514 ( -4.945 -3.638 -0.625) 6.171 6.736 ( -6.570 5.091 5.893) 10.189 6.986 ( 4.447 -4.849 -3.181) 7.308 9.962 ( 1.889 2.596 -0.440) 3.240 10.664 ( -10.303 -17.426 -0.215) 20.245 14.450 ( 5.135 7.724 -0.772) 9.307 27.479 ( 0.841 -0.253 -0.349) 0.945 30.428 ( -5.294 -3.370 2.891) 6.910 ======================= Grid point 283 (109/288) ======================= q-point: (-0.29 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.812 ( 6.158 11.738 -0.678) 13.273 2.099 ( -16.251 2.200 3.572) 16.783 2.675 ( 12.750 -14.419 -3.022) 19.483 3.356 ( -10.922 12.592 1.823) 16.768 3.712 ( 7.167 -9.511 -1.223) 11.972 5.946 ( 2.161 -6.201 0.290) 6.574 6.051 ( -1.506 16.338 -3.351) 16.745 6.381 ( 1.403 -11.684 2.242) 11.980 6.670 ( -7.745 1.992 3.261) 8.637 7.023 ( 5.284 -2.532 -1.965) 6.180 10.003 ( -8.982 16.912 -0.228) 19.150 10.482 ( 13.734 -23.054 0.030) 26.835 14.542 ( -1.135 4.511 -0.374) 4.666 27.498 ( 1.598 0.185 -0.396) 1.656 30.320 ( -4.932 -2.417 1.706) 5.751 ======================= Grid point 284 (110/288) ======================= q-point: (-0.21 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.652 ( -17.838 -1.307 -1.554) 17.953 2.208 ( 14.253 -3.747 2.874) 15.015 2.815 ( 11.554 4.819 -1.327) 12.589 3.138 ( -17.950 -1.931 0.744) 18.069 3.797 ( 4.784 1.051 -0.232) 4.903 5.948 ( -16.519 3.825 -2.183) 17.096 6.019 ( 9.564 -0.164 0.413) 9.574 6.433 ( 6.186 -3.736 2.669) 7.704 6.567 ( -2.643 -1.957 0.178) 3.293 7.082 ( 2.169 1.631 -0.650) 2.791 9.992 ( -1.165 0.172 -0.341) 1.226 10.676 ( 21.056 -0.126 -0.116) 21.057 14.498 ( -6.487 0.324 -0.527) 6.517 27.532 ( 2.290 0.382 -0.885) 2.485 30.233 ( -3.793 -1.546 2.272) 4.684 ======================= Grid point 285 (111/288) ======================= q-point: (-0.14 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( -16.213 -1.325 -3.749) 16.693 2.363 ( 16.539 -18.525 0.681) 24.843 2.773 ( -18.806 -7.126 0.243) 20.112 3.147 ( 10.655 21.103 1.224) 23.672 3.847 ( -2.965 5.029 0.563) 5.865 5.646 ( -17.345 -3.283 -1.054) 17.685 6.255 ( 13.241 6.212 0.813) 14.648 6.372 ( -4.609 -4.760 1.002) 6.701 6.629 ( 5.952 0.478 -0.296) 5.979 7.111 ( -2.211 4.344 0.173) 4.877 9.975 ( 9.876 -18.110 -1.114) 20.658 11.155 ( 22.578 19.875 -0.428) 30.083 14.325 ( -10.673 -4.617 -1.383) 11.711 27.573 ( 2.773 0.326 -1.885) 3.368 30.185 ( -2.014 -0.942 4.737) 5.232 ======================= Grid point 286 (112/288) ======================= q-point: (-0.07 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.047 ( -13.399 -0.621 -6.299) 14.819 2.346 ( -15.635 -6.772 0.299) 17.041 2.485 ( 13.326 -19.622 -0.375) 23.722 3.548 ( 8.360 23.758 1.393) 25.224 3.794 ( -10.883 7.516 1.166) 13.277 5.304 ( -15.780 -6.674 -0.975) 17.161 6.251 ( -3.459 -4.674 0.442) 5.832 6.577 ( 12.595 10.079 1.102) 16.169 6.708 ( 2.482 1.203 -0.453) 2.795 7.091 ( -6.076 5.533 0.687) 8.247 9.963 ( 16.236 -27.468 -2.724) 32.024 11.790 ( 23.319 27.630 -0.965) 36.168 14.033 ( -13.902 -9.818 -3.244) 17.326 27.614 ( 2.957 -0.014 -3.210) 4.365 30.190 ( 0.217 -0.805 8.798) 8.838 ======================= Grid point 293 (113/288) ======================= q-point: ( 0.43 0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.029 ( 0.000 14.854 -10.817) 18.376 2.161 ( 0.000 12.393 0.928) 12.428 2.524 ( -0.000 -19.420 0.377) 19.424 3.770 ( 0.000 16.586 1.492) 16.653 4.150 ( 0.000 8.712 -0.037) 8.712 4.315 ( 0.000 0.002 -2.950) 2.950 6.525 ( -0.000 1.240 1.663) 2.074 6.889 ( 0.000 5.564 -2.963) 6.304 6.925 ( -0.000 6.050 3.288) 6.886 6.973 ( -0.000 -2.323 -0.095) 2.325 9.488 ( -0.000 -22.031 -2.419) 22.164 12.746 ( -0.000 -5.903 0.052) 5.903 13.195 ( 0.000 12.612 -5.938) 13.940 27.505 ( 0.000 -2.439 -0.892) 2.597 30.696 ( -0.000 -5.768 9.232) 10.886 ======================= Grid point 294 (114/288) ======================= q-point: ( 0.50 0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.145 ( 0.961 17.357 -10.855) 20.495 2.354 ( 6.844 -3.475 0.741) 7.712 2.387 ( 8.353 -6.716 0.861) 10.753 3.802 ( -25.947 2.796 0.115) 26.097 3.908 ( -2.850 11.013 1.105) 11.430 4.706 ( 24.418 5.254 -0.945) 24.995 6.552 ( 1.248 1.295 0.648) 1.912 6.812 ( -12.879 -2.588 0.236) 13.138 6.905 ( -1.994 2.112 -1.105) 3.108 7.008 ( -0.871 5.783 1.427) 6.020 9.388 ( 12.371 -19.305 -1.072) 22.954 12.305 ( -33.703 -2.818 -0.816) 33.830 13.587 ( 23.704 8.049 -2.752) 25.184 27.481 ( -0.129 -1.590 -0.432) 1.652 30.658 ( -1.983 -4.926 6.030) 8.035 ======================= Grid point 295 (115/288) ======================= q-point: ( 0.57 0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.322 ( 3.216 19.826 -8.179) 21.686 2.280 ( 7.906 -20.125 0.540) 21.629 2.707 ( 17.130 7.936 0.238) 18.881 3.356 ( -27.518 1.014 1.052) 27.557 3.936 ( -4.682 4.943 1.040) 6.887 5.164 ( 22.857 5.726 -0.252) 23.565 6.504 ( -17.228 -4.516 0.571) 17.819 6.597 ( 1.398 1.490 -0.376) 2.077 6.867 ( -3.157 0.493 -0.522) 3.238 7.019 ( -3.945 3.287 1.067) 5.244 9.484 ( 17.539 -13.857 -0.551) 22.359 11.660 ( -37.064 -2.462 -0.515) 37.149 14.025 ( 19.559 6.116 -1.130) 20.524 27.467 ( 0.026 -0.764 -0.053) 0.767 30.585 ( -3.563 -4.020 2.943) 6.125 ======================= Grid point 296 (116/288) ======================= q-point: ( 0.64 0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.564 ( 5.346 17.873 -3.573) 18.994 2.253 ( 10.875 -16.524 -1.378) 19.830 2.901 ( -26.116 -0.059 1.422) 26.155 3.087 ( 17.951 5.776 0.441) 18.862 3.850 ( -8.382 -0.325 0.690) 8.417 5.589 ( 20.580 4.853 0.340) 21.147 6.176 ( -14.862 -4.155 0.303) 15.435 6.595 ( -4.343 0.648 -1.122) 4.532 6.841 ( 1.776 -0.372 -0.888) 2.021 6.947 ( -6.948 0.351 1.568) 7.131 9.694 ( 18.529 -6.039 -0.139) 19.488 11.022 ( -33.978 -2.199 -0.189) 34.050 14.350 ( 12.826 3.780 -0.223) 13.373 27.466 ( 0.388 -0.106 0.226) 0.461 30.488 ( -4.501 -3.082 0.464) 5.474 ======================= Grid point 297 (117/288) ======================= q-point: (-0.29 -0.57 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.775 ( 6.631 2.725 0.999) 7.238 2.317 ( 4.309 -4.862 -6.925) 9.495 2.510 ( -15.152 3.650 5.478) 16.520 3.417 ( 16.217 -1.799 -0.842) 16.339 3.664 ( -12.280 0.960 0.789) 12.343 5.950 ( 5.411 0.506 0.473) 5.455 5.964 ( 5.341 0.726 0.475) 5.411 6.450 ( -11.370 -0.112 -1.012) 11.416 6.792 ( -5.409 -6.600 -1.965) 8.757 6.932 ( 3.260 4.836 1.833) 6.114 9.995 ( 19.345 0.259 0.121) 19.347 10.483 ( -26.568 0.169 -0.012) 26.568 14.529 ( 5.527 0.527 0.179) 5.555 27.480 ( 0.856 0.346 0.319) 0.977 30.381 ( -4.597 -2.146 -0.884) 5.149 ======================= Grid point 298 (118/288) ======================= q-point: (-0.21 0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.851 ( 5.503 -9.243 2.135) 10.967 2.016 ( -16.223 -7.214 -2.851) 17.982 2.732 ( 12.415 18.260 1.205) 22.114 3.320 ( -10.047 -14.803 -0.822) 17.909 3.735 ( 6.479 10.084 0.444) 11.994 5.940 ( 2.588 5.583 -0.134) 6.155 6.137 ( -1.378 -15.072 2.715) 15.377 6.317 ( 0.532 12.819 -2.277) 13.030 6.611 ( -6.055 -7.446 -1.128) 9.663 7.057 ( 4.228 5.176 0.609) 6.710 10.007 ( -9.238 -16.655 0.090) 19.046 10.481 ( 13.620 23.271 -0.014) 26.963 14.549 ( -1.425 -3.648 0.157) 3.919 27.504 ( 1.316 0.585 0.082) 1.442 30.288 ( -3.792 -1.334 -0.675) 4.076 ======================= Grid point 299 (119/288) ======================= q-point: (-0.14 0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.611 ( -19.681 -0.304 -4.907) 20.286 1.916 ( 13.481 -19.997 2.944) 24.296 2.960 ( -13.934 -13.789 0.124) 19.603 3.172 ( 12.847 23.623 0.743) 26.901 3.910 ( 2.949 7.902 0.451) 8.446 5.845 ( -13.505 -12.137 0.626) 18.168 6.143 ( 10.222 11.866 0.313) 15.665 6.400 ( -4.181 -5.051 -0.665) 6.590 6.540 ( 5.743 3.854 -0.518) 6.936 7.167 ( 1.744 5.665 0.387) 5.940 9.713 ( -3.164 -20.177 -0.246) 20.425 11.034 ( 19.832 28.458 -0.213) 34.688 14.412 ( -7.405 -8.509 -0.342) 11.285 27.535 ( 1.644 0.591 -0.613) 1.851 30.226 ( -2.208 -0.823 1.259) 2.671 ======================= Grid point 300 (120/288) ======================= q-point: (-0.07 0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.267 ( -16.707 -0.118 -8.155) 18.591 1.990 ( 15.825 -18.536 3.330) 24.599 2.585 ( -15.122 -10.749 0.224) 18.555 3.626 ( 11.191 24.584 0.787) 27.023 3.989 ( -2.918 7.407 0.812) 8.002 5.474 ( -15.062 -12.863 -0.432) 19.812 6.263 ( -3.766 -5.643 0.124) 6.786 6.488 ( 12.733 15.254 0.727) 19.883 6.670 ( 4.071 3.456 -0.348) 5.352 7.221 ( -2.206 5.453 0.353) 5.893 9.502 ( 5.010 -24.890 -0.827) 25.403 11.688 ( 21.855 30.729 -0.558) 37.713 14.132 ( -12.067 -13.335 -1.498) 18.046 27.564 ( 1.763 0.331 -1.714) 2.481 30.210 ( -0.109 -0.776 4.658) 4.723 ======================= Grid point 308 (121/288) ======================= q-point: ( 0.50 0.50 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.265 ( 0.000 19.022 -11.433) 22.194 2.143 ( -0.000 -19.745 2.146) 19.861 2.355 ( 0.000 6.562 0.118) 6.563 4.014 ( 0.000 7.134 1.376) 7.266 4.298 ( 0.000 5.674 0.052) 5.674 4.308 ( -0.000 0.354 0.600) 0.697 6.548 ( 0.000 0.512 -0.364) 0.628 6.933 ( 0.000 2.093 -2.428) 3.205 6.935 ( -0.000 -1.251 -0.005) 1.251 7.064 ( -0.000 4.400 2.588) 5.105 9.103 ( -0.000 -14.455 -0.304) 14.458 12.647 ( -0.000 -3.810 0.058) 3.811 13.365 ( 0.000 7.593 -1.975) 7.846 27.468 ( -0.000 -1.002 0.047) 1.003 30.650 ( -0.000 -4.269 2.993) 5.214 ======================= Grid point 309 (122/288) ======================= q-point: ( 0.57 0.50 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.433 ( 2.287 20.413 -9.391) 22.586 1.996 ( 3.754 -18.446 2.016) 18.932 2.505 ( 11.473 3.327 -0.435) 11.953 3.846 ( -27.517 0.937 1.739) 27.588 4.054 ( -3.577 3.045 0.897) 4.783 4.785 ( 25.899 2.335 1.002) 26.023 6.565 ( 1.911 0.281 -1.326) 2.342 6.773 ( -15.241 -1.220 0.245) 15.291 6.919 ( -2.525 0.899 -2.322) 3.546 7.108 ( -1.318 2.093 2.486) 3.507 9.107 ( 12.535 -7.642 -0.279) 14.684 12.259 ( -33.104 -1.127 -0.112) 33.124 13.692 ( 23.177 3.621 -0.268) 23.460 27.462 ( -0.010 -0.329 0.475) 0.578 30.601 ( -1.846 -3.457 -0.039) 3.919 ======================= Grid point 310 (123/288) ======================= q-point: (-0.36 -0.50 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.626 ( 2.634 10.223 -2.895) 10.946 1.957 ( 8.792 -6.365 -2.093) 11.054 2.778 ( 17.984 -0.479 -1.340) 18.041 3.384 ( -27.694 -0.031 2.929) 27.848 3.985 ( -6.414 -0.586 0.678) 6.476 5.233 ( 24.013 0.494 1.682) 24.077 6.456 ( -19.178 -0.401 -0.027) 19.182 6.602 ( 2.589 -0.072 -1.735) 3.117 6.848 ( -4.435 -0.466 -3.353) 5.579 7.074 ( -4.838 0.073 3.167) 5.783 9.341 ( 18.196 0.260 -0.042) 18.198 11.638 ( -37.595 0.367 0.126) 37.597 14.092 ( 19.767 0.867 0.612) 19.796 27.465 ( 0.099 0.290 0.874) 0.927 30.522 ( -3.218 -2.577 -2.598) 4.873 ======================= Grid point 311 (124/288) ======================= q-point: (-0.29 -0.50 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.644 ( 3.317 -12.408 2.476) 13.080 2.190 ( 11.189 16.470 -6.063) 20.814 2.907 ( -20.157 -1.228 1.634) 20.261 3.086 ( 12.672 -5.528 0.442) 13.832 3.848 ( -7.959 -0.449 0.575) 7.992 5.617 ( 20.935 -3.315 2.441) 21.336 6.163 ( -14.956 2.995 -0.644) 15.267 6.604 ( -3.461 0.705 -0.530) 3.571 6.740 ( -2.952 -4.298 -5.892) 7.868 7.010 ( -3.492 1.463 3.789) 5.357 9.701 ( 18.522 6.843 0.405) 19.750 11.028 ( -34.132 2.817 0.299) 34.250 14.367 ( 12.521 -2.332 1.029) 12.777 27.479 ( 0.284 0.773 1.182) 1.441 30.424 ( -3.823 -1.713 -4.191) 5.926 ======================= Grid point 312 (125/288) ======================= q-point: (-0.21 -0.50 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.581 ( 6.051 -17.745 3.492) 19.071 2.329 ( -16.780 5.573 -5.518) 18.523 2.751 ( 5.746 16.259 3.442) 17.584 3.171 ( 5.748 -16.756 -1.634) 17.790 3.787 ( -0.581 6.029 0.424) 6.072 5.869 ( 13.721 -11.313 3.310) 18.089 6.037 ( -5.502 8.846 -0.903) 10.456 6.514 ( -8.128 6.439 -1.589) 10.490 6.599 ( -3.431 -8.948 -3.612) 10.241 7.050 ( 2.822 4.094 1.797) 5.287 9.977 ( 1.420 -1.657 0.668) 2.282 10.671 ( -10.582 17.781 0.264) 20.693 14.475 ( 4.537 -6.402 1.081) 7.921 27.500 ( 0.471 1.067 1.243) 1.705 30.328 ( -3.493 -1.003 -4.381) 5.692 ======================= Grid point 313 (126/288) ======================= q-point: (-0.14 -0.50 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.546 ( 9.003 -18.999 4.910) 21.590 1.963 ( -22.738 1.774 -3.989) 23.154 2.962 ( -5.049 -18.667 -0.159) 19.339 3.177 ( 13.778 23.019 0.018) 26.828 3.913 ( 5.296 6.799 -0.048) 8.619 5.833 ( -1.867 -17.927 2.337) 18.175 6.149 ( 4.647 15.049 -0.528) 15.759 6.414 ( -4.824 -6.721 -2.795) 8.732 6.536 ( 0.768 7.464 -0.056) 7.503 7.166 ( 4.396 4.448 0.492) 6.273 9.709 ( -15.508 -13.107 0.340) 20.308 11.030 ( 14.972 31.197 0.271) 34.604 14.405 ( -2.989 -11.180 0.758) 11.598 27.525 ( 0.572 1.126 0.869) 1.533 30.254 ( -2.265 -0.612 -2.933) 3.756 ======================= Grid point 314 (127/288) ======================= q-point: (-0.07 0.50 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.499 ( -6.038 -10.459 0.000) 12.077 1.659 ( -2.551 -4.419 -0.000) 5.103 2.663 ( -8.746 -15.148 -0.000) 17.491 3.654 ( 13.837 23.966 -0.000) 27.673 4.051 ( 3.140 5.438 0.000) 6.280 5.541 ( -10.416 -18.042 -0.000) 20.833 6.268 ( -3.605 -6.243 -0.000) 7.209 6.455 ( 10.634 18.419 -0.000) 21.269 6.649 ( 3.248 5.626 -0.000) 6.497 7.268 ( 2.184 3.783 -0.000) 4.368 9.330 ( -9.990 -17.303 -0.000) 19.980 11.651 ( 18.942 32.809 -0.000) 37.884 14.166 ( -9.148 -15.845 -0.000) 18.297 27.546 ( 0.531 0.919 -0.000) 1.061 30.218 ( -0.383 -0.664 -0.000) 0.766 ======================= Grid point 324 (128/288) ======================= q-point: (-0.43 -0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.572 ( 0.000 18.026 -7.628) 19.573 1.809 ( -0.000 -13.272 1.486) 13.355 2.414 ( 0.000 -0.322 -0.887) 0.944 4.085 ( -0.000 -0.783 0.895) 1.189 4.337 ( -0.000 0.502 4.095) 4.125 4.357 ( -0.000 -0.013 0.122) 0.123 6.539 ( 0.000 -0.264 -2.373) 2.387 6.927 ( -0.000 0.115 0.524) 0.536 6.937 ( 0.000 0.632 -2.904) 2.972 7.127 ( -0.000 -0.666 3.014) 3.086 8.951 ( 0.000 -0.003 -0.473) 0.473 12.607 ( 0.000 -0.065 -0.077) 0.101 13.451 ( -0.000 1.517 1.096) 1.871 27.465 ( -0.000 0.263 1.018) 1.051 30.580 ( 0.000 -2.732 -3.114) 4.143 ======================= Grid point 325 (129/288) ======================= q-point: (-0.36 -0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.593 ( 0.359 -12.286 2.531) 12.549 1.874 ( 5.494 19.080 -6.969) 21.043 2.490 ( 11.301 -3.968 -1.477) 12.069 3.867 ( -27.206 -1.108 3.135) 27.408 4.049 ( -3.857 -4.148 0.484) 5.684 4.808 ( 25.932 -1.584 2.816) 26.132 6.540 ( 2.113 -0.773 -3.167) 3.885 6.773 ( -15.757 0.916 0.202) 15.784 6.903 ( -3.106 -0.128 -2.997) 4.318 7.124 ( -0.947 -2.952 3.208) 4.461 9.108 ( 12.863 8.199 -0.204) 15.255 12.266 ( -32.755 1.719 0.330) 32.802 13.722 ( 22.612 -1.220 1.933) 22.727 27.476 ( -0.027 0.894 1.595) 1.828 30.523 ( -1.627 -1.932 -5.829) 6.353 ======================= Grid point 326 (130/288) ======================= q-point: (-0.29 -0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.471 ( 1.162 -16.160 2.967) 16.471 2.193 ( 9.246 23.838 -5.917) 26.244 2.669 ( 16.317 -8.638 -2.182) 18.591 3.400 ( -26.949 -1.477 3.887) 27.267 3.925 ( -4.516 -5.948 0.285) 7.474 5.213 ( 22.990 -4.636 3.446) 23.704 6.487 ( -18.160 3.647 -0.627) 18.533 6.558 ( 2.757 -2.261 -3.499) 4.995 6.807 ( -6.045 -0.335 -3.559) 7.022 7.069 ( -2.444 -3.542 3.449) 5.515 9.502 ( 17.874 15.522 0.753) 23.685 11.678 ( -37.187 3.305 0.738) 37.341 14.072 ( 18.843 -3.983 2.324) 19.399 27.495 ( -0.073 1.442 2.143) 2.584 30.440 ( -2.685 -1.162 -7.707) 8.244 ======================= Grid point 327 (131/288) ======================= q-point: (-0.21 -0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.352 ( 2.636 -16.677 3.370) 17.217 2.555 ( 3.932 22.028 -6.101) 23.193 2.789 ( 9.540 -12.785 -0.932) 15.979 3.005 ( -14.669 -1.224 3.816) 15.206 3.820 ( -0.978 -3.385 0.092) 3.525 5.511 ( 17.522 -9.709 3.837) 20.396 6.275 ( -11.983 8.866 -1.368) 14.969 6.530 ( -0.214 -6.524 -3.770) 7.538 6.683 ( -6.897 2.387 -2.328) 7.660 7.041 ( 1.307 -1.153 2.259) 2.853 9.948 ( 10.885 16.014 1.742) 19.441 11.148 ( -28.132 9.400 0.619) 29.667 14.281 ( 10.761 -7.729 2.427) 13.469 27.519 ( -0.160 1.801 2.488) 3.075 30.348 ( -2.897 -0.576 -8.293) 8.804 ======================= Grid point 328 (132/288) ======================= q-point: (-0.14 -0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.274 ( 5.296 -16.194 5.238) 17.824 2.383 ( -24.270 3.689 -2.218) 24.649 2.778 ( 3.153 -19.793 -0.584) 20.051 3.156 ( 13.614 20.533 -0.235) 24.637 3.853 ( 6.112 0.431 -0.465) 6.145 5.618 ( 7.396 -16.153 3.097) 18.034 6.269 ( -1.605 14.706 -1.274) 14.848 6.400 ( -3.529 -7.451 -3.135) 8.820 6.629 ( -3.040 5.310 -0.332) 6.128 7.109 ( 5.481 0.815 0.522) 5.566 9.957 ( -19.683 -1.271 1.628) 19.791 11.148 ( 5.853 29.231 0.608) 29.818 14.302 ( 2.097 -12.377 2.152) 12.737 27.545 ( -0.327 1.893 2.395) 3.070 30.265 ( -2.160 -0.323 -7.268) 7.590 ======================= Grid point 339 (133/288) ======================= q-point: (-0.36 -0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.457 ( -0.000 -15.626 3.163) 15.943 2.021 ( 0.000 24.549 -6.833) 25.482 2.329 ( -0.000 -6.996 -1.694) 7.198 4.001 ( -0.000 -8.391 0.395) 8.400 4.299 ( -0.000 -5.783 0.098) 5.784 4.397 ( -0.000 0.574 7.081) 7.104 6.497 ( 0.000 -1.018 -4.180) 4.303 6.908 ( 0.000 -0.925 -3.287) 3.415 6.945 ( -0.000 1.094 0.706) 1.302 7.091 ( -0.000 -5.660 3.487) 6.648 9.107 ( 0.000 15.944 -0.033) 15.944 12.644 ( 0.000 3.800 -0.148) 3.802 13.448 ( -0.000 -3.836 4.092) 5.609 27.497 ( -0.000 1.601 2.377) 2.866 30.489 ( 0.000 -1.207 -8.772) 8.855 ======================= Grid point 340 (134/288) ======================= q-point: (-0.29 -0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.318 ( 0.117 -15.277 2.313) 15.452 2.286 ( 5.301 24.566 -5.068) 25.637 2.331 ( 10.313 -9.956 -2.222) 14.505 3.844 ( -20.313 -4.994 2.805) 21.105 3.901 ( -8.010 -10.417 0.735) 13.161 4.782 ( 23.944 -4.017 4.886) 24.766 6.480 ( 1.525 -1.846 -4.806) 5.369 6.802 ( -13.113 1.620 -0.590) 13.226 6.866 ( -3.982 -0.849 -2.449) 4.751 7.053 ( -0.131 -6.836 3.322) 7.602 9.422 ( 13.021 22.636 1.338) 26.148 12.330 ( -32.835 4.026 0.963) 33.095 13.685 ( 21.976 -5.014 4.351) 22.957 27.527 ( -0.179 2.255 3.137) 3.868 30.426 ( -1.339 -0.510 -10.969) 11.062 ======================= Grid point 341 (135/288) ======================= q-point: (-0.21 -0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.183 ( 0.693 -14.803 1.970) 14.950 2.415 ( 13.661 -14.835 -2.042) 20.270 2.639 ( 9.110 24.856 -4.086) 26.787 3.388 ( -25.834 -3.002 3.637) 26.261 3.748 ( 0.350 -12.363 0.065) 12.368 5.123 ( 19.665 -7.677 4.814) 21.652 6.451 ( 0.371 -4.280 -4.877) 6.500 6.583 ( -14.455 6.316 -1.205) 15.821 6.777 ( -4.170 -0.321 -2.078) 4.670 6.996 ( 0.738 -6.231 2.467) 6.742 9.938 ( 15.373 25.882 3.271) 30.281 11.779 ( -35.094 6.132 1.264) 35.648 13.984 ( 16.609 -7.696 4.331) 18.811 27.561 ( -0.502 2.691 3.693) 4.597 30.343 ( -2.058 -0.024 -11.940) 12.116 ======================= Grid point 342 (136/288) ======================= q-point: (-0.14 -0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( 2.741 -13.799 3.295) 14.449 2.440 ( 9.029 -19.106 -1.368) 21.176 2.873 ( -21.825 8.953 -0.558) 23.597 3.121 ( 9.355 13.121 0.359) 16.118 3.699 ( 6.962 -8.945 -0.456) 11.345 5.319 ( 12.113 -12.615 3.827) 17.903 6.360 ( -2.294 -6.030 -3.548) 7.363 6.477 ( -6.789 11.808 -1.582) 13.712 6.715 ( -2.932 1.460 -0.528) 3.318 7.004 ( 5.254 -3.760 0.578) 6.487 10.292 ( -8.178 14.307 4.443) 17.068 11.440 ( -11.849 20.459 0.528) 23.648 14.112 ( 7.416 -11.987 4.020) 14.658 27.592 ( -0.951 2.797 3.788) 4.804 30.258 ( -1.892 0.082 -11.260) 11.418 ======================= Grid point 354 (137/288) ======================= q-point: (-0.29 -0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.179 ( -0.000 -14.311 0.946) 14.342 2.118 ( -0.000 -12.540 -2.118) 12.717 2.462 ( 0.000 24.039 -4.073) 24.382 3.753 ( -0.000 -17.229 0.269) 17.231 4.147 ( -0.000 -8.893 -0.201) 8.895 4.480 ( -0.000 0.656 9.138) 9.161 6.428 ( 0.000 -1.632 -5.567) 5.801 6.839 ( 0.000 -3.475 -2.944) 4.554 6.976 ( -0.000 -7.709 3.119) 8.316 6.976 ( 0.000 0.830 0.422) 0.931 9.561 ( 0.000 28.090 2.839) 28.234 12.744 ( 0.000 6.055 -0.066) 6.055 13.383 ( -0.000 -7.499 7.642) 10.707 27.571 ( -0.000 3.032 4.047) 5.057 30.382 ( 0.000 0.168 -13.546) 13.547 ======================= Grid point 355 (138/288) ======================= q-point: (-0.21 -0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.043 ( 0.084 -13.600 -0.110) 13.601 2.056 ( 9.078 -15.372 -2.163) 17.983 2.724 ( 5.806 21.675 -2.838) 22.618 3.570 ( 1.228 -20.567 0.299) 20.606 3.797 ( -23.162 -4.362 2.118) 23.664 4.752 ( 18.772 -3.783 6.781) 20.315 6.389 ( 0.179 -2.614 -5.726) 6.297 6.772 ( -2.012 -3.260 -1.968) 4.307 6.864 ( -7.326 -0.389 0.316) 7.343 6.936 ( -2.402 -5.313 1.527) 6.027 9.990 ( 12.308 30.952 5.418) 33.747 12.430 ( -32.536 4.703 1.814) 32.924 13.611 ( 20.708 -7.131 6.909) 22.965 27.619 ( -0.468 3.553 4.690) 5.903 30.315 ( -1.058 0.654 -14.954) 15.006 ======================= Grid point 356 (139/288) ======================= q-point: (-0.14 -0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.924 ( 1.462 -12.529 0.333) 12.619 2.064 ( 11.302 -18.893 -1.542) 22.070 3.054 ( 11.261 15.993 -1.567) 19.622 3.368 ( -22.888 0.022 2.075) 22.982 3.440 ( 4.970 -17.093 0.004) 17.801 5.008 ( 14.063 -7.889 4.966) 16.872 6.321 ( -1.425 -4.408 -4.358) 6.360 6.699 ( -6.073 4.702 -1.300) 7.790 6.759 ( -3.972 1.055 -0.712) 4.171 6.873 ( 3.027 -7.350 0.777) 7.987 10.523 ( 7.358 26.841 7.979) 28.953 11.948 ( -27.833 10.360 1.060) 29.717 13.851 ( 12.827 -10.232 6.288) 17.571 27.662 ( -1.170 3.663 4.834) 6.177 30.235 ( -1.465 0.665 -14.609) 14.697 ======================= Grid point 369 (140/288) ======================= q-point: (-0.21 -0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.907 ( -0.000 -12.911 -1.824) 13.039 1.807 ( -0.000 -16.884 -2.413) 17.055 2.849 ( 0.000 15.742 -1.797) 15.844 3.320 ( -0.000 -27.122 0.612) 27.129 3.993 ( -0.000 -4.278 -0.998) 4.392 4.576 ( -0.000 0.711 9.827) 9.852 6.341 ( 0.000 -1.939 -6.207) 6.503 6.719 ( -0.000 -6.748 -1.083) 6.834 6.831 ( -0.000 -8.324 1.727) 8.501 7.011 ( 0.000 2.142 -0.519) 2.204 10.222 ( 0.000 32.850 8.424) 33.913 12.865 ( 0.000 5.849 -0.003) 5.849 13.299 ( -0.000 -9.018 11.226) 14.399 27.683 ( -0.000 4.142 5.289) 6.718 30.264 ( 0.000 1.274 -16.931) 16.979 ======================= Grid point 370 (141/288) ======================= q-point: (-0.14 -0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.779 ( 0.845 -12.054 -2.191) 12.280 1.696 ( 8.174 -19.064 -2.144) 20.853 3.004 ( 5.808 3.999 -1.284) 7.168 3.082 ( 5.690 -27.453 1.114) 28.058 3.801 ( -17.580 6.390 0.321) 18.708 4.753 ( 11.839 -2.265 7.028) 13.953 6.286 ( -1.006 -2.701 -5.306) 6.038 6.670 ( 2.653 -5.679 -0.666) 6.303 6.754 ( 0.146 -8.169 1.073) 8.241 6.953 ( -7.969 3.788 -0.900) 8.869 10.689 ( 9.937 31.303 11.646) 34.847 12.539 ( -30.149 4.528 2.249) 30.570 13.529 ( 18.053 -7.974 8.714) 21.574 27.742 ( -0.863 4.259 5.310) 6.861 30.196 ( -0.844 1.380 -17.120) 17.196 ======================= Grid point 384 (142/288) ======================= q-point: (-0.14 -0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.641 ( -0.000 -11.638 -3.342) 12.109 1.416 ( -0.000 -20.288 -2.817) 20.483 2.694 ( -0.000 -36.334 0.666) 36.340 2.974 ( -0.000 -3.145 0.110) 3.147 4.045 ( 0.000 11.449 -2.028) 11.627 4.671 ( -0.000 0.595 8.729) 8.750 6.251 ( 0.000 -1.797 -5.697) 5.974 6.571 ( -0.000 -7.542 0.436) 7.554 6.676 ( -0.000 -8.435 0.517) 8.451 7.055 ( 0.000 2.957 -0.759) 3.052 10.959 ( -0.000 30.615 15.285) 34.219 12.962 ( 0.000 3.780 -0.099) 3.781 13.229 ( -0.000 -8.581 13.035) 15.606 27.815 ( -0.000 4.377 5.060) 6.690 30.143 ( 0.000 1.811 -18.157) 18.247 ======================= Grid point 431 (143/288) ======================= q-point: ( 0.14 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.255 ( -0.000 0.000 9.375) 9.375 0.255 ( -0.000 0.000 9.375) 9.375 0.276 ( -0.000 0.000 9.825) 9.825 2.534 ( 0.000 -0.000 -0.439) 0.439 4.661 ( 0.000 -0.000 -6.730) 6.730 4.661 ( 0.000 -0.000 -6.730) 6.730 6.214 ( -0.000 0.000 4.531) 4.531 6.214 ( -0.000 0.000 4.531) 4.531 6.354 ( -0.000 0.000 0.123) 0.123 7.195 ( -0.000 0.000 0.125) 0.125 7.195 ( -0.000 0.000 0.125) 0.125 13.024 ( 0.000 -0.000 0.005) 0.005 13.024 ( -0.000 0.000 0.005) 0.005 28.009 ( 0.000 -0.000 -0.066) 0.066 31.707 ( 0.000 -0.000 -0.088) 0.088 ======================= Grid point 432 (144/288) ======================= q-point: ( 0.21 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.346 ( 2.974 1.717 6.941) 7.744 0.489 ( 17.138 9.895 3.436) 20.086 1.068 ( 40.615 23.449 3.331) 47.017 2.612 ( 6.678 3.855 -0.480) 7.726 4.474 ( -11.145 -6.435 -7.363) 14.827 4.686 ( 2.519 1.454 -6.446) 7.072 6.205 ( -1.102 -0.636 4.449) 4.628 6.358 ( 4.967 2.868 1.089) 5.838 6.423 ( 5.127 2.960 2.289) 6.348 7.169 ( -2.048 -1.183 0.164) 2.371 8.840 ( 94.995 54.845 -71.707) 131.050 12.967 ( -4.366 -2.521 -0.441) 5.060 13.018 ( -0.378 -0.218 -0.138) 0.458 27.946 ( -4.662 -2.691 -0.307) 5.392 31.283 ( -26.776 -15.459 22.556) 38.272 ======================= Grid point 433 (145/288) ======================= q-point: ( 0.29 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.444 ( 3.542 2.045 2.333) 4.709 0.919 ( 19.008 10.974 1.313) 21.988 1.977 ( 37.508 21.655 2.097) 43.361 2.802 ( 9.083 5.244 -0.634) 10.507 4.141 ( -14.086 -8.132 -6.213) 17.411 4.719 ( 2.731 1.577 -6.527) 7.249 6.202 ( -0.911 -0.526 4.576) 4.695 6.480 ( 5.437 3.139 0.970) 6.352 6.571 ( 6.760 3.903 2.085) 8.079 7.111 ( -2.900 -1.674 0.422) 3.375 10.065 ( 40.127 23.167 -59.433) 75.360 12.874 ( -1.553 -0.897 -4.615) 4.951 13.000 ( -1.293 -0.746 -0.229) 1.510 27.825 ( -5.207 -3.006 -1.716) 6.253 30.904 ( -16.323 -9.424 26.129) 32.217 ======================= Grid point 434 (146/288) ======================= q-point: ( 0.36 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.516 ( 2.867 1.655 -3.432) 4.768 1.350 ( 18.157 10.483 1.012) 20.990 2.760 ( 27.905 16.111 1.665) 32.265 2.942 ( 3.178 1.835 -1.411) 3.932 3.871 ( -5.153 -2.975 -3.330) 6.819 4.752 ( 2.748 1.587 -6.953) 7.643 6.203 ( -0.778 -0.449 4.902) 4.984 6.603 ( 4.710 2.719 0.813) 5.499 6.744 ( 7.774 4.488 1.149) 9.050 7.049 ( -2.606 -1.505 0.575) 3.063 10.312 ( 1.368 0.790 -29.390) 29.433 12.904 ( 7.287 4.207 -10.674) 13.592 12.951 ( -3.033 -1.751 -0.203) 3.508 27.706 ( -4.239 -2.447 -2.830) 5.654 30.715 ( -10.265 -5.927 21.803) 24.817 ======================= Grid point 435 (147/288) ======================= q-point: ( 0.43 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.549 ( 2.988 1.725 -10.283) 10.846 1.744 ( 15.736 9.085 1.239) 18.213 2.720 ( -14.392 -8.309 -0.554) 16.628 3.419 ( 23.201 13.395 1.097) 26.813 3.920 ( 8.203 4.736 -0.644) 9.494 4.782 ( 2.559 1.477 -7.621) 8.173 6.209 ( -0.706 -0.407 5.395) 5.456 6.693 ( 2.900 1.675 0.487) 3.384 6.933 ( 8.434 4.869 0.336) 9.745 7.003 ( -1.592 -0.919 0.358) 1.873 10.004 ( -18.125 -10.465 -10.866) 23.582 12.860 ( -4.744 -2.739 -0.077) 5.478 13.084 ( 11.602 6.699 -10.928) 17.289 27.612 ( -2.811 -1.623 -2.981) 4.407 30.596 ( -7.847 -4.530 16.916) 19.190 ======================= Grid point 436 (148/288) ======================= q-point: ( 0.50 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.602 ( 7.489 4.324 -13.973) 16.432 2.064 ( 11.559 6.674 1.434) 13.424 2.348 ( -17.279 -9.976 2.471) 20.104 3.854 ( 14.597 8.428 0.745) 16.872 4.136 ( 9.430 5.444 0.008) 10.889 4.801 ( 2.167 1.251 -8.371) 8.737 6.218 ( -0.674 -0.389 5.965) 6.015 6.742 ( 1.398 0.807 0.585) 1.717 6.980 ( -0.472 -0.272 -0.176) 0.572 7.118 ( 7.418 4.283 -0.486) 8.580 9.497 ( -21.885 -12.635 -2.756) 25.421 12.744 ( -5.172 -2.986 0.065) 5.973 13.299 ( 10.136 5.852 -7.301) 13.795 27.554 ( -1.242 -0.717 -2.447) 2.836 30.493 ( -6.899 -3.983 12.249) 14.611 ======================= Grid point 437 (149/288) ======================= q-point: ( 0.57 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.816 ( 15.938 9.202 -8.527) 20.283 1.984 ( -15.934 -9.199 5.218) 19.124 2.270 ( 5.857 3.381 1.365) 6.899 4.092 ( 6.297 3.635 0.090) 7.271 4.311 ( 5.465 3.155 -0.114) 6.312 4.807 ( 1.621 0.936 -9.045) 9.237 6.229 ( -0.678 -0.391 6.472) 6.519 6.768 ( 0.643 0.371 1.124) 1.347 6.976 ( 0.192 0.111 -0.697) 0.732 7.250 ( 4.179 2.412 -1.222) 4.977 9.063 ( -14.323 -8.270 0.281) 16.541 12.641 ( -3.497 -2.019 0.148) 4.041 13.466 ( 6.480 3.741 -3.863) 8.421 27.534 ( 0.294 0.170 -1.704) 1.738 30.386 ( -6.329 -3.654 8.120) 10.925 ======================= Grid point 438 (150/288) ======================= q-point: (-0.36 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.234 ( 21.462 12.391 -0.140) 24.783 1.669 ( -13.700 -7.910 5.493) 16.746 2.337 ( -0.465 -0.269 1.175) 1.292 4.149 ( -0.982 -0.567 -0.753) 1.361 4.372 ( -0.116 -0.067 -0.308) 0.336 4.797 ( 1.023 0.591 -9.522) 9.595 6.242 ( -0.725 -0.418 6.799) 6.850 6.785 ( 0.294 0.170 1.764) 1.797 6.978 ( 0.206 0.119 -0.894) 0.925 7.287 ( -0.398 -0.230 -1.876) 1.932 8.897 ( 0.222 0.128 1.063) 1.094 12.599 ( -0.101 -0.059 0.139) 0.182 13.558 ( 2.685 1.550 -1.810) 3.590 27.551 ( 1.691 0.976 -1.186) 2.284 30.278 ( -5.598 -3.232 5.084) 8.224 ======================= Grid point 439 (151/288) ======================= q-point: (-0.29 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( -12.817 -7.400 7.351) 16.525 1.788 ( 24.141 13.938 1.765) 27.932 2.263 ( -6.351 -3.667 1.189) 7.429 4.045 ( -7.779 -4.491 -1.402) 9.091 4.306 ( -5.403 -3.120 -0.219) 6.243 4.773 ( 0.513 0.296 -9.729) 9.747 6.254 ( -0.865 -0.500 6.869) 6.941 6.793 ( -0.434 -0.251 2.101) 2.160 6.977 ( 0.084 0.048 -0.674) 0.681 7.217 ( -4.867 -2.810 -2.405) 6.113 9.091 ( 16.153 9.326 0.817) 18.670 12.639 ( 3.408 1.968 0.076) 3.936 13.575 ( -0.515 -0.298 -1.195) 1.335 27.599 ( 2.864 1.654 -1.221) 3.525 30.180 ( -4.517 -2.608 3.806) 6.458 ======================= Grid point 440 (152/288) ======================= q-point: (-0.21 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.113 ( -12.124 -7.000 5.307) 14.971 2.067 ( -11.181 -6.455 1.566) 13.005 2.350 ( 23.155 13.369 3.714) 26.994 3.779 ( -15.205 -8.778 -1.518) 17.622 4.141 ( -8.383 -4.840 0.196) 9.681 4.739 ( 0.220 0.127 -9.647) 9.650 6.260 ( -1.123 -0.648 6.647) 6.772 6.775 ( -2.103 -1.214 1.921) 3.097 6.981 ( 0.525 0.303 -0.145) 0.623 7.056 ( -7.901 -4.562 -2.649) 9.501 9.608 ( 28.041 16.190 -0.332) 32.381 12.743 ( 5.324 3.074 0.031) 6.148 13.526 ( -3.078 -1.777 -2.262) 4.213 27.667 ( 3.691 2.131 -2.016) 4.715 30.111 ( -3.118 -1.800 4.946) 6.118 ======================= Grid point 441 (153/288) ======================= q-point: (-0.14 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.868 ( -11.136 -6.430 3.946) 13.451 1.776 ( -14.869 -8.584 2.170) 17.305 2.819 ( 14.973 8.645 2.615) 17.486 3.333 ( -23.428 -13.526 -1.403) 27.088 3.978 ( -4.386 -2.532 1.275) 5.222 4.702 ( 0.221 0.127 -9.298) 9.301 6.259 ( -1.397 -0.806 6.208) 6.414 6.705 ( -4.780 -2.760 0.994) 5.608 6.856 ( -8.216 -4.743 -2.090) 9.714 7.005 ( 1.563 0.902 0.433) 1.855 10.303 ( 32.252 18.620 -3.800) 37.434 12.865 ( 5.054 2.918 0.047) 5.836 13.414 ( -5.275 -3.046 -5.967) 8.527 27.744 ( 4.013 2.317 -3.530) 5.825 30.088 ( -1.374 -0.793 9.264) 9.399 ======================= Grid point 446 (154/288) ======================= q-point: ( 0.21 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.384 ( -0.000 3.943 6.524) 7.623 0.649 ( 0.000 20.619 5.203) 21.265 1.002 ( 0.000 46.077 2.364) 46.138 2.609 ( 0.000 7.621 -0.526) 7.639 4.545 ( 0.000 -8.118 -6.452) 10.370 4.547 ( 0.000 -2.381 -8.152) 8.493 6.291 ( -0.000 1.950 5.147) 5.504 6.345 ( -0.000 6.130 2.086) 6.475 6.388 ( -0.000 3.108 0.969) 3.256 7.181 ( -0.000 -1.736 0.391) 1.779 8.561 ( 0.000 99.525 -56.059) 114.228 12.953 ( -0.000 -6.126 -0.440) 6.142 13.028 ( -0.000 -0.076 0.026) 0.080 27.945 ( -0.000 -5.646 -0.122) 5.648 31.369 ( -0.000 -26.299 17.096) 31.367 ======================= Grid point 447 (155/288) ======================= q-point: ( 0.29 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.458 ( 0.719 4.756 3.122) 5.735 0.900 ( 5.087 22.730 2.823) 23.463 1.710 ( 25.228 36.193 1.882) 44.158 2.744 ( 5.476 9.310 -0.606) 10.818 4.247 ( -12.819 -10.555 -6.457) 17.816 4.609 ( 6.866 -2.015 -7.379) 10.279 6.272 ( -3.684 2.362 4.756) 6.463 6.464 ( 2.502 6.638 0.950) 7.157 6.497 ( 6.941 2.991 2.311) 7.904 7.132 ( -2.788 -2.971 0.632) 4.123 9.525 ( 33.760 58.007 -57.268) 88.228 12.810 ( -5.512 -10.987 -0.138) 12.293 13.063 ( 2.017 4.054 -1.841) 4.888 27.852 ( -3.272 -5.862 -0.651) 6.745 31.114 ( -10.305 -17.542 21.610) 29.680 ======================= Grid point 448 (156/288) ======================= q-point: ( 0.36 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.516 ( 0.008 4.776 -1.860) 5.125 1.267 ( 10.634 20.740 1.754) 23.373 2.485 ( 27.050 26.751 1.543) 38.075 2.926 ( 4.337 7.403 -1.092) 8.649 3.898 ( -9.985 -12.088 -4.401) 16.284 4.680 ( 5.351 1.840 -7.513) 9.405 6.263 ( -2.554 2.123 5.039) 6.035 6.579 ( 3.009 5.533 0.942) 6.369 6.660 ( 7.439 3.787 1.319) 8.451 7.048 ( -2.382 -5.291 0.995) 5.887 10.149 ( 14.769 24.184 -37.962) 47.372 12.600 ( -0.368 -18.123 -1.296) 18.173 13.151 ( 0.335 12.484 -4.543) 13.289 27.732 ( -3.776 -4.621 -1.531) 6.161 30.901 ( -9.375 -10.357 20.531) 24.833 ======================= Grid point 449 (157/288) ======================= q-point: ( 0.43 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.534 ( -1.099 5.431 -7.982) 9.717 1.661 ( 11.203 18.861 1.630) 21.998 2.895 ( -10.623 0.234 -0.986) 10.672 3.168 ( 23.178 17.639 0.681) 29.134 3.738 ( 6.850 -9.440 -1.538) 11.764 4.764 ( 3.155 7.244 -7.673) 11.014 6.267 ( -2.132 2.172 5.490) 6.277 6.671 ( 2.227 3.171 0.688) 3.936 6.838 ( 8.057 4.365 0.370) 9.171 6.963 ( -0.245 -7.776 1.050) 7.850 10.194 ( -11.257 6.155 -17.277) 21.520 12.459 ( 9.859 -25.441 -2.854) 27.434 13.286 ( -1.127 20.980 -6.335) 21.944 27.628 ( -2.922 -3.135 -1.995) 4.728 30.751 ( -7.983 -7.078 16.983) 20.056 ======================= Grid point 450 (158/288) ======================= q-point: ( 0.50 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.545 ( 0.699 9.099 -12.524) 15.496 2.018 ( 8.615 16.795 1.758) 18.957 2.587 ( -18.742 -5.353 0.897) 19.512 3.667 ( 17.754 10.430 0.645) 20.601 3.851 ( 15.709 -11.091 -1.175) 19.266 4.863 ( 0.042 13.690 -7.590) 15.653 6.279 ( -2.054 2.370 6.019) 6.787 6.724 ( 1.452 0.716 0.745) 1.782 6.887 ( 2.303 -10.280 0.653) 10.555 7.028 ( 8.220 3.879 -0.586) 9.109 9.834 ( -25.195 -0.543 -5.597) 25.815 12.383 ( 13.833 -30.055 -2.110) 33.153 13.463 ( -1.992 24.831 -5.787) 25.574 27.556 ( -1.567 -1.767 -1.902) 3.032 30.624 ( -7.354 -5.675 12.945) 15.932 ======================= Grid point 451 (159/288) ======================= q-point: ( 0.57 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.689 ( 8.615 15.125 -8.876) 19.539 2.214 ( -17.313 -5.883 3.724) 18.661 2.290 ( 2.717 13.700 1.680) 14.068 3.976 ( 12.634 -3.466 -0.599) 13.115 3.990 ( 14.203 -9.448 -1.496) 17.124 4.961 ( -4.004 18.966 -7.273) 20.704 6.294 ( -2.170 2.565 6.517) 7.332 6.747 ( 1.334 -1.300 1.194) 2.213 6.836 ( 5.176 -13.131 0.087) 14.114 7.185 ( 6.417 2.593 -1.441) 7.069 9.374 ( -24.677 0.999 -0.881) 24.713 12.314 ( 14.072 -30.594 -0.923) 33.688 13.637 ( -3.961 23.964 -3.768) 24.580 27.523 ( -0.101 -0.620 -1.551) 1.674 30.497 ( -6.995 -4.933 9.213) 12.575 ======================= Grid point 452 (160/288) ======================= q-point: ( 0.64 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.055 ( 16.558 18.452 -1.227) 24.823 1.877 ( -16.322 -6.544 5.113) 18.313 2.427 ( -2.752 10.889 1.576) 11.341 4.047 ( 14.290 -21.083 -3.203) 25.671 4.112 ( 3.757 -1.446 -0.625) 4.074 5.023 ( -8.509 20.946 -7.043) 23.679 6.310 ( -2.386 2.568 6.869) 7.711 6.759 ( 2.045 -3.280 1.605) 4.185 6.808 ( 7.370 -14.212 -0.139) 16.010 7.271 ( 2.545 0.270 -2.103) 3.313 9.074 ( -14.087 8.004 0.637) 16.214 12.266 ( 15.354 -28.831 -0.283) 32.666 13.756 ( -6.906 21.383 -2.097) 22.568 27.526 ( 1.288 0.279 -1.336) 1.877 30.370 ( -6.404 -4.259 6.464) 10.046 ======================= Grid point 453 (161/288) ======================= q-point: (-0.29 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.562 ( -0.969 4.973 8.684) 10.054 1.581 ( 7.021 7.670 -0.274) 10.402 2.421 ( -9.050 7.232 1.492) 11.680 4.030 ( 10.922 -22.932 -3.716) 25.671 4.085 ( -2.293 -5.520 -1.015) 6.063 5.017 ( -12.131 19.750 -7.014) 24.216 6.321 ( -2.570 2.096 6.973) 7.722 6.767 ( 3.668 -6.292 1.382) 7.413 6.808 ( 7.268 -11.391 0.393) 13.518 7.254 ( -2.242 -2.194 -2.589) 4.067 9.088 ( 1.178 17.061 0.737) 17.117 12.276 ( 17.961 -26.640 -0.123) 32.130 13.803 ( -9.819 18.707 -1.500) 21.180 27.559 ( 2.500 0.942 -1.585) 3.107 30.256 ( -5.313 -3.414 5.376) 8.294 ======================= Grid point 454 (162/288) ======================= q-point: (-0.21 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.286 ( -13.405 -6.467 4.238) 15.475 2.144 ( 21.241 18.485 4.600) 28.531 2.281 ( -14.005 3.845 1.574) 14.608 3.906 ( -8.558 -8.555 -1.755) 12.228 3.950 ( 6.533 -22.784 -2.603) 23.845 4.946 ( -13.289 16.621 -7.124) 22.441 6.322 ( -2.575 1.018 6.736) 7.283 6.771 ( 2.451 -5.231 1.651) 6.008 6.829 ( 7.301 -9.894 0.372) 12.302 7.136 ( -6.288 -3.970 -2.788) 7.942 9.445 ( 15.408 24.669 -0.209) 29.086 12.348 ( 20.231 -25.360 -0.347) 32.443 13.779 ( -12.232 16.317 -2.225) 20.513 27.613 ( 3.436 1.368 -2.481) 4.454 30.174 ( -3.690 -2.386 6.527) 7.868 ======================= Grid point 455 (163/288) ======================= q-point: (-0.14 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( -12.139 -6.055 2.991) 13.891 2.029 ( -17.994 0.308 1.943) 18.102 2.681 ( 17.335 16.707 3.528) 24.332 3.579 ( -18.502 -9.476 -1.034) 20.813 3.823 ( 6.073 -21.395 -1.836) 22.316 4.844 ( -11.466 12.673 -7.222) 18.554 6.311 ( -2.334 -0.483 6.157) 6.603 6.749 ( -1.625 -2.725 1.623) 3.563 6.865 ( 6.137 -7.798 0.019) 9.923 6.959 ( -6.518 -4.779 -2.029) 8.333 10.047 ( 23.586 27.892 -3.139) 36.662 12.449 ( 20.721 -25.207 -1.027) 32.647 13.688 ( -14.238 14.127 -4.661) 20.592 27.678 ( 3.978 1.521 -3.938) 5.801 30.146 ( -1.539 -1.257 10.334) 10.523 ======================= Grid point 461 (164/288) ======================= q-point: ( 0.29 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.519 ( 0.000 5.960 1.132) 6.066 1.095 ( 0.000 20.829 2.761) 21.011 1.908 ( 0.000 43.163 1.494) 43.189 2.795 ( 0.000 10.568 -0.677) 10.590 4.273 ( 0.000 -12.843 -5.491) 13.967 4.435 ( 0.000 -1.828 -7.660) 7.875 6.374 ( -0.000 2.095 4.604) 5.058 6.455 ( -0.000 4.508 1.795) 4.852 6.525 ( 0.000 8.321 1.085) 8.392 7.140 ( -0.000 -2.803 0.657) 2.879 9.596 ( 0.000 53.761 -47.833) 71.960 12.814 ( 0.000 -5.318 -2.781) 6.001 13.013 ( -0.000 -1.550 -0.121) 1.555 27.812 ( -0.000 -7.006 -0.534) 7.027 31.106 ( -0.000 -17.281 19.524) 26.073 ======================= Grid point 462 (165/288) ======================= q-point: ( 0.36 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.573 ( -0.692 6.486 -2.662) 7.045 1.358 ( 5.565 21.346 1.900) 22.141 2.444 ( 13.521 35.526 1.374) 38.037 2.928 ( 4.078 8.514 -0.976) 9.491 3.961 ( -13.900 -12.636 -4.573) 19.334 4.522 ( 10.329 0.082 -6.785) 12.359 6.366 ( -3.654 3.147 4.143) 6.358 6.582 ( 6.252 4.366 1.418) 7.757 6.618 ( 0.831 7.317 1.044) 7.438 7.068 ( -4.519 -4.057 0.983) 6.152 9.989 ( 14.682 28.745 -34.795) 47.461 12.584 ( -13.713 -10.188 -1.250) 17.129 13.132 ( 9.815 5.387 -3.522) 11.737 27.724 ( -1.973 -6.139 -0.818) 6.500 30.991 ( -4.738 -12.678 18.117) 22.614 ======================= Grid point 463 (166/288) ======================= q-point: ( 0.43 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.597 ( -1.911 7.591 -7.278) 10.689 1.708 ( 8.998 21.606 1.693) 23.466 3.012 ( 13.767 23.358 1.462) 27.152 3.048 ( 2.670 6.501 -2.012) 7.310 3.593 ( -8.505 -15.181 -2.320) 17.555 4.698 ( 9.620 6.465 -6.266) 13.176 6.363 ( -2.874 3.681 4.356) 6.386 6.694 ( 0.256 4.960 0.931) 5.053 6.746 ( 7.449 4.088 0.442) 8.509 6.932 ( -5.055 -7.163 1.462) 8.888 10.256 ( 6.020 10.221 -20.348) 23.553 12.215 ( -10.386 -18.791 -0.465) 21.476 13.371 ( 8.551 14.161 -5.509) 17.435 27.629 ( -2.268 -4.450 -1.102) 5.114 30.863 ( -6.066 -9.182 15.500) 19.009 ======================= Grid point 464 (167/288) ======================= q-point: ( 0.50 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.613 ( -1.608 11.283 -10.502) 15.498 2.081 ( 8.324 21.344 1.868) 22.985 2.887 ( -18.860 -0.009 -0.571) 18.869 3.456 ( 12.892 -13.114 -1.341) 18.438 3.502 ( 14.142 10.616 0.431) 17.688 4.916 ( 7.094 13.421 -5.724) 16.224 6.375 ( -2.480 4.116 4.706) 6.726 6.730 ( -0.490 1.686 1.244) 2.152 6.777 ( -2.654 -11.392 1.456) 11.787 6.918 ( 7.908 3.466 -0.711) 8.663 10.188 ( -13.829 3.046 -8.799) 16.671 11.909 ( 2.457 -27.428 -1.084) 27.559 13.638 ( 5.383 19.508 -5.005) 20.846 27.555 ( -1.567 -2.747 -1.153) 3.366 30.735 ( -6.552 -7.267 12.157) 15.605 ======================= Grid point 465 (168/288) ======================= q-point: ( 0.57 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.720 ( 3.404 17.431 -8.109) 19.523 2.405 ( 3.527 19.492 2.311) 19.943 2.521 ( -20.279 -2.286 1.784) 20.485 3.520 ( 15.392 -19.130 -2.881) 24.722 3.825 ( 11.643 4.998 0.197) 12.672 5.140 ( 2.830 18.677 -5.374) 19.640 6.397 ( -2.443 4.419 5.118) 7.189 6.631 ( 0.853 -15.544 1.120) 15.608 6.729 ( -0.587 -1.276 1.692) 2.200 7.072 ( 7.694 1.333 -1.672) 7.986 9.839 ( -25.048 3.514 -2.586) 25.426 11.742 ( 12.379 -32.513 -1.130) 34.808 13.880 ( 1.223 20.969 -3.354) 21.271 27.513 ( -0.450 -1.343 -1.043) 1.759 30.600 ( -6.756 -6.161 8.863) 12.734 ======================= Grid point 466 (169/288) ======================= q-point: ( 0.64 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.016 ( 10.937 21.356 -1.752) 24.058 2.146 ( -19.350 -4.191 3.913) 20.181 2.630 ( -2.144 18.136 1.878) 18.358 3.563 ( 14.880 -21.920 -3.905) 26.779 3.996 ( 6.967 -2.040 -0.541) 7.280 5.314 ( -3.245 21.135 -5.409) 22.056 6.420 ( -2.534 4.042 5.451) 7.244 6.517 ( 4.757 -17.477 0.570) 18.121 6.709 ( 0.793 -4.310 2.499) 5.045 7.181 ( 5.766 -1.418 -2.397) 6.403 9.476 ( -21.443 8.883 -0.314) 23.212 11.663 ( 16.667 -33.501 -0.561) 37.423 14.053 ( -3.358 19.857 -1.929) 20.231 27.503 ( 0.748 -0.310 -1.023) 1.305 30.462 ( -6.510 -5.250 6.362) 10.508 ======================= Grid point 467 (170/288) ======================= q-point: (-0.29 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.471 ( 16.220 21.525 2.192) 27.041 1.808 ( -17.113 -4.252 4.766) 18.266 2.702 ( -9.350 14.583 1.838) 17.420 3.561 ( 13.359 -23.666 -4.450) 27.537 4.028 ( 2.158 -6.098 -1.116) 6.565 5.384 ( -9.875 20.335 -5.550) 23.278 6.433 ( -0.879 0.124 4.852) 4.932 6.461 ( 6.301 -13.899 1.268) 15.313 6.703 ( 3.172 -5.784 2.831) 7.179 7.212 ( 2.121 -3.774 -2.842) 5.179 9.336 ( -8.964 17.024 0.203) 19.241 11.646 ( 19.621 -32.296 -0.224) 37.789 14.137 ( -7.561 17.448 -1.316) 19.061 27.521 ( 1.859 0.390 -1.357) 2.334 30.335 ( -5.593 -4.228 5.339) 8.813 ======================= Grid point 468 (171/288) ======================= q-point: (-0.21 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.480 ( -14.826 -5.632 2.046) 15.992 2.025 ( 18.460 21.815 5.688) 29.138 2.616 ( -15.510 9.906 1.724) 18.484 3.516 ( 11.399 -24.308 -4.430) 27.211 3.946 ( -3.474 -7.237 -1.149) 8.110 5.332 ( -14.598 16.877 -5.426) 22.965 6.426 ( -4.476 2.098 6.127) 7.873 6.476 ( 12.226 -15.082 0.178) 19.416 6.726 ( 3.915 -4.660 2.488) 6.575 7.155 ( -2.324 -4.625 -2.909) 5.937 9.517 ( 5.701 24.604 -0.256) 25.257 11.693 ( 22.119 -30.409 -0.360) 37.605 14.129 ( -10.875 14.303 -1.683) 18.046 27.560 ( 2.775 0.809 -2.209) 3.638 30.241 ( -3.954 -3.059 6.303) 8.045 ======================= Grid point 469 (172/288) ======================= q-point: (-0.14 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.189 ( -13.394 -5.615 0.926) 14.552 2.389 ( -19.153 4.731 2.030) 19.833 2.584 ( 17.917 20.934 4.295) 27.887 3.437 ( 9.535 -23.980 -3.815) 26.086 3.753 ( -11.078 -6.236 -0.662) 12.729 5.188 ( -15.966 12.428 -5.150) 20.878 6.383 ( -3.989 -0.965 5.439) 6.814 6.570 ( 12.655 -9.909 0.753) 16.090 6.753 ( 2.164 -2.919 1.744) 4.030 7.028 ( -6.138 -3.501 -2.330) 7.441 9.975 ( 16.712 27.447 -2.240) 32.213 11.793 ( 23.306 -27.534 -0.856) 36.083 14.034 ( -13.320 10.522 -3.276) 17.288 27.610 ( 3.408 0.958 -3.524) 4.996 30.201 ( -1.670 -1.884 9.458) 9.788 ======================= Grid point 476 (173/288) ======================= q-point: ( 0.36 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.632 ( 0.000 7.432 -5.472) 9.230 1.510 ( 0.000 19.345 1.293) 19.388 2.705 ( 0.000 35.643 1.360) 35.669 2.948 ( 0.000 3.855 -1.186) 4.033 4.015 ( 0.000 -7.045 -3.672) 7.945 4.349 ( 0.000 -0.975 -5.619) 5.703 6.449 ( -0.000 1.947 3.290) 3.823 6.578 ( 0.000 6.719 1.041) 6.799 6.693 ( 0.000 7.402 1.105) 7.484 7.086 ( -0.000 -3.159 0.568) 3.210 9.951 ( 0.000 15.298 -24.517) 28.898 12.753 ( 0.000 4.476 -6.442) 7.844 12.959 ( -0.000 -3.808 -0.200) 3.813 27.675 ( -0.000 -6.112 -0.566) 6.138 30.980 ( -0.000 -11.818 15.826) 19.752 ======================= Grid point 477 (174/288) ======================= q-point: ( 0.43 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.670 ( -1.045 8.820 -9.009) 12.651 1.769 ( 7.482 18.953 1.036) 20.403 2.972 ( 5.482 -2.795 -2.162) 6.522 3.108 ( 5.557 27.813 1.639) 28.410 3.743 ( -18.926 -4.463 -2.090) 19.557 4.509 ( 15.072 3.602 -4.331) 16.090 6.459 ( -2.092 2.984 2.740) 4.559 6.692 ( 4.211 5.959 0.371) 7.306 6.760 ( -0.731 5.900 1.187) 6.063 6.992 ( -6.690 -4.293 0.788) 7.988 10.051 ( 11.424 -0.435 -14.776) 18.682 12.423 ( -25.124 -4.282 -2.472) 25.606 13.227 ( 18.460 8.096 -4.354) 20.622 27.607 ( -1.066 -4.896 -0.520) 5.037 30.908 ( -2.979 -9.857 13.280) 16.805 ======================= Grid point 478 (175/288) ======================= q-point: ( 0.50 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.707 ( -0.950 12.158 -11.112) 16.499 2.128 ( 11.021 19.244 1.232) 22.211 3.013 ( 8.005 -9.490 -3.108) 12.798 3.336 ( -20.530 -4.505 0.463) 21.023 3.470 ( 6.835 18.023 1.194) 19.313 4.822 ( 14.921 9.947 -3.496) 18.270 6.471 ( -1.779 3.993 2.489) 5.030 6.768 ( -5.314 -5.546 1.713) 7.870 6.791 ( -1.808 2.877 0.993) 3.541 6.852 ( 1.296 2.638 -0.447) 2.973 10.151 ( 9.907 -8.769 -7.897) 15.408 11.901 ( -24.264 -11.739 -0.952) 26.971 13.610 ( 14.895 14.126 -4.224) 20.958 27.545 ( -1.131 -3.284 -0.499) 3.509 30.804 ( -4.702 -8.212 10.319) 14.001 ======================= Grid point 479 (176/288) ======================= q-point: ( 0.57 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.813 ( 2.161 17.468 -8.912) 19.729 2.506 ( 9.385 19.454 1.533) 21.654 2.889 ( -22.467 0.307 0.461) 22.474 3.077 ( 11.616 -19.841 -1.940) 23.073 3.727 ( 6.589 8.333 0.739) 10.649 5.163 ( 11.838 14.739 -3.064) 19.151 6.493 ( -1.996 3.598 2.240) 4.685 6.548 ( -6.715 -11.721 1.476) 13.589 6.774 ( -3.516 1.150 2.623) 4.536 6.957 ( 5.751 1.543 -1.876) 6.243 10.110 ( -3.576 -6.339 -3.443) 8.051 11.416 ( -11.776 -20.402 -0.522) 23.562 13.957 ( 9.651 15.950 -2.809) 18.853 27.503 ( -0.561 -1.814 -0.457) 1.953 30.677 ( -5.691 -7.012 7.346) 11.641 ======================= Grid point 480 (177/288) ======================= q-point: ( 0.64 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.063 ( 7.634 21.491 -3.367) 23.054 2.492 ( -22.755 -1.695 3.098) 23.027 2.815 ( 4.141 16.698 1.206) 17.246 3.098 ( 13.207 -18.274 -3.309) 22.789 3.862 ( 5.196 -1.322 -0.140) 5.363 5.471 ( 6.201 18.129 -3.215) 19.428 6.321 ( -2.836 -15.379 0.998) 15.670 6.520 ( -1.158 2.956 1.769) 3.635 6.721 ( -4.385 -0.859 4.431) 6.293 7.045 ( 6.013 -2.181 -2.807) 6.985 9.898 ( -16.551 3.641 -1.009) 16.977 11.125 ( 5.724 -28.310 -0.406) 28.886 14.218 ( 3.760 15.177 -1.552) 15.712 27.486 ( 0.279 -0.697 -0.496) 0.900 30.539 ( -5.979 -5.965 4.997) 9.814 ======================= Grid point 481 (178/288) ======================= q-point: ( 0.71 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.450 ( 12.383 21.752 0.899) 25.046 2.116 ( -20.438 -2.059 3.920) 20.912 2.960 ( 1.493 2.887 -0.612) 3.307 3.135 ( 6.230 -7.020 -1.786) 9.554 3.892 ( 4.480 -7.673 -1.057) 8.948 5.678 ( -2.784 19.606 -3.958) 20.194 6.172 ( 3.336 -15.467 0.494) 15.830 6.536 ( 1.275 -0.612 1.582) 2.122 6.652 ( -4.701 -1.822 6.063) 7.885 7.093 ( 5.033 -4.522 -3.261) 7.511 9.696 ( -14.404 13.459 -0.240) 19.715 11.021 ( 15.460 -30.527 -0.150) 34.219 14.367 ( -1.984 12.877 -0.938) 13.063 27.493 ( 1.156 0.055 -0.788) 1.400 30.406 ( -5.422 -4.839 3.922) 8.258 ======================= Grid point 482 (179/288) ======================= q-point: (-0.21 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.688 ( -12.256 -1.543 -0.867) 12.383 2.001 ( 10.030 18.662 7.103) 22.345 2.947 ( -4.195 -0.098 -0.973) 4.307 3.115 ( 1.709 -9.243 -1.669) 9.546 3.874 ( 2.859 -7.426 -1.200) 8.047 5.709 ( -12.308 16.327 -4.393) 20.912 6.147 ( 9.519 -12.016 0.503) 15.338 6.564 ( -5.125 2.770 4.114) 7.132 6.590 ( 5.108 -8.109 3.600) 10.238 7.100 ( 2.178 -3.829 -2.952) 5.303 9.711 ( -2.739 19.997 -0.324) 20.186 11.035 ( 20.026 -28.170 -0.164) 34.563 14.396 ( -6.955 9.555 -1.046) 11.864 27.518 ( 1.931 0.504 -1.478) 2.483 30.300 ( -3.968 -3.609 4.596) 7.064 ======================= Grid point 483 (180/288) ======================= q-point: (-0.14 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( -15.538 -4.652 -1.303) 16.272 2.475 ( 17.777 14.527 5.935) 23.712 2.780 ( -17.394 4.530 0.534) 17.982 3.052 ( 8.011 -15.534 -3.456) 17.816 3.824 ( -2.822 -3.007 -0.442) 4.147 5.563 ( -16.882 9.836 -4.041) 19.952 6.260 ( 13.369 -6.200 1.008) 14.771 6.473 ( -5.632 -2.981 4.688) 7.911 6.660 ( 5.887 -3.317 1.310) 6.883 7.068 ( -2.020 -0.742 -1.919) 2.884 9.969 ( 9.637 17.924 -1.378) 20.397 11.155 ( 22.452 -19.862 -0.437) 29.980 14.310 ( -10.921 5.374 -1.998) 12.335 27.553 ( 2.515 0.683 -2.573) 3.662 30.245 ( -1.752 -2.436 7.154) 7.758 ======================= Grid point 491 (181/288) ======================= q-point: ( 0.43 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.727 ( 0.000 10.315 -11.767) 15.648 1.875 ( 0.000 16.689 0.455) 16.695 2.837 ( -0.000 -11.533 -2.242) 11.749 3.351 ( 0.000 26.639 1.837) 26.702 3.990 ( 0.000 5.911 -1.279) 6.048 4.303 ( 0.000 -0.087 -2.504) 2.505 6.504 ( -0.000 1.510 1.477) 2.112 6.731 ( 0.000 7.959 -0.384) 7.968 6.832 ( -0.000 5.696 1.702) 5.945 7.027 ( -0.000 -3.082 0.161) 3.087 9.832 ( 0.000 -11.166 -8.084) 13.785 12.863 ( -0.000 -5.639 -0.098) 5.640 12.887 ( 0.000 13.951 -6.786) 15.514 27.568 ( -0.000 -4.329 -0.209) 4.334 30.890 ( -0.000 -9.325 10.701) 14.194 ======================= Grid point 492 (182/288) ======================= q-point: ( 0.50 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.786 ( 0.143 13.280 -13.325) 18.813 2.116 ( 9.246 15.366 0.343) 17.936 2.736 ( 5.287 -16.077 -2.239) 17.071 3.606 ( 1.137 20.049 1.778) 20.160 3.742 ( -24.156 3.270 0.100) 24.376 4.584 ( 20.475 6.144 -1.328) 21.418 6.523 ( -0.011 1.942 0.637) 2.044 6.804 ( -0.129 4.717 -1.400) 4.922 6.871 ( -3.705 2.662 1.975) 4.971 6.929 ( -5.835 -0.418 0.804) 5.905 9.771 ( 11.807 -17.539 -4.035) 21.524 12.350 ( -32.667 -2.114 -1.602) 32.774 13.381 ( 23.631 10.578 -3.461) 26.120 27.525 ( -0.495 -3.155 -0.051) 3.194 30.821 ( -2.348 -8.344 7.864) 11.704 ======================= Grid point 493 (183/288) ======================= q-point: ( 0.57 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.903 ( 2.541 17.725 -11.240) 21.142 2.469 ( 13.669 13.664 0.367) 19.331 2.681 ( 9.513 -17.901 -2.532) 20.429 3.336 ( -25.928 1.412 1.820) 26.031 3.781 ( -0.025 11.600 1.460) 11.692 5.005 ( 19.387 9.789 -0.802) 21.733 6.549 ( -0.012 2.574 -0.095) 2.576 6.633 ( -12.934 -7.265 0.975) 14.866 6.846 ( -1.170 1.472 -0.644) 1.987 6.940 ( -1.399 5.017 1.448) 5.406 9.820 ( 15.211 -18.351 -1.947) 23.915 11.731 ( -33.820 -5.337 -0.828) 34.248 13.841 ( 18.380 11.585 -2.082) 21.826 27.492 ( -0.423 -1.873 0.039) 1.920 30.717 ( -4.012 -7.322 5.040) 9.752 ======================= Grid point 494 (184/288) ======================= q-point: ( 0.64 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.135 ( 6.418 21.236 -6.102) 23.009 2.622 ( 10.528 -18.703 -2.745) 21.637 2.875 ( 6.331 9.959 -2.054) 11.978 2.922 ( -17.602 2.980 5.078) 18.561 3.839 ( -2.006 2.559 0.861) 3.363 5.417 ( 16.291 12.004 -0.602) 20.245 6.325 ( -11.819 -10.175 0.816) 15.617 6.567 ( -1.636 1.931 -0.812) 2.658 6.828 ( -2.395 1.414 2.383) 3.662 6.951 ( -0.315 -0.081 -1.027) 1.078 9.892 ( 11.392 -12.326 -0.765) 16.802 11.124 ( -27.297 -9.102 -0.394) 28.777 14.205 ( 11.942 10.576 -0.973) 15.981 27.475 ( 0.002 -0.794 0.060) 0.796 30.589 ( -4.900 -6.280 2.727) 8.420 ======================= Grid point 495 (185/288) ======================= q-point: ( 0.71 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.473 ( 9.808 21.136 -1.274) 23.336 2.494 ( -22.751 -1.822 2.338) 22.943 2.610 ( 10.896 -18.683 -2.669) 21.792 3.227 ( 7.750 15.587 0.799) 17.426 3.776 ( -2.525 -6.834 -0.120) 7.286 5.779 ( 10.693 14.326 -0.998) 17.905 6.067 ( -6.029 -10.144 0.399) 11.807 6.507 ( -3.785 -3.785 -0.436) 5.370 6.810 ( -6.437 4.265 5.526) 9.495 6.940 ( 4.807 -5.185 -4.002) 8.124 9.958 ( 1.912 2.932 -0.227) 3.507 10.662 ( -10.149 -17.349 -0.120) 20.100 14.442 ( 5.123 8.224 -0.412) 9.698 27.476 ( 0.563 -0.014 -0.085) 0.570 30.456 ( -4.844 -5.142 1.501) 7.222 ======================= Grid point 496 (186/288) ======================= q-point: (-0.21 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.803 ( 4.008 11.003 -0.759) 11.735 2.153 ( -12.586 0.741 4.926) 13.536 2.631 ( 11.936 -12.386 -3.775) 17.610 3.380 ( -10.933 12.113 1.824) 16.419 3.695 ( 7.340 -9.435 -1.404) 12.036 5.950 ( 2.207 -6.218 0.263) 6.604 6.011 ( -3.400 16.492 -2.812) 17.072 6.408 ( 3.386 -10.794 1.967) 11.482 6.715 ( -7.874 -1.506 3.523) 8.757 6.994 ( 5.494 -0.477 -2.475) 6.044 10.000 ( -9.052 16.958 -0.245) 19.224 10.482 ( 13.690 -22.967 0.029) 26.737 14.537 ( -1.369 4.848 -0.386) 5.052 27.492 ( 1.104 0.482 -0.528) 1.315 30.343 ( -3.758 -3.926 1.822) 5.732 ======================= Grid point 497 (187/288) ======================= q-point: (-0.14 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.623 ( -17.893 -2.601 -2.830) 18.301 2.260 ( 13.838 -7.600 4.868) 16.521 2.790 ( 11.316 9.167 -2.512) 14.778 3.151 ( -17.646 -3.130 1.314) 17.970 3.793 ( 5.060 1.944 -0.386) 5.434 5.912 ( -16.453 5.877 -3.255) 17.772 6.027 ( 9.906 -0.279 0.730) 9.937 6.477 ( 8.222 -5.189 3.694) 10.400 6.572 ( -4.791 -4.292 0.852) 6.488 7.069 ( 2.169 3.165 -1.241) 4.033 9.986 ( -1.581 0.315 -0.582) 1.714 10.674 ( 20.906 -0.224 -0.210) 20.908 14.488 ( -7.049 0.584 -0.915) 7.132 27.517 ( 1.526 0.714 -1.340) 2.152 30.274 ( -1.770 -2.802 3.846) 5.076 ======================= Grid point 506 (188/288) ======================= q-point: ( 0.50 0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.861 ( 0.000 15.544 -14.926) 21.550 2.166 ( 0.000 12.431 -0.141) 12.431 2.517 ( -0.000 -17.617 -1.477) 17.679 3.793 ( 0.000 16.433 1.921) 16.545 4.148 ( 0.000 9.018 -0.174) 9.019 4.303 ( -0.000 0.576 1.104) 1.245 6.532 ( 0.000 0.877 -0.587) 1.055 6.851 ( 0.000 5.069 -2.746) 5.765 6.969 ( -0.000 6.137 3.447) 7.038 6.972 ( -0.000 -2.401 -0.030) 2.401 9.461 ( -0.000 -19.938 -1.601) 20.002 12.746 ( -0.000 -5.841 0.027) 5.841 13.133 ( 0.000 14.224 -3.583) 14.668 27.501 ( -0.000 -2.458 0.230) 2.468 30.789 ( -0.000 -7.892 5.091) 9.392 ======================= Grid point 507 (189/288) ======================= q-point: ( 0.57 0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.985 ( 2.379 19.007 -13.519) 23.445 2.356 ( 6.368 -4.311 -0.461) 7.704 2.384 ( 8.409 -4.188 -1.192) 9.469 3.817 ( -26.249 2.934 2.124) 26.498 3.926 ( -2.252 10.822 1.577) 11.166 4.707 ( 24.042 5.762 1.076) 24.747 6.546 ( 1.315 0.894 -1.521) 2.200 6.814 ( -11.608 -2.222 -0.023) 11.819 6.879 ( -2.312 1.687 -2.421) 3.749 7.042 ( -1.324 5.511 3.270) 6.543 9.377 ( 12.199 -18.379 -0.750) 22.072 12.296 ( -33.970 -2.374 -0.461) 34.056 13.561 ( 24.146 9.045 -1.320) 25.818 27.481 ( -0.184 -1.497 0.431) 1.568 30.713 ( -2.009 -7.136 2.309) 7.765 ======================= Grid point 508 (190/288) ======================= q-point: ( 0.64 0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.209 ( 5.805 21.831 -9.016) 24.323 2.272 ( 6.923 -18.948 -1.748) 20.248 2.701 ( 17.076 7.580 -1.108) 18.716 3.387 ( -27.104 1.132 3.551) 27.360 3.952 ( -4.843 4.639 1.392) 6.849 5.171 ( 22.451 6.335 1.418) 23.371 6.510 ( -16.746 -4.718 0.309) 17.400 6.582 ( 1.144 1.096 -1.893) 2.468 6.840 ( -2.200 -0.149 -3.154) 3.848 7.051 ( -4.582 3.564 3.458) 6.757 9.478 ( 17.562 -13.433 -0.361) 22.114 11.655 ( -37.078 -2.166 -0.243) 37.142 14.016 ( 19.642 6.886 -0.249) 20.816 27.471 ( -0.090 -0.554 0.594) 0.817 30.604 ( -3.399 -6.205 -0.054) 7.075 ======================= Grid point 509 (191/288) ======================= q-point: ( 0.71 0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.517 ( 7.937 20.482 -3.571) 22.254 2.219 ( 9.507 -17.139 -3.585) 19.924 2.925 ( -20.632 0.240 1.977) 20.728 3.096 ( 13.073 4.894 0.991) 13.994 3.862 ( -8.623 -0.426 1.102) 8.703 5.602 ( 20.061 5.726 1.724) 20.933 6.179 ( -14.888 -4.610 0.024) 15.586 6.577 ( -4.155 0.918 -1.551) 4.529 6.799 ( 2.284 -3.314 -4.699) 6.187 6.991 ( -6.995 2.105 4.266) 8.459 9.693 ( 18.603 -5.789 0.014) 19.483 11.020 ( -33.993 -1.968 -0.077) 34.050 14.350 ( 12.725 4.344 0.250) 13.449 27.472 ( 0.155 0.216 0.667) 0.718 30.481 ( -3.892 -5.134 -1.488) 6.612 ======================= Grid point 510 (192/288) ======================= q-point: (-0.21 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.790 ( 7.279 5.777 1.237) 9.375 2.228 ( 4.385 -7.346 -6.532) 10.764 2.577 ( -14.897 4.028 4.669) 16.123 3.402 ( 15.962 -2.994 -1.484) 16.308 3.677 ( -12.011 1.521 1.285) 12.175 5.953 ( -5.248 -0.755 -0.077) 5.302 5.980 ( 15.536 3.342 1.899) 16.005 6.432 ( -11.246 -0.870 -1.655) 11.400 6.758 ( -0.978 -8.360 -3.073) 8.960 6.961 ( -0.552 5.492 2.544) 6.078 9.997 ( 19.288 0.486 0.209) 19.295 10.483 ( -26.639 0.302 -0.023) 26.640 14.532 ( 5.261 0.968 0.318) 5.358 27.485 ( 0.420 0.761 0.514) 1.009 30.365 ( -3.313 -3.996 -1.541) 5.414 ======================= Grid point 511 (193/288) ======================= q-point: (-0.14 0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.868 ( -2.054 -3.558 0.000) 4.108 1.994 ( -7.846 -13.589 -0.000) 15.691 2.740 ( 11.233 19.456 -0.000) 22.466 3.314 ( -9.079 -15.725 -0.000) 18.158 3.737 ( 6.004 10.399 0.000) 12.007 5.940 ( 3.038 5.261 -0.000) 6.075 6.157 ( -7.297 -12.638 0.000) 14.594 6.300 ( 6.220 10.774 -0.000) 12.440 6.604 ( -4.990 -8.643 -0.000) 9.980 7.060 ( 3.411 5.909 0.000) 6.823 10.008 ( -9.516 -16.481 -0.000) 19.031 10.481 ( 13.490 23.365 -0.000) 26.980 14.550 ( -1.893 -3.278 -0.000) 3.785 27.504 ( 0.608 1.053 -0.000) 1.216 30.283 ( -1.710 -2.961 -0.000) 3.419 ======================= Grid point 522 (194/288) ======================= q-point: ( 0.57 0.57 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.100 ( 0.000 21.306 -13.637) 25.297 2.154 ( -0.000 -17.904 -0.373) 17.908 2.351 ( 0.000 6.405 -0.820) 6.458 4.035 ( 0.000 6.753 1.806) 6.990 4.300 ( 0.000 5.708 0.153) 5.710 4.342 ( -0.000 0.891 4.615) 4.700 6.528 ( 0.000 0.176 -2.665) 2.671 6.894 ( 0.000 2.316 -3.316) 4.044 6.938 ( -0.000 -1.071 0.372) 1.134 7.107 ( -0.000 3.982 3.649) 5.401 9.098 ( -0.000 -14.281 -0.528) 14.291 12.647 ( -0.000 -3.850 -0.010) 3.850 13.349 ( 0.000 8.935 -0.384) 8.943 27.474 ( -0.000 -0.813 0.783) 1.129 30.665 ( -0.000 -6.595 -0.490) 6.613 ======================= Grid point 523 (195/288) ======================= q-point: ( 0.64 0.57 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.301 ( 3.977 23.300 -10.657) 25.929 2.004 ( 2.931 -17.422 -0.648) 17.679 2.494 ( 11.333 3.069 -1.311) 11.814 3.883 ( -27.333 1.068 3.759) 27.611 4.069 ( -3.508 2.612 1.303) 4.563 4.810 ( 25.625 2.657 2.931) 25.929 6.533 ( 2.100 -0.014 -3.459) 4.047 6.777 ( -15.078 -1.196 0.380) 15.131 6.881 ( -2.786 0.920 -3.288) 4.407 7.149 ( -1.336 1.916 3.612) 4.302 9.102 ( 12.674 -7.605 -0.532) 14.790 12.259 ( -33.128 -0.929 0.039) 33.141 13.694 ( 23.128 4.550 0.653) 23.581 27.473 ( -0.072 -0.012 1.144) 1.147 30.582 ( -1.671 -5.813 -2.947) 6.728 ======================= Grid point 524 (196/288) ======================= q-point: (-0.29 -0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.576 ( 5.531 18.297 -4.649) 19.672 1.919 ( 6.923 -11.498 -3.542) 13.881 2.755 ( 17.544 -0.783 -2.032) 17.678 3.434 ( -27.200 -0.102 4.673) 27.599 3.997 ( -6.416 -1.027 1.131) 6.595 5.266 ( 23.741 0.966 3.290) 23.988 6.455 ( -19.359 -0.713 -0.064) 19.372 6.569 ( 3.385 -0.343 -3.438) 4.838 6.797 ( -5.331 -0.582 -4.158) 6.786 7.121 ( -4.537 0.015 3.896) 5.980 9.340 ( 18.444 0.501 -0.097) 18.451 11.640 ( -37.644 0.665 0.215) 37.651 14.103 ( 19.550 1.607 1.092) 19.646 27.481 ( -0.069 0.741 1.467) 1.645 30.474 ( -2.641 -4.864 -4.595) 7.194 ======================= Grid point 525 (197/288) ======================= q-point: (-0.21 -0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.671 ( 3.877 -11.020 1.710) 11.807 2.099 ( 10.834 16.860 -7.668) 21.458 2.930 ( -9.944 -2.384 1.669) 10.361 3.096 ( 3.068 -4.495 1.096) 5.551 3.859 ( -7.862 -0.896 1.032) 7.980 5.656 ( 20.751 -2.761 3.614) 21.243 6.155 ( -15.055 2.515 -0.638) 15.277 6.592 ( -1.913 1.094 -1.292) 2.555 6.661 ( -3.845 -4.347 -6.164) 8.466 7.058 ( -3.868 0.670 3.539) 5.285 9.706 ( 18.585 7.283 0.421) 19.966 11.032 ( -34.271 3.087 0.261) 34.411 14.382 ( 12.161 -1.674 1.167) 12.331 27.497 ( -0.070 1.332 1.597) 2.080 30.363 ( -2.624 -3.849 -4.987) 6.824 ======================= Grid point 537 (198/288) ======================= q-point: (-0.36 -0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.456 ( 0.000 24.178 -9.535) 25.990 1.815 ( -0.000 -15.485 -0.742) 15.503 2.398 ( 0.000 -0.571 -1.504) 1.608 4.100 ( -0.000 -1.350 1.426) 1.964 4.359 ( -0.000 -0.043 0.237) 0.241 4.414 ( -0.000 0.929 7.565) 7.622 6.493 ( 0.000 -0.520 -4.545) 4.574 6.894 ( 0.000 0.748 -3.489) 3.568 6.936 ( -0.000 0.216 0.931) 0.955 7.171 ( -0.000 -0.821 3.668) 3.759 8.942 ( 0.000 0.043 -0.889) 0.890 12.606 ( 0.000 -0.117 -0.139) 0.182 13.471 ( -0.000 2.800 1.947) 3.410 27.483 ( -0.000 0.719 1.737) 1.879 30.523 ( 0.000 -5.180 -5.537) 7.582 ======================= Grid point 538 (199/288) ======================= q-point: (-0.29 -0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.605 ( 0.683 -5.785 -0.488) 5.846 1.776 ( 5.700 15.809 -7.942) 18.587 2.468 ( 11.095 -4.182 -1.890) 12.007 3.917 ( -26.682 -1.405 4.414) 27.081 4.058 ( -4.015 -4.556 0.937) 6.145 4.857 ( 25.527 -1.169 4.721) 25.986 6.486 ( 2.392 -0.997 -5.139) 5.755 6.776 ( -15.821 0.647 0.267) 15.837 6.862 ( -3.745 0.101 -3.199) 4.926 7.170 ( -0.864 -3.062 3.654) 4.845 9.104 ( 13.260 8.691 -0.422) 15.860 12.270 ( -32.490 1.992 0.329) 32.553 13.750 ( 22.093 -0.093 2.291) 22.212 27.502 ( -0.124 1.485 2.305) 2.744 30.436 ( -1.253 -4.378 -7.379) 8.671 ======================= Grid point 539 (200/288) ======================= q-point: (-0.21 -0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.492 ( 1.557 -15.518 0.308) 15.599 2.109 ( 9.499 25.626 -6.875) 28.182 2.641 ( 16.192 -8.654 -2.115) 18.481 3.456 ( -26.714 -1.894 4.668) 27.185 3.933 ( -4.502 -6.382 0.842) 7.855 5.266 ( 22.627 -4.284 4.725) 23.509 6.480 ( -18.498 3.103 -0.487) 18.763 6.501 ( 3.230 -2.521 -5.203) 6.622 6.763 ( -6.238 0.415 -3.145) 6.998 7.114 ( -2.587 -3.982 3.417) 5.851 9.511 ( 18.154 16.485 0.606) 24.530 11.687 ( -37.292 3.694 0.618) 37.480 14.103 ( 18.317 -2.949 2.279) 18.692 27.527 ( -0.335 2.130 2.664) 3.427 30.336 ( -1.736 -3.512 -8.028) 8.933 ======================= Grid point 552 (201/288) ======================= q-point: (-0.29 -0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.473 ( -0.000 -15.073 -0.598) 15.085 1.927 ( 0.000 26.823 -7.405) 27.826 2.306 ( -0.000 -7.177 -1.900) 7.425 4.010 ( -0.000 -8.883 1.073) 8.948 4.301 ( -0.000 -5.915 0.152) 5.917 4.506 ( -0.000 0.819 9.591) 9.626 6.431 ( 0.000 -1.151 -5.990) 6.100 6.864 ( 0.000 -0.789 -3.284) 3.378 6.956 ( -0.000 0.801 0.874) 1.186 7.137 ( -0.000 -5.696 3.572) 6.723 9.105 ( 0.000 17.037 -0.254) 17.039 12.642 ( 0.000 3.830 -0.152) 3.833 13.502 ( -0.000 -2.021 4.002) 4.484 27.534 ( -0.000 2.303 3.080) 3.846 30.369 ( 0.000 -3.730 -9.401) 10.114 ======================= Grid point 553 (202/288) ======================= q-point: (-0.21 -0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.323 ( 0.437 -14.989 -1.380) 15.059 2.213 ( 5.422 26.868 -5.816) 28.020 2.304 ( 10.267 -10.387 -1.963) 14.736 3.880 ( -10.533 -8.705 2.441) 13.881 3.919 ( -16.870 -7.803 2.012) 18.695 4.856 ( 22.784 -3.473 6.480) 23.941 6.407 ( 1.785 -1.897 -6.248) 6.769 6.791 ( -9.953 0.307 -1.251) 10.036 6.840 ( -7.695 0.523 -1.420) 7.843 7.096 ( -0.201 -7.197 3.269) 7.907 9.437 ( 13.366 24.408 0.955) 27.845 12.341 ( -32.384 4.533 0.723) 32.708 13.739 ( 20.990 -3.435 3.816) 21.609 27.572 ( -0.330 3.010 3.577) 4.687 30.286 ( -0.783 -3.019 -10.224) 10.689 ======================= Grid point 567 (203/288) ======================= q-point: (-0.21 -0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.166 ( -0.000 -14.282 -2.758) 14.546 2.091 ( -0.000 -12.705 -2.027) 12.866 2.405 ( 0.000 25.882 -4.563) 26.281 3.762 ( -0.000 -17.477 1.047) 17.508 4.144 ( -0.000 -9.257 -0.224) 9.260 4.607 ( -0.000 0.611 10.310) 10.328 6.348 ( 0.000 -1.578 -6.683) 6.867 6.804 ( 0.000 -2.923 -2.488) 3.839 6.979 ( 0.000 1.073 0.184) 1.089 7.018 ( -0.000 -8.894 3.112) 9.423 9.593 ( 0.000 30.799 1.904) 30.858 12.743 ( 0.000 6.115 -0.054) 6.115 13.473 ( -0.000 -4.937 5.825) 7.636 27.626 ( -0.000 3.769 4.097) 5.567 30.218 ( 0.000 -2.454 -11.143) 11.410 ======================= Grid point 644 (204/288) ======================= q-point: ( 0.21 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.370 ( -0.000 -0.000 8.439) 8.439 0.370 ( -0.000 0.000 8.439) 8.439 0.394 ( -0.000 0.000 8.349) 8.349 2.528 ( 0.000 -0.000 -0.545) 0.545 4.565 ( 0.000 -0.000 -7.917) 7.917 4.565 ( 0.000 -0.000 -7.917) 7.917 6.277 ( -0.000 0.000 5.081) 5.081 6.277 ( -0.000 0.000 5.081) 5.081 6.355 ( -0.000 0.000 0.149) 0.149 7.197 ( -0.000 -0.000 0.168) 0.168 7.197 ( -0.000 0.000 0.168) 0.168 13.024 ( 0.000 -0.000 0.006) 0.006 13.024 ( -0.000 0.000 0.006) 0.006 28.008 ( 0.000 -0.000 -0.050) 0.050 31.706 ( 0.000 -0.000 -0.135) 0.135 ======================= Grid point 645 (205/288) ======================= q-point: ( 0.29 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.430 ( 0.820 0.473 6.015) 6.089 0.546 ( 14.452 8.344 5.196) 17.478 1.110 ( 39.301 22.690 3.126) 45.488 2.605 ( 6.671 3.852 -0.557) 7.723 4.376 ( -10.621 -6.132 -7.471) 14.360 4.591 ( 2.768 1.598 -8.003) 8.618 6.269 ( -1.171 -0.676 5.212) 5.385 6.374 ( 4.223 2.438 1.301) 5.047 6.453 ( 5.762 3.327 2.290) 7.036 7.172 ( -1.935 -1.117 0.306) 2.255 8.186 ( 69.591 40.179 -34.053) 87.275 12.964 ( -5.071 -2.928 -0.211) 5.860 13.016 ( -0.453 -0.262 -0.062) 0.527 27.945 ( -4.950 -2.858 0.123) 5.717 31.482 ( -16.441 -9.492 10.054) 21.483 ======================= Grid point 646 (206/288) ======================= q-point: ( 0.36 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.466 ( 0.665 0.384 1.046) 1.297 0.947 ( 18.108 10.454 2.859) 21.103 2.002 ( 37.173 21.462 1.684) 42.957 2.793 ( 8.868 5.120 -0.730) 10.266 4.064 ( -12.910 -7.454 -5.534) 15.901 4.620 ( 2.855 1.648 -8.396) 9.021 6.269 ( -0.909 -0.525 5.519) 5.618 6.493 ( 5.444 3.143 1.010) 6.367 6.596 ( 6.227 3.595 1.651) 7.377 7.118 ( -2.776 -1.603 0.643) 3.270 9.410 ( 47.761 27.575 -41.457) 68.994 12.831 ( -4.793 -2.767 -2.287) 5.988 12.997 ( -1.334 -0.770 -0.122) 1.545 27.813 ( -6.092 -3.517 -0.171) 7.036 31.178 ( -14.491 -8.367 16.630) 23.591 ======================= Grid point 647 (207/288) ======================= q-point: ( 0.43 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.458 ( -0.704 -0.407 -5.544) 5.603 1.371 ( 17.872 10.319 2.186) 20.753 2.781 ( 27.754 16.024 1.523) 32.084 2.922 ( 2.838 1.638 -1.716) 3.699 3.834 ( -3.319 -1.917 -2.311) 4.476 4.647 ( 2.779 1.605 -8.993) 9.548 6.275 ( -0.717 -0.414 5.948) 6.006 6.613 ( 4.521 2.610 0.765) 5.277 6.755 ( 7.357 4.247 0.588) 8.515 7.058 ( -2.669 -1.541 0.785) 3.180 9.957 ( 13.258 7.654 -24.499) 28.889 12.792 ( 4.129 2.384 -6.808) 8.312 12.949 ( -3.011 -1.738 -0.117) 3.479 27.683 ( -4.968 -2.868 -0.784) 5.790 30.962 ( -11.154 -6.440 16.125) 20.637 ======================= Grid point 648 (208/288) ======================= q-point: ( 0.50 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.397 ( -0.160 -0.093 -12.946) 12.947 1.765 ( 15.641 9.030 2.037) 18.175 2.717 ( -13.289 -7.672 0.100) 15.345 3.428 ( 23.243 13.419 0.393) 26.841 3.915 ( 8.778 5.068 -0.145) 10.137 4.668 ( 2.548 1.471 -9.641) 10.080 6.287 ( -0.604 -0.349 6.425) 6.463 6.700 ( 2.864 1.653 0.627) 3.366 6.933 ( 8.050 4.648 -0.389) 9.304 7.008 ( -1.890 -1.091 0.469) 2.232 9.873 ( -11.759 -6.789 -9.091) 16.341 12.859 ( -4.678 -2.701 -0.041) 5.402 12.957 ( 12.140 7.009 -8.484) 16.386 27.586 ( -3.142 -1.814 -1.134) 3.801 30.793 ( -9.453 -5.458 13.232) 17.153 ======================= Grid point 649 (209/288) ======================= q-point: ( 0.57 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.428 ( 9.752 5.630 -11.711) 16.246 2.086 ( 11.438 6.603 1.919) 13.346 2.381 ( -15.668 -9.046 2.649) 18.285 3.859 ( 14.446 8.340 0.012) 16.681 4.137 ( 9.398 5.426 0.104) 10.852 4.679 ( 2.165 1.250 -10.198) 10.500 6.302 ( -0.577 -0.333 6.851) 6.883 6.753 ( 1.600 0.924 1.061) 2.131 6.977 ( -0.849 -0.490 -0.201) 1.001 7.106 ( 7.106 4.102 -1.340) 8.314 9.466 ( -19.397 -11.199 -1.907) 22.479 12.745 ( -5.107 -2.948 0.066) 5.897 13.211 ( 11.890 6.865 -6.056) 15.006 27.531 ( -1.285 -0.742 -1.200) 1.909 30.638 ( -8.614 -4.974 10.008) 14.110 ======================= Grid point 650 (210/288) ======================= q-point: ( 0.64 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.749 ( 19.613 11.324 -1.258) 22.682 2.047 ( -14.961 -8.638 4.442) 17.838 2.291 ( 5.678 3.278 1.715) 6.777 4.089 ( 6.012 3.471 -0.555) 6.964 4.309 ( 5.319 3.071 -0.219) 6.146 4.678 ( 1.668 0.963 -10.572) 10.746 6.319 ( -0.629 -0.363 7.132) 7.168 6.787 ( 0.928 0.536 1.860) 2.147 6.966 ( -0.039 -0.022 -0.852) 0.854 7.228 ( 3.956 2.284 -2.121) 5.037 9.069 ( -13.554 -7.825 0.685) 15.666 12.643 ( -3.471 -2.004 0.152) 4.010 13.418 ( 7.769 4.485 -3.452) 9.612 27.515 ( 0.340 0.196 -1.288) 1.346 30.488 ( -7.797 -4.502 7.518) 11.729 ======================= Grid point 651 (211/288) ======================= q-point: (-0.29 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.259 ( 23.799 13.740 4.146) 27.792 1.737 ( -14.082 -8.130 4.826) 16.961 2.355 ( -0.590 -0.341 1.580) 1.720 4.137 ( -1.290 -0.745 -1.179) 1.900 4.368 ( -0.113 -0.065 -0.357) 0.380 4.664 ( 1.147 0.662 -10.716) 10.798 6.334 ( -0.757 -0.437 7.216) 7.269 6.813 ( 0.444 0.256 2.553) 2.604 6.965 ( 0.252 0.145 -1.126) 1.163 7.257 ( -0.557 -0.322 -2.716) 2.791 8.913 ( 0.203 0.117 1.253) 1.274 12.601 ( -0.126 -0.073 0.174) 0.227 13.531 ( 3.242 1.872 -2.316) 4.402 27.532 ( 1.655 0.955 -1.727) 2.576 30.354 ( -6.509 -3.758 6.550) 9.970 ======================= Grid point 652 (212/288) ======================= q-point: (-0.21 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.444 ( -13.254 -7.652 3.830) 15.777 1.839 ( 24.648 14.230 5.773) 29.040 2.282 ( -6.317 -3.647 1.692) 7.488 4.027 ( -7.868 -4.542 -1.384) 9.190 4.303 ( -5.262 -3.038 -0.197) 6.080 4.639 ( 0.730 0.421 -10.621) 10.655 6.345 ( -1.009 -0.583 7.062) 7.158 6.825 ( -0.544 -0.314 2.793) 2.862 6.967 ( 0.386 0.223 -0.861) 0.970 7.181 ( -4.930 -2.846 -3.107) 6.486 9.100 ( 15.616 9.016 0.548) 18.040 12.640 ( 3.359 1.939 0.127) 3.881 13.548 ( -0.704 -0.407 -2.963) 3.073 27.572 ( 2.638 1.523 -2.701) 4.070 30.256 ( -4.605 -2.659 7.669) 9.332 ======================= Grid point 659 (213/288) ======================= q-point: ( 0.29 0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.462 ( -0.000 1.343 5.354) 5.520 0.711 ( 0.000 18.741 4.328) 19.234 1.039 ( 0.000 44.233 3.232) 44.351 2.602 ( 0.000 7.604 -0.558) 7.624 4.445 ( 0.000 -2.374 -7.455) 7.824 4.452 ( 0.000 -7.121 -7.712) 10.497 6.354 ( -0.000 1.864 4.515) 4.884 6.378 ( -0.000 5.996 2.707) 6.578 6.402 ( -0.000 2.794 1.346) 3.101 7.186 ( -0.000 -1.533 0.324) 1.567 8.049 ( 0.000 72.235 -26.770) 77.036 12.950 ( -0.000 -6.740 -0.145) 6.741 13.027 ( 0.000 -0.122 -0.061) 0.136 27.946 ( -0.000 -5.755 0.216) 5.759 31.521 ( -0.000 -16.049 7.788) 17.839 ======================= Grid point 660 (214/288) ======================= q-point: ( 0.36 0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.489 ( -0.675 1.797 1.679) 2.550 0.939 ( 4.579 21.650 3.053) 22.338 1.734 ( 24.963 35.627 1.866) 43.542 2.736 ( 5.407 9.206 -0.615) 10.695 4.165 ( -12.128 -9.659 -6.026) 16.634 4.509 ( 6.575 -1.571 -7.748) 10.283 6.334 ( -3.176 1.953 4.664) 5.971 6.477 ( 2.476 6.601 1.125) 7.139 6.525 ( 6.399 2.698 2.021) 7.232 7.140 ( -2.634 -2.692 0.626) 3.818 8.935 ( 32.708 56.033 -34.951) 73.696 12.808 ( -5.518 -11.102 -0.123) 12.398 13.047 ( 1.108 2.683 -0.893) 3.037 27.851 ( -3.569 -6.329 0.315) 7.273 31.330 ( -8.043 -13.667 12.382) 20.119 ======================= Grid point 661 (215/288) ======================= q-point: ( 0.43 0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.479 ( -2.386 1.944 -3.836) 4.918 1.295 ( 10.442 20.249 2.427) 22.912 2.503 ( 27.012 26.694 1.144) 37.994 2.912 ( 3.856 7.032 -1.046) 8.088 3.845 ( -8.531 -11.178 -3.516) 14.494 4.577 ( 4.851 2.646 -8.006) 9.728 6.330 ( -1.988 1.687 5.149) 5.771 6.591 ( 2.838 5.466 0.922) 6.228 6.674 ( 6.950 3.471 0.781) 7.808 7.061 ( -2.382 -4.939 1.032) 5.580 9.724 ( 21.894 30.619 -27.294) 46.495 12.586 ( -2.319 -17.237 -0.955) 17.418 13.107 ( -0.408 10.062 -2.427) 10.359 27.724 ( -4.299 -5.152 0.052) 6.711 31.122 ( -8.999 -10.008 13.670) 19.183 ======================= Grid point 662 (216/288) ======================= q-point: ( 0.50 0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.415 ( -4.177 3.707 -10.109) 11.549 1.687 ( 11.155 18.674 2.251) 21.868 2.886 ( -10.565 -0.080 -0.448) 10.575 3.174 ( 23.591 18.085 0.185) 29.726 3.719 ( 7.820 -9.468 -1.312) 12.349 4.661 ( 2.501 8.613 -8.018) 12.030 6.340 ( -1.539 1.739 5.635) 6.095 6.680 ( 2.122 3.251 0.684) 3.942 6.839 ( 7.662 4.025 -0.282) 8.659 6.977 ( -0.634 -7.432 1.062) 7.534 9.994 ( -3.809 10.921 -13.215) 17.562 12.426 ( 8.586 -24.108 -2.273) 25.692 13.220 ( -1.782 19.770 -3.935) 20.237 27.614 ( -3.353 -3.458 -0.334) 4.829 30.940 ( -8.655 -7.859 12.027) 16.772 ======================= Grid point 663 (217/288) ======================= q-point: ( 0.57 0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.386 ( 0.512 11.434 -11.056) 15.914 2.044 ( 8.531 16.764 2.165) 18.934 2.602 ( -17.257 -4.753 1.530) 17.965 3.671 ( 17.592 10.448 -0.077) 20.460 3.831 ( 15.882 -12.382 -1.810) 20.219 4.763 ( -0.692 15.556 -7.545) 17.303 6.358 ( -1.472 1.955 6.083) 6.557 6.735 ( 1.552 0.998 1.012) 2.104 6.895 ( 1.741 -9.871 0.542) 10.038 7.016 ( 7.808 3.454 -1.290) 8.635 9.771 ( -21.550 1.287 -4.005) 21.957 12.358 ( 14.416 -29.589 -1.755) 32.961 13.399 ( -1.997 25.644 -4.060) 26.040 27.541 ( -1.823 -1.879 -0.616) 2.690 30.770 ( -8.346 -6.736 9.435) 14.284 ======================= Grid point 664 (218/288) ======================= q-point: ( 0.64 0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.618 ( 11.959 17.684 -1.219) 21.383 2.261 ( -16.449 -5.527 3.583) 17.718 2.313 ( 2.850 13.762 1.858) 14.176 3.949 ( 16.195 -17.535 -3.131) 24.074 3.978 ( 10.504 3.110 -0.733) 10.979 4.868 ( -4.747 20.706 -6.864) 22.324 6.379 ( -1.664 2.190 6.422) 6.986 6.766 ( 1.631 -1.265 1.687) 2.666 6.837 ( 4.462 -12.447 0.073) 13.223 7.161 ( 6.193 2.319 -2.264) 6.990 9.367 ( -23.215 1.348 -0.334) 23.256 12.303 ( 14.699 -30.627 -0.735) 33.979 13.594 ( -3.566 25.087 -2.837) 25.497 27.508 ( -0.285 -0.631 -0.891) 1.128 30.604 ( -7.837 -5.918 7.224) 12.191 ======================= Grid point 665 (219/288) ======================= q-point: ( 0.71 0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.078 ( 18.526 18.973 4.667) 26.925 1.937 ( -15.823 -6.486 4.107) 17.587 2.449 ( -2.936 10.953 1.839) 11.488 3.998 ( 14.501 -22.011 -4.340) 26.714 4.101 ( 3.662 -1.645 -1.026) 4.143 4.934 ( -9.253 22.235 -6.440) 24.929 6.398 ( -2.009 2.243 6.594) 7.249 6.778 ( 4.130 -7.725 1.001) 8.817 6.812 ( 4.980 -9.085 1.102) 10.419 7.238 ( 2.431 0.096 -2.922) 3.802 9.083 ( -13.564 7.722 0.781) 15.627 12.263 ( 15.636 -28.934 -0.248) 32.889 13.730 ( -6.731 22.051 -1.919) 23.135 27.508 ( 1.023 0.266 -1.401) 1.755 30.453 ( -6.731 -4.956 6.303) 10.469 ======================= Grid point 666 (220/288) ======================= q-point: (-0.21 0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.590 ( 1.362 2.974 1.368) 3.545 1.671 ( 5.190 9.049 8.237) 13.292 2.443 ( -9.154 7.325 1.858) 11.870 3.976 ( 11.468 -23.363 -4.522) 26.416 4.071 ( -2.107 -5.853 -1.076) 6.314 4.929 ( -12.992 20.893 -6.328) 25.404 6.410 ( -2.370 1.781 6.553) 7.193 6.777 ( 7.247 -11.959 0.182) 13.984 6.825 ( 3.468 -5.230 2.257) 6.669 7.215 ( -2.266 -2.238 -3.297) 4.584 9.097 ( 1.097 16.485 0.616) 16.533 12.274 ( 18.002 -26.830 -0.250) 32.311 13.779 ( -10.192 19.002 -2.142) 21.669 27.533 ( 2.040 0.865 -2.321) 3.208 30.339 ( -4.843 -3.693 7.245) 9.465 ======================= Grid point 674 (221/288) ======================= q-point: ( 0.36 0.36 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.521 ( 0.000 2.356 -0.693) 2.455 1.124 ( 0.000 20.053 1.515) 20.110 1.932 ( 0.000 42.660 2.149) 42.714 2.786 ( 0.000 10.368 -0.658) 10.389 4.192 ( 0.000 -11.413 -6.785) 13.277 4.350 ( 0.000 -1.470 -5.414) 5.610 6.425 ( -0.000 1.851 3.197) 3.694 6.481 ( -0.000 3.972 2.040) 4.465 6.542 ( 0.000 8.113 1.525) 8.255 7.147 ( -0.000 -2.670 0.426) 2.704 9.096 ( 0.000 55.758 -30.029) 63.330 12.789 ( -0.000 -7.688 -1.191) 7.780 13.011 ( -0.000 -1.597 -0.225) 1.613 27.812 ( -0.000 -7.471 0.480) 7.486 31.304 ( -0.000 -14.215 11.540) 18.309 ======================= Grid point 675 (222/288) ======================= q-point: ( 0.43 0.36 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.522 ( -1.617 2.956 -5.029) 6.053 1.378 ( 5.891 20.833 1.164) 21.681 2.464 ( 13.235 35.370 1.615) 37.800 2.915 ( 3.949 8.067 -0.964) 9.033 3.901 ( -13.001 -11.365 -4.433) 17.829 4.442 ( 9.630 1.095 -5.416) 11.103 6.414 ( -2.956 2.623 3.232) 5.106 6.599 ( 5.782 3.955 1.107) 7.092 6.633 ( 0.692 7.162 1.219) 7.298 7.079 ( -4.113 -3.957 0.720) 5.752 9.611 ( 16.209 36.024 -23.445) 45.936 12.571 ( -12.270 -11.318 -0.689) 16.707 13.098 ( 8.184 3.939 -1.877) 9.275 27.722 ( -2.193 -6.623 0.446) 6.991 31.181 ( -4.404 -11.931 11.418) 17.091 ======================= Grid point 676 (223/288) ======================= q-point: ( 0.50 0.36 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.485 ( -3.162 5.227 -9.726) 11.486 1.729 ( 9.418 21.269 1.478) 23.308 3.023 ( 0.717 4.643 -1.640) 4.976 3.031 ( 15.473 24.628 1.265) 29.113 3.564 ( -7.686 -14.050 -2.105) 16.153 4.623 ( 8.876 7.930 -5.124) 12.959 6.415 ( -1.965 2.889 3.571) 4.996 6.707 ( 0.139 5.193 1.039) 5.298 6.749 ( 6.929 3.706 -0.053) 7.858 6.949 ( -4.813 -7.105 1.152) 8.659 10.032 ( 9.604 16.454 -14.063) 23.680 12.210 ( -10.493 -18.874 -0.366) 21.598 13.315 ( 7.950 13.327 -3.284) 15.862 27.624 ( -2.576 -4.800 0.212) 5.452 31.029 ( -6.216 -9.784 10.050) 15.341 ======================= Grid point 677 (224/288) ======================= q-point: ( 0.57 0.36 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.474 ( -1.174 12.035 -10.259) 15.857 2.106 ( 8.637 21.154 1.814) 22.921 2.886 ( -17.236 0.252 0.502) 17.245 3.432 ( 11.363 -16.064 -2.217) 19.802 3.505 ( 14.561 13.595 0.081) 19.921 4.848 ( 6.310 14.951 -4.609) 16.870 6.432 ( -1.418 3.117 3.931) 5.213 6.747 ( -0.549 2.554 1.394) 2.961 6.795 ( -2.901 -11.410 1.212) 11.835 6.904 ( 7.552 2.929 -1.331) 8.208 10.092 ( -10.309 5.865 -5.867) 13.233 11.897 ( 1.700 -26.897 -0.783) 26.962 13.585 ( 5.480 19.883 -3.168) 20.866 27.548 ( -1.847 -2.906 -0.078) 3.444 30.865 ( -6.987 -8.364 7.855) 13.434 ======================= Grid point 678 (225/288) ======================= q-point: ( 0.64 0.36 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.644 ( 6.628 19.162 -2.851) 20.476 2.434 ( 4.364 20.189 2.080) 20.760 2.549 ( -19.906 -2.690 2.643) 20.260 3.476 ( 14.949 -19.524 -3.909) 24.899 3.824 ( 11.233 5.046 -0.394) 12.320 5.076 ( 1.972 19.862 -4.337) 20.425 6.459 ( -1.276 3.261 4.329) 5.568 6.642 ( 0.296 -15.177 0.589) 15.191 6.756 ( -0.485 -0.540 2.426) 2.532 7.046 ( 7.424 0.930 -2.416) 7.863 9.812 ( -23.347 4.305 -1.525) 23.789 11.730 ( 12.352 -32.092 -0.742) 34.395 13.844 ( 1.530 21.717 -2.161) 21.878 27.504 ( -0.715 -1.371 -0.391) 1.595 30.696 ( -7.089 -7.294 5.837) 11.727 ======================= Grid point 679 (226/288) ======================= q-point: ( 0.71 0.36 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.027 ( 13.532 21.349 3.429) 25.508 2.195 ( -18.864 -4.094 3.644) 19.644 2.655 ( -2.120 18.121 2.039) 18.358 3.506 ( 14.631 -22.016 -4.812) 26.868 3.986 ( 6.663 -2.126 -1.039) 7.071 5.249 ( -4.058 21.862 -4.469) 22.680 6.483 ( -0.397 -0.513 3.923) 3.976 6.525 ( 3.341 -13.668 0.913) 14.100 6.748 ( 0.646 -3.505 3.382) 4.913 7.144 ( 5.666 -1.679 -3.196) 6.718 9.474 ( -20.784 8.838 -0.050) 22.585 11.657 ( 16.815 -33.292 -0.341) 37.299 14.031 ( -3.230 20.385 -1.370) 20.685 27.491 ( 0.394 -0.293 -0.856) 0.987 30.536 ( -6.375 -6.166 4.877) 10.122 ======================= Grid point 680 (227/288) ======================= q-point: (-0.21 0.36 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.515 ( 15.773 18.921 4.375) 25.018 1.868 ( -15.632 -2.755 4.348) 16.458 2.728 ( -9.419 14.558 2.117) 17.468 3.499 ( 13.345 -23.507 -5.064) 27.501 4.012 ( 2.132 -6.158 -1.261) 6.637 5.317 ( -10.439 20.821 -4.676) 23.756 6.454 ( 8.848 -16.952 0.217) 19.123 6.514 ( -2.731 2.919 4.886) 6.313 6.746 ( 2.725 -5.541 3.729) 7.214 7.170 ( 2.159 -3.813 -3.575) 5.656 9.338 ( -8.812 16.631 0.159) 18.822 11.643 ( 19.580 -32.240 -0.247) 37.721 14.119 ( -7.812 17.702 -1.342) 19.396 27.502 ( 1.311 0.391 -1.617) 2.118 30.407 ( -4.710 -4.799 5.557) 8.723 ======================= Grid point 689 (228/288) ======================= q-point: ( 0.43 0.43 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.540 ( 0.000 3.828 -8.349) 9.185 1.519 ( 0.000 19.204 -0.045) 19.204 2.727 ( 0.000 34.973 1.920) 35.026 2.931 ( 0.000 3.582 -1.433) 3.858 3.960 ( 0.000 -4.794 -4.678) 6.698 4.298 ( 0.000 -0.386 -2.257) 2.289 6.480 ( -0.000 1.590 1.400) 2.118 6.594 ( 0.000 5.933 1.328) 6.080 6.709 ( 0.000 7.354 1.288) 7.466 7.091 ( -0.000 -3.221 0.224) 3.229 9.686 ( 0.000 23.633 -16.288) 28.702 12.692 ( 0.000 1.530 -3.262) 3.603 12.956 ( -0.000 -3.754 -0.244) 3.762 27.676 ( -0.000 -6.525 0.558) 6.548 31.145 ( -0.000 -11.718 9.736) 15.235 ======================= Grid point 690 (229/288) ======================= q-point: ( 0.50 0.43 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.532 ( -1.165 6.232 -12.102) 13.662 1.776 ( 7.961 18.868 -0.038) 20.479 2.943 ( 5.213 -4.025 -2.258) 6.963 3.129 ( 5.407 28.293 1.632) 28.851 3.719 ( -18.110 -2.614 -1.603) 18.368 4.467 ( 14.296 4.710 -1.990) 15.183 6.484 ( -1.426 2.288 1.042) 2.890 6.695 ( 3.828 5.163 0.179) 6.430 6.777 ( -0.726 6.274 1.493) 6.490 7.000 ( -6.216 -4.416 0.399) 7.635 9.892 ( 11.657 6.246 -9.520) 16.295 12.397 ( -23.644 -4.825 -1.427) 24.173 13.185 ( 17.534 7.172 -2.317) 19.086 27.608 ( -1.202 -5.196 0.469) 5.354 31.045 ( -3.009 -10.584 7.887) 13.539 ======================= Grid point 691 (230/288) ======================= q-point: ( 0.57 0.43 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.552 ( 0.410 12.025 -12.308) 17.213 2.139 ( 11.654 19.020 0.442) 22.310 2.971 ( 7.671 -10.151 -3.322) 13.150 3.348 ( -20.014 -3.566 1.332) 20.373 3.485 ( 6.626 18.794 1.066) 19.957 4.788 ( 14.129 11.163 -1.724) 18.089 6.494 ( -0.857 2.878 0.963) 3.154 6.783 ( -2.699 -4.621 0.479) 5.373 6.805 ( -1.953 1.849 0.968) 2.858 6.849 ( -1.149 2.728 0.240) 2.970 10.069 ( 10.460 -4.958 -4.701) 12.494 11.891 ( -23.650 -12.081 -0.539) 26.562 13.568 ( 14.894 14.433 -2.310) 20.868 27.544 ( -1.323 -3.429 0.275) 3.686 30.908 ( -4.830 -9.409 5.711) 12.020 ======================= Grid point 692 (231/288) ======================= q-point: ( 0.64 0.43 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.711 ( 5.582 18.520 -6.218) 20.318 2.522 ( 10.026 19.047 0.873) 21.542 2.897 ( -16.179 -1.162 0.600) 16.232 3.053 ( 5.483 -17.718 -1.638) 18.619 3.735 ( 5.930 8.571 0.434) 10.432 5.132 ( 10.860 15.841 -1.642) 19.276 6.514 ( -0.853 2.096 1.072) 2.504 6.563 ( -6.815 -11.896 0.795) 13.733 6.808 ( -2.621 1.893 2.471) 4.070 6.932 ( 4.812 1.424 -1.895) 5.364 10.076 ( -2.745 -4.836 -1.788) 5.841 11.411 ( -11.765 -20.388 -0.289) 23.541 13.930 ( 9.822 16.598 -1.442) 19.341 27.501 ( -0.792 -1.820 0.042) 1.985 30.749 ( -5.697 -8.313 3.726) 10.744 ======================= Grid point 693 (232/288) ======================= q-point: ( 0.71 0.43 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.042 ( 10.890 21.428 0.210) 24.037 2.535 ( -22.132 -1.548 3.437) 22.451 2.832 ( 4.835 14.452 1.355) 15.300 3.048 ( 12.367 -16.106 -4.291) 20.755 3.858 ( 4.481 -1.223 -0.478) 4.669 5.437 ( 4.942 19.009 -2.081) 19.751 6.331 ( -3.047 -15.455 0.429) 15.758 6.539 ( 0.171 0.848 1.277) 1.542 6.779 ( -3.918 0.826 4.360) 5.919 7.005 ( 5.683 -2.592 -3.358) 7.092 9.888 ( -16.066 3.971 -0.439) 16.555 11.121 ( 5.725 -28.143 -0.152) 28.720 14.203 ( 3.804 15.664 -0.773) 16.138 27.481 ( -0.050 -0.621 -0.281) 0.683 30.589 ( -5.554 -7.124 2.639) 9.411 ======================= Grid point 694 (233/288) ======================= q-point: (-0.21 0.43 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.475 ( 13.577 20.152 2.746) 24.453 2.168 ( -19.860 -1.555 4.087) 20.336 2.947 ( 6.193 -7.981 -1.408) 10.200 3.113 ( 1.574 4.067 -1.575) 4.636 3.877 ( 4.157 -7.766 -1.212) 8.892 5.633 ( -3.942 20.026 -2.975) 20.626 6.177 ( 3.274 -15.385 0.260) 15.731 6.557 ( 2.436 -2.410 1.618) 3.789 6.730 ( -4.741 -0.458 5.781) 7.491 7.046 ( 5.218 -4.627 -4.041) 8.060 9.694 ( -14.282 13.369 -0.141) 19.563 11.020 ( 15.428 -30.424 -0.042) 34.112 14.356 ( -2.188 13.150 -0.656) 13.347 27.482 ( 0.639 0.162 -0.811) 1.045 30.451 ( -4.298 -5.727 2.999) 7.763 ======================= Grid point 704 (234/288) ======================= q-point: ( 0.50 0.50 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.550 ( 0.000 8.467 -15.264) 17.455 1.873 ( 0.000 16.848 -0.777) 16.866 2.804 ( -0.000 -11.505 -2.750) 11.829 3.376 ( 0.000 26.649 1.942) 26.720 3.970 ( 0.000 7.483 -1.725) 7.680 4.296 ( -0.000 0.586 1.420) 1.537 6.510 ( 0.000 1.090 -0.672) 1.280 6.726 ( 0.000 6.404 -0.364) 6.415 6.857 ( -0.000 6.564 2.015) 6.867 7.027 ( -0.000 -3.171 -0.073) 3.172 9.749 ( 0.000 -6.564 -4.708) 8.078 12.821 ( 0.000 13.658 -3.414) 14.078 12.862 ( -0.000 -5.532 -0.100) 5.533 27.571 ( -0.000 -4.534 0.515) 4.563 30.995 ( -0.000 -10.412 5.630) 11.836 ======================= Grid point 705 (235/288) ======================= q-point: ( 0.57 0.50 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.596 ( 1.567 13.321 -15.495) 20.494 2.113 ( 9.566 15.416 -0.755) 18.158 2.701 ( 4.926 -15.439 -3.040) 16.489 3.629 ( 0.913 20.103 1.776) 20.202 3.752 ( -23.271 4.121 1.385) 23.674 4.582 ( 19.633 6.883 1.028) 20.830 6.518 ( 0.375 1.333 -1.415) 1.980 6.785 ( 0.475 3.874 -1.465) 4.169 6.893 ( -6.270 -0.336 1.169) 6.387 6.945 ( -3.520 2.984 1.603) 4.885 9.732 ( 11.637 -15.081 -2.058) 19.160 12.335 ( -32.508 -1.695 -0.752) 32.560 13.349 ( 23.782 10.776 -1.486) 26.151 27.529 ( -0.580 -3.227 0.460) 3.310 30.894 ( -2.353 -9.734 3.306) 10.546 ======================= Grid point 706 (236/288) ======================= q-point: ( 0.64 0.50 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.760 ( 5.860 18.777 -10.222) 22.168 2.468 ( 14.136 13.537 -0.484) 19.578 2.639 ( 8.733 -17.250 -3.744) 19.694 3.371 ( -25.251 1.812 3.495) 25.556 3.800 ( -0.426 11.691 1.365) 11.779 5.006 ( 18.606 10.601 0.951) 21.436 6.538 ( 0.662 1.781 -1.636) 2.507 6.643 ( -12.777 -7.463 0.513) 14.805 6.824 ( 0.438 0.675 -2.407) 2.538 6.971 ( -2.910 5.743 2.991) 7.099 9.802 ( 15.196 -17.231 -0.806) 22.988 11.724 ( -33.674 -5.243 -0.314) 34.081 13.823 ( 18.474 12.163 -0.644) 22.128 27.495 ( -0.573 -1.805 0.382) 1.932 30.757 ( -3.868 -8.815 1.241) 9.706 ======================= Grid point 707 (237/288) ======================= q-point: ( 0.71 0.50 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( 9.932 21.585 -3.845) 24.069 2.580 ( 9.859 -19.258 -3.546) 21.923 2.851 ( 7.253 10.570 -1.641) 12.924 2.988 ( -17.638 3.020 4.967) 18.572 3.850 ( -2.678 2.807 0.760) 3.953 5.418 ( 15.251 12.949 0.762) 20.021 6.332 ( -11.826 -10.376 0.216) 15.734 6.554 ( -0.900 1.070 -1.088) 1.772 6.827 ( 2.074 -1.229 -2.476) 3.456 6.963 ( -4.328 2.375 2.665) 5.610 9.886 ( 11.459 -11.866 -0.163) 16.497 11.121 ( -27.205 -9.080 -0.132) 28.681 14.198 ( 11.902 11.027 -0.096) 16.225 27.478 ( -0.250 -0.613 0.265) 0.713 30.606 ( -4.358 -7.686 -0.026) 8.836 ======================= Grid point 708 (238/288) ======================= q-point: ( 0.79 0.50 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.465 ( 11.971 20.735 -0.000) 23.943 2.511 ( -6.966 -12.065 -0.000) 13.932 2.590 ( -4.905 -8.495 0.000) 9.809 3.233 ( 8.709 15.084 -0.000) 17.417 3.775 ( -3.681 -6.376 -0.000) 7.362 5.772 ( 8.932 15.471 -0.000) 17.864 6.070 ( -5.960 -10.323 -0.000) 11.920 6.504 ( -2.536 -4.392 -0.000) 5.071 6.868 ( 1.699 2.942 0.000) 3.397 6.892 ( -2.612 -4.524 -0.000) 5.224 9.956 ( 1.799 3.116 -0.000) 3.598 10.661 ( -10.024 -17.362 -0.000) 20.048 14.439 ( 4.915 8.513 -0.000) 9.830 27.476 ( 0.135 0.233 -0.000) 0.269 30.466 ( -3.659 -6.337 -0.000) 7.317 ======================= Grid point 720 (239/288) ======================= q-point: ( 0.57 0.57 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.653 ( 0.000 16.663 -16.726) 23.609 2.158 ( 0.000 12.552 -1.154) 12.605 2.489 ( -0.000 -16.556 -2.581) 16.756 3.818 ( 0.000 16.418 1.881) 16.525 4.145 ( 0.000 9.530 -0.255) 9.534 4.342 ( -0.000 1.196 4.981) 5.123 6.510 ( 0.000 0.461 -2.794) 2.832 6.818 ( 0.000 4.037 -2.312) 4.652 6.972 ( -0.000 -2.257 0.045) 2.257 7.012 ( -0.000 6.709 3.222) 7.442 9.446 ( -0.000 -18.915 -0.759) 18.930 12.746 ( -0.000 -5.806 -0.002) 5.806 13.104 ( 0.000 15.123 -0.959) 15.154 27.507 ( -0.000 -2.409 0.574) 2.476 30.827 ( -0.000 -9.474 0.862) 9.513 ======================= Grid point 721 (240/288) ======================= q-point: ( 0.64 0.57 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.808 ( 4.618 20.690 -13.169) 24.956 2.341 ( 4.340 -12.900 -1.938) 13.748 2.362 ( 9.997 5.408 -2.002) 11.541 3.854 ( -25.909 3.505 3.492) 26.377 3.947 ( -2.019 10.705 1.604) 11.011 4.734 ( 23.297 6.122 3.172) 24.296 6.513 ( 1.614 0.460 -3.543) 3.921 6.809 ( -7.844 -0.647 -0.901) 7.922 6.851 ( -5.969 -0.347 -1.598) 6.189 7.086 ( -1.326 5.769 3.388) 6.820 9.369 ( 12.208 -18.107 -0.443) 21.843 12.293 ( -34.092 -2.171 -0.023) 34.161 13.553 ( 24.251 9.631 0.169) 26.094 27.489 ( -0.256 -1.302 0.697) 1.499 30.719 ( -1.863 -8.804 -1.302) 9.093 ======================= Grid point 722 (241/288) ======================= q-point: ( 0.71 0.57 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.099 ( 8.949 22.935 -7.468) 25.727 2.239 ( 6.179 -18.393 -3.074) 19.645 2.681 ( 16.858 7.345 -1.851) 18.481 3.442 ( -26.603 1.387 4.805) 27.069 3.970 ( -5.023 4.565 1.372) 6.925 5.200 ( 21.823 6.919 3.039) 23.094 6.510 ( -14.390 -4.142 -0.481) 14.982 6.551 ( -0.465 0.018 -2.768) 2.806 6.794 ( -2.524 -0.746 -3.746) 4.579 7.099 ( -4.490 3.821 3.712) 6.967 9.475 ( 17.740 -13.342 -0.168) 22.198 11.654 ( -37.142 -2.032 0.059) 37.198 14.018 ( 19.537 7.334 0.617) 20.878 27.480 ( -0.261 -0.224 0.817) 0.886 30.585 ( -2.895 -7.822 -2.739) 8.779 ======================= Grid point 736 (242/288) ======================= q-point: ( 0.64 0.64 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.925 ( 0.000 23.507 -12.701) 26.719 2.136 ( -0.000 -16.864 -2.254) 17.014 2.335 ( 0.000 6.349 -1.495) 6.523 4.058 ( 0.000 6.635 1.709) 6.852 4.302 ( 0.000 5.804 0.237) 5.809 4.425 ( -0.000 1.372 7.922) 8.040 6.480 ( 0.000 -0.175 -4.743) 4.747 6.852 ( 0.000 1.975 -3.073) 3.653 6.945 ( -0.000 -0.762 0.671) 1.015 7.154 ( -0.000 4.075 3.488) 5.364 9.090 ( -0.000 -14.463 -0.746) 14.482 12.647 ( -0.000 -3.903 -0.076) 3.903 13.355 ( 0.000 9.680 1.176) 9.751 27.486 ( -0.000 -0.461 1.050) 1.146 30.639 ( 0.000 -8.359 -3.558) 9.085 ======================= Grid point 738 (243/288) ======================= q-point: (-0.29 -0.36 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.170 ( 5.755 25.244 -9.125) 27.452 1.981 ( 2.426 -16.883 -2.693) 17.268 2.473 ( 11.136 2.933 -1.780) 11.652 3.938 ( -26.948 1.286 4.641) 27.375 4.086 ( -3.414 2.374 1.316) 4.361 4.861 ( 25.004 2.929 4.847) 25.638 6.476 ( 2.475 -0.333 -5.305) 5.863 6.782 ( -14.292 -1.000 0.238) 14.329 6.839 ( -4.099 0.606 -2.905) 5.061 7.196 ( -1.241 1.990 3.512) 4.223 9.093 ( 13.004 -7.690 -0.727) 15.125 12.260 ( -33.046 -0.858 0.165) 33.058 13.708 ( 22.873 5.116 1.417) 23.480 27.490 ( -0.167 0.487 1.407) 1.498 30.528 ( -1.345 -7.559 -5.116) 9.226 ======================= Grid point 753 (244/288) ======================= q-point: (-0.29 -0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.340 ( 0.000 26.988 -8.024) 28.155 1.789 ( -0.000 -15.926 -3.141) 16.232 2.377 ( 0.000 -0.696 -1.725) 1.860 4.119 ( -0.000 -1.585 1.476) 2.166 4.363 ( -0.000 -0.090 0.325) 0.338 4.528 ( -0.000 1.220 9.909) 9.984 6.423 ( 0.000 -0.741 -6.278) 6.321 6.850 ( 0.000 0.664 -3.186) 3.254 6.950 ( -0.000 0.281 1.142) 1.176 7.218 ( -0.000 -0.775 3.379) 3.467 8.929 ( 0.000 0.140 -1.175) 1.183 12.603 ( 0.000 -0.146 -0.174) 0.227 13.500 ( -0.000 3.610 2.377) 4.322 27.508 ( -0.000 1.362 1.971) 2.396 30.442 ( 0.000 -6.944 -6.751) 9.685 ======================= Grid point 860 (245/288) ======================= q-point: ( 0.29 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.471 ( -0.000 -0.000 7.021) 7.021 0.471 ( -0.000 0.000 7.021) 7.021 0.491 ( -0.000 0.000 6.500) 6.500 2.521 ( 0.000 -0.000 -0.544) 0.544 4.463 ( 0.000 -0.000 -7.546) 7.546 4.463 ( 0.000 -0.000 -7.546) 7.546 6.341 ( -0.000 0.000 4.597) 4.597 6.341 ( -0.000 0.000 4.597) 4.597 6.357 ( -0.000 0.000 0.144) 0.144 7.199 ( -0.000 -0.000 0.182) 0.182 7.199 ( -0.000 0.000 0.182) 0.182 13.024 ( 0.000 -0.000 0.006) 0.006 13.024 ( -0.000 0.000 0.006) 0.006 28.008 ( 0.000 -0.000 -0.014) 0.014 31.704 ( 0.000 -0.000 -0.163) 0.163 ======================= Grid point 861 (246/288) ======================= q-point: ( 0.36 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.499 ( -1.040 -0.601 4.578) 4.733 0.618 ( 12.539 7.240 5.679) 15.553 1.146 ( 38.011 21.946 2.323) 43.953 2.598 ( 6.653 3.841 -0.525) 7.701 4.287 ( -9.952 -5.746 -6.107) 13.014 4.486 ( 2.535 1.463 -7.927) 8.450 6.335 ( -0.941 -0.543 4.848) 4.968 6.390 ( 3.831 2.212 1.152) 4.572 6.480 ( 5.700 3.291 1.911) 6.854 7.176 ( -1.767 -1.020 0.393) 2.078 7.873 ( 51.795 29.904 -16.561) 62.058 12.961 ( -5.423 -3.131 -0.201) 6.265 13.016 ( -0.493 -0.285 0.027) 0.570 27.948 ( -4.814 -2.779 0.312) 5.567 31.573 ( -10.284 -5.938 4.742) 12.787 ======================= Grid point 862 (247/288) ======================= q-point: ( 0.43 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.472 ( -2.418 -1.396 -0.005) 2.792 0.991 ( 17.214 9.938 3.801) 20.237 2.019 ( 36.879 21.292 0.868) 42.593 2.784 ( 8.629 4.982 -0.672) 9.987 4.003 ( -11.684 -6.746 -3.669) 13.982 4.509 ( 2.545 1.469 -8.506) 8.999 6.339 ( -0.625 -0.361 5.219) 5.269 6.505 ( 5.343 3.085 0.927) 6.239 6.613 ( 5.743 3.316 0.866) 6.688 7.127 ( -2.624 -1.515 0.741) 3.119 8.984 ( 47.902 27.656 -25.020) 60.708 12.809 ( -6.528 -3.769 -1.375) 7.662 12.997 ( -1.375 -0.794 0.010) 1.588 27.817 ( -6.377 -3.682 0.567) 7.386 31.345 ( -11.740 -6.778 9.577) 16.598 ======================= Grid point 863 (248/288) ======================= q-point: ( 0.50 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.379 ( -4.726 -2.728 -6.134) 8.210 1.405 ( 17.473 10.088 2.957) 20.392 2.797 ( 29.219 16.870 0.862) 33.750 2.900 ( 1.192 0.688 -1.483) 2.023 3.814 ( -1.915 -1.106 -0.674) 2.312 4.528 ( 2.449 1.414 -9.128) 9.556 6.351 ( -0.406 -0.234 5.633) 5.652 6.622 ( 4.385 2.532 0.507) 5.089 6.758 ( 6.941 4.007 -0.060) 8.015 7.069 ( -2.735 -1.579 0.843) 3.268 9.691 ( 20.436 11.799 -16.398) 28.736 12.722 ( 1.549 0.895 -4.129) 4.500 12.948 ( -3.021 -1.744 -0.008) 3.488 27.681 ( -5.435 -3.138 0.337) 6.284 31.131 ( -10.838 -6.258 10.186) 16.136 ======================= Grid point 864 (249/288) ======================= q-point: ( 0.57 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.227 ( -2.910 -1.680 -12.110) 12.568 1.795 ( 15.410 8.897 2.485) 17.967 2.723 ( -12.217 -7.054 0.876) 14.135 3.428 ( 23.252 13.425 -0.409) 26.852 3.917 ( 8.956 5.171 0.521) 10.354 4.541 ( 2.249 1.299 -9.644) 9.987 6.369 ( -0.298 -0.172 6.007) 6.016 6.708 ( 3.057 1.765 0.609) 3.582 6.924 ( 7.583 4.378 -1.063) 8.820 7.014 ( -2.212 -1.277 0.493) 2.601 9.775 ( -6.997 -4.040 -5.982) 10.053 12.859 ( -4.649 -2.684 0.004) 5.368 12.866 ( 11.958 6.904 -5.572) 14.890 27.579 ( -3.521 -2.033 -0.083) 4.067 30.935 ( -10.042 -5.798 8.612) 14.444 ======================= Grid point 865 (250/288) ======================= q-point: ( 0.64 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.344 ( 15.031 8.678 0.636) 17.368 2.112 ( 11.249 6.495 2.086) 13.156 2.416 ( -14.589 -8.423 2.792) 17.076 3.854 ( 14.340 8.279 -0.773) 16.576 4.139 ( 9.164 5.291 0.202) 10.584 4.546 ( 1.928 1.113 -9.958) 10.204 6.388 ( -0.313 -0.180 6.262) 6.273 6.770 ( 2.021 1.167 1.478) 2.762 6.975 ( -1.275 -0.736 -0.180) 1.483 7.083 ( 6.731 3.886 -2.119) 8.056 9.448 ( -17.516 -10.113 -0.942) 20.248 12.745 ( -5.055 -2.918 0.054) 5.837 13.145 ( 12.925 7.462 -4.050) 15.465 27.520 ( -1.572 -0.908 -0.528) 1.891 30.748 ( -9.273 -5.354 6.790) 12.679 ======================= Grid point 866 (251/288) ======================= q-point: ( 0.71 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.790 ( 21.254 12.271 7.390) 25.631 2.098 ( -14.460 -8.348 3.511) 17.062 2.314 ( 5.548 3.203 1.786) 6.650 4.078 ( 5.821 3.361 -1.218) 6.831 4.306 ( 5.159 2.978 -0.265) 5.963 4.542 ( 1.502 0.867 -10.042) 10.191 6.407 ( -0.428 -0.247 6.359) 6.379 6.816 ( 1.303 0.753 2.528) 2.942 6.955 ( -0.342 -0.197 -0.842) 0.930 7.195 ( 3.730 2.153 -2.910) 5.198 9.079 ( -12.936 -7.469 0.836) 14.961 12.645 ( -3.429 -1.980 0.126) 3.961 13.379 ( 8.412 4.857 -2.506) 10.032 27.500 ( 0.018 0.010 -1.108) 1.108 30.576 ( -8.032 -4.637 5.940) 11.014 ======================= Grid point 875 (252/288) ======================= q-point: ( 0.36 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.522 ( -0.000 -1.018 3.874) 4.006 0.758 ( 0.000 16.952 2.792) 17.180 1.083 ( 0.000 42.682 3.428) 42.819 2.595 ( 0.000 7.592 -0.479) 7.607 4.353 ( 0.000 -6.952 -7.345) 10.114 4.360 ( 0.000 -1.888 -5.490) 5.805 6.402 ( 0.000 5.247 1.004) 5.342 6.405 ( -0.000 1.549 3.231) 3.583 6.431 ( -0.000 3.357 2.975) 4.486 7.190 ( -0.000 -1.407 0.189) 1.420 7.803 ( 0.000 55.003 -12.950) 56.507 12.949 ( -0.000 -6.974 0.023) 6.974 13.026 ( 0.000 -0.207 -0.136) 0.247 27.949 ( -0.000 -5.497 0.344) 5.508 31.592 ( -0.000 -10.252 3.682) 10.893 ======================= Grid point 876 (253/288) ======================= q-point: ( 0.43 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.503 ( -2.026 -1.420 0.601) 2.546 0.976 ( 5.272 20.033 2.612) 20.880 1.756 ( 24.111 35.534 1.467) 42.967 2.729 ( 5.325 9.108 -0.501) 10.562 4.096 ( -10.891 -9.470 -4.439) 15.100 4.415 ( 5.540 -0.744 -6.548) 8.610 6.388 ( -2.207 1.461 3.675) 4.529 6.492 ( 2.420 6.564 1.143) 7.088 6.547 ( 5.485 2.625 1.318) 6.222 7.147 ( -2.340 -2.544 0.499) 3.492 8.591 ( 30.027 51.442 -19.200) 62.582 12.807 ( -5.678 -11.117 -0.088) 12.483 13.038 ( 0.728 1.955 -0.469) 2.138 27.857 ( -3.586 -6.302 0.646) 7.280 31.449 ( -6.131 -10.433 6.568) 13.768 ======================= Grid point 877 (254/288) ======================= q-point: ( 0.50 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.424 ( -4.652 -1.589 -4.119) 6.413 1.328 ( 10.757 19.347 2.566) 22.285 2.514 ( 26.707 26.898 0.409) 37.907 2.900 ( 3.529 6.786 -0.710) 7.682 3.810 ( -6.990 -11.082 -1.859) 13.234 4.480 ( 3.758 3.830 -6.848) 8.700 6.391 ( -1.104 1.202 4.240) 4.544 6.602 ( 2.528 5.479 0.746) 6.080 6.680 ( 6.465 3.288 0.071) 7.253 7.073 ( -2.270 -4.733 0.872) 5.321 9.444 ( 25.078 33.350 -16.118) 44.732 12.575 ( -3.611 -16.695 -0.684) 17.095 13.084 ( -0.793 8.542 -1.213) 8.664 27.729 ( -4.542 -5.355 0.642) 7.051 31.259 ( -8.144 -9.156 7.767) 14.508 ======================= Grid point 878 (255/288) ======================= q-point: ( 0.57 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.290 ( -6.522 1.577 -7.952) 10.405 1.718 ( 11.253 18.231 2.412) 21.560 2.885 ( -9.950 0.033 0.319) 9.955 3.173 ( 23.519 18.498 -0.386) 29.924 3.705 ( 8.415 -10.581 -0.811) 13.543 4.564 ( 1.405 10.404 -6.676) 12.441 6.408 ( -0.697 1.275 4.689) 4.909 6.688 ( 2.089 3.550 0.533) 4.153 6.831 ( 7.210 3.650 -0.891) 8.131 6.989 ( -0.905 -7.217 0.866) 7.325 9.858 ( 0.899 13.890 -7.730) 15.922 12.401 ( 7.502 -23.143 -1.490) 24.374 13.181 ( -2.286 18.648 -2.073) 18.902 27.615 ( -3.683 -3.679 0.300) 5.215 31.062 ( -8.647 -8.065 6.874) 13.678 ======================= Grid point 879 (256/288) ======================= q-point: ( 0.64 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.304 ( 4.729 13.903 0.520) 14.694 2.072 ( 8.473 16.604 2.152) 18.765 2.627 ( -16.239 -4.217 2.291) 16.933 3.665 ( 17.375 10.536 -0.822) 20.337 3.805 ( 15.891 -14.281 -2.229) 21.481 4.674 ( -1.689 17.623 -5.969) 18.683 6.431 ( -0.710 1.542 5.053) 5.331 6.750 ( 1.847 1.422 1.212) 2.627 6.901 ( 1.396 -9.373 0.275) 9.480 6.995 ( 7.217 2.809 -1.852) 7.962 9.732 ( -19.129 2.445 -2.031) 19.391 12.339 ( 14.742 -29.164 -1.078) 32.696 13.359 ( -2.202 25.954 -2.208) 26.140 27.537 ( -2.146 -2.034 -0.157) 2.961 30.866 ( -8.514 -7.208 5.360) 12.376 ======================= Grid point 880 (257/288) ======================= q-point: ( 0.71 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.665 ( 14.804 17.150 8.092) 24.058 2.306 ( -16.589 -5.667 3.227) 17.825 2.337 ( 3.319 14.201 1.854) 14.701 3.903 ( 16.248 -19.543 -3.819) 25.700 3.966 ( 10.256 3.625 -1.245) 10.948 4.789 ( -5.582 22.238 -5.245) 23.521 6.456 ( -1.035 1.851 5.273) 5.683 6.790 ( 2.279 -2.296 1.824) 3.714 6.840 ( 3.631 -10.711 0.363) 11.316 7.127 ( 5.933 2.022 -2.955) 6.929 9.365 ( -22.208 1.512 0.108) 22.259 12.296 ( 15.085 -30.622 -0.401) 34.138 13.565 ( -3.538 25.706 -1.587) 25.996 27.498 ( -0.656 -0.759 -0.693) 1.220 30.681 ( -7.659 -6.249 4.517) 10.868 ======================= Grid point 890 (258/288) ======================= q-point: ( 0.43 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.505 ( 0.000 -1.804 -1.602) 2.413 1.133 ( 0.000 19.378 -0.097) 19.378 1.962 ( 0.000 42.277 2.373) 42.343 2.779 ( 0.000 10.115 -0.507) 10.128 4.104 ( 0.000 -10.660 -6.564) 12.519 4.299 ( 0.000 -0.749 -2.284) 2.404 6.455 ( -0.000 1.448 1.428) 2.033 6.504 ( -0.000 4.235 1.451) 4.477 6.565 ( 0.000 7.380 1.942) 7.631 7.151 ( -0.000 -2.609 0.109) 2.611 8.801 ( 0.000 54.177 -16.219) 56.553 12.780 ( -0.000 -8.825 -0.340) 8.832 13.007 ( -0.000 -1.633 -0.285) 1.658 27.821 ( -0.000 -7.452 0.734) 7.488 31.415 ( -0.000 -11.599 6.031) 13.074 ======================= Grid point 891 (259/288) ======================= q-point: ( 0.50 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.451 ( -2.429 -1.593 -5.433) 6.161 1.387 ( 6.902 20.183 0.080) 21.331 2.485 ( 12.533 35.461 1.549) 37.643 2.903 ( 3.921 7.492 -0.765) 8.490 3.849 ( -11.455 -10.648 -3.494) 16.025 4.387 ( 8.062 2.372 -2.779) 8.852 6.447 ( -1.877 1.912 1.684) 3.164 6.610 ( 5.122 3.905 0.532) 6.463 6.649 ( 0.431 6.980 1.261) 7.106 7.086 ( -3.679 -3.940 0.325) 5.400 9.380 ( 16.665 39.058 -12.570) 44.286 12.565 ( -11.660 -11.938 -0.235) 16.690 13.081 ( 7.306 3.184 -0.926) 8.023 27.731 ( -2.288 -6.754 0.712) 7.166 31.292 ( -3.973 -10.982 5.886) 13.078 ======================= Grid point 892 (260/288) ======================= q-point: ( 0.57 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.361 ( -3.487 1.877 -8.483) 9.362 1.745 ( 10.316 20.672 0.865) 23.119 3.005 ( 2.220 5.056 -0.976) 5.608 3.045 ( 14.032 23.851 0.807) 27.685 3.541 ( -7.425 -13.436 -1.273) 15.404 4.570 ( 7.700 9.450 -2.893) 12.528 6.452 ( -0.773 1.954 2.038) 2.927 6.720 ( 0.075 5.552 1.016) 5.645 6.745 ( 6.207 3.495 -0.534) 7.143 6.961 ( -4.507 -7.140 0.635) 8.467 9.896 ( 11.525 19.855 -7.006) 24.002 12.206 ( -10.665 -18.877 -0.201) 21.682 13.284 ( 7.489 12.750 -1.515) 14.864 27.629 ( -2.778 -4.974 0.457) 5.715 31.125 ( -6.042 -9.945 4.840) 12.603 ======================= Grid point 893 (261/288) ======================= q-point: ( 0.64 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.378 ( 2.565 12.215 -3.175) 12.879 2.126 ( 9.207 20.737 1.320) 22.727 2.900 ( -15.598 0.610 1.749) 15.707 3.401 ( 9.851 -17.445 -2.517) 20.192 3.504 ( 14.374 14.712 -0.333) 20.571 4.800 ( 5.271 16.340 -2.694) 17.380 6.474 ( -0.110 2.058 2.493) 3.234 6.765 ( -0.732 2.889 1.389) 3.288 6.807 ( -2.791 -10.695 0.681) 11.074 6.884 ( 7.051 2.300 -1.756) 7.622 10.038 ( -8.385 7.415 -2.410) 11.450 11.889 ( 1.240 -26.559 -0.382) 26.591 13.556 ( 5.394 20.026 -1.333) 20.783 27.549 ( -2.099 -3.016 0.090) 3.676 30.937 ( -6.886 -8.926 3.360) 11.763 ======================= Grid point 894 (262/288) ======================= q-point: ( 0.71 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.657 ( 10.778 18.001 4.909) 21.548 2.457 ( 4.603 19.792 1.333) 20.364 2.590 ( -19.402 -2.056 3.608) 19.841 3.422 ( 14.510 -20.145 -4.189) 25.178 3.815 ( 10.766 5.220 -0.965) 12.003 5.030 ( 0.962 20.812 -2.738) 21.013 6.507 ( 0.005 2.163 3.054) 3.742 6.646 ( -0.036 -14.894 0.027) 14.894 6.790 ( -0.236 0.266 2.754) 2.776 7.011 ( 7.046 0.532 -2.966) 7.663 9.799 ( -22.470 4.649 -0.365) 22.949 11.723 ( 12.320 -31.835 -0.236) 34.137 13.824 ( 1.536 22.080 -0.794) 22.147 27.500 ( -1.034 -1.421 -0.314) 1.785 30.749 ( -6.671 -7.811 2.415) 10.553 ======================= Grid point 906 (263/288) ======================= q-point: ( 0.50 0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.426 ( 0.000 -1.243 -8.774) 8.861 1.509 ( 0.000 19.200 -1.450) 19.254 2.754 ( 0.000 34.574 2.193) 34.643 2.912 ( 0.000 2.780 -1.464) 3.142 3.899 ( 0.000 -2.888 -4.502) 5.349 4.292 ( -0.000 0.422 1.474) 1.534 6.485 ( 0.000 1.122 -0.641) 1.293 6.610 ( 0.000 5.336 1.132) 5.455 6.726 ( 0.000 7.360 1.313) 7.476 7.092 ( -0.000 -3.257 -0.157) 3.261 9.531 ( 0.000 27.748 -7.832) 28.832 12.665 ( 0.000 -0.156 -1.051) 1.063 12.953 ( -0.000 -3.680 -0.241) 3.688 27.685 ( -0.000 -6.656 0.642) 6.687 31.235 ( -0.000 -11.408 4.420) 12.234 ======================= Grid point 907 (264/288) ======================= q-point: ( 0.57 0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.371 ( -0.594 2.280 -11.978) 12.207 1.768 ( 8.690 18.795 -1.162) 20.739 2.915 ( 5.006 -5.735 -1.925) 7.852 3.149 ( 5.144 28.895 1.388) 29.382 3.703 ( -16.795 -0.645 -0.768) 16.825 4.460 ( 12.755 5.625 0.967) 13.973 6.484 ( -0.479 1.445 -0.962) 1.801 6.696 ( 3.175 4.449 -0.060) 5.465 6.797 ( -0.652 6.850 1.555) 7.055 7.002 ( -5.864 -4.476 -0.062) 7.377 9.806 ( 11.713 9.677 -3.758) 15.651 12.386 ( -22.949 -5.221 -0.370) 23.538 13.165 ( 16.977 6.721 -0.767) 18.275 27.615 ( -1.289 -5.309 0.449) 5.481 31.114 ( -2.916 -10.964 2.807) 11.687 ======================= Grid point 908 (265/288) ======================= q-point: ( 0.64 0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.412 ( 4.186 11.371 -7.989) 14.514 2.138 ( 12.504 18.688 -0.496) 22.491 2.930 ( 7.896 -11.571 -2.806) 14.287 3.370 ( -20.016 -1.990 2.138) 20.228 3.497 ( 6.192 19.477 0.747) 20.451 4.780 ( 12.989 12.144 0.441) 17.787 6.495 ( 0.363 1.783 -0.759) 1.972 6.780 ( 1.712 -0.517 -0.848) 1.979 6.811 ( -5.889 -5.103 0.040) 7.792 6.861 ( -1.853 5.721 1.556) 6.212 10.030 ( 10.691 -3.208 -1.167) 11.223 11.887 ( -23.445 -12.242 -0.074) 26.449 13.550 ( 14.784 14.586 -0.468) 20.774 27.548 ( -1.475 -3.459 0.217) 3.766 30.952 ( -4.658 -10.122 1.130) 11.200 ======================= Grid point 909 (266/288) ======================= q-point: ( 0.71 0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.668 ( 10.102 17.497 -0.000) 20.204 2.528 ( 10.739 18.600 -0.000) 21.477 2.902 ( -4.102 -7.105 -0.000) 8.204 3.041 ( -6.630 -11.483 -0.000) 13.259 3.738 ( 5.175 8.963 -0.000) 10.349 5.122 ( 9.660 16.732 -0.000) 19.321 6.521 ( 0.566 0.981 -0.000) 1.133 6.568 ( -6.911 -11.970 -0.000) 13.822 6.827 ( 0.419 0.726 0.000) 0.839 6.917 ( 1.673 2.897 -0.000) 3.346 10.065 ( -2.488 -4.310 -0.000) 4.977 11.409 ( -11.767 -20.381 -0.000) 23.533 13.920 ( 9.746 16.881 -0.000) 19.493 27.501 ( -1.017 -1.762 -0.000) 2.035 30.773 ( -5.206 -9.017 -0.000) 10.412 ======================= Grid point 922 (267/288) ======================= q-point: ( 0.57 0.57 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.344 ( 0.000 5.650 -16.073) 17.037 1.856 ( 0.000 17.111 -1.830) 17.208 2.769 ( -0.000 -12.076 -2.537) 12.339 3.399 ( 0.000 26.730 1.690) 26.784 3.948 ( 0.000 8.946 -1.674) 9.101 4.339 ( -0.000 1.330 5.117) 5.287 6.487 ( 0.000 0.612 -2.787) 2.854 6.721 ( 0.000 5.050 -0.385) 5.065 6.883 ( 0.000 7.404 1.956) 7.658 7.025 ( -0.000 -3.100 -0.281) 3.113 9.711 ( -0.000 -4.506 -1.120) 4.643 12.797 ( 0.000 13.412 -0.289) 13.415 12.860 ( -0.000 -5.441 -0.082) 5.441 27.577 ( -0.000 -4.563 0.370) 4.578 31.036 ( -0.000 -11.115 0.774) 11.142 ======================= Grid point 923 (268/288) ======================= q-point: ( 0.64 0.57 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.404 ( 4.818 13.362 -13.020) 19.269 2.097 ( 9.898 15.510 -1.659) 18.474 2.661 ( 4.621 -15.516 -2.951) 16.456 3.650 ( 0.665 20.192 1.428) 20.253 3.776 ( -21.954 5.369 2.153) 22.703 4.612 ( 18.157 7.290 3.577) 19.890 6.486 ( 0.971 0.711 -3.382) 3.590 6.767 ( 0.500 3.011 -1.367) 3.344 6.901 ( -8.046 -2.810 0.224) 8.525 6.969 ( -1.791 6.154 2.074) 6.737 9.718 ( 11.586 -14.337 -0.012) 18.433 12.331 ( -32.488 -1.603 0.197) 32.528 13.342 ( 23.746 10.920 0.378) 26.140 27.534 ( -0.646 -3.140 0.315) 3.221 30.908 ( -2.220 -10.626 -1.111) 10.912 ======================= Grid point 939 (269/288) ======================= q-point: (-0.36 -0.36 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.448 ( 0.000 18.295 -13.664) 22.834 2.138 ( 0.000 12.751 -1.840) 12.883 2.453 ( -0.000 -16.310 -2.898) 16.566 3.840 ( 0.000 16.473 1.453) 16.537 4.142 ( 0.000 10.105 -0.262) 10.109 4.428 ( -0.000 1.770 8.087) 8.279 6.461 ( 0.000 0.034 -4.775) 4.775 6.791 ( 0.000 3.079 -1.884) 3.610 6.973 ( -0.000 -1.926 0.122) 1.930 7.051 ( -0.000 7.270 2.765) 7.779 9.442 ( -0.000 -19.025 0.060) 19.025 12.746 ( -0.000 -5.804 -0.031) 5.804 13.108 ( 0.000 15.361 1.643) 15.449 27.514 ( -0.000 -2.181 0.473) 2.232 30.812 ( 0.000 -10.467 -3.120) 10.922 ======================= Grid point 1078 (270/288) ======================= q-point: ( 0.36 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.550 ( -0.000 0.000 5.084) 5.084 0.550 ( -0.000 0.000 5.084) 5.084 0.562 ( -0.000 0.000 4.423) 4.423 2.514 ( 0.000 -0.000 -0.435) 0.435 4.375 ( 0.000 -0.000 -5.860) 5.860 4.375 ( 0.000 -0.000 -5.860) 5.860 6.359 ( -0.000 0.000 0.112) 0.112 6.393 ( -0.000 0.000 3.406) 3.406 6.393 ( -0.000 0.000 3.406) 3.406 7.202 ( -0.000 -0.000 0.158) 0.158 7.202 ( -0.000 0.000 0.158) 0.158 13.024 ( 0.000 -0.000 0.005) 0.005 13.024 ( -0.000 0.000 0.005) 0.005 28.008 ( -0.000 0.000 0.014) 0.014 31.702 ( 0.000 -0.000 -0.150) 0.150 ======================= Grid point 1079 (271/288) ======================= q-point: ( 0.43 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.548 ( -2.457 -1.419 2.927) 4.077 0.688 ( 11.623 6.710 5.032) 14.333 1.168 ( 36.914 21.312 1.053) 42.638 2.592 ( 6.628 3.826 -0.390) 7.663 4.223 ( -9.144 -5.279 -3.600) 11.156 4.392 ( 1.922 1.110 -6.449) 6.820 6.391 ( -0.533 -0.308 3.704) 3.755 6.403 ( 3.875 2.237 0.816) 4.548 6.500 ( 5.123 2.958 1.057) 6.009 7.182 ( -1.578 -0.911 0.402) 1.866 7.721 ( 41.788 24.126 -7.878) 48.891 12.958 ( -5.667 -3.272 -0.228) 6.548 13.017 ( -0.490 -0.283 0.110) 0.576 27.953 ( -4.542 -2.622 0.315) 5.254 31.616 ( -7.002 -4.043 2.182) 8.375 ======================= Grid point 1080 (272/288) ======================= q-point: ( 0.50 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.470 ( -4.984 -2.878 -0.187) 5.759 1.041 ( 16.563 9.563 3.909) 19.521 2.023 ( 36.642 21.155 -0.217) 42.311 2.777 ( 8.453 4.881 -0.452) 9.771 3.973 ( -10.574 -6.105 -0.886) 12.241 4.406 ( 1.917 1.107 -7.107) 7.444 6.400 ( -0.185 -0.107 4.063) 4.069 6.516 ( 5.147 2.972 0.622) 5.976 6.618 ( 5.400 3.118 -0.123) 6.236 7.137 ( -2.473 -1.428 0.696) 2.940 8.744 ( 46.381 26.778 -12.687) 55.038 12.794 ( -7.475 -4.316 -0.925) 8.681 12.998 ( -1.409 -0.814 0.139) 1.633 27.825 ( -6.349 -3.666 0.614) 7.357 31.436 ( -9.678 -5.588 4.730) 12.136 ======================= Grid point 1081 (273/288) ======================= q-point: ( 0.57 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.317 ( -7.759 -4.480 -2.472) 9.294 1.445 ( 17.073 9.857 3.110) 19.958 2.799 ( 31.156 17.988 -0.687) 35.982 2.888 ( -0.501 -0.290 -0.178) 0.606 3.818 ( -1.251 -0.722 1.340) 1.970 4.418 ( 1.870 1.079 -7.668) 7.966 6.417 ( 0.031 0.018 4.406) 4.406 6.625 ( 4.311 2.489 0.030) 4.979 6.754 ( 6.621 3.823 -0.676) 7.675 7.079 ( -2.789 -1.610 0.741) 3.305 9.534 ( 24.004 13.858 -8.048) 28.862 12.681 ( -0.006 -0.003 -2.251) 2.251 12.948 ( -3.059 -1.766 0.102) 3.534 27.687 ( -5.659 -3.267 0.450) 6.549 31.228 ( -10.248 -5.917 4.949) 12.826 ======================= Grid point 1082 (274/288) ======================= q-point: ( 0.64 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.172 ( -0.126 -0.073 7.147) 7.148 1.827 ( 15.110 8.724 2.434) 17.617 2.740 ( -11.254 -6.498 1.786) 13.117 3.418 ( 23.217 13.405 -1.150) 26.834 3.929 ( 8.618 4.976 1.204) 10.024 4.425 ( 1.759 1.016 -8.009) 8.262 6.438 ( 0.102 0.059 4.660) 4.661 6.715 ( 3.542 2.045 0.495) 4.120 6.906 ( 7.040 4.065 -1.613) 8.288 7.020 ( -2.495 -1.441 0.428) 2.913 9.720 ( -4.345 -2.509 -2.457) 5.587 12.813 ( 11.673 6.739 -2.654) 13.737 12.860 ( -4.661 -2.691 0.048) 5.382 27.580 ( -3.810 -2.200 0.021) 4.400 31.016 ( -10.003 -5.775 3.905) 12.193 ======================= Grid point 1094 (275/288) ======================= q-point: ( 0.43 0.43 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.561 ( -0.000 -2.806 2.235) 3.587 0.781 ( 0.000 15.358 0.772) 15.378 1.125 ( 0.000 41.704 2.946) 41.807 2.590 ( 0.000 7.589 -0.305) 7.595 4.268 ( 0.000 -7.454 -5.592) 9.318 4.306 ( 0.000 -1.026 -2.616) 2.810 6.411 ( 0.000 4.915 0.402) 4.931 6.436 ( -0.000 1.088 1.564) 1.905 6.469 ( -0.000 3.875 2.603) 4.668 7.191 ( -0.000 -1.382 0.009) 1.382 7.686 ( 0.000 45.811 -5.731) 46.168 12.950 ( -0.000 -7.014 0.139) 7.015 13.024 ( 0.000 -0.314 -0.184) 0.364 27.954 ( -0.000 -5.165 0.286) 5.173 31.625 ( -0.000 -7.284 1.608) 7.459 ======================= Grid point 1095 (276/288) ======================= q-point: ( 0.50 0.43 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.507 ( -2.955 -4.050 0.093) 5.015 1.003 ( 7.022 18.192 1.514) 19.559 1.771 ( 22.777 35.930 0.797) 42.549 2.724 ( 5.253 9.039 -0.282) 10.458 4.053 ( -9.013 -10.078 -2.268) 13.709 4.346 ( 3.713 0.481 -3.807) 5.340 6.425 ( -0.933 1.024 1.966) 2.405 6.506 ( 2.525 6.347 0.868) 6.885 6.559 ( 4.145 2.903 0.527) 5.088 7.152 ( -1.959 -2.551 0.276) 3.228 8.416 ( 28.001 48.163 -8.415) 56.342 12.806 ( -5.953 -11.033 -0.045) 12.537 13.034 ( 0.656 1.543 -0.211) 1.689 27.865 ( -3.510 -6.121 0.474) 7.072 31.508 ( -4.981 -8.532 2.817) 10.273 ======================= Grid point 1096 (277/288) ======================= q-point: ( 0.57 0.43 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.385 ( -5.637 -4.669 -1.487) 7.469 1.359 ( 11.571 18.201 2.091) 21.669 2.513 ( 26.065 27.326 -0.451) 37.766 2.894 ( 3.568 6.746 -0.169) 7.634 3.799 ( -5.540 -11.896 0.148) 13.124 4.406 ( 2.165 5.302 -4.253) 7.133 6.436 ( -0.000 0.662 2.553) 2.637 6.610 ( 2.030 5.615 0.436) 5.986 6.676 ( 6.101 3.293 -0.622) 6.960 7.083 ( -2.070 -4.706 0.550) 5.170 9.301 ( 26.244 34.315 -6.196) 43.642 12.568 ( -4.389 -16.340 -0.424) 16.925 13.074 ( -0.956 7.739 -0.412) 7.808 27.737 ( -4.628 -5.387 0.393) 7.113 31.327 ( -7.479 -8.547 2.962) 11.737 ======================= Grid point 1097 (278/288) ======================= q-point: ( 0.64 0.43 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.256 ( -3.835 -0.092 3.929) 5.491 1.747 ( 11.526 17.606 2.028) 21.141 2.894 ( -8.859 0.580 1.203) 8.959 3.164 ( 23.080 18.793 -0.945) 29.779 3.699 ( 8.438 -12.555 -0.091) 15.127 4.493 ( 0.031 12.297 -4.099) 12.963 6.458 ( 0.318 0.792 3.008) 3.127 6.694 ( 2.130 4.132 0.304) 4.659 6.816 ( 6.741 3.256 -1.348) 7.606 6.998 ( -1.013 -7.178 0.510) 7.267 9.795 ( 2.949 15.188 -1.989) 15.599 12.388 ( 6.912 -22.594 -0.606) 23.635 13.164 ( -2.577 18.032 -0.598) 18.225 27.618 ( -3.880 -3.781 0.058) 5.418 31.119 ( -8.370 -8.057 1.993) 11.787 ======================= Grid point 1110 (279/288) ======================= q-point: ( 0.50 0.50 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.484 ( -0.000 -5.343 -1.400) 5.523 1.121 ( 0.000 18.919 -1.786) 19.003 1.991 ( 0.000 42.097 2.081) 42.148 2.774 ( 0.000 9.869 -0.233) 9.872 4.029 ( 0.000 -10.630 -4.906) 11.707 4.292 ( -0.000 0.212 1.224) 1.243 6.461 ( 0.000 0.937 -0.500) 1.062 6.517 ( 0.000 4.993 0.605) 5.029 6.590 ( 0.000 6.507 1.841) 6.762 7.150 ( -0.000 -2.626 -0.228) 2.635 8.661 ( 0.000 52.699 -5.828) 53.020 12.779 ( -0.000 -9.248 0.198) 9.250 13.004 ( -0.000 -1.652 -0.291) 1.678 27.829 ( -0.000 -7.303 0.411) 7.315 31.467 ( -0.000 -10.173 2.127) 10.393 ======================= Grid point 1111 (280/288) ======================= q-point: ( 0.57 0.50 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.394 ( -2.534 -5.899 -2.879) 7.036 1.380 ( 8.374 19.555 -1.116) 21.302 2.503 ( 11.576 35.794 1.156) 37.638 2.896 ( 3.979 6.887 -0.373) 7.963 3.813 ( -9.478 -10.447 -2.021) 14.250 4.374 ( 5.868 3.581 0.746) 6.914 6.455 ( -0.626 1.118 -0.404) 1.344 6.613 ( 4.431 4.165 -0.016) 6.081 6.665 ( 0.093 6.863 1.091) 6.950 7.087 ( -3.297 -4.007 -0.126) 5.190 9.280 ( 16.695 40.049 -2.972) 43.491 12.565 ( -11.609 -12.134 0.128) 16.793 13.073 ( 7.009 2.915 -0.241) 7.595 27.737 ( -2.324 -6.738 0.257) 7.132 31.338 ( -3.698 -10.517 1.324) 11.227 ======================= Grid point 1112 (281/288) ======================= q-point: ( 0.64 0.50 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.298 ( -0.997 -1.726 -0.000) 1.994 1.750 ( 11.517 19.948 -0.000) 23.034 2.999 ( 2.764 4.788 -0.000) 5.528 3.050 ( 13.787 23.879 -0.000) 27.574 3.533 ( -7.594 -13.152 -0.000) 15.187 4.551 ( 6.158 10.666 -0.000) 12.317 6.465 ( 0.607 1.052 -0.000) 1.215 6.730 ( 2.508 4.344 0.000) 5.016 6.739 ( 2.940 5.092 -0.000) 5.880 6.965 ( -4.195 -7.266 -0.000) 8.390 9.850 ( 12.085 20.933 -0.000) 24.171 12.205 ( -10.856 -18.803 -0.000) 21.712 13.275 ( 7.266 12.585 -0.000) 14.532 27.633 ( -2.886 -4.998 -0.000) 5.771 31.156 ( -5.801 -10.048 -0.000) 11.602 ======================= Grid point 1126 (282/288) ======================= q-point: ( 0.57 0.57 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.333 ( 0.000 -6.996 -4.815) 8.493 1.482 ( 0.000 19.368 -2.569) 19.538 2.781 ( 0.000 35.134 1.944) 35.187 2.895 ( 0.000 1.064 -1.065) 1.506 3.848 ( 0.000 -1.691 -3.248) 3.662 4.335 ( -0.000 1.317 4.969) 5.140 6.463 ( 0.000 0.588 -2.648) 2.713 6.622 ( 0.000 5.035 0.585) 5.069 6.742 ( 0.000 7.437 1.121) 7.521 7.087 ( -0.000 -3.257 -0.499) 3.295 9.481 ( 0.000 28.951 0.128) 28.951 12.663 ( -0.000 -0.645 0.658) 0.921 12.950 ( -0.000 -3.601 -0.191) 3.606 27.690 ( -0.000 -6.640 0.088) 6.640 31.262 ( -0.000 -11.404 -0.276) 11.407 ======================= Grid point 1300 (283/288) ======================= q-point: ( 0.43 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.600 ( -0.000 0.000 2.683) 2.683 0.600 ( -0.000 0.000 2.683) 2.683 0.605 ( -0.000 0.000 2.233) 2.233 2.510 ( 0.000 -0.000 -0.241) 0.241 4.316 ( 0.000 -0.000 -3.197) 3.197 4.316 ( 0.000 -0.000 -3.197) 3.197 6.360 ( -0.000 0.000 0.060) 0.060 6.427 ( -0.000 0.000 1.798) 1.798 6.427 ( -0.000 0.000 1.798) 1.798 7.203 ( -0.000 -0.000 0.093) 0.093 7.203 ( -0.000 0.000 0.093) 0.093 13.024 ( 0.000 -0.000 0.003) 0.003 13.024 ( -0.000 0.000 0.003) 0.003 28.008 ( -0.000 0.000 0.018) 0.018 31.700 ( 0.000 -0.000 -0.091) 0.091 ======================= Grid point 1301 (284/288) ======================= q-point: ( 0.50 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.575 ( -3.245 -1.873 1.206) 3.936 0.744 ( 11.583 6.687 3.515) 13.829 1.172 ( 36.152 20.873 -0.452) 41.748 2.588 ( 6.601 3.811 -0.178) 7.624 4.197 ( -8.211 -4.741 -0.427) 9.491 4.324 ( 1.049 0.606 -3.895) 4.079 6.411 ( 4.068 2.348 0.416) 4.715 6.429 ( -0.041 -0.024 2.097) 2.097 6.506 ( 4.409 2.546 -0.155) 5.094 7.186 ( -1.399 -0.808 0.326) 1.648 7.654 ( 37.149 21.448 -2.804) 42.987 12.955 ( -5.860 -3.383 -0.237) 6.771 13.019 ( -0.444 -0.257 0.171) 0.541 27.956 ( -4.329 -2.500 0.156) 5.002 31.635 ( -5.513 -3.183 0.737) 6.408 ======================= Grid point 1302 (285/288) ======================= q-point: ( 0.57 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.471 ( -5.938 -3.428 0.507) 6.875 1.088 ( 16.285 9.402 3.172) 19.070 2.013 ( 36.483 21.063 -1.300) 42.147 2.773 ( 8.423 4.863 -0.117) 9.726 3.982 ( -9.702 -5.601 2.214) 11.419 4.330 ( 1.087 0.627 -4.536) 4.706 6.442 ( 0.315 0.182 2.401) 2.428 6.521 ( 4.831 2.789 0.099) 5.579 6.609 ( 5.312 3.067 -1.122) 6.236 7.145 ( -2.350 -1.357 0.514) 2.762 8.644 ( 45.426 26.227 -3.099) 52.545 12.784 ( -7.939 -4.584 -0.585) 9.186 13.000 ( -1.429 -0.825 0.239) 1.667 27.830 ( -6.281 -3.627 0.173) 7.255 31.473 ( -8.689 -5.016 1.147) 10.098 ======================= Grid point 1316 (286/288) ======================= q-point: ( 0.50 0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.579 ( -0.000 -3.754 0.525) 3.791 0.777 ( 0.000 14.100 -1.454) 14.175 1.157 ( 0.000 41.401 1.885) 41.444 2.588 ( 0.000 7.598 -0.070) 7.599 4.212 ( 0.000 -8.379 -2.834) 8.845 4.294 ( -0.000 0.068 0.696) 0.699 6.413 ( 0.000 4.853 -0.006) 4.853 6.445 ( 0.000 0.539 -0.274) 0.604 6.496 ( -0.000 4.378 1.479) 4.621 7.190 ( -0.000 -1.458 -0.178) 1.469 7.643 ( 0.000 42.152 -1.166) 42.168 12.952 ( -0.000 -6.932 0.210) 6.935 13.021 ( 0.000 -0.423 -0.197) 0.467 27.956 ( -0.000 -4.965 0.086) 4.965 31.637 ( -0.000 -6.124 0.348) 6.134 ======================= Grid point 1317 (287/288) ======================= q-point: ( 0.57 0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.508 ( -3.020 -5.232 -0.000) 6.041 1.013 ( 9.505 16.463 -0.000) 19.010 1.776 ( 21.197 36.714 -0.000) 42.394 2.722 ( 5.209 9.022 -0.000) 10.418 4.038 ( -6.559 -11.361 -0.000) 13.119 4.321 ( 1.168 2.024 -0.000) 2.337 6.438 ( 0.312 0.540 -0.000) 0.623 6.512 ( 3.321 5.752 -0.000) 6.642 6.562 ( 2.201 3.812 -0.000) 4.402 7.154 ( -1.562 -2.706 -0.000) 3.124 8.363 ( 27.191 47.095 -0.000) 54.381 12.806 ( -6.277 -10.873 -0.000) 12.555 13.033 ( 0.773 1.339 -0.000) 1.546 27.868 ( -3.478 -6.025 -0.000) 6.957 31.526 ( -4.581 -7.934 -0.000) 9.162 ======================= Grid point 1527 (288/288) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.16e-06 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.618 ( -0.000 0.000 0.000) 0.000 0.618 ( -0.000 0.000 0.000) 0.000 0.619 ( -0.000 0.000 0.000) 0.000 2.508 ( -0.000 0.000 0.000) 0.000 4.295 ( -0.000 0.000 0.000) 0.000 4.295 ( -0.000 0.000 0.000) 0.000 6.361 ( -0.000 0.000 0.000) 0.000 6.439 ( -0.000 0.000 0.000) 0.000 6.439 ( -0.000 0.000 0.000) 0.000 7.204 ( -0.000 0.000 0.000) 0.000 7.204 ( -0.000 0.000 0.000) 0.000 13.024 ( -0.000 0.000 0.000) 0.000 13.024 ( -0.000 0.000 0.000) 0.000 28.008 ( -0.000 0.000 0.000) 0.000 31.700 ( -0.000 0.000 0.000) 0.000 =================== 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 3/41160 10.0 -3.528 -3.528 -2.240 -0.000 0.000 -0.000 3/41160 20.0 11.847 11.847 2.087 0.000 -0.000 0.000 3/41160 30.0 11.418 11.418 1.494 0.000 -0.000 0.000 3/41160 40.0 10.364 10.364 1.173 0.000 -0.000 0.000 3/41160 50.0 9.245 9.245 0.983 0.000 -0.000 0.000 3/41160 60.0 8.246 8.246 0.863 0.000 -0.000 0.000 3/41160 70.0 7.405 7.405 0.784 0.000 -0.000 0.000 3/41160 80.0 6.712 6.712 0.732 0.000 -0.000 0.000 3/41160 90.0 6.141 6.141 0.696 0.000 -0.000 0.000 3/41160 100.0 5.667 5.667 0.670 0.000 -0.000 0.000 3/41160 110.0 5.268 5.268 0.649 0.000 -0.000 0.000 3/41160 120.0 4.928 4.928 0.632 0.000 -0.000 0.000 3/41160 130.0 4.635 4.635 0.617 0.000 -0.000 0.000 3/41160 140.0 4.378 4.378 0.604 0.000 -0.000 0.000 3/41160 150.0 4.150 4.150 0.592 0.000 -0.000 0.000 3/41160 160.0 3.947 3.947 0.582 0.000 -0.000 0.000 3/41160 170.0 3.765 3.765 0.573 0.000 -0.000 0.000 3/41160 180.0 3.600 3.600 0.566 0.000 -0.000 0.000 3/41160 190.0 3.450 3.450 0.562 0.000 -0.000 0.000 3/41160 200.0 3.312 3.312 0.559 0.000 -0.000 0.000 3/41160 210.0 3.187 3.187 0.558 0.000 -0.000 0.000 3/41160 220.0 3.071 3.071 0.558 0.000 -0.000 0.000 3/41160 230.0 2.964 2.964 0.560 0.000 -0.000 0.000 3/41160 240.0 2.865 2.865 0.564 0.000 -0.000 0.000 3/41160 250.0 2.772 2.772 0.568 0.000 -0.000 0.000 3/41160 260.0 2.687 2.687 0.574 0.000 -0.000 0.000 3/41160 270.0 2.607 2.607 0.580 0.000 -0.000 0.000 3/41160 280.0 2.532 2.532 0.587 0.000 -0.000 0.000 3/41160 290.0 2.462 2.462 0.595 0.000 -0.000 0.000 3/41160 300.0 2.396 2.396 0.603 0.000 -0.000 0.000 3/41160 310.0 2.333 2.333 0.610 0.000 -0.000 0.000 3/41160 320.0 2.275 2.275 0.618 0.000 -0.000 0.000 3/41160 330.0 2.219 2.219 0.626 0.000 -0.000 0.000 3/41160 340.0 2.167 2.167 0.634 0.000 -0.000 0.000 3/41160 350.0 2.117 2.117 0.641 0.000 -0.000 0.000 3/41160 360.0 2.069 2.069 0.649 0.000 -0.000 0.000 3/41160 370.0 2.024 2.024 0.656 0.000 -0.000 0.000 3/41160 380.0 1.981 1.981 0.662 0.000 -0.000 0.000 3/41160 390.0 1.940 1.940 0.668 0.000 -0.000 0.000 3/41160 400.0 1.901 1.901 0.674 0.000 -0.000 0.000 3/41160 410.0 1.863 1.863 0.680 0.000 -0.000 0.000 3/41160 420.0 1.827 1.827 0.685 0.000 -0.000 0.000 3/41160 430.0 1.793 1.793 0.689 0.000 -0.000 0.000 3/41160 440.0 1.760 1.760 0.693 0.000 -0.000 0.000 3/41160 450.0 1.728 1.728 0.697 0.000 -0.000 0.000 3/41160 460.0 1.697 1.697 0.701 0.000 -0.000 0.000 3/41160 470.0 1.667 1.667 0.704 0.000 -0.000 0.000 3/41160 480.0 1.639 1.639 0.706 0.000 -0.000 0.000 3/41160 490.0 1.611 1.611 0.709 0.000 -0.000 0.000 3/41160 500.0 1.585 1.585 0.711 0.000 -0.000 0.000 3/41160 510.0 1.559 1.559 0.712 0.000 -0.000 0.000 3/41160 520.0 1.534 1.534 0.714 0.000 -0.000 0.000 3/41160 530.0 1.510 1.510 0.715 0.000 -0.000 0.000 3/41160 540.0 1.487 1.487 0.716 0.000 -0.000 0.000 3/41160 550.0 1.465 1.465 0.716 0.000 -0.000 0.000 3/41160 560.0 1.443 1.443 0.716 0.000 -0.000 0.000 3/41160 570.0 1.421 1.421 0.716 0.000 -0.000 0.000 3/41160 580.0 1.401 1.401 0.716 0.000 -0.000 0.000 3/41160 590.0 1.381 1.381 0.716 0.000 -0.000 0.000 3/41160 600.0 1.361 1.361 0.715 0.000 -0.000 0.000 3/41160 610.0 1.343 1.343 0.714 0.000 -0.000 0.000 3/41160 620.0 1.324 1.324 0.713 0.000 -0.000 0.000 3/41160 630.0 1.306 1.306 0.712 0.000 -0.000 0.000 3/41160 640.0 1.289 1.289 0.711 0.000 -0.000 0.000 3/41160 650.0 1.272 1.272 0.710 0.000 -0.000 0.000 3/41160 660.0 1.256 1.256 0.708 0.000 -0.000 0.000 3/41160 670.0 1.240 1.240 0.706 0.000 -0.000 0.000 3/41160 680.0 1.224 1.224 0.705 0.000 -0.000 0.000 3/41160 690.0 1.209 1.209 0.703 0.000 -0.000 0.000 3/41160 700.0 1.194 1.194 0.701 0.000 -0.000 0.000 3/41160 710.0 1.179 1.179 0.698 0.000 -0.000 0.000 3/41160 720.0 1.165 1.165 0.696 0.000 -0.000 0.000 3/41160 730.0 1.151 1.151 0.694 0.000 -0.000 0.000 3/41160 740.0 1.138 1.138 0.692 0.000 -0.000 0.000 3/41160 750.0 1.125 1.125 0.689 0.000 -0.000 0.000 3/41160 760.0 1.112 1.112 0.687 0.000 -0.000 0.000 3/41160 770.0 1.099 1.099 0.684 0.000 -0.000 0.000 3/41160 780.0 1.087 1.087 0.682 0.000 -0.000 0.000 3/41160 790.0 1.075 1.075 0.679 0.000 -0.000 0.000 3/41160 800.0 1.063 1.063 0.676 0.000 -0.000 0.000 3/41160 810.0 1.052 1.052 0.674 0.000 -0.000 0.000 3/41160 820.0 1.040 1.040 0.671 0.000 -0.000 0.000 3/41160 830.0 1.029 1.029 0.668 0.000 -0.000 0.000 3/41160 840.0 1.018 1.018 0.665 0.000 -0.000 0.000 3/41160 850.0 1.008 1.008 0.662 0.000 -0.000 0.000 3/41160 860.0 0.997 0.997 0.660 0.000 -0.000 0.000 3/41160 870.0 0.987 0.987 0.657 0.000 -0.000 0.000 3/41160 880.0 0.977 0.977 0.654 0.000 -0.000 0.000 3/41160 890.0 0.968 0.968 0.651 0.000 -0.000 0.000 3/41160 900.0 0.958 0.958 0.648 0.000 -0.000 0.000 3/41160 910.0 0.949 0.949 0.645 0.000 -0.000 0.000 3/41160 920.0 0.939 0.939 0.642 0.000 -0.000 0.000 3/41160 930.0 0.930 0.930 0.639 0.000 -0.000 0.000 3/41160 940.0 0.922 0.922 0.636 0.000 -0.000 0.000 3/41160 950.0 0.913 0.913 0.633 0.000 -0.000 0.000 3/41160 960.0 0.904 0.904 0.630 0.000 -0.000 0.000 3/41160 970.0 0.896 0.896 0.627 0.000 -0.000 0.000 3/41160 980.0 0.888 0.888 0.624 0.000 -0.000 0.000 3/41160 990.0 0.880 0.880 0.622 0.000 -0.000 0.000 3/41160 1000.0 0.872 0.872 0.619 0.000 -0.000 0.000 3/41160 Thermal conductivity related properties were written into "kappa-m141414.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 06:43:21]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|