----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 18:50:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [4 4 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R3m (160) Number of symmetry operations in supercell: 288 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.569908814195247 0.906387276478790 6.226284743333326 b -1.569908814195244 0.906387276478790 6.226284743333326 c 0.000000000000002 -1.812774552957583 6.226284743333326 Atomic positions (fractional): *1 S 0.41647397281669 0.41647397281669 0.41647397281669 32.065 *2 S 0.24975887791197 0.24975887791197 0.24975887791197 32.065 *3 Mo 0.99976713260469 0.99976713260469 0.99976713260469 95.960 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.139817628390491 0.000000000000000 0.000000000000000 b -1.569908814195246 2.719161829436374 0.000000000000000 c 0.000000000000000 0.000000000000000 18.678854229999999 Atomic positions (fractional): *1 S 0.66666666666667 0.33333333333333 0.74980730615002 32.065 > 1 *2 S 0.33333333333333 0.66666666666667 0.91642554457863 32.065 > 2 3 S 0.33333333333333 0.66666666666667 0.08314063948335 32.065 > 1 4 S 0.00000000000000 0.00000000000000 0.24975887791197 32.065 > 2 5 S 0.00000000000000 0.00000000000000 0.41647397281669 32.065 > 1 6 S 0.66666666666667 0.33333333333333 0.58309221124530 32.065 > 2 *7 Mo 0.00000000000000 0.00000000000000 0.99976713260469 95.960 > 3 8 Mo 0.66666666666667 0.33333333333333 0.33310046593802 95.960 > 3 9 Mo 0.33333333333333 0.66666666666667 0.66643379927136 95.960 > 3 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.559270513561964 0.000000000000000 0.000000000000000 b -6.279635256780984 10.876647317745496 0.000000000000000 c 0.000000000000000 0.000000000000000 18.678854229999999 Atomic positions (fractional): *1 S 0.16666666666667 0.08333333333333 0.74980730615002 32.065 > 1 2 S 0.41666666666667 0.08333333333333 0.74980730615002 32.065 > 1 3 S 0.66666666666667 0.08333333333333 0.74980730615002 32.065 > 1 4 S 0.91666666666667 0.08333333333333 0.74980730615002 32.065 > 1 5 S 0.16666666666667 0.33333333333333 0.74980730615002 32.065 > 1 6 S 0.41666666666667 0.33333333333333 0.74980730615002 32.065 > 1 7 S 0.66666666666667 0.33333333333333 0.74980730615002 32.065 > 1 8 S 0.91666666666667 0.33333333333333 0.74980730615002 32.065 > 1 9 S 0.16666666666667 0.58333333333333 0.74980730615002 32.065 > 1 10 S 0.41666666666667 0.58333333333333 0.74980730615002 32.065 > 1 11 S 0.66666666666667 0.58333333333333 0.74980730615002 32.065 > 1 12 S 0.91666666666667 0.58333333333333 0.74980730615002 32.065 > 1 13 S 0.16666666666667 0.83333333333333 0.74980730615002 32.065 > 1 14 S 0.41666666666667 0.83333333333333 0.74980730615002 32.065 > 1 15 S 0.66666666666667 0.83333333333333 0.74980730615002 32.065 > 1 16 S 0.91666666666667 0.83333333333333 0.74980730615002 32.065 > 1 *17 S 0.08333333333333 0.16666666666667 0.91642554457863 32.065 > 2 18 S 0.33333333333333 0.16666666666667 0.91642554457863 32.065 > 2 19 S 0.58333333333333 0.16666666666667 0.91642554457863 32.065 > 2 20 S 0.83333333333333 0.16666666666667 0.91642554457863 32.065 > 2 21 S 0.08333333333333 0.41666666666667 0.91642554457863 32.065 > 2 22 S 0.33333333333333 0.41666666666667 0.91642554457863 32.065 > 2 23 S 0.58333333333333 0.41666666666667 0.91642554457863 32.065 > 2 24 S 0.83333333333333 0.41666666666667 0.91642554457863 32.065 > 2 25 S 0.08333333333333 0.66666666666667 0.91642554457863 32.065 > 2 26 S 0.33333333333333 0.66666666666667 0.91642554457863 32.065 > 2 27 S 0.58333333333333 0.66666666666667 0.91642554457863 32.065 > 2 28 S 0.83333333333333 0.66666666666667 0.91642554457863 32.065 > 2 29 S 0.08333333333333 0.91666666666667 0.91642554457863 32.065 > 2 30 S 0.33333333333333 0.91666666666667 0.91642554457863 32.065 > 2 31 S 0.58333333333333 0.91666666666667 0.91642554457863 32.065 > 2 32 S 0.83333333333333 0.91666666666667 0.91642554457863 32.065 > 2 33 S 0.08333333333333 0.16666666666667 0.08314063948335 32.065 > 1 34 S 0.33333333333333 0.16666666666667 0.08314063948335 32.065 > 1 35 S 0.58333333333333 0.16666666666667 0.08314063948335 32.065 > 1 36 S 0.83333333333333 0.16666666666667 0.08314063948335 32.065 > 1 37 S 0.08333333333333 0.41666666666667 0.08314063948335 32.065 > 1 38 S 0.33333333333333 0.41666666666667 0.08314063948335 32.065 > 1 39 S 0.58333333333333 0.41666666666667 0.08314063948335 32.065 > 1 40 S 0.83333333333333 0.41666666666667 0.08314063948335 32.065 > 1 41 S 0.08333333333333 0.66666666666667 0.08314063948335 32.065 > 1 42 S 0.33333333333333 0.66666666666667 0.08314063948335 32.065 > 1 43 S 0.58333333333333 0.66666666666667 0.08314063948335 32.065 > 1 44 S 0.83333333333333 0.66666666666667 0.08314063948335 32.065 > 1 45 S 0.08333333333333 0.91666666666667 0.08314063948335 32.065 > 1 46 S 0.33333333333333 0.91666666666667 0.08314063948335 32.065 > 1 47 S 0.58333333333333 0.91666666666667 0.08314063948335 32.065 > 1 48 S 0.83333333333333 0.91666666666667 0.08314063948335 32.065 > 1 49 S 0.00000000000000 0.00000000000000 0.24975887791197 32.065 > 2 50 S 0.25000000000000 0.00000000000000 0.24975887791197 32.065 > 2 51 S 0.50000000000000 0.00000000000000 0.24975887791197 32.065 > 2 52 S 0.75000000000000 0.00000000000000 0.24975887791197 32.065 > 2 53 S 0.00000000000000 0.25000000000000 0.24975887791197 32.065 > 2 54 S 0.25000000000000 0.25000000000000 0.24975887791197 32.065 > 2 55 S 0.50000000000000 0.25000000000000 0.24975887791197 32.065 > 2 56 S 0.75000000000000 0.25000000000000 0.24975887791197 32.065 > 2 57 S 0.00000000000000 0.50000000000000 0.24975887791197 32.065 > 2 58 S 0.25000000000000 0.50000000000000 0.24975887791197 32.065 > 2 59 S 0.50000000000000 0.50000000000000 0.24975887791197 32.065 > 2 60 S 0.75000000000000 0.50000000000000 0.24975887791197 32.065 > 2 61 S 0.00000000000000 0.75000000000000 0.24975887791197 32.065 > 2 62 S 0.25000000000000 0.75000000000000 0.24975887791197 32.065 > 2 63 S 0.50000000000000 0.75000000000000 0.24975887791197 32.065 > 2 64 S 0.75000000000000 0.75000000000000 0.24975887791197 32.065 > 2 65 S 0.00000000000000 0.00000000000000 0.41647397281669 32.065 > 1 66 S 0.25000000000000 0.00000000000000 0.41647397281669 32.065 > 1 67 S 0.50000000000000 0.00000000000000 0.41647397281669 32.065 > 1 68 S 0.75000000000000 0.00000000000000 0.41647397281669 32.065 > 1 69 S 0.00000000000000 0.25000000000000 0.41647397281669 32.065 > 1 70 S 0.25000000000000 0.25000000000000 0.41647397281669 32.065 > 1 71 S 0.50000000000000 0.25000000000000 0.41647397281669 32.065 > 1 72 S 0.75000000000000 0.25000000000000 0.41647397281669 32.065 > 1 73 S 0.00000000000000 0.50000000000000 0.41647397281669 32.065 > 1 74 S 0.25000000000000 0.50000000000000 0.41647397281669 32.065 > 1 75 S 0.50000000000000 0.50000000000000 0.41647397281669 32.065 > 1 76 S 0.75000000000000 0.50000000000000 0.41647397281669 32.065 > 1 77 S 0.00000000000000 0.75000000000000 0.41647397281669 32.065 > 1 78 S 0.25000000000000 0.75000000000000 0.41647397281669 32.065 > 1 79 S 0.50000000000000 0.75000000000000 0.41647397281669 32.065 > 1 80 S 0.75000000000000 0.75000000000000 0.41647397281669 32.065 > 1 81 S 0.16666666666667 0.08333333333333 0.58309221124530 32.065 > 2 82 S 0.41666666666667 0.08333333333333 0.58309221124530 32.065 > 2 83 S 0.66666666666667 0.08333333333333 0.58309221124530 32.065 > 2 84 S 0.91666666666667 0.08333333333333 0.58309221124530 32.065 > 2 85 S 0.16666666666667 0.33333333333333 0.58309221124530 32.065 > 2 86 S 0.41666666666667 0.33333333333333 0.58309221124530 32.065 > 2 87 S 0.66666666666667 0.33333333333333 0.58309221124530 32.065 > 2 88 S 0.91666666666667 0.33333333333333 0.58309221124530 32.065 > 2 89 S 0.16666666666667 0.58333333333333 0.58309221124530 32.065 > 2 90 S 0.41666666666667 0.58333333333333 0.58309221124530 32.065 > 2 91 S 0.66666666666667 0.58333333333333 0.58309221124530 32.065 > 2 92 S 0.91666666666667 0.58333333333333 0.58309221124530 32.065 > 2 93 S 0.16666666666667 0.83333333333333 0.58309221124530 32.065 > 2 94 S 0.41666666666667 0.83333333333333 0.58309221124530 32.065 > 2 95 S 0.66666666666667 0.83333333333333 0.58309221124530 32.065 > 2 96 S 0.91666666666667 0.83333333333333 0.58309221124530 32.065 > 2 *97 Mo 0.00000000000000 0.00000000000000 0.99976713260469 95.960 > 3 98 Mo 0.25000000000000 0.00000000000000 0.99976713260469 95.960 > 3 99 Mo 0.50000000000000 0.00000000000000 0.99976713260469 95.960 > 3 100 Mo 0.75000000000000 0.00000000000000 0.99976713260469 95.960 > 3 101 Mo 0.00000000000000 0.25000000000000 0.99976713260469 95.960 > 3 102 Mo 0.25000000000000 0.25000000000000 0.99976713260469 95.960 > 3 103 Mo 0.50000000000000 0.25000000000000 0.99976713260469 95.960 > 3 104 Mo 0.75000000000000 0.25000000000000 0.99976713260469 95.960 > 3 105 Mo 0.00000000000000 0.50000000000000 0.99976713260469 95.960 > 3 106 Mo 0.25000000000000 0.50000000000000 0.99976713260469 95.960 > 3 107 Mo 0.50000000000000 0.50000000000000 0.99976713260469 95.960 > 3 108 Mo 0.75000000000000 0.50000000000000 0.99976713260469 95.960 > 3 109 Mo 0.00000000000000 0.75000000000000 0.99976713260469 95.960 > 3 110 Mo 0.25000000000000 0.75000000000000 0.99976713260469 95.960 > 3 111 Mo 0.50000000000000 0.75000000000000 0.99976713260469 95.960 > 3 112 Mo 0.75000000000000 0.75000000000000 0.99976713260469 95.960 > 3 113 Mo 0.16666666666667 0.08333333333333 0.33310046593802 95.960 > 3 114 Mo 0.41666666666667 0.08333333333333 0.33310046593802 95.960 > 3 115 Mo 0.66666666666667 0.08333333333333 0.33310046593802 95.960 > 3 116 Mo 0.91666666666667 0.08333333333333 0.33310046593802 95.960 > 3 117 Mo 0.16666666666667 0.33333333333333 0.33310046593802 95.960 > 3 118 Mo 0.41666666666667 0.33333333333333 0.33310046593802 95.960 > 3 119 Mo 0.66666666666667 0.33333333333333 0.33310046593802 95.960 > 3 120 Mo 0.91666666666667 0.33333333333333 0.33310046593802 95.960 > 3 121 Mo 0.16666666666667 0.58333333333333 0.33310046593802 95.960 > 3 122 Mo 0.41666666666667 0.58333333333333 0.33310046593802 95.960 > 3 123 Mo 0.66666666666667 0.58333333333333 0.33310046593802 95.960 > 3 124 Mo 0.91666666666667 0.58333333333333 0.33310046593802 95.960 > 3 125 Mo 0.16666666666667 0.83333333333333 0.33310046593802 95.960 > 3 126 Mo 0.41666666666667 0.83333333333333 0.33310046593802 95.960 > 3 127 Mo 0.66666666666667 0.83333333333333 0.33310046593802 95.960 > 3 128 Mo 0.91666666666667 0.83333333333333 0.33310046593802 95.960 > 3 129 Mo 0.08333333333333 0.16666666666667 0.66643379927136 95.960 > 3 130 Mo 0.33333333333333 0.16666666666667 0.66643379927136 95.960 > 3 131 Mo 0.58333333333333 0.16666666666667 0.66643379927136 95.960 > 3 132 Mo 0.83333333333333 0.16666666666667 0.66643379927136 95.960 > 3 133 Mo 0.08333333333333 0.41666666666667 0.66643379927136 95.960 > 3 134 Mo 0.33333333333333 0.41666666666667 0.66643379927136 95.960 > 3 135 Mo 0.58333333333333 0.41666666666667 0.66643379927136 95.960 > 3 136 Mo 0.83333333333333 0.41666666666667 0.66643379927136 95.960 > 3 137 Mo 0.08333333333333 0.66666666666667 0.66643379927136 95.960 > 3 138 Mo 0.33333333333333 0.66666666666667 0.66643379927136 95.960 > 3 139 Mo 0.58333333333333 0.66666666666667 0.66643379927136 95.960 > 3 140 Mo 0.83333333333333 0.66666666666667 0.66643379927136 95.960 > 3 141 Mo 0.08333333333333 0.91666666666667 0.66643379927136 95.960 > 3 142 Mo 0.33333333333333 0.91666666666667 0.66643379927136 95.960 > 3 143 Mo 0.58333333333333 0.91666666666667 0.66643379927136 95.960 > 3 144 Mo 0.83333333333333 0.91666666666667 0.66643379927136 95.960 > 3 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 14.6636416 0.0000000 0.0000000 0.0000000 14.6636416 0.0000000 0.0000000 0.0000000 6.3477796 -------------------------- Born effective charges -------------------------- 1 S 0.5251073 0.0000000 0.0000000 0.0000000 0.5251073 0.0000000 0.0000000 0.0000000 0.2934954 2 S 0.5359183 0.0000000 0.0000000 -0.0000000 0.5359183 0.0000000 0.0000000 0.0000000 0.3646428 3 Mo -1.0610256 -0.0000000 0.0000000 0.0000000 -1.0610256 0.0000000 0.0000000 0.0000000 -0.6581382 ---------------------------------------------------------------------------- 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: 432/432 Permutation basis: 2862/2862 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 363 Number of blocks in projector: 279 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: 156 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 135 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 72 Use standard eigh solver. Tree of FC basis block matrices: - (363, 357), data: False |-- (72, 69), data: True |-- (135, 135), data: True |-- (156, 153), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.025 Solver_block: 80 / 80 - Time: 0.286 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.313 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 432/432 Permutation basis: 2862/2862 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 363 Number of blocks in projector: 279 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: 156 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 135 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 72 Use standard eigh solver. Tree of FC basis block matrices: - (363, 357), data: False |-- (72, 69), data: True |-- (135, 135), data: True |-- (156, 153), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 18:50:09]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 18:50:09]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [4 4 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R3m (160) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.569908814195247 0.906387276478790 6.226284743333326 b -1.569908814195244 0.906387276478790 6.226284743333326 c 0.000000000000002 -1.812774552957583 6.226284743333326 Atomic positions (fractional): 1 S 0.41647397281669 0.41647397281669 0.41647397281669 32.065 2 S 0.24975887791197 0.24975887791197 0.24975887791197 32.065 3 Mo 0.99976713260469 0.99976713260469 0.99976713260469 95.960 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.559270513561964 0.000000000000000 0.000000000000000 b -6.279635256780984 10.876647317745496 0.000000000000000 c 0.000000000000000 0.000000000000000 18.678854229999999 Atomic positions (fractional): 1 S 0.16666666666667 0.08333333333333 0.74980730615002 32.065 > 1 2 S 0.41666666666667 0.08333333333333 0.74980730615002 32.065 > 1 3 S 0.66666666666667 0.08333333333333 0.74980730615002 32.065 > 1 4 S 0.91666666666667 0.08333333333333 0.74980730615002 32.065 > 1 5 S 0.16666666666667 0.33333333333333 0.74980730615002 32.065 > 1 6 S 0.41666666666667 0.33333333333333 0.74980730615002 32.065 > 1 7 S 0.66666666666667 0.33333333333333 0.74980730615002 32.065 > 1 8 S 0.91666666666667 0.33333333333333 0.74980730615002 32.065 > 1 9 S 0.16666666666667 0.58333333333333 0.74980730615002 32.065 > 1 10 S 0.41666666666667 0.58333333333333 0.74980730615002 32.065 > 1 11 S 0.66666666666667 0.58333333333333 0.74980730615002 32.065 > 1 12 S 0.91666666666667 0.58333333333333 0.74980730615002 32.065 > 1 13 S 0.16666666666667 0.83333333333333 0.74980730615002 32.065 > 1 14 S 0.41666666666667 0.83333333333333 0.74980730615002 32.065 > 1 15 S 0.66666666666667 0.83333333333333 0.74980730615002 32.065 > 1 16 S 0.91666666666667 0.83333333333333 0.74980730615002 32.065 > 1 17 S 0.08333333333333 0.16666666666667 0.91642554457863 32.065 > 17 18 S 0.33333333333333 0.16666666666667 0.91642554457863 32.065 > 17 19 S 0.58333333333333 0.16666666666667 0.91642554457863 32.065 > 17 20 S 0.83333333333333 0.16666666666667 0.91642554457863 32.065 > 17 21 S 0.08333333333333 0.41666666666667 0.91642554457863 32.065 > 17 22 S 0.33333333333333 0.41666666666667 0.91642554457863 32.065 > 17 23 S 0.58333333333333 0.41666666666667 0.91642554457863 32.065 > 17 24 S 0.83333333333333 0.41666666666667 0.91642554457863 32.065 > 17 25 S 0.08333333333333 0.66666666666667 0.91642554457863 32.065 > 17 26 S 0.33333333333333 0.66666666666667 0.91642554457863 32.065 > 17 27 S 0.58333333333333 0.66666666666667 0.91642554457863 32.065 > 17 28 S 0.83333333333333 0.66666666666667 0.91642554457863 32.065 > 17 29 S 0.08333333333333 0.91666666666667 0.91642554457863 32.065 > 17 30 S 0.33333333333333 0.91666666666667 0.91642554457863 32.065 > 17 31 S 0.58333333333333 0.91666666666667 0.91642554457863 32.065 > 17 32 S 0.83333333333333 0.91666666666667 0.91642554457863 32.065 > 17 33 S 0.08333333333333 0.16666666666667 0.08314063948335 32.065 > 1 34 S 0.33333333333333 0.16666666666667 0.08314063948335 32.065 > 1 35 S 0.58333333333333 0.16666666666667 0.08314063948335 32.065 > 1 36 S 0.83333333333333 0.16666666666667 0.08314063948335 32.065 > 1 37 S 0.08333333333333 0.41666666666667 0.08314063948335 32.065 > 1 38 S 0.33333333333333 0.41666666666667 0.08314063948335 32.065 > 1 39 S 0.58333333333333 0.41666666666667 0.08314063948335 32.065 > 1 40 S 0.83333333333333 0.41666666666667 0.08314063948335 32.065 > 1 41 S 0.08333333333333 0.66666666666667 0.08314063948335 32.065 > 1 42 S 0.33333333333333 0.66666666666667 0.08314063948335 32.065 > 1 43 S 0.58333333333333 0.66666666666667 0.08314063948335 32.065 > 1 44 S 0.83333333333333 0.66666666666667 0.08314063948335 32.065 > 1 45 S 0.08333333333333 0.91666666666667 0.08314063948335 32.065 > 1 46 S 0.33333333333333 0.91666666666667 0.08314063948335 32.065 > 1 47 S 0.58333333333333 0.91666666666667 0.08314063948335 32.065 > 1 48 S 0.83333333333333 0.91666666666667 0.08314063948335 32.065 > 1 49 S 0.00000000000000 0.00000000000000 0.24975887791197 32.065 > 17 50 S 0.25000000000000 0.00000000000000 0.24975887791197 32.065 > 17 51 S 0.50000000000000 0.00000000000000 0.24975887791197 32.065 > 17 52 S 0.75000000000000 0.00000000000000 0.24975887791197 32.065 > 17 53 S 0.00000000000000 0.25000000000000 0.24975887791197 32.065 > 17 54 S 0.25000000000000 0.25000000000000 0.24975887791197 32.065 > 17 55 S 0.50000000000000 0.25000000000000 0.24975887791197 32.065 > 17 56 S 0.75000000000000 0.25000000000000 0.24975887791197 32.065 > 17 57 S 0.00000000000000 0.50000000000000 0.24975887791197 32.065 > 17 58 S 0.25000000000000 0.50000000000000 0.24975887791197 32.065 > 17 59 S 0.50000000000000 0.50000000000000 0.24975887791197 32.065 > 17 60 S 0.75000000000000 0.50000000000000 0.24975887791197 32.065 > 17 61 S 0.00000000000000 0.75000000000000 0.24975887791197 32.065 > 17 62 S 0.25000000000000 0.75000000000000 0.24975887791197 32.065 > 17 63 S 0.50000000000000 0.75000000000000 0.24975887791197 32.065 > 17 64 S 0.75000000000000 0.75000000000000 0.24975887791197 32.065 > 17 65 S 0.00000000000000 0.00000000000000 0.41647397281669 32.065 > 1 66 S 0.25000000000000 0.00000000000000 0.41647397281669 32.065 > 1 67 S 0.50000000000000 0.00000000000000 0.41647397281669 32.065 > 1 68 S 0.75000000000000 0.00000000000000 0.41647397281669 32.065 > 1 69 S 0.00000000000000 0.25000000000000 0.41647397281669 32.065 > 1 70 S 0.25000000000000 0.25000000000000 0.41647397281669 32.065 > 1 71 S 0.50000000000000 0.25000000000000 0.41647397281669 32.065 > 1 72 S 0.75000000000000 0.25000000000000 0.41647397281669 32.065 > 1 73 S 0.00000000000000 0.50000000000000 0.41647397281669 32.065 > 1 74 S 0.25000000000000 0.50000000000000 0.41647397281669 32.065 > 1 75 S 0.50000000000000 0.50000000000000 0.41647397281669 32.065 > 1 76 S 0.75000000000000 0.50000000000000 0.41647397281669 32.065 > 1 77 S 0.00000000000000 0.75000000000000 0.41647397281669 32.065 > 1 78 S 0.25000000000000 0.75000000000000 0.41647397281669 32.065 > 1 79 S 0.50000000000000 0.75000000000000 0.41647397281669 32.065 > 1 80 S 0.75000000000000 0.75000000000000 0.41647397281669 32.065 > 1 81 S 0.16666666666667 0.08333333333333 0.58309221124530 32.065 > 17 82 S 0.41666666666667 0.08333333333333 0.58309221124530 32.065 > 17 83 S 0.66666666666667 0.08333333333333 0.58309221124530 32.065 > 17 84 S 0.91666666666667 0.08333333333333 0.58309221124530 32.065 > 17 85 S 0.16666666666667 0.33333333333333 0.58309221124530 32.065 > 17 86 S 0.41666666666667 0.33333333333333 0.58309221124530 32.065 > 17 87 S 0.66666666666667 0.33333333333333 0.58309221124530 32.065 > 17 88 S 0.91666666666667 0.33333333333333 0.58309221124530 32.065 > 17 89 S 0.16666666666667 0.58333333333333 0.58309221124530 32.065 > 17 90 S 0.41666666666667 0.58333333333333 0.58309221124530 32.065 > 17 91 S 0.66666666666667 0.58333333333333 0.58309221124530 32.065 > 17 92 S 0.91666666666667 0.58333333333333 0.58309221124530 32.065 > 17 93 S 0.16666666666667 0.83333333333333 0.58309221124530 32.065 > 17 94 S 0.41666666666667 0.83333333333333 0.58309221124530 32.065 > 17 95 S 0.66666666666667 0.83333333333333 0.58309221124530 32.065 > 17 96 S 0.91666666666667 0.83333333333333 0.58309221124530 32.065 > 17 97 Mo 0.00000000000000 0.00000000000000 0.99976713260469 95.960 > 97 98 Mo 0.25000000000000 0.00000000000000 0.99976713260469 95.960 > 97 99 Mo 0.50000000000000 0.00000000000000 0.99976713260469 95.960 > 97 100 Mo 0.75000000000000 0.00000000000000 0.99976713260469 95.960 > 97 101 Mo 0.00000000000000 0.25000000000000 0.99976713260469 95.960 > 97 102 Mo 0.25000000000000 0.25000000000000 0.99976713260469 95.960 > 97 103 Mo 0.50000000000000 0.25000000000000 0.99976713260469 95.960 > 97 104 Mo 0.75000000000000 0.25000000000000 0.99976713260469 95.960 > 97 105 Mo 0.00000000000000 0.50000000000000 0.99976713260469 95.960 > 97 106 Mo 0.25000000000000 0.50000000000000 0.99976713260469 95.960 > 97 107 Mo 0.50000000000000 0.50000000000000 0.99976713260469 95.960 > 97 108 Mo 0.75000000000000 0.50000000000000 0.99976713260469 95.960 > 97 109 Mo 0.00000000000000 0.75000000000000 0.99976713260469 95.960 > 97 110 Mo 0.25000000000000 0.75000000000000 0.99976713260469 95.960 > 97 111 Mo 0.50000000000000 0.75000000000000 0.99976713260469 95.960 > 97 112 Mo 0.75000000000000 0.75000000000000 0.99976713260469 95.960 > 97 113 Mo 0.16666666666667 0.08333333333333 0.33310046593802 95.960 > 97 114 Mo 0.41666666666667 0.08333333333333 0.33310046593802 95.960 > 97 115 Mo 0.66666666666667 0.08333333333333 0.33310046593802 95.960 > 97 116 Mo 0.91666666666667 0.08333333333333 0.33310046593802 95.960 > 97 117 Mo 0.16666666666667 0.33333333333333 0.33310046593802 95.960 > 97 118 Mo 0.41666666666667 0.33333333333333 0.33310046593802 95.960 > 97 119 Mo 0.66666666666667 0.33333333333333 0.33310046593802 95.960 > 97 120 Mo 0.91666666666667 0.33333333333333 0.33310046593802 95.960 > 97 121 Mo 0.16666666666667 0.58333333333333 0.33310046593802 95.960 > 97 122 Mo 0.41666666666667 0.58333333333333 0.33310046593802 95.960 > 97 123 Mo 0.66666666666667 0.58333333333333 0.33310046593802 95.960 > 97 124 Mo 0.91666666666667 0.58333333333333 0.33310046593802 95.960 > 97 125 Mo 0.16666666666667 0.83333333333333 0.33310046593802 95.960 > 97 126 Mo 0.41666666666667 0.83333333333333 0.33310046593802 95.960 > 97 127 Mo 0.66666666666667 0.83333333333333 0.33310046593802 95.960 > 97 128 Mo 0.91666666666667 0.83333333333333 0.33310046593802 95.960 > 97 129 Mo 0.08333333333333 0.16666666666667 0.66643379927136 95.960 > 97 130 Mo 0.33333333333333 0.16666666666667 0.66643379927136 95.960 > 97 131 Mo 0.58333333333333 0.16666666666667 0.66643379927136 95.960 > 97 132 Mo 0.83333333333333 0.16666666666667 0.66643379927136 95.960 > 97 133 Mo 0.08333333333333 0.41666666666667 0.66643379927136 95.960 > 97 134 Mo 0.33333333333333 0.41666666666667 0.66643379927136 95.960 > 97 135 Mo 0.58333333333333 0.41666666666667 0.66643379927136 95.960 > 97 136 Mo 0.83333333333333 0.41666666666667 0.66643379927136 95.960 > 97 137 Mo 0.08333333333333 0.66666666666667 0.66643379927136 95.960 > 97 138 Mo 0.33333333333333 0.66666666666667 0.66643379927136 95.960 > 97 139 Mo 0.58333333333333 0.66666666666667 0.66643379927136 95.960 > 97 140 Mo 0.83333333333333 0.66666666666667 0.66643379927136 95.960 > 97 141 Mo 0.08333333333333 0.91666666666667 0.66643379927136 95.960 > 97 142 Mo 0.33333333333333 0.91666666666667 0.66643379927136 95.960 > 97 143 Mo 0.58333333333333 0.91666666666667 0.66643379927136 95.960 > 97 144 Mo 0.83333333333333 0.91666666666667 0.66643379927136 95.960 > 97 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 14.6636416 0.0000000 0.0000000 0.0000000 14.6636416 0.0000000 0.0000000 0.0000000 6.3477796 -------------------------- Born effective charges -------------------------- 1 S 0.5251073 0.0000000 0.0000000 0.0000000 0.5251073 0.0000000 0.0000000 0.0000000 0.2934954 2 S 0.5359183 0.0000000 0.0000000 -0.0000000 0.5359183 0.0000000 0.0000000 0.0000000 0.3646428 3 Mo -1.0610256 -0.0000000 0.0000000 0.0000000 -1.0610256 0.0000000 0.0000000 0.0000000 -0.6581382 ---------------------------------------------------------------------------- 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[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000002 (zzz) 0.00000002 (zzz) 0.00000002 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 18:50:17]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 18:50:18]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [4 4 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R3m (160) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.569908814195247 0.906387276478790 6.226284743333326 b -1.569908814195244 0.906387276478790 6.226284743333326 c 0.000000000000002 -1.812774552957583 6.226284743333326 Atomic positions (fractional): 1 S 0.41647397281669 0.41647397281669 0.41647397281669 32.065 2 S 0.24975887791197 0.24975887791197 0.24975887791197 32.065 3 Mo 0.99976713260469 0.99976713260469 0.99976713260469 95.960 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.559270513561964 0.000000000000000 0.000000000000000 b -6.279635256780984 10.876647317745496 0.000000000000000 c 0.000000000000000 0.000000000000000 18.678854229999999 Atomic positions (fractional): 1 S 0.16666666666667 0.08333333333333 0.74980730615002 32.065 > 1 2 S 0.41666666666667 0.08333333333333 0.74980730615002 32.065 > 1 3 S 0.66666666666667 0.08333333333333 0.74980730615002 32.065 > 1 4 S 0.91666666666667 0.08333333333333 0.74980730615002 32.065 > 1 5 S 0.16666666666667 0.33333333333333 0.74980730615002 32.065 > 1 6 S 0.41666666666667 0.33333333333333 0.74980730615002 32.065 > 1 7 S 0.66666666666667 0.33333333333333 0.74980730615002 32.065 > 1 8 S 0.91666666666667 0.33333333333333 0.74980730615002 32.065 > 1 9 S 0.16666666666667 0.58333333333333 0.74980730615002 32.065 > 1 10 S 0.41666666666667 0.58333333333333 0.74980730615002 32.065 > 1 11 S 0.66666666666667 0.58333333333333 0.74980730615002 32.065 > 1 12 S 0.91666666666667 0.58333333333333 0.74980730615002 32.065 > 1 13 S 0.16666666666667 0.83333333333333 0.74980730615002 32.065 > 1 14 S 0.41666666666667 0.83333333333333 0.74980730615002 32.065 > 1 15 S 0.66666666666667 0.83333333333333 0.74980730615002 32.065 > 1 16 S 0.91666666666667 0.83333333333333 0.74980730615002 32.065 > 1 17 S 0.08333333333333 0.16666666666667 0.91642554457863 32.065 > 17 18 S 0.33333333333333 0.16666666666667 0.91642554457863 32.065 > 17 19 S 0.58333333333333 0.16666666666667 0.91642554457863 32.065 > 17 20 S 0.83333333333333 0.16666666666667 0.91642554457863 32.065 > 17 21 S 0.08333333333333 0.41666666666667 0.91642554457863 32.065 > 17 22 S 0.33333333333333 0.41666666666667 0.91642554457863 32.065 > 17 23 S 0.58333333333333 0.41666666666667 0.91642554457863 32.065 > 17 24 S 0.83333333333333 0.41666666666667 0.91642554457863 32.065 > 17 25 S 0.08333333333333 0.66666666666667 0.91642554457863 32.065 > 17 26 S 0.33333333333333 0.66666666666667 0.91642554457863 32.065 > 17 27 S 0.58333333333333 0.66666666666667 0.91642554457863 32.065 > 17 28 S 0.83333333333333 0.66666666666667 0.91642554457863 32.065 > 17 29 S 0.08333333333333 0.91666666666667 0.91642554457863 32.065 > 17 30 S 0.33333333333333 0.91666666666667 0.91642554457863 32.065 > 17 31 S 0.58333333333333 0.91666666666667 0.91642554457863 32.065 > 17 32 S 0.83333333333333 0.91666666666667 0.91642554457863 32.065 > 17 33 S 0.08333333333333 0.16666666666667 0.08314063948335 32.065 > 1 34 S 0.33333333333333 0.16666666666667 0.08314063948335 32.065 > 1 35 S 0.58333333333333 0.16666666666667 0.08314063948335 32.065 > 1 36 S 0.83333333333333 0.16666666666667 0.08314063948335 32.065 > 1 37 S 0.08333333333333 0.41666666666667 0.08314063948335 32.065 > 1 38 S 0.33333333333333 0.41666666666667 0.08314063948335 32.065 > 1 39 S 0.58333333333333 0.41666666666667 0.08314063948335 32.065 > 1 40 S 0.83333333333333 0.41666666666667 0.08314063948335 32.065 > 1 41 S 0.08333333333333 0.66666666666667 0.08314063948335 32.065 > 1 42 S 0.33333333333333 0.66666666666667 0.08314063948335 32.065 > 1 43 S 0.58333333333333 0.66666666666667 0.08314063948335 32.065 > 1 44 S 0.83333333333333 0.66666666666667 0.08314063948335 32.065 > 1 45 S 0.08333333333333 0.91666666666667 0.08314063948335 32.065 > 1 46 S 0.33333333333333 0.91666666666667 0.08314063948335 32.065 > 1 47 S 0.58333333333333 0.91666666666667 0.08314063948335 32.065 > 1 48 S 0.83333333333333 0.91666666666667 0.08314063948335 32.065 > 1 49 S 0.00000000000000 0.00000000000000 0.24975887791197 32.065 > 17 50 S 0.25000000000000 0.00000000000000 0.24975887791197 32.065 > 17 51 S 0.50000000000000 0.00000000000000 0.24975887791197 32.065 > 17 52 S 0.75000000000000 0.00000000000000 0.24975887791197 32.065 > 17 53 S 0.00000000000000 0.25000000000000 0.24975887791197 32.065 > 17 54 S 0.25000000000000 0.25000000000000 0.24975887791197 32.065 > 17 55 S 0.50000000000000 0.25000000000000 0.24975887791197 32.065 > 17 56 S 0.75000000000000 0.25000000000000 0.24975887791197 32.065 > 17 57 S 0.00000000000000 0.50000000000000 0.24975887791197 32.065 > 17 58 S 0.25000000000000 0.50000000000000 0.24975887791197 32.065 > 17 59 S 0.50000000000000 0.50000000000000 0.24975887791197 32.065 > 17 60 S 0.75000000000000 0.50000000000000 0.24975887791197 32.065 > 17 61 S 0.00000000000000 0.75000000000000 0.24975887791197 32.065 > 17 62 S 0.25000000000000 0.75000000000000 0.24975887791197 32.065 > 17 63 S 0.50000000000000 0.75000000000000 0.24975887791197 32.065 > 17 64 S 0.75000000000000 0.75000000000000 0.24975887791197 32.065 > 17 65 S 0.00000000000000 0.00000000000000 0.41647397281669 32.065 > 1 66 S 0.25000000000000 0.00000000000000 0.41647397281669 32.065 > 1 67 S 0.50000000000000 0.00000000000000 0.41647397281669 32.065 > 1 68 S 0.75000000000000 0.00000000000000 0.41647397281669 32.065 > 1 69 S 0.00000000000000 0.25000000000000 0.41647397281669 32.065 > 1 70 S 0.25000000000000 0.25000000000000 0.41647397281669 32.065 > 1 71 S 0.50000000000000 0.25000000000000 0.41647397281669 32.065 > 1 72 S 0.75000000000000 0.25000000000000 0.41647397281669 32.065 > 1 73 S 0.00000000000000 0.50000000000000 0.41647397281669 32.065 > 1 74 S 0.25000000000000 0.50000000000000 0.41647397281669 32.065 > 1 75 S 0.50000000000000 0.50000000000000 0.41647397281669 32.065 > 1 76 S 0.75000000000000 0.50000000000000 0.41647397281669 32.065 > 1 77 S 0.00000000000000 0.75000000000000 0.41647397281669 32.065 > 1 78 S 0.25000000000000 0.75000000000000 0.41647397281669 32.065 > 1 79 S 0.50000000000000 0.75000000000000 0.41647397281669 32.065 > 1 80 S 0.75000000000000 0.75000000000000 0.41647397281669 32.065 > 1 81 S 0.16666666666667 0.08333333333333 0.58309221124530 32.065 > 17 82 S 0.41666666666667 0.08333333333333 0.58309221124530 32.065 > 17 83 S 0.66666666666667 0.08333333333333 0.58309221124530 32.065 > 17 84 S 0.91666666666667 0.08333333333333 0.58309221124530 32.065 > 17 85 S 0.16666666666667 0.33333333333333 0.58309221124530 32.065 > 17 86 S 0.41666666666667 0.33333333333333 0.58309221124530 32.065 > 17 87 S 0.66666666666667 0.33333333333333 0.58309221124530 32.065 > 17 88 S 0.91666666666667 0.33333333333333 0.58309221124530 32.065 > 17 89 S 0.16666666666667 0.58333333333333 0.58309221124530 32.065 > 17 90 S 0.41666666666667 0.58333333333333 0.58309221124530 32.065 > 17 91 S 0.66666666666667 0.58333333333333 0.58309221124530 32.065 > 17 92 S 0.91666666666667 0.58333333333333 0.58309221124530 32.065 > 17 93 S 0.16666666666667 0.83333333333333 0.58309221124530 32.065 > 17 94 S 0.41666666666667 0.83333333333333 0.58309221124530 32.065 > 17 95 S 0.66666666666667 0.83333333333333 0.58309221124530 32.065 > 17 96 S 0.91666666666667 0.83333333333333 0.58309221124530 32.065 > 17 97 Mo 0.00000000000000 0.00000000000000 0.99976713260469 95.960 > 97 98 Mo 0.25000000000000 0.00000000000000 0.99976713260469 95.960 > 97 99 Mo 0.50000000000000 0.00000000000000 0.99976713260469 95.960 > 97 100 Mo 0.75000000000000 0.00000000000000 0.99976713260469 95.960 > 97 101 Mo 0.00000000000000 0.25000000000000 0.99976713260469 95.960 > 97 102 Mo 0.25000000000000 0.25000000000000 0.99976713260469 95.960 > 97 103 Mo 0.50000000000000 0.25000000000000 0.99976713260469 95.960 > 97 104 Mo 0.75000000000000 0.25000000000000 0.99976713260469 95.960 > 97 105 Mo 0.00000000000000 0.50000000000000 0.99976713260469 95.960 > 97 106 Mo 0.25000000000000 0.50000000000000 0.99976713260469 95.960 > 97 107 Mo 0.50000000000000 0.50000000000000 0.99976713260469 95.960 > 97 108 Mo 0.75000000000000 0.50000000000000 0.99976713260469 95.960 > 97 109 Mo 0.00000000000000 0.75000000000000 0.99976713260469 95.960 > 97 110 Mo 0.25000000000000 0.75000000000000 0.99976713260469 95.960 > 97 111 Mo 0.50000000000000 0.75000000000000 0.99976713260469 95.960 > 97 112 Mo 0.75000000000000 0.75000000000000 0.99976713260469 95.960 > 97 113 Mo 0.16666666666667 0.08333333333333 0.33310046593802 95.960 > 97 114 Mo 0.41666666666667 0.08333333333333 0.33310046593802 95.960 > 97 115 Mo 0.66666666666667 0.08333333333333 0.33310046593802 95.960 > 97 116 Mo 0.91666666666667 0.08333333333333 0.33310046593802 95.960 > 97 117 Mo 0.16666666666667 0.33333333333333 0.33310046593802 95.960 > 97 118 Mo 0.41666666666667 0.33333333333333 0.33310046593802 95.960 > 97 119 Mo 0.66666666666667 0.33333333333333 0.33310046593802 95.960 > 97 120 Mo 0.91666666666667 0.33333333333333 0.33310046593802 95.960 > 97 121 Mo 0.16666666666667 0.58333333333333 0.33310046593802 95.960 > 97 122 Mo 0.41666666666667 0.58333333333333 0.33310046593802 95.960 > 97 123 Mo 0.66666666666667 0.58333333333333 0.33310046593802 95.960 > 97 124 Mo 0.91666666666667 0.58333333333333 0.33310046593802 95.960 > 97 125 Mo 0.16666666666667 0.83333333333333 0.33310046593802 95.960 > 97 126 Mo 0.41666666666667 0.83333333333333 0.33310046593802 95.960 > 97 127 Mo 0.66666666666667 0.83333333333333 0.33310046593802 95.960 > 97 128 Mo 0.91666666666667 0.83333333333333 0.33310046593802 95.960 > 97 129 Mo 0.08333333333333 0.16666666666667 0.66643379927136 95.960 > 97 130 Mo 0.33333333333333 0.16666666666667 0.66643379927136 95.960 > 97 131 Mo 0.58333333333333 0.16666666666667 0.66643379927136 95.960 > 97 132 Mo 0.83333333333333 0.16666666666667 0.66643379927136 95.960 > 97 133 Mo 0.08333333333333 0.41666666666667 0.66643379927136 95.960 > 97 134 Mo 0.33333333333333 0.41666666666667 0.66643379927136 95.960 > 97 135 Mo 0.58333333333333 0.41666666666667 0.66643379927136 95.960 > 97 136 Mo 0.83333333333333 0.41666666666667 0.66643379927136 95.960 > 97 137 Mo 0.08333333333333 0.66666666666667 0.66643379927136 95.960 > 97 138 Mo 0.33333333333333 0.66666666666667 0.66643379927136 95.960 > 97 139 Mo 0.58333333333333 0.66666666666667 0.66643379927136 95.960 > 97 140 Mo 0.83333333333333 0.66666666666667 0.66643379927136 95.960 > 97 141 Mo 0.08333333333333 0.91666666666667 0.66643379927136 95.960 > 97 142 Mo 0.33333333333333 0.91666666666667 0.66643379927136 95.960 > 97 143 Mo 0.58333333333333 0.91666666666667 0.66643379927136 95.960 > 97 144 Mo 0.83333333333333 0.91666666666667 0.66643379927136 95.960 > 97 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 14.6636416 0.0000000 0.0000000 0.0000000 14.6636416 0.0000000 0.0000000 0.0000000 6.3477796 -------------------------- Born effective charges -------------------------- 1 S 0.5251073 0.0000000 0.0000000 0.0000000 0.5251073 0.0000000 0.0000000 0.0000000 0.2934954 2 S 0.5359183 0.0000000 0.0000000 -0.0000000 0.5359183 0.0000000 0.0000000 0.0000000 0.3646428 3 Mo -1.0610256 -0.0000000 0.0000000 0.0000000 -1.0610256 0.0000000 0.0000000 0.0000000 -0.6581382 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000002 (zzz) 0.00000002 (zzz) 0.00000002 (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 ... [ 19 19 19 ] 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: 1.10, Number of G-points: 295, Lambda: 0.40 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/670) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 670 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 8.592 ( 0.000 0.000 0.000) 0.000 8.592 ( 0.000 0.000 0.000) 0.000 11.526 ( 0.000 0.000 0.000) 0.000 11.526 ( 0.000 0.000 0.000) 0.000 12.231 ( -0.000 0.000 0.000) 0.000 14.020 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/670) ======================= q-point: ( 0.05 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.380 ( 18.645 10.764 1.993) 21.621 0.805 ( 35.740 20.634 -0.706) 41.275 1.304 ( 57.463 33.176 1.466) 66.369 8.614 ( 1.859 1.073 0.177) 2.154 8.665 ( 6.439 3.717 -0.364) 7.444 11.517 ( -0.837 -0.483 -0.007) 0.966 11.538 ( -5.092 -2.940 -0.314) 5.888 12.249 ( 1.496 0.864 -0.248) 1.746 13.953 ( -6.002 -3.465 0.436) 6.944 ======================= Grid point 2 (3/670) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.867 ( 24.790 14.313 -0.106) 28.625 1.585 ( 34.026 19.645 -0.714) 39.297 2.562 ( 54.465 31.445 1.202) 62.902 8.674 ( 3.403 1.965 0.312) 3.942 8.866 ( 11.245 6.493 -0.482) 12.994 11.382 ( -8.510 -4.913 0.085) 9.827 11.488 ( -1.751 -1.011 -0.015) 2.022 12.288 ( 1.852 1.069 -0.458) 2.187 13.758 ( -11.446 -6.608 0.314) 13.220 ======================= Grid point 3 (4/670) ======================= q-point: ( 0.16 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.484 ( 30.440 17.574 -2.145) 35.214 2.315 ( 31.256 18.046 -0.705) 36.099 3.731 ( 49.517 28.589 0.785) 57.183 8.763 ( 4.405 2.543 0.377) 5.100 9.148 ( 13.645 7.878 -0.260) 15.758 11.172 ( -10.005 -5.777 0.381) 11.559 11.438 ( -2.737 -1.580 -0.023) 3.160 12.324 ( 1.474 0.851 -0.644) 1.820 13.451 ( -15.903 -9.182 0.265) 18.366 ======================= Grid point 4 (5/670) ======================= q-point: ( 0.21 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.198 ( 33.754 19.488 -3.688) 39.150 2.971 ( 27.546 15.904 -0.657) 31.814 4.766 ( 42.661 24.631 0.251) 49.262 8.868 ( 4.776 2.757 0.368) 5.527 9.457 ( 13.644 7.878 0.262) 15.757 10.951 ( -9.602 -5.544 0.721) 11.111 11.366 ( -3.657 -2.111 -0.031) 4.222 12.348 ( 0.813 0.469 -0.825) 1.250 13.060 ( -18.797 -10.852 0.230) 21.706 ======================= Grid point 5 (6/670) ======================= q-point: ( 0.26 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.951 ( 34.214 19.753 -4.684) 39.784 3.536 ( 23.056 13.311 -0.556) 26.628 5.626 ( 34.029 19.646 -0.336) 39.294 8.974 ( 4.560 2.633 0.301) 5.274 9.743 ( 11.471 6.623 0.996) 13.283 10.761 ( -7.291 -4.210 1.106) 8.492 11.277 ( -4.271 -2.466 -0.040) 4.931 12.355 ( -0.010 -0.006 -1.019) 1.019 12.629 ( -19.365 -11.180 0.218) 22.362 ======================= Grid point 6 (7/670) ======================= q-point: ( 0.32 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.679 ( 31.724 18.316 -5.106) 36.985 3.995 ( 18.018 10.403 -0.414) 20.809 6.276 ( 24.236 13.993 -0.844) 27.998 9.070 ( 3.889 2.245 0.208) 4.495 9.960 ( 7.245 4.183 1.813) 8.560 10.642 ( -3.562 -2.057 1.440) 4.358 11.179 ( -4.333 -2.502 -0.048) 5.004 12.208 ( -16.749 -9.670 -0.112) 19.341 12.352 ( -0.954 -0.551 -0.905) 1.425 ======================= Grid point 7 (8/670) ======================= q-point: ( 0.37 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.318 ( 26.223 15.140 -4.817) 30.660 4.338 ( 12.734 7.352 -0.261) 14.707 6.707 ( 14.775 8.531 -1.065) 17.094 9.147 ( 2.921 1.686 0.120) 3.375 10.066 ( 1.595 0.921 2.384) 3.012 10.610 ( 0.157 0.090 1.562) 1.573 11.088 ( -3.720 -2.147 -0.050) 4.295 11.883 ( -11.726 -6.770 -0.203) 13.542 12.330 ( -0.976 -0.564 -0.993) 1.503 ======================= Grid point 8 (9/670) ======================= q-point: ( 0.42 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.563 ( 7.503 4.332 -0.131) 8.664 4.802 ( 17.629 10.178 -3.584) 20.669 6.946 ( 7.318 4.225 -0.863) 8.495 9.200 ( 1.795 1.037 0.055) 2.074 10.056 ( -2.391 -1.381 2.135) 3.491 10.642 ( 1.896 1.095 1.289) 2.540 11.017 ( -2.496 -1.441 -0.041) 2.882 11.691 ( -5.556 -3.208 -0.296) 6.422 12.305 ( -0.927 -0.535 -0.767) 1.317 ======================= Grid point 9 (10/670) ======================= q-point: ( 0.47 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.674 ( 2.466 1.424 -0.038) 2.848 5.066 ( 6.276 3.624 -1.351) 7.372 7.047 ( 2.129 1.229 -0.326) 2.480 9.227 ( 0.604 0.349 0.015) 0.697 10.007 ( -1.639 -0.946 0.868) 2.082 10.681 ( 1.012 0.584 0.509) 1.275 10.979 ( -0.876 -0.506 -0.016) 1.012 11.617 ( -1.421 -0.821 -0.138) 1.647 12.288 ( -0.389 -0.225 -0.293) 0.536 ======================= Grid point 20 (11/670) ======================= q-point: ( 0.05 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.397 ( -0.000 21.048 5.673) 21.799 0.821 ( -0.000 41.115 2.918) 41.218 1.298 ( -0.000 66.233 0.040) 66.233 8.610 ( -0.000 2.017 -0.573) 2.097 8.668 ( -0.000 7.559 0.154) 7.561 11.517 ( 0.000 -0.945 0.132) 0.954 11.536 ( 0.000 -5.723 -0.762) 5.774 12.248 ( -0.000 1.734 -0.465) 1.795 13.955 ( 0.000 -7.067 0.845) 7.118 ======================= Grid point 21 (12/670) ======================= q-point: ( 0.11 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.735 ( 12.300 23.100 2.883) 26.329 1.409 ( 19.700 36.377 1.214) 41.387 2.219 ( 32.135 54.214 0.669) 63.026 8.652 ( 2.120 2.892 -0.417) 3.610 8.803 ( 5.567 10.326 -0.042) 11.731 11.425 ( -4.530 -8.015 -0.187) 9.208 11.503 ( -0.746 -1.183 0.109) 1.403 12.275 ( 1.031 1.808 -0.661) 2.183 13.824 ( -5.849 -10.102 0.590) 11.688 ======================= Grid point 22 (13/670) ======================= q-point: ( 0.16 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.253 ( 20.709 25.133 -0.250) 32.567 2.111 ( 22.903 32.577 0.269) 39.823 3.304 ( 39.787 42.202 0.655) 58.004 8.731 ( 3.393 3.767 -0.159) 5.072 9.040 ( 9.733 11.350 -0.049) 14.951 11.240 ( -7.066 -9.330 0.173) 11.705 11.470 ( -2.002 -0.980 0.102) 2.232 12.307 ( 1.242 1.156 -0.831) 1.890 13.572 ( -10.983 -12.654 0.469) 16.763 ======================= Grid point 23 (14/670) ======================= q-point: ( 0.21 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.899 ( 26.605 26.202 -2.523) 37.426 2.787 ( 21.356 29.773 -0.073) 36.640 4.338 ( 39.591 32.525 0.231) 51.239 8.833 ( 3.930 4.494 -0.035) 5.970 9.332 ( 11.683 10.790 0.332) 15.907 11.023 ( -7.699 -9.444 0.509) 12.195 11.417 ( -3.429 -0.734 0.100) 3.508 12.331 ( 1.055 0.183 -0.999) 1.464 13.223 ( -14.920 -14.388 0.402) 20.731 ======================= Grid point 24 (15/670) ======================= q-point: ( 0.26 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.618 ( 29.681 25.718 -3.952) 39.471 3.392 ( 17.849 26.994 -0.167) 32.361 5.242 ( 35.337 23.722 -0.341) 42.562 8.944 ( 3.766 5.012 -0.020) 6.269 9.626 ( 11.370 8.981 0.990) 14.523 10.817 ( -6.435 -8.307 0.881) 10.545 11.342 ( -4.726 -0.473 0.105) 4.750 12.339 ( 0.716 -0.883 -1.179) 1.638 12.810 ( -17.017 -14.942 0.368) 22.649 ======================= Grid point 25 (16/670) ======================= q-point: ( 0.32 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.348 ( 29.771 23.641 -4.656) 38.300 3.901 ( 13.340 23.887 -0.137) 27.360 5.966 ( 28.448 15.323 -0.896) 32.325 9.052 ( 3.002 5.342 -0.067) 6.128 9.877 ( 8.867 6.112 1.797) 10.918 10.665 ( -3.518 -6.051 1.239) 7.108 11.253 ( -5.518 -0.145 0.114) 5.522 12.324 ( -2.092 -3.653 -1.391) 4.434 12.392 ( -14.097 -12.153 0.360) 18.616 ======================= Grid point 26 (17/670) ======================= q-point: ( 0.37 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.026 ( 26.819 20.035 -4.627) 33.794 4.297 ( 8.396 20.437 -0.062) 22.095 6.483 ( 20.348 7.759 -1.235) 21.813 9.145 ( 1.808 5.520 -0.133) 5.809 10.037 ( 4.289 2.309 2.536) 5.492 10.594 ( 0.112 -3.426 1.442) 3.719 11.160 ( -5.543 0.393 0.126) 5.558 12.004 ( -12.914 -11.150 -0.065) 17.062 12.317 ( 0.136 -2.586 -1.208) 2.857 ======================= Grid point 27 (18/670) ======================= q-point: ( 0.42 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.573 ( 6.561 16.289 -0.091) 17.561 4.591 ( 17.606 15.514 -3.631) 23.745 6.802 ( 12.859 1.938 -1.184) 13.058 9.217 ( 0.356 5.565 -0.186) 5.579 10.076 ( -0.759 -1.439 2.724) 3.173 10.601 ( 2.749 -1.767 1.318) 3.524 11.081 ( -4.790 1.302 0.144) 4.966 11.745 ( -7.033 -7.185 -0.259) 10.057 12.290 ( 0.284 -2.950 -1.097) 3.160 ======================= Grid point 28 (19/670) ======================= q-point: ( 0.47 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.739 ( -1.354 13.409 0.209) 13.479 4.969 ( 11.500 8.566 -2.007) 14.479 6.963 ( 7.129 -1.865 -0.759) 7.408 9.262 ( -1.218 5.417 -0.207) 5.556 10.026 ( -2.352 -2.819 1.906) 4.137 10.640 ( 3.044 -1.941 0.721) 3.681 11.029 ( -3.544 2.540 0.150) 4.363 11.620 ( -1.881 -3.919 -0.236) 4.353 12.267 ( 0.806 -2.931 -0.717) 3.123 ======================= Grid point 29 (20/670) ======================= q-point: (-0.47 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.793 ( -6.057 10.441 0.271) 12.074 5.112 ( -0.210 1.367 0.535) 1.483 7.012 ( 2.764 -4.466 -0.150) 5.254 9.278 ( -2.774 4.870 -0.190) 5.608 9.986 ( 0.328 -1.433 0.274) 1.495 10.656 ( 1.554 -3.048 -0.182) 3.426 11.012 ( -2.123 3.620 0.108) 4.197 11.589 ( 1.249 -2.042 0.012) 2.393 12.259 ( 1.645 -2.543 -0.154) 3.033 ======================= Grid point 30 (21/670) ======================= q-point: (-0.42 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.740 ( -10.972 7.833 0.340) 13.486 4.990 ( -12.424 -5.321 2.934) 13.830 6.968 ( -1.697 -6.987 0.428) 7.202 9.263 ( -4.059 3.828 -0.184) 5.582 10.012 ( 3.062 0.284 -1.314) 3.344 10.632 ( -0.118 -3.690 -0.998) 3.825 11.029 ( -0.434 4.271 0.067) 4.293 11.622 ( 4.395 -0.296 0.248) 4.412 12.271 ( 2.357 -2.033 0.385) 3.136 ======================= Grid point 31 (22/670) ======================= q-point: (-0.37 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.575 ( -16.568 4.257 0.456) 17.112 4.626 ( -22.639 -9.238 4.405) 24.845 6.810 ( -7.961 -10.116 0.765) 12.895 9.217 ( -4.996 2.545 -0.231) 5.611 10.055 ( 1.462 -0.188 -2.048) 2.523 10.590 ( 0.023 -3.233 -1.402) 3.524 11.080 ( 1.282 4.722 0.060) 4.894 11.748 ( 9.696 2.471 0.282) 10.010 12.297 ( 2.545 -1.640 0.715) 3.111 ======================= Grid point 32 (23/670) ======================= q-point: (-0.32 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.066 ( -30.527 -13.397 4.742) 33.673 4.301 ( -21.969 2.927 0.696) 22.174 6.492 ( -16.899 -13.760 0.715) 21.804 9.144 ( -5.691 1.270 -0.312) 5.840 10.019 ( -3.996 -2.519 -1.804) 5.057 10.582 ( 2.900 -1.703 -1.373) 3.633 11.160 ( 2.446 4.922 0.056) 5.497 12.004 ( 16.050 5.562 0.143) 16.987 12.325 ( 2.202 -1.385 0.794) 2.720 ======================= Grid point 33 (24/670) ======================= q-point: (-0.26 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.387 ( -35.349 -14.349 4.454) 38.409 3.904 ( -27.390 0.329 0.766) 27.403 5.972 ( -27.615 -17.022 0.346) 32.441 9.051 ( -6.138 0.165 -0.394) 6.153 9.865 ( -9.486 -4.545 -1.080) 10.574 10.655 ( 7.061 0.161 -1.103) 7.149 11.252 ( 2.897 4.639 0.048) 5.470 12.334 ( 4.474 0.121 0.855) 4.556 12.390 ( 17.268 5.959 -0.121) 18.267 ======================= Grid point 34 (25/670) ======================= q-point: (-0.21 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.650 ( -37.268 -13.413 3.590) 39.770 3.396 ( -32.326 -2.108 0.817) 32.405 5.243 ( -38.388 -18.760 -0.121) 42.727 8.943 ( -6.234 -0.620 -0.439) 6.280 9.621 ( -13.237 -5.324 -0.379) 14.273 10.810 ( 10.496 1.562 -0.735) 10.637 11.342 ( 2.782 3.798 0.040) 4.708 12.347 ( 0.397 -1.061 0.636) 1.299 12.808 ( 21.424 7.224 -0.107) 22.609 ======================= Grid point 35 (26/670) ======================= q-point: (-0.16 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.919 ( -36.340 -10.705 2.332) 37.956 2.791 ( -36.482 -3.906 0.779) 36.699 4.335 ( -48.165 -17.945 -0.479) 51.401 8.831 ( -5.864 -0.952 -0.408) 5.955 9.331 ( -15.003 -4.784 0.094) 15.748 11.019 ( 12.103 2.073 -0.395) 12.285 11.416 ( 2.356 2.551 0.033) 3.473 12.337 ( -0.684 -0.827 0.436) 1.159 13.221 ( 19.883 5.686 -0.112) 20.680 ======================= Grid point 36 (27/670) ======================= q-point: (-0.11 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.258 ( -32.724 -6.315 0.898) 33.340 2.112 ( -39.689 -4.137 0.580) 39.908 3.299 ( -56.663 -13.059 -0.551) 58.151 8.730 ( -4.962 -0.749 -0.267) 5.025 9.042 ( -14.571 -2.958 0.238) 14.870 11.239 ( 11.681 1.564 -0.138) 11.786 11.470 ( 1.853 1.193 0.022) 2.204 12.312 ( -1.613 -0.506 0.227) 1.705 13.570 ( 16.396 3.149 -0.098) 16.696 ======================= Grid point 37 (28/670) ======================= q-point: (-0.05 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.723 ( -27.032 -0.000 0.000) 27.032 1.404 ( -41.521 -0.000 0.000) 41.521 2.216 ( -63.182 -0.000 0.000) 63.182 8.654 ( -3.562 -0.000 0.000) 3.562 8.803 ( -11.678 -0.000 0.000) 11.678 11.426 ( 9.306 0.000 -0.000) 9.306 11.503 ( 1.405 0.000 -0.000) 1.405 12.277 ( -2.069 -0.000 0.000) 2.069 13.821 ( 11.583 0.000 -0.000) 11.583 ======================= Grid point 40 (29/670) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.901 ( -0.000 28.522 3.738) 28.766 1.616 ( -0.000 39.153 2.788) 39.252 2.550 ( -0.000 62.781 -0.212) 62.781 8.662 ( -0.000 3.724 -1.046) 3.868 8.874 ( -0.000 13.157 0.433) 13.164 11.378 ( 0.000 -9.839 -0.260) 9.843 11.490 ( 0.000 -1.981 0.248) 1.997 12.284 ( -0.000 2.163 -0.829) 2.317 13.761 ( 0.000 -13.262 0.678) 13.279 ======================= Grid point 41 (30/670) ======================= q-point: ( 0.16 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.281 ( 9.245 31.510 1.757) 32.886 2.134 ( 15.023 36.699 1.977) 39.704 3.293 ( 17.624 55.169 -0.147) 57.916 8.719 ( 2.346 4.404 -0.983) 5.085 9.048 ( 4.381 14.385 0.511) 15.046 11.238 ( -4.296 -10.940 -0.026) 11.753 11.472 ( 0.017 -2.152 0.245) 2.166 12.305 ( 0.354 1.679 -0.982) 1.977 13.575 ( -5.531 -15.804 0.633) 16.756 ======================= Grid point 42 (31/670) ======================= q-point: ( 0.21 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.815 ( 16.698 32.644 -0.671) 36.672 2.779 ( 18.778 34.849 1.054) 39.600 4.142 ( 25.677 43.206 -0.210) 50.260 8.815 ( 3.723 5.182 -0.738) 6.423 9.289 ( 7.506 13.751 0.704) 15.681 11.039 ( -6.187 -11.205 0.276) 12.803 11.447 ( -1.054 -1.650 0.239) 1.972 12.319 ( 0.279 0.537 -1.142) 1.292 13.281 ( -10.217 -17.534 0.575) 20.302 ======================= Grid point 43 (32/670) ======================= q-point: ( 0.26 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.451 ( 21.945 31.849 -2.525) 38.760 3.414 ( 16.565 33.691 0.506) 37.547 4.956 ( 28.104 30.718 -0.538) 41.638 8.934 ( 4.033 6.103 -0.559) 7.337 9.556 ( 8.913 11.557 1.175) 14.642 10.831 ( -5.942 -10.294 0.618) 11.902 11.404 ( -2.711 -0.862 0.255) 2.856 12.317 ( 0.172 -0.955 -1.320) 1.638 12.908 ( -13.483 -18.169 0.538) 22.632 ======================= Grid point 44 (33/670) ======================= q-point: ( 0.32 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.133 ( 24.541 29.306 -3.629) 38.396 3.974 ( 11.840 32.071 0.240) 34.188 5.655 ( 26.501 18.944 -0.970) 32.591 9.061 ( 3.442 7.065 -0.484) 7.873 9.804 ( 8.331 8.223 1.868) 11.853 10.658 ( -3.858 -8.166 0.964) 9.083 11.341 ( -4.340 -0.006 0.283) 4.349 12.298 ( -0.031 -2.725 -1.521) 3.121 12.498 ( -14.448 -17.164 0.520) 22.441 ======================= Grid point 45 (34/670) ======================= q-point: ( 0.37 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.800 ( 24.253 25.273 -3.992) 35.255 4.426 ( 6.314 29.353 0.134) 30.025 6.195 ( 22.108 8.890 -1.286) 23.863 9.180 ( 2.173 7.954 -0.475) 8.259 9.990 ( 5.570 3.994 2.625) 7.340 10.557 ( -0.645 -5.463 1.203) 5.631 11.264 ( -5.346 0.928 0.313) 5.434 12.094 ( -12.737 -14.772 0.053) 19.505 12.277 ( 0.049 -3.952 -1.307) 4.162 ======================= Grid point 46 (35/670) ======================= q-point: ( 0.42 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.392 ( 20.938 19.968 -3.564) 29.152 4.753 ( 1.005 25.570 0.107) 25.590 6.564 ( 16.444 1.651 -1.291) 16.577 9.282 ( 0.470 8.661 -0.482) 8.687 10.071 ( 1.046 -0.610 3.083) 3.313 10.534 ( 2.334 -3.515 1.192) 4.385 11.188 ( -5.379 2.123 0.342) 5.792 11.786 ( -8.416 -11.020 -0.129) 13.867 12.239 ( 0.691 -4.592 -1.345) 4.834 ======================= Grid point 47 (36/670) ======================= q-point: ( 0.47 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.848 ( 14.404 13.575 -2.245) 19.920 4.958 ( -3.511 21.438 0.119) 21.724 6.782 ( 10.916 -2.602 -0.958) 11.263 9.358 ( -1.471 9.063 -0.460) 9.193 10.041 ( -2.322 -3.649 2.724) 5.111 10.557 ( 3.598 -3.426 0.785) 5.030 11.132 ( -4.596 3.609 0.345) 5.854 11.605 ( -2.866 -7.064 -0.268) 7.628 12.206 ( 1.363 -4.910 -1.061) 5.205 ======================= Grid point 48 (37/670) ======================= q-point: ( 0.53 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.053 ( -7.206 17.457 0.195) 18.887 5.110 ( 4.565 6.984 -0.178) 8.346 6.884 ( 6.142 -5.198 -0.445) 8.059 9.402 ( -3.628 8.901 -0.347) 9.618 9.972 ( -1.345 -3.526 1.375) 4.017 10.579 ( 3.107 -4.481 0.049) 5.453 11.105 ( -3.614 4.853 0.251) 6.056 11.537 ( 0.994 -4.623 -0.106) 4.730 12.188 ( 2.358 -4.690 -0.559) 5.279 ======================= Grid point 49 (38/670) ======================= q-point: (-0.42 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.052 ( -11.554 14.748 0.231) 18.737 5.131 ( -6.755 0.491 2.118) 7.096 6.888 ( 1.905 -7.720 0.066) 7.952 9.404 ( -5.769 7.787 -0.174) 9.693 9.957 ( 2.339 -1.466 -0.381) 2.786 10.572 ( 1.815 -5.147 -0.674) 5.499 11.104 ( -2.529 5.427 0.095) 5.988 11.539 ( 3.690 -3.066 0.155) 4.800 12.193 ( 3.377 -4.100 0.000) 5.312 ======================= Grid point 50 (39/670) ======================= q-point: (-0.37 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.892 ( -17.688 -4.126 2.728) 18.367 4.968 ( -16.960 12.371 1.285) 21.032 6.795 ( -2.787 -10.688 0.426) 11.054 9.361 ( -7.139 6.029 -0.146) 9.346 10.004 ( 3.620 -0.327 -1.518) 3.939 10.541 ( 0.790 -4.835 -1.103) 5.022 11.129 ( -0.845 5.642 0.009) 5.705 11.610 ( 7.567 -1.043 0.286) 7.644 12.219 ( 3.925 -3.428 0.409) 5.227 ======================= Grid point 51 (40/670) ======================= q-point: (-0.32 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.457 ( -27.032 -8.555 3.795) 28.606 4.759 ( -22.784 11.825 0.825) 25.683 6.580 ( -9.449 -13.448 0.502) 16.443 9.284 ( -7.797 4.149 -0.232) 8.835 10.029 ( 0.039 -1.317 -1.649) 2.111 10.514 ( 1.734 -3.583 -1.126) 4.137 11.185 ( 0.885 5.583 -0.012) 5.653 11.789 ( 13.596 1.672 0.212) 13.700 12.256 ( 3.800 -2.787 0.574) 4.747 ======================= Grid point 52 (41/670) ======================= q-point: (-0.26 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.866 ( -33.707 -9.330 3.524) 35.151 4.431 ( -28.680 9.024 0.782) 30.077 6.209 ( -18.816 -14.743 0.293) 23.906 9.181 ( -8.028 2.363 -0.309) 8.374 9.957 ( -5.823 -2.756 -1.103) 6.537 10.539 ( 5.061 -1.888 -0.902) 5.476 11.261 ( 1.908 4.974 -0.012) 5.327 12.095 ( 19.217 3.605 0.093) 19.552 12.293 ( 3.247 -2.066 0.522) 3.884 ======================= Grid point 53 (42/670) ======================= q-point: (-0.21 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.188 ( -37.653 -7.980 2.625) 38.579 3.979 ( -33.772 5.352 0.686) 34.201 5.664 ( -29.898 -13.400 -0.009) 32.763 9.062 ( -7.876 0.917 -0.316) 7.936 9.783 ( -10.842 -3.092 -0.465) 11.283 10.645 ( 9.105 -0.438 -0.576) 9.133 11.338 ( 2.207 3.657 -0.004) 4.271 12.315 ( 2.260 -1.336 0.441) 2.662 12.492 ( 22.134 3.826 -0.042) 22.462 ======================= Grid point 54 (43/670) ======================= q-point: (-0.16 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.485 ( -38.854 -4.797 1.361) 39.173 3.414 ( -37.547 1.719 0.442) 37.589 4.959 ( -40.954 -8.652 -0.165) 41.858 8.937 ( -7.315 0.067 -0.215) 7.319 9.545 ( -14.116 -2.108 -0.066) 14.273 10.823 ( 12.003 0.282 -0.250) 12.009 11.402 ( 2.122 1.833 0.004) 2.804 12.331 ( 0.717 -0.640 0.221) 0.986 12.902 ( 22.449 2.490 -0.032) 22.587 ======================= Grid point 55 (44/670) ======================= q-point: (-0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.821 ( -37.247 -0.000 0.000) 37.247 2.770 ( -39.745 -0.000 0.000) 39.745 4.144 ( -50.508 -0.000 0.000) 50.508 8.822 ( -6.332 -0.000 0.000) 6.332 9.283 ( -15.446 -0.000 0.000) 15.446 11.037 ( 12.883 0.000 -0.000) 12.883 11.444 ( 1.962 0.000 -0.000) 1.962 12.329 ( -0.604 -0.000 0.000) 0.604 13.276 ( 20.248 0.000 -0.000) 20.248 ======================= Grid point 60 (45/670) ======================= q-point: ( 0.16 0.16 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.539 ( -0.000 35.432 1.810) 35.478 2.360 ( -0.000 35.978 2.589) 36.071 3.711 ( -0.000 57.088 -0.601) 57.091 8.740 ( -0.000 4.883 -1.351) 5.067 9.163 ( -0.000 15.873 0.860) 15.896 11.166 ( 0.000 -11.694 -0.055) 11.694 11.443 ( 0.000 -3.097 0.341) 3.116 12.317 ( 0.000 1.726 -1.115) 2.055 13.457 ( 0.000 -18.338 0.697) 18.351 ======================= Grid point 61 (46/670) ======================= q-point: ( 0.21 0.16 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.958 ( 7.156 37.243 0.433) 37.927 2.830 ( 13.803 33.666 2.094) 36.446 4.318 ( 8.935 50.376 -0.766) 51.168 8.808 ( 2.631 5.321 -1.295) 6.076 9.348 ( 3.114 15.610 1.102) 15.956 11.016 ( -3.982 -11.652 0.139) 12.315 11.422 ( 0.907 -3.250 0.345) 3.392 12.325 ( -0.400 1.012 -1.258) 1.663 13.229 ( -5.091 -20.022 0.694) 20.671 ======================= Grid point 62 (47/670) ======================= q-point: ( 0.26 0.16 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.487 ( 12.966 36.857 -1.207) 39.090 3.439 ( 18.979 32.017 1.380) 37.245 4.943 ( 13.417 39.306 -0.965) 41.544 8.919 ( 4.389 6.010 -1.098) 7.523 9.564 ( 5.092 13.642 1.469) 14.635 10.826 ( -5.375 -10.646 0.440) 11.934 11.406 ( 0.432 -2.694 0.347) 2.751 12.314 ( -0.959 -0.332 -1.425) 1.749 12.912 ( -9.188 -20.616 0.673) 22.581 ======================= Grid point 63 (48/670) ======================= q-point: ( 0.32 0.16 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.083 ( 17.073 34.387 -2.477) 38.472 4.058 ( 16.904 31.543 0.797) 35.796 5.503 ( 15.637 26.094 -1.207) 30.444 9.059 ( 4.859 7.095 -0.928) 8.649 9.779 ( 5.761 10.223 2.034) 11.910 10.649 ( -4.447 -8.556 0.761) 9.673 11.381 ( -1.075 -1.702 0.377) 2.048 12.279 ( -1.276 -2.213 -1.606) 3.017 12.540 ( -11.586 -19.703 0.644) 22.866 ======================= Grid point 64 (49/670) ======================= q-point: ( 0.37 0.16 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.694 ( 18.964 30.205 -3.149) 35.804 4.596 ( 10.468 30.925 0.365) 32.651 5.959 ( 16.432 13.269 -1.339) 21.163 9.208 ( 4.087 8.448 -0.833) 9.421 9.954 ( 4.796 5.698 2.730) 7.932 10.526 ( -1.998 -5.918 0.996) 6.325 11.339 ( -2.789 -0.429 0.418) 2.852 12.141 ( -10.721 -16.335 -0.022) 19.538 12.244 ( -2.056 -5.001 -1.183) 5.535 ======================= Grid point 65 (50/670) ======================= q-point: ( 0.42 0.16 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.268 ( 18.257 24.728 -3.140) 30.898 4.995 ( 2.815 28.212 0.041) 28.352 6.308 ( 15.696 4.184 -1.191) 16.288 9.349 ( 2.365 9.734 -0.781) 10.047 10.052 ( 1.942 0.614 3.303) 3.880 10.472 ( 0.796 -4.040 1.037) 4.246 11.286 ( -3.884 1.150 0.454) 4.076 11.813 ( -9.201 -13.909 0.039) 16.677 12.182 ( -0.223 -4.980 -1.506) 5.207 ======================= Grid point 66 (51/670) ======================= q-point: ( 0.47 0.16 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.749 ( 14.656 18.315 -2.390) 23.578 5.239 ( -3.023 23.085 -0.131) 23.282 6.564 ( 12.673 0.288 -0.780) 12.700 9.467 ( 0.123 10.520 -0.703) 10.544 10.048 ( -1.622 -3.382 3.276) 4.980 10.468 ( 2.664 -4.076 0.773) 4.930 11.241 ( -3.987 3.000 0.467) 5.011 11.583 ( -4.411 -9.730 -0.221) 10.686 12.130 ( 0.810 -5.651 -1.295) 5.854 ======================= Grid point 67 (52/670) ======================= q-point: ( 0.53 0.16 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.081 ( 7.953 11.353 -0.953) 13.895 5.356 ( -6.216 18.039 -0.065) 19.080 6.730 ( 7.603 -1.071 -0.319) 7.685 9.550 ( -2.276 10.460 -0.490) 10.716 9.974 ( -2.805 -4.247 2.277) 5.576 10.475 ( 3.271 -5.413 0.179) 6.327 11.215 ( -3.585 4.562 0.388) 5.815 11.470 ( 0.118 -6.780 -0.192) 6.783 12.096 ( 2.063 -5.666 -0.865) 6.091 ======================= Grid point 68 (53/670) ======================= q-point: (-0.42 0.16 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.215 ( -1.493 4.652 0.749) 4.942 5.392 ( -8.520 15.214 0.230) 17.439 6.791 ( 2.137 -3.289 0.040) 3.923 9.585 ( -5.079 9.446 -0.041) 10.725 9.915 ( -0.121 -2.560 0.466) 2.605 10.472 ( 3.181 -6.181 -0.447) 6.966 11.207 ( -3.222 5.218 0.194) 6.135 11.442 ( 3.137 -5.087 0.050) 5.976 12.088 ( 3.441 -5.116 -0.331) 6.174 ======================= Grid point 69 (54/670) ======================= q-point: (-0.37 0.16 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.123 ( -12.053 -0.800 2.084) 12.258 5.364 ( -12.381 14.631 0.536) 19.174 6.738 ( -2.315 -7.249 0.254) 7.614 9.559 ( -7.886 7.644 0.209) 10.985 9.930 ( 3.542 -0.792 -1.006) 3.766 10.460 ( 2.481 -5.632 -0.824) 6.209 11.210 ( -2.342 5.200 0.024) 5.703 11.476 ( 5.982 -3.401 0.232) 6.885 12.109 ( 4.507 -4.279 0.113) 6.216 ======================= Grid point 70 (55/670) ======================= q-point: (-0.32 0.16 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.817 ( -21.929 -4.116 2.621) 22.466 5.250 ( -18.681 14.333 0.648) 23.555 6.579 ( -5.983 -11.100 0.297) 12.613 9.477 ( -9.323 5.512 0.043) 10.831 9.985 ( 3.291 -0.694 -1.346) 3.623 10.445 ( 1.859 -4.127 -0.845) 4.605 11.233 ( -0.627 4.808 -0.043) 4.849 11.589 ( 10.498 -1.143 0.232) 10.562 12.153 ( 4.886 -3.328 0.334) 5.921 ======================= Grid point 71 (56/670) ======================= q-point: (-0.26 0.16 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.342 ( -29.858 -4.875 2.276) 30.339 5.004 ( -26.157 11.470 0.595) 28.567 6.327 ( -11.118 -11.617 0.181) 16.081 9.358 ( -9.711 3.203 -0.115) 10.227 9.993 ( -1.164 -1.360 -0.949) 2.026 10.449 ( 2.976 -2.310 -0.617) 3.817 11.280 ( 0.983 3.829 -0.044) 3.953 11.814 ( 16.402 0.834 0.112) 16.424 12.207 ( 4.558 -2.235 0.335) 5.088 ======================= Grid point 72 (57/670) ======================= q-point: (-0.21 0.16 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.755 ( -35.410 -3.360 1.308) 35.593 4.597 ( -32.286 5.686 0.374) 32.785 5.978 ( -19.722 -7.391 0.028) 21.061 9.218 ( -9.384 1.191 -0.128) 9.460 9.911 ( -6.757 -1.250 -0.368) 6.882 10.508 ( 6.140 -0.789 -0.312) 6.198 11.333 ( 1.806 2.118 -0.020) 2.783 12.142 ( 20.616 1.202 0.038) 20.651 12.263 ( 4.108 -0.978 0.181) 4.227 ======================= Grid point 73 (58/670) ======================= q-point: (-0.16 0.16 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.117 ( -38.457 -0.000 0.000) 38.457 4.047 ( -36.018 -0.000 0.000) 36.018 5.520 ( -30.636 -0.000 0.000) 30.636 9.072 ( -8.534 -0.000 0.000) 8.534 9.750 ( -11.286 -0.000 0.000) 11.286 10.638 ( 9.742 0.000 -0.000) 9.742 11.376 ( 2.037 0.000 -0.000) 2.037 12.302 ( 2.398 0.000 -0.000) 2.398 12.530 ( 22.925 0.000 -0.000) 22.925 ======================= Grid point 80 (59/670) ======================= q-point: ( 0.21 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.276 ( -0.000 39.578 0.230) 39.579 3.031 ( -0.000 31.716 2.338) 31.802 4.739 ( -0.000 49.209 -1.070) 49.221 8.832 ( -0.000 5.378 -1.466) 5.574 9.480 ( -0.000 15.751 1.397) 15.813 10.939 ( 0.000 -11.336 0.166) 11.337 11.375 ( 0.000 -4.125 0.410) 4.145 12.336 ( 0.000 0.902 -1.376) 1.645 13.071 ( 0.000 -21.606 0.741) 21.619 ======================= Grid point 81 (60/670) ======================= q-point: ( 0.26 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.707 ( 5.339 39.738 -0.701) 40.101 3.451 ( 13.439 29.080 1.955) 32.095 5.214 ( 3.159 42.445 -1.297) 42.582 8.907 ( 3.058 5.572 -1.381) 6.504 9.648 ( 1.911 14.233 1.731) 14.464 10.803 ( -3.532 -10.085 0.382) 10.693 11.351 ( 1.728 -4.210 0.414) 4.569 12.328 ( -1.144 0.082 -1.515) 1.900 12.822 ( -4.538 -22.041 0.739) 22.515 ======================= Grid point 82 (61/670) ======================= q-point: ( 0.32 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.206 ( 9.525 37.734 -1.720) 38.956 4.018 ( 20.249 26.744 1.347) 33.573 5.633 ( 3.658 32.340 -1.486) 32.581 9.032 ( 5.397 6.191 -1.212) 8.302 9.819 ( 2.790 11.198 2.205) 11.749 10.646 ( -4.450 -7.872 0.666) 9.067 11.347 ( 1.932 -3.660 0.422) 4.160 12.288 ( -2.365 -1.597 -1.649) 3.296 12.508 ( -7.862 -20.791 0.687) 22.239 ======================= Grid point 83 (62/670) ======================= q-point: ( 0.37 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.734 ( 12.417 33.794 -2.443) 36.086 4.617 ( 19.742 25.235 0.718) 32.048 5.948 ( 3.910 20.705 -1.499) 21.125 9.194 ( 6.329 7.362 -1.072) 9.768 9.961 ( 2.603 6.832 2.820) 7.836 10.519 ( -3.281 -5.217 0.879) 6.225 11.342 ( 0.873 -2.559 0.454) 2.741 12.142 ( -8.659 -16.788 0.023) 18.889 12.243 ( -3.758 -4.797 -1.209) 6.213 ======================= Grid point 84 (63/670) ======================= q-point: ( 0.42 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.249 ( 13.568 28.361 -2.671) 31.553 5.133 ( 12.510 23.342 0.019) 26.483 6.175 ( 6.429 10.704 -1.093) 12.533 9.372 ( 5.596 8.858 -0.995) 10.525 10.045 ( 1.219 1.608 3.417) 3.968 10.442 ( -1.314 -3.410 0.919) 3.768 11.329 ( -0.573 -0.882 0.493) 1.161 11.825 ( -9.006 -15.209 0.163) 17.676 12.153 ( -2.378 -4.100 -1.598) 5.002 ======================= Grid point 85 (64/670) ======================= q-point: ( 0.47 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.708 ( 12.496 21.953 -2.308) 25.366 5.457 ( 2.220 17.777 -0.686) 17.929 6.395 ( 10.130 7.082 -0.284) 12.364 9.538 ( 3.344 9.932 -0.912) 10.520 10.049 ( -0.989 -2.796 3.595) 4.661 10.405 ( 0.361 -3.660 0.729) 3.749 11.312 ( -1.607 1.252 0.509) 2.100 11.569 ( -6.076 -11.086 -0.135) 12.642 12.075 ( -1.111 -4.999 -1.424) 5.316 ======================= Grid point 86 (65/670) ======================= q-point: ( 0.53 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.064 ( 8.775 15.084 -1.359) 17.504 5.575 ( -2.807 10.539 -0.857) 10.940 6.630 ( 7.992 7.910 0.275) 11.248 9.661 ( 0.346 8.980 -0.557) 9.004 9.993 ( -2.584 -3.196 2.808) 4.978 10.379 ( 1.533 -5.461 0.266) 5.679 11.304 ( -2.086 3.168 0.454) 3.821 11.410 ( -1.896 -7.981 -0.232) 8.206 12.016 ( 0.521 -5.267 -1.044) 5.394 ======================= Grid point 87 (66/670) ======================= q-point: ( 0.58 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.271 ( 2.249 8.400 -0.053) 8.696 5.601 ( -3.203 6.884 -0.557) 7.613 6.782 ( 0.968 6.683 0.447) 6.768 9.717 ( -1.437 4.974 0.370) 5.191 9.937 ( -3.318 1.196 0.827) 3.622 10.355 ( 2.796 -6.624 -0.270) 7.195 11.303 ( -2.480 4.030 0.269) 4.739 11.342 ( 1.852 -6.194 -0.040) 6.465 11.987 ( 2.293 -4.846 -0.558) 5.390 ======================= Grid point 88 (67/670) ======================= q-point: (-0.37 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.293 ( -6.454 2.843 1.039) 7.128 5.610 ( -3.611 6.866 -0.115) 7.758 6.782 ( -6.224 2.117 0.417) 6.588 9.725 ( -2.637 3.356 0.986) 4.381 9.908 ( -2.452 2.839 -0.939) 3.867 10.348 ( 3.748 -5.884 -0.575) 7.000 11.299 ( -2.603 3.863 0.072) 4.659 11.347 ( 4.742 -4.471 0.156) 6.519 11.996 ( 3.911 -3.962 -0.123) 5.568 ======================= Grid point 89 (68/670) ======================= q-point: (-0.32 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.118 ( -15.800 -0.639 1.418) 15.877 5.597 ( -7.613 8.456 0.220) 11.381 6.630 ( -10.255 -3.781 0.270) 10.933 9.680 ( -7.753 4.220 0.600) 8.848 9.919 ( 2.460 0.308 -1.180) 2.746 10.361 ( 3.442 -3.826 -0.556) 5.176 11.294 ( -1.869 3.237 -0.020) 3.738 11.418 ( 7.899 -2.393 0.182) 8.256 12.039 ( 4.975 -2.812 0.116) 5.715 ======================= Grid point 90 (69/670) ======================= q-point: (-0.26 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.772 ( -24.210 -1.520 1.005) 24.279 5.476 ( -17.282 7.139 0.263) 18.700 6.404 ( -10.053 -5.770 0.092) 11.592 9.557 ( -10.360 2.304 0.090) 10.614 9.967 ( 2.682 -0.432 -0.587) 2.779 10.384 ( 2.681 -1.636 -0.313) 3.156 11.301 ( -0.297 1.939 -0.030) 1.962 11.573 ( 12.360 -0.499 0.090) 12.370 12.105 ( 5.274 -1.432 0.134) 5.466 ======================= Grid point 91 (70/670) ======================= q-point: (-0.21 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.300 ( -30.854 -0.000 0.000) 30.854 5.134 ( -27.300 -0.000 0.000) 27.300 6.199 ( -11.707 -0.000 0.000) 11.707 9.391 ( -10.410 -0.000 0.000) 10.410 9.976 ( -1.606 -0.000 0.000) 1.606 10.424 ( 3.447 0.000 -0.000) 3.447 11.319 ( 1.083 0.000 -0.000) 1.083 11.823 ( 17.424 0.000 -0.000) 17.424 12.184 ( 4.807 0.000 -0.000) 4.807 ======================= Grid point 100 (71/670) ======================= q-point: ( 0.26 0.26 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.053 ( -0.000 40.356 -0.985) 40.369 3.608 ( -0.000 26.543 2.042) 26.621 5.591 ( -0.000 39.310 -1.526) 39.340 8.927 ( -0.000 5.219 -1.408) 5.406 9.773 ( -0.000 13.130 2.012) 13.283 10.744 ( 0.000 -8.741 0.480) 8.754 11.290 ( 0.000 -4.781 0.452) 4.802 12.335 ( 0.000 -0.284 -1.609) 1.633 12.646 ( 0.000 -22.125 0.727) 22.137 ======================= Grid point 101 (72/670) ======================= q-point: ( 0.32 0.26 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.466 ( 3.705 38.812 -1.573) 39.020 3.971 ( 13.126 23.514 1.679) 26.982 5.933 ( -0.792 32.415 -1.689) 32.468 9.004 ( 3.653 5.211 -1.289) 6.493 9.903 ( 0.836 10.509 2.395) 10.811 10.643 ( -2.971 -6.493 0.693) 7.174 11.266 ( 2.340 -4.680 0.452) 5.252 12.303 ( -2.041 -3.498 -1.493) 4.317 12.411 ( -3.652 -18.507 0.445) 18.869 ======================= Grid point 102 (73/670) ======================= q-point: ( 0.37 0.26 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.907 ( 6.458 35.251 -2.097) 35.899 4.481 ( 20.816 20.266 1.071) 29.071 6.169 ( -3.010 23.797 -1.675) 24.045 9.142 ( 6.707 5.776 -1.134) 8.924 10.008 ( 0.732 6.548 2.891) 7.195 10.537 ( -3.667 -3.811 0.866) 5.359 11.273 ( 3.158 -4.014 0.460) 5.129 12.103 ( -6.482 -17.858 0.300) 19.000 12.267 ( -3.561 -2.563 -1.549) 4.653 ======================= Grid point 103 (74/670) ======================= q-point: ( 0.42 0.26 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.343 ( 8.306 30.014 -2.341) 31.230 5.027 ( 21.356 16.608 0.315) 27.055 6.294 ( -3.688 16.056 -1.263) 16.523 9.328 ( 8.212 6.916 -1.033) 10.786 10.063 ( -0.209 1.625 3.400) 3.774 10.456 ( -3.044 -1.948 0.880) 3.720 11.292 ( 2.724 -2.674 0.487) 3.848 11.821 ( -7.722 -14.765 0.187) 16.664 12.172 ( -4.159 -2.836 -1.639) 5.294 ======================= Grid point 104 (75/670) ======================= q-point: ( 0.47 0.26 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.743 ( 8.900 23.639 -2.162) 25.351 5.463 ( 13.093 10.645 -0.699) 16.889 6.397 ( 1.293 12.931 -0.242) 12.998 9.533 ( 7.448 8.159 -1.012) 11.094 10.051 ( -1.397 -2.888 3.669) 4.874 10.395 ( -2.362 -2.164 0.696) 3.278 11.315 ( 1.763 -0.685 0.499) 1.956 11.573 ( -6.960 -10.597 -0.087) 12.678 12.069 ( -3.652 -3.577 -1.457) 5.315 ======================= Grid point 105 (76/670) ======================= q-point: ( 0.53 0.26 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.076 ( 7.697 16.768 -1.536) 18.514 5.643 ( 2.030 3.177 -1.299) 3.987 6.612 ( 7.442 14.052 0.636) 15.914 9.706 ( 3.503 7.252 -0.748) 8.088 10.001 ( -0.945 -3.363 3.140) 4.697 10.332 ( -1.689 -4.125 0.323) 4.469 11.340 ( 0.648 1.251 0.413) 1.468 11.388 ( -4.579 -7.419 -0.193) 8.720 11.980 ( -2.070 -3.887 -1.101) 4.539 ======================= Grid point 106 (77/670) ======================= q-point: ( 0.58 0.26 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.305 ( 4.205 10.118 -0.604) 10.974 5.653 ( -0.579 -0.106 -1.015) 1.173 6.852 ( 3.755 12.642 0.716) 13.208 9.756 ( -1.171 0.291 0.672) 1.382 10.007 ( 0.049 3.959 0.889) 4.058 10.268 ( -0.044 -5.612 -0.087) 5.612 11.273 ( -1.146 -5.869 -0.173) 5.982 11.362 ( -0.523 2.397 0.344) 2.478 11.923 ( 0.048 -3.581 -0.654) 3.641 ======================= Grid point 107 (78/670) ======================= q-point: (-0.37 0.26 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.399 ( -1.686 4.573 0.235) 4.879 5.649 ( 0.887 -0.048 -0.530) 1.035 6.947 ( -5.116 8.023 0.517) 9.530 9.734 ( 0.077 -1.498 0.889) 1.744 10.031 ( -3.972 5.770 -0.341) 7.013 10.235 ( 2.595 -4.894 -0.301) 5.547 11.237 ( 2.715 -4.313 0.015) 5.096 11.368 ( -1.653 2.343 0.148) 2.871 11.910 ( 2.181 -2.734 -0.249) 3.506 ======================= Grid point 108 (79/670) ======================= q-point: (-0.32 0.26 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.335 ( -9.285 0.981 0.465) 9.348 5.677 ( 1.476 1.175 -0.110) 1.889 6.840 ( -13.143 2.267 0.242) 13.340 9.744 ( 1.504 -0.269 0.509) 1.610 9.977 ( -6.638 2.858 -0.558) 7.249 10.259 ( 4.397 -2.491 -0.250) 5.059 11.280 ( 5.889 -1.964 0.073) 6.208 11.354 ( -2.154 1.464 0.024) 2.604 11.941 ( 3.948 -1.502 -0.019) 4.224 ======================= Grid point 109 (80/670) ======================= q-point: (-0.26 0.26 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.116 ( -17.151 -0.000 0.000) 17.151 5.680 ( -3.784 -0.000 0.000) 3.784 6.596 ( -15.224 -0.000 0.000) 15.224 9.722 ( -6.369 -0.000 0.000) 6.369 9.921 ( 0.611 0.000 -0.000) 0.611 10.320 ( 3.924 0.000 -0.000) 3.924 11.327 ( -1.576 -0.000 0.000) 1.576 11.394 ( 8.683 0.000 -0.000) 8.683 12.010 ( 5.054 0.000 -0.000) 5.054 ======================= Grid point 120 (81/670) ======================= q-point: ( 0.32 0.32 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.805 ( -0.000 37.653 -1.830) 37.698 4.077 ( -0.000 20.722 1.697) 20.792 6.235 ( -0.000 28.097 -1.824) 28.156 9.015 ( -0.000 4.519 -1.217) 4.680 9.996 ( -0.000 8.251 2.662) 8.670 10.618 ( 0.000 -4.486 0.823) 4.561 11.199 ( 0.000 -4.797 0.456) 4.818 12.216 ( 0.000 -17.738 0.205) 17.739 12.336 ( 0.000 -2.978 -1.415) 3.297 ======================= Grid point 121 (82/670) ======================= q-point: ( 0.37 0.32 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.170 ( 2.273 34.375 -2.073) 34.513 4.377 ( 12.587 17.443 1.297) 21.550 6.446 ( -3.247 21.704 -1.802) 22.019 9.091 ( 4.403 4.366 -1.071) 6.292 10.068 ( -0.102 4.724 2.991) 5.592 10.565 ( -2.520 -2.068 0.942) 3.393 11.180 ( 2.754 -4.379 0.447) 5.192 12.017 ( -3.268 -16.672 0.297) 16.992 12.294 ( -2.264 -1.615 -1.687) 3.253 ======================= Grid point 122 (83/670) ======================= q-point: ( 0.42 0.32 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.526 ( 3.885 29.286 -2.155) 29.621 4.813 ( 20.055 13.578 0.673) 24.229 6.538 ( -6.245 15.409 -1.480) 16.692 9.240 ( 8.218 4.868 -0.938) 9.598 10.094 ( -0.999 0.438 3.283) 3.459 10.505 ( -3.554 -0.260 0.916) 3.680 11.203 ( 4.130 -3.383 0.456) 5.358 11.799 ( -5.495 -12.828 0.102) 13.956 12.217 ( -4.169 -2.004 -1.624) 4.903 ======================= Grid point 123 (84/670) ======================= q-point: ( 0.47 0.32 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.848 ( 5.029 22.890 -1.981) 23.520 5.267 ( 19.502 8.580 -0.094) 21.306 6.558 ( -5.091 11.739 -0.732) 12.816 9.447 ( 10.207 5.840 -0.903) 11.794 10.061 ( -2.189 -3.470 3.394) 5.325 10.442 ( -4.152 -0.268 0.703) 4.220 11.251 ( 4.292 -1.755 0.461) 4.660 11.593 ( -6.458 -8.664 -0.109) 10.807 12.112 ( -5.045 -2.403 -1.398) 5.760 ======================= Grid point 124 (85/670) ======================= q-point: ( 0.53 0.32 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.121 ( 5.439 15.895 -1.481) 16.865 5.570 ( 9.318 2.276 -0.852) 9.630 6.647 ( 3.288 11.665 0.231) 12.122 9.670 ( 8.696 6.498 -1.004) 10.902 9.987 ( -1.839 -5.257 3.203) 6.425 10.359 ( -4.693 -1.880 0.352) 5.068 11.311 ( 3.550 -0.047 0.395) 3.572 11.417 ( -6.250 -5.546 -0.200) 8.358 12.003 ( -4.488 -2.471 -1.032) 5.226 ======================= Grid point 125 (86/670) ======================= q-point: ( 0.58 0.32 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.324 ( 4.519 9.141 -0.771) 10.226 5.641 ( 0.752 -1.131 -0.859) 1.607 6.868 ( 8.010 10.320 0.533) 13.075 9.783 ( -1.172 0.863 0.122) 1.461 9.988 ( 5.360 0.796 1.345) 5.583 10.258 ( -3.997 -3.239 0.024) 5.144 11.276 ( -4.801 -3.827 -0.197) 6.143 11.366 ( 2.099 0.910 0.308) 2.309 11.917 ( -2.683 -2.079 -0.600) 3.447 ======================= Grid point 126 (87/670) ======================= q-point: ( 0.63 0.32 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.438 ( 1.762 3.579 -0.138) 3.991 5.627 ( 0.123 -1.046 -0.422) 1.134 7.047 ( 2.406 5.684 0.320) 6.180 9.737 ( -2.079 -1.181 0.515) 2.446 10.090 ( 2.142 2.654 0.006) 3.411 10.185 ( -0.880 -2.255 -0.056) 2.421 11.190 ( -1.434 -2.373 -0.053) 2.774 11.396 ( 0.290 0.884 0.121) 0.938 11.874 ( -0.284 -1.238 -0.218) 1.289 ======================= Grid point 127 (88/670) ======================= q-point: (-0.32 0.32 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.445 ( -3.104 -0.000 0.000) 3.104 5.640 ( 2.184 0.000 -0.000) 2.184 7.035 ( -7.073 -0.000 0.000) 7.073 9.718 ( 0.516 0.000 -0.000) 0.516 10.091 ( -3.707 -0.000 0.000) 3.707 10.185 ( 2.268 0.000 -0.000) 2.268 11.192 ( 3.010 0.000 -0.000) 3.010 11.392 ( -1.342 -0.000 0.000) 1.342 11.883 ( 2.069 0.000 -0.000) 2.069 ======================= Grid point 140 (89/670) ======================= q-point: ( 0.37 0.37 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.428 ( -0.000 14.616 1.290) 14.673 4.467 ( -0.000 31.351 -2.188) 31.428 6.661 ( -0.000 17.237 -1.778) 17.328 9.086 ( -0.000 3.436 -0.932) 3.560 10.111 ( -0.000 1.846 3.078) 3.589 10.579 ( -0.000 -0.218 1.029) 1.052 11.114 ( 0.000 -4.062 0.403) 4.082 11.896 ( 0.000 -13.729 0.142) 13.730 12.294 ( 0.000 -1.473 -1.668) 2.225 ======================= Grid point 141 (90/670) ======================= q-point: ( 0.42 0.37 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.660 ( 11.688 11.351 0.976) 16.322 4.753 ( 1.258 26.263 -2.155) 26.381 6.762 ( -4.369 12.272 -1.513) 13.114 9.159 ( 5.244 3.178 -0.773) 6.181 10.116 ( -0.885 -1.315 3.047) 3.435 10.565 ( -2.494 1.141 0.977) 2.911 11.107 ( 3.133 -3.266 0.381) 4.542 11.758 ( -2.755 -9.902 -0.035) 10.279 12.254 ( -2.559 -1.582 -1.514) 3.369 ======================= Grid point 142 (91/670) ======================= q-point: ( 0.47 0.37 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.987 ( 5.466 16.594 -1.025) 17.501 5.026 ( 14.925 10.668 -0.362) 18.349 6.758 ( -6.729 8.374 -0.981) 10.787 9.317 ( 9.766 3.491 -0.667) 10.393 10.073 ( -2.242 -3.716 2.804) 5.167 10.522 ( -4.325 1.125 0.718) 4.527 11.153 ( 5.001 -1.942 0.378) 5.378 11.616 ( -4.760 -6.182 -0.153) 7.803 12.172 ( -4.627 -1.649 -1.225) 5.062 ======================= Grid point 143 (92/670) ======================= q-point: ( 0.53 0.37 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.186 ( 3.022 12.340 -1.169) 12.759 5.378 ( 16.121 3.458 -0.201) 16.489 6.733 ( -3.101 6.391 -0.288) 7.109 9.539 ( 12.132 3.926 -0.671) 12.769 9.991 ( -3.342 -4.559 2.326) 6.112 10.443 ( -5.895 -0.030 0.364) 5.906 11.231 ( 5.390 -0.573 0.313) 5.430 11.479 ( -6.032 -3.408 -0.172) 6.930 12.067 ( -5.493 -1.454 -0.822) 5.741 ======================= Grid point 144 (93/670) ======================= q-point: ( 0.58 0.37 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.325 ( 3.615 5.566 -0.537) 6.659 5.584 ( 6.254 0.191 -0.351) 6.266 6.811 ( 6.028 4.546 0.135) 7.551 9.768 ( 8.850 3.799 -0.886) 9.672 9.906 ( -0.769 -3.839 1.758) 4.292 10.332 ( -6.631 -0.875 0.081) 6.689 11.314 ( 4.340 0.154 0.143) 4.345 11.348 ( -6.355 -1.653 -0.079) 6.567 11.965 ( -4.820 -0.896 -0.377) 4.917 ======================= Grid point 145 (94/670) ======================= q-point: (-0.37 -0.63 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.411 ( 3.425 0.000 -0.000) 3.425 5.624 ( 0.091 0.000 -0.000) 0.091 6.974 ( 8.675 0.000 -0.000) 8.675 9.782 ( -3.588 -0.000 0.000) 3.588 10.008 ( 8.740 0.000 -0.000) 8.740 10.224 ( -5.005 -0.000 0.000) 5.005 11.238 ( -5.252 -0.000 0.000) 5.252 11.376 ( 2.561 0.000 -0.000) 2.561 11.895 ( -2.864 -0.000 0.000) 2.864 ======================= Grid point 161 (95/670) ======================= q-point: ( 0.42 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.658 ( -0.000 8.589 0.813) 8.628 4.971 ( -0.000 21.242 -1.852) 21.322 6.898 ( -0.000 8.600 -1.293) 8.697 9.136 ( -0.000 2.130 -0.584) 2.208 10.112 ( -0.000 -2.765 2.629) 3.815 10.606 ( -0.000 1.901 0.931) 2.116 11.050 ( 0.000 -2.691 0.282) 2.706 11.700 ( 0.000 -6.673 -0.137) 6.674 12.258 ( 0.000 -1.333 -1.278) 1.847 ======================= Grid point 162 (96/670) ======================= q-point: ( 0.47 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.825 ( 11.102 5.471 0.480) 12.387 5.143 ( 0.351 14.533 -1.369) 14.602 6.921 ( -4.601 5.259 -0.856) 7.039 9.204 ( 6.018 1.716 -0.415) 6.272 10.077 ( -1.417 -3.211 1.997) 4.038 10.601 ( -2.929 1.584 0.647) 3.392 11.061 ( 3.592 -1.644 0.235) 3.957 11.629 ( -2.452 -3.792 -0.158) 4.518 12.220 ( -2.738 -1.077 -0.914) 3.081 ======================= Grid point 163 (97/670) ======================= q-point: ( 0.53 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.108 ( 16.668 2.374 0.113) 16.836 5.257 ( 1.362 7.031 -0.692) 7.195 6.859 ( -6.221 2.633 -0.338) 6.764 9.363 ( 10.954 1.366 -0.263) 11.042 10.017 ( -2.965 -2.308 1.138) 3.926 10.543 ( -5.231 0.561 0.268) 5.268 11.131 ( 5.622 -0.537 0.159) 5.650 11.544 ( -4.494 -1.613 -0.100) 4.776 12.144 ( -4.837 -0.661 -0.463) 4.903 ======================= Grid point 164 (98/670) ======================= q-point: (-0.42 -0.58 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.301 ( 2.941 0.000 -0.000) 2.941 5.411 ( 13.987 0.000 -0.000) 13.987 6.795 ( -1.898 -0.000 0.000) 1.898 9.578 ( 13.299 0.000 -0.000) 13.299 9.946 ( -4.038 -0.000 0.000) 4.038 10.444 ( -6.725 -0.000 0.000) 6.725 11.227 ( 5.784 0.000 -0.000) 5.784 11.447 ( -6.008 -0.000 0.000) 6.008 12.050 ( -5.618 -0.000 0.000) 5.618 ======================= Grid point 182 (99/670) ======================= q-point: ( 0.47 0.47 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.771 ( -0.000 2.818 0.279) 2.832 5.247 ( -0.000 7.606 -0.741) 7.642 6.997 ( -0.000 2.513 -0.471) 2.556 9.162 ( -0.000 0.719 -0.199) 0.746 10.069 ( -0.000 -1.923 1.049) 2.190 10.643 ( -0.000 1.070 0.386) 1.138 11.016 ( 0.000 -0.937 0.102) 0.942 11.622 ( 0.000 -1.737 -0.100) 1.740 12.233 ( 0.000 -0.556 -0.486) 0.739 ======================= Grid point 183 (100/670) ======================= q-point: (-0.47 -0.53 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.879 ( 10.823 0.000 -0.000) 10.823 5.283 ( 0.051 0.000 -0.000) 0.051 6.968 ( -4.577 -0.000 0.000) 4.577 9.219 ( 6.365 0.000 -0.000) 6.365 10.047 ( -1.617 -0.000 0.000) 1.617 10.620 ( -3.234 -0.000 0.000) 3.234 11.046 ( 3.848 0.000 -0.000) 3.848 11.594 ( -2.367 -0.000 0.000) 2.367 12.206 ( -2.798 -0.000 0.000) 2.798 ======================= Grid point 387 (101/670) ======================= q-point: ( 0.05 0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 670 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.126 ( -0.000 0.000 14.784) 14.784 0.126 ( -0.000 0.000 14.784) 14.784 0.180 ( -0.000 0.000 21.099) 21.099 8.591 ( 0.000 -0.000 -0.402) 0.402 8.591 ( 0.000 -0.000 -0.402) 0.402 11.527 ( -0.000 0.000 0.127) 0.127 11.527 ( -0.000 0.000 0.127) 0.127 12.230 ( 0.000 -0.000 -0.442) 0.442 14.073 ( -0.000 0.000 0.244) 0.244 ======================= Grid point 388 (102/670) ======================= q-point: ( 0.11 0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.428 ( 15.436 8.912 8.731) 19.848 0.809 ( 35.010 20.213 1.660) 40.460 1.322 ( 56.886 32.843 2.754) 65.744 8.613 ( 1.970 1.137 -0.245) 2.287 8.662 ( 6.401 3.696 -0.571) 7.413 11.517 ( -0.855 -0.494 0.122) 0.995 11.531 ( -4.394 -2.537 -1.064) 5.184 12.244 ( 1.484 0.857 -0.858) 1.917 13.962 ( -6.503 -3.755 1.411) 7.641 ======================= Grid point 389 (103/670) ======================= q-point: ( 0.16 0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.875 ( 23.168 13.376 1.991) 26.826 1.584 ( 33.765 19.494 0.549) 38.992 2.574 ( 54.184 31.283 1.488) 62.584 8.675 ( 3.493 2.017 -0.138) 4.036 8.862 ( 11.309 6.529 -0.442) 13.066 11.382 ( -8.335 -4.812 -0.004) 9.624 11.488 ( -1.770 -1.022 0.117) 2.047 12.281 ( 1.864 1.076 -1.042) 2.391 13.763 ( -11.573 -6.682 0.763) 13.385 ======================= Grid point 390 (104/670) ======================= q-point: ( 0.21 0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.467 ( 29.522 17.044 -1.705) 34.131 2.312 ( 31.111 17.962 0.223) 35.924 3.737 ( 49.291 28.458 0.639) 56.920 8.765 ( 4.471 2.581 -0.101) 5.163 9.147 ( 13.799 7.967 0.033) 15.933 11.175 ( -9.880 -5.704 0.423) 11.416 11.438 ( -2.756 -1.591 0.114) 3.184 12.316 ( 1.482 0.856 -1.172) 2.074 13.454 ( -15.974 -9.223 0.571) 18.454 ======================= Grid point 391 (105/670) ======================= q-point: ( 0.26 0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.166 ( 33.247 19.195 -3.716) 38.570 2.969 ( 27.458 15.853 0.136) 31.706 4.766 ( 42.457 24.513 -0.136) 49.026 8.869 ( 4.820 2.783 -0.130) 5.567 9.461 ( 13.858 8.001 0.750) 16.019 10.957 ( -9.469 -5.467 0.796) 10.962 11.366 ( -3.676 -2.122 0.117) 4.246 12.339 ( 0.811 0.468 -1.309) 1.609 13.063 ( -18.844 -10.880 0.482) 21.765 ======================= Grid point 392 (106/670) ======================= q-point: ( 0.32 0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.911 ( 33.973 19.615 -4.663) 39.505 3.535 ( 23.003 13.281 0.175) 26.563 5.621 ( 33.861 19.549 -0.835) 39.108 8.975 ( 4.592 2.651 -0.198) 5.306 9.754 ( 11.715 6.763 1.589) 13.620 10.771 ( -7.158 -4.133 1.173) 8.349 11.277 ( -4.291 -2.477 0.124) 4.956 12.344 ( -0.035 -0.020 -1.473) 1.473 12.632 ( -19.391 -11.195 0.440) 22.395 ======================= Grid point 393 (107/670) ======================= q-point: ( 0.37 0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.637 ( 31.713 18.309 -4.806) 36.933 3.994 ( 17.983 10.383 0.281) 20.767 6.267 ( 24.155 13.946 -1.342) 27.924 9.070 ( 3.917 2.262 -0.277) 4.532 9.978 ( 7.461 4.307 2.418) 8.948 10.654 ( -3.481 -2.010 1.457) 4.275 11.179 ( -4.354 -2.514 0.136) 5.030 12.208 ( -16.594 -9.581 -0.041) 19.162 12.343 ( -1.168 -0.674 -1.226) 1.823 ======================= Grid point 394 (108/670) ======================= q-point: ( 0.42 0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.280 ( 26.485 15.291 -4.146) 30.863 4.338 ( 12.701 7.333 0.404) 14.671 6.696 ( 14.840 8.568 -1.486) 17.201 9.146 ( 2.954 1.706 -0.340) 3.428 10.088 ( 1.611 0.930 2.941) 3.479 10.623 ( 0.124 0.072 1.470) 1.477 11.088 ( -3.740 -2.159 0.156) 4.322 11.881 ( -11.813 -6.821 -0.134) 13.642 12.320 ( -0.890 -0.514 -1.348) 1.695 ======================= Grid point 395 (109/670) ======================= q-point: ( 0.47 0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.565 ( 7.460 4.307 0.506) 8.629 4.776 ( 18.225 10.522 -2.581) 21.202 6.938 ( 7.526 4.345 -1.205) 8.773 9.199 ( 1.835 1.059 -0.379) 2.152 10.076 ( -2.762 -1.595 2.652) 4.148 10.652 ( 1.692 0.977 1.020) 2.204 11.018 ( -2.515 -1.452 0.188) 2.910 11.688 ( -5.550 -3.204 -0.268) 6.414 12.297 ( -0.744 -0.429 -1.087) 1.386 ======================= Grid point 396 (110/670) ======================= q-point: ( 0.53 0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.676 ( 2.416 1.395 0.580) 2.849 5.060 ( 7.131 4.117 -0.203) 8.236 7.043 ( 2.409 1.391 -0.645) 2.856 9.226 ( 0.646 0.373 -0.404) 0.848 10.016 ( -2.326 -1.343 1.386) 3.022 10.684 ( 0.682 0.394 0.126) 0.797 10.980 ( -0.894 -0.516 0.225) 1.056 11.616 ( -1.327 -0.766 -0.112) 1.537 12.284 ( -0.136 -0.078 -0.600) 0.620 ======================= Grid point 397 (111/670) ======================= q-point: (-0.42 0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.677 ( -2.513 -1.451 0.652) 2.974 5.082 ( -5.460 -3.152 2.353) 6.729 7.048 ( -1.855 -1.071 -0.031) 2.142 9.225 ( -0.564 -0.326 -0.433) 0.782 10.002 ( 0.957 0.553 -0.264) 1.137 10.676 ( -1.315 -0.759 -0.826) 1.729 10.980 ( 0.856 0.494 0.255) 1.021 11.618 ( 1.513 0.873 0.147) 1.753 12.289 ( 0.637 0.368 -0.046) 0.737 ======================= Grid point 398 (112/670) ======================= q-point: (-0.37 0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.567 ( -7.536 -4.351 0.753) 8.735 4.835 ( -17.121 -9.885 4.198) 20.210 6.952 ( -7.129 -4.116 0.416) 8.243 9.198 ( -1.764 -1.018 -0.483) 2.093 10.041 ( 2.021 1.167 -1.396) 2.719 10.631 ( -2.043 -1.179 -1.402) 2.744 11.018 ( 2.471 1.426 0.264) 2.865 11.693 ( 5.570 3.216 0.290) 6.439 12.310 ( 1.102 0.636 0.364) 1.324 ======================= Grid point 399 (113/670) ======================= q-point: (-0.32 0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.343 ( -12.756 -7.365 0.894) 14.757 4.360 ( -26.051 -15.041 4.965) 30.489 6.714 ( -14.729 -8.504 0.509) 17.015 9.144 ( -2.898 -1.673 -0.563) 3.393 10.049 ( -1.596 -0.921 -1.554) 2.411 10.597 ( -0.154 -0.089 -1.486) 1.497 11.089 ( 3.690 2.131 0.250) 4.269 11.885 ( 11.666 6.735 0.241) 13.473 12.336 ( 1.064 0.614 0.540) 1.342 ======================= Grid point 400 (114/670) ======================= q-point: (-0.26 0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.722 ( -31.794 -18.356 4.859) 37.032 4.001 ( -18.038 -10.414 1.056) 20.856 6.281 ( -24.312 -14.037 0.236) 28.075 9.067 ( -3.869 -2.234 -0.662) 4.516 9.948 ( -7.063 -4.078 -0.992) 8.216 10.630 ( 3.648 2.106 -1.271) 4.400 11.180 ( 4.304 2.485 0.221) 4.975 12.210 ( 16.795 9.697 0.142) 19.394 12.358 ( 0.879 0.507 0.513) 1.137 ======================= Grid point 401 (115/670) ======================= q-point: (-0.21 0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.989 ( -34.451 -19.890 4.205) 40.002 3.544 ( -23.086 -13.329 1.211) 26.685 5.626 ( -34.157 -19.720 -0.206) 39.441 8.970 ( -4.534 -2.618 -0.753) 5.290 9.738 ( -11.282 -6.514 -0.283) 13.031 10.752 ( 7.412 4.279 -0.922) 8.608 11.278 ( 4.245 2.451 0.191) 4.905 12.361 ( 0.011 0.006 0.411) 0.411 12.628 ( 19.330 11.160 0.070) 22.321 ======================= Grid point 402 (116/670) ======================= q-point: (-0.16 0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.227 ( -34.135 -19.708 3.258) 39.550 2.980 ( -27.592 -15.930 1.354) 31.889 4.762 ( -42.790 -24.705 -0.605) 49.413 8.863 ( -4.733 -2.733 -0.807) 5.525 9.457 ( -13.507 -7.798 0.262) 15.599 10.945 ( 9.715 5.609 -0.571) 11.232 11.367 ( 3.634 2.098 0.167) 4.200 12.352 ( -0.810 -0.468 0.234) 0.964 13.060 ( 18.756 10.829 0.061) 21.657 ======================= Grid point 403 (117/670) ======================= q-point: (-0.11 0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.503 ( -30.954 -17.871 2.305) 35.817 2.324 ( -31.313 -18.079 1.526) 36.190 3.724 ( -49.624 -28.651 -0.832) 57.307 8.758 ( -4.338 -2.504 -0.798) 5.072 9.151 ( -13.584 -7.843 0.536) 15.694 11.169 ( 10.095 5.828 -0.305) 11.660 11.439 ( 2.717 1.568 0.150) 3.140 12.327 ( -1.473 -0.850 0.031) 1.701 13.450 ( 15.861 9.157 0.082) 18.315 ======================= Grid point 404 (118/670) ======================= q-point: (-0.05 0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.876 ( -25.309 -14.612 2.108) 29.300 1.596 ( -34.073 -19.672 1.859) 39.388 2.554 ( -54.530 -31.483 -0.762) 62.971 8.670 ( -3.310 -1.911 -0.715) 3.888 8.870 ( -11.276 -6.510 0.491) 13.030 11.380 ( 8.577 4.952 -0.190) 9.905 11.489 ( 1.732 1.000 0.139) 2.005 12.289 ( -1.854 -1.070 -0.204) 2.150 13.758 ( 11.413 6.590 0.202) 13.181 ======================= Grid point 407 (119/670) ======================= q-point: ( 0.11 0.11 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.469 ( -0.000 17.272 10.707) 20.321 0.854 ( -0.000 40.082 4.702) 40.357 1.305 ( -0.000 65.312 1.576) 65.331 8.604 ( 0.000 1.900 -0.919) 2.110 8.668 ( -0.000 7.762 -0.138) 7.763 11.519 ( 0.000 -0.927 0.247) 0.959 11.527 ( 0.000 -4.855 -1.237) 5.010 12.242 ( 0.000 1.706 -0.998) 1.976 13.966 ( 0.000 -7.715 1.578) 7.875 ======================= Grid point 408 (120/670) ======================= q-point: ( 0.16 0.11 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.770 ( 10.529 21.401 5.255) 24.423 1.424 ( 18.610 36.448 2.341) 40.992 2.227 ( 32.439 53.498 1.250) 62.577 8.647 ( 2.423 2.728 -0.797) 3.735 8.803 ( 5.379 10.605 -0.130) 11.892 11.423 ( -4.338 -7.835 -0.288) 8.960 11.504 ( -0.782 -1.145 0.218) 1.404 12.267 ( 1.030 1.825 -1.194) 2.412 13.831 ( -5.969 -10.284 1.036) 11.936 ======================= Grid point 409 (121/670) ======================= q-point: ( 0.21 0.11 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.254 ( 19.276 24.527 0.456) 31.199 2.117 ( 22.383 32.669 1.138) 39.618 3.310 ( 39.775 41.789 0.673) 57.696 8.727 ( 3.626 3.636 -0.584) 5.168 9.041 ( 9.710 11.623 0.117) 15.145 11.242 ( -6.915 -9.280 0.205) 11.575 11.471 ( -2.037 -0.957 0.223) 2.261 12.298 ( 1.245 1.174 -1.318) 2.160 13.578 ( -11.066 -12.719 0.767) 16.876 ======================= Grid point 410 (122/670) ======================= q-point: ( 0.26 0.11 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.877 ( 25.683 26.052 -2.440) 36.664 2.790 ( 21.101 29.796 0.679) 36.518 4.339 ( 39.462 32.273 -0.049) 50.978 8.831 ( 4.081 4.410 -0.494) 6.029 9.336 ( 11.798 11.031 0.705) 16.167 11.028 ( -7.546 -9.413 0.575) 12.078 11.418 ( -3.464 -0.707 0.231) 3.543 12.320 ( 1.053 0.184 -1.433) 1.787 13.227 ( -14.980 -14.413 0.632) 20.798 ======================= Grid point 411 (123/670) ======================= q-point: ( 0.32 0.11 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.584 ( 29.146 25.762 -3.901) 39.095 3.394 ( 17.725 26.973 0.528) 32.280 5.238 ( 35.180 23.560 -0.760) 42.347 8.942 ( 3.863 4.960 -0.493) 6.306 9.637 ( 11.564 9.198 1.480) 14.849 10.825 ( -6.273 -8.279 0.936) 10.429 11.344 ( -4.762 -0.440 0.246) 4.789 12.328 ( 0.705 -0.898 -1.563) 1.936 12.814 ( -17.064 -14.949 0.562) 22.693 ======================= Grid point 412 (124/670) ======================= q-point: ( 0.37 0.11 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.309 ( 29.534 23.789 -4.366) 38.174 3.902 ( 13.287 23.833 0.525) 27.291 5.957 ( 28.329 15.245 -1.331) 32.198 9.049 ( 3.072 5.310 -0.531) 6.157 9.894 ( 9.081 6.307 2.299) 11.293 10.675 ( -3.380 -6.049 1.247) 7.040 11.254 ( -5.557 -0.107 0.266) 5.565 12.311 ( -1.728 -3.396 -1.616) 4.139 12.395 ( -14.531 -12.444 0.404) 19.135 ======================= Grid point 413 (125/670) ======================= q-point: ( 0.42 0.11 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.989 ( 26.878 20.284 -4.010) 33.911 4.300 ( 8.373 20.349 0.583) 22.012 6.471 ( 20.335 7.788 -1.599) 21.834 9.142 ( 1.866 5.503 -0.569) 5.839 10.061 ( 4.411 2.433 2.971) 5.848 10.606 ( 0.166 -3.486 1.361) 3.746 11.162 ( -5.583 0.436 0.295) 5.608 12.003 ( -13.005 -11.195 0.043) 17.160 12.305 ( 0.162 -2.575 -1.509) 2.990 ======================= Grid point 414 (126/670) ======================= q-point: ( 0.47 0.11 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.559 ( 21.074 15.324 -2.751) 26.202 4.579 ( 3.479 16.736 0.579) 17.104 6.790 ( 12.979 2.070 -1.459) 13.224 9.213 ( 0.413 5.563 -0.587) 5.609 10.101 ( -0.933 -1.507 3.101) 3.572 10.612 ( 2.651 -1.914 1.087) 3.446 11.083 ( -4.833 1.344 0.330) 5.027 11.743 ( -7.096 -7.220 -0.199) 10.125 12.279 ( 0.417 -2.869 -1.366) 3.205 ======================= Grid point 415 (127/670) ======================= q-point: ( 0.53 0.11 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.743 ( -1.364 13.321 0.726) 13.411 4.957 ( 12.226 9.007 -0.847) 15.209 6.955 ( 7.343 -1.678 -1.000) 7.598 9.259 ( -1.164 5.441 -0.578) 5.594 10.044 ( -2.901 -3.124 2.294) 4.841 10.644 ( 2.794 -2.145 0.360) 3.541 11.032 ( -3.591 2.554 0.347) 4.420 11.619 ( -1.824 -3.885 -0.193) 4.296 12.259 ( 1.022 -2.796 -0.975) 3.133 ======================= Grid point 416 (128/670) ======================= q-point: (-0.42 0.11 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.798 ( -6.056 10.349 0.786) 12.016 5.121 ( 0.637 1.796 1.553) 2.458 7.010 ( 3.007 -4.283 -0.431) 5.251 9.275 ( -2.740 4.937 -0.551) 5.673 9.991 ( -0.374 -1.856 0.772) 2.045 10.653 ( 1.259 -3.204 -0.509) 3.480 11.014 ( -2.158 3.574 0.313) 4.187 11.589 ( 1.346 -1.983 0.035) 2.397 12.256 ( 1.890 -2.389 -0.451) 3.079 ======================= Grid point 417 (129/670) ======================= q-point: (-0.37 0.11 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.745 ( -10.962 7.732 0.862) 13.442 5.018 ( -11.762 -5.073 3.539) 13.290 6.970 ( -1.491 -6.853 0.046) 7.013 9.259 ( -4.063 3.918 -0.553) 5.672 10.004 ( 2.554 -0.045 -0.611) 2.627 10.623 ( -0.340 -3.735 -1.140) 3.920 11.031 ( -0.433 4.190 0.278) 4.222 11.625 ( 4.450 -0.263 0.234) 4.464 12.273 ( 2.555 -1.904 0.006) 3.186 ======================= Grid point 418 (130/670) ======================= q-point: (-0.32 0.11 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.581 ( -16.400 4.479 0.998) 17.030 4.664 ( -22.434 -9.574 4.481) 24.800 6.814 ( -7.862 -10.059 0.247) 12.769 9.213 ( -5.021 2.631 -0.619) 5.702 10.042 ( 1.310 -0.306 -1.157) 1.774 10.578 ( -0.059 -3.167 -1.325) 3.433 11.082 ( 1.293 4.634 0.258) 4.818 11.750 ( 9.675 2.454 0.276) 9.985 12.301 ( 2.662 -1.559 0.257) 3.095 ======================= Grid point 419 (131/670) ======================= q-point: (-0.26 0.11 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.105 ( -30.335 -13.665 4.371) 33.557 4.309 ( -22.018 2.850 1.231) 22.236 6.495 ( -16.925 -13.769 0.100) 21.818 9.140 ( -5.720 1.355 -0.715) 5.922 10.007 ( -3.882 -2.483 -0.861) 4.688 10.572 ( 2.904 -1.578 -1.162) 3.503 11.161 ( 2.455 4.838 0.229) 5.431 12.006 ( 16.005 5.524 0.196) 16.933 12.330 ( 2.248 -1.351 0.308) 2.641 ======================= Grid point 420 (132/670) ======================= q-point: (-0.21 0.11 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.422 ( -35.345 -14.795 3.796) 38.504 3.913 ( -27.378 0.225 1.290) 27.410 5.972 ( -27.712 -17.045 -0.250) 32.536 9.045 ( -6.164 0.267 -0.799) 6.222 9.859 ( -9.310 -4.487 -0.234) 10.337 10.646 ( 7.109 0.307 -0.851) 7.167 11.253 ( 2.905 4.566 0.199) 5.416 12.338 ( 4.778 0.289 0.033) 4.787 12.390 ( 16.948 5.764 0.325) 17.904 ======================= Grid point 421 (133/670) ======================= q-point: (-0.16 0.11 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.677 ( -37.341 -13.995 2.858) 39.980 3.406 ( -32.293 -2.296 1.353) 32.403 5.240 ( -38.497 -18.738 -0.565) 42.819 8.937 ( -6.255 -0.476 -0.837) 6.328 9.620 ( -13.097 -5.320 0.278) 14.139 10.805 ( 10.551 1.704 -0.512) 10.700 11.343 ( 2.788 3.736 0.174) 4.665 12.350 ( 0.405 -1.055 0.008) 1.130 12.808 ( 21.398 7.180 0.182) 22.571 ======================= Grid point 422 (134/670) ======================= q-point: (-0.11 0.11 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.937 ( -36.423 -11.423 1.885) 38.219 2.800 ( -36.415 -4.242 1.375) 36.687 4.330 ( -48.260 -17.811 -0.663) 51.446 8.826 ( -5.878 -0.739 -0.797) 5.978 9.333 ( -14.919 -4.877 0.512) 15.705 11.017 ( 12.138 2.196 -0.241) 12.337 11.417 ( 2.360 2.497 0.156) 3.440 12.338 ( -0.682 -0.834 -0.182) 1.092 13.221 ( 19.863 5.648 0.197) 20.651 ======================= Grid point 423 (135/670) ======================= q-point: (-0.05 0.11 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.268 ( -32.644 -7.145 1.416) 33.447 2.120 ( -39.560 -4.760 1.344) 39.868 3.295 ( -56.715 -12.699 -0.373) 58.120 8.726 ( -4.972 -0.443 -0.657) 5.035 9.044 ( -14.554 -3.181 0.406) 14.903 11.238 ( 11.683 1.667 -0.091) 11.802 11.470 ( 1.855 1.140 0.139) 2.181 12.311 ( -1.616 -0.519 -0.407) 1.745 13.571 ( 16.397 3.124 0.290) 16.695 ======================= Grid point 427 (136/670) ======================= q-point: ( 0.16 0.16 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.938 ( -0.000 26.742 4.844) 27.178 1.642 ( -0.000 38.747 3.434) 38.899 2.550 ( -0.000 62.353 0.373) 62.354 8.652 ( -0.000 3.647 -1.285) 3.866 8.877 ( -0.000 13.389 0.288) 13.392 11.376 ( 0.000 -9.671 -0.256) 9.674 11.493 ( 0.000 -1.968 0.340) 1.997 12.275 ( 0.000 2.187 -1.315) 2.552 13.769 ( 0.000 -13.424 1.024) 13.463 ======================= Grid point 428 (137/670) ======================= q-point: ( 0.21 0.16 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.297 ( 8.334 30.549 1.907) 31.722 2.153 ( 14.436 36.606 2.442) 39.426 3.292 ( 17.774 54.748 0.093) 57.561 8.710 ( 2.540 4.314 -1.218) 5.153 9.053 ( 4.315 14.654 0.524) 15.285 11.238 ( -4.192 -10.872 0.060) 11.652 11.475 ( -0.016 -2.133 0.334) 2.159 12.295 ( 0.350 1.702 -1.420) 2.244 13.581 ( -5.578 -15.886 0.882) 16.860 ======================= Grid point 429 (138/670) ======================= q-point: ( 0.26 0.16 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.808 ( 15.751 32.340 -0.933) 35.984 2.790 ( 18.320 34.876 1.504) 39.423 4.140 ( 25.719 42.851 -0.295) 49.978 8.808 ( 3.928 5.088 -1.025) 6.509 9.296 ( 7.520 14.034 0.923) 15.949 11.042 ( -6.063 -11.165 0.389) 12.711 11.449 ( -1.077 -1.629 0.336) 1.982 12.307 ( 0.269 0.543 -1.526) 1.642 13.287 ( -10.267 -17.566 0.761) 20.360 ======================= Grid point 430 (139/670) ======================= q-point: ( 0.32 0.16 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.428 ( 21.258 31.881 -2.768) 38.419 3.421 ( 16.298 33.690 0.983) 37.438 4.950 ( 28.048 30.475 -0.817) 41.426 8.928 ( 4.186 6.028 -0.897) 7.393 9.567 ( 9.027 11.825 1.539) 14.956 10.836 ( -5.805 -10.259 0.719) 11.810 11.406 ( -2.730 -0.836 0.359) 2.877 12.304 ( 0.157 -0.970 -1.643) 1.914 12.913 ( -13.528 -18.174 0.683) 22.666 ======================= Grid point 431 (140/670) ======================= q-point: ( 0.37 0.16 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.102 ( 24.146 29.482 -3.607) 38.279 3.979 ( 11.711 32.007 0.735) 34.090 5.646 ( 26.416 18.828 -1.304) 32.466 9.055 ( 3.548 7.013 -0.845) 7.904 9.821 ( 8.503 8.471 2.270) 12.215 10.667 ( -3.730 -8.153 1.019) 9.023 11.344 ( -4.361 0.025 0.387) 4.378 12.284 ( -0.048 -2.749 -1.741) 3.255 12.502 ( -14.499 -17.171 0.594) 22.482 ======================= Grid point 432 (141/670) ======================= q-point: ( 0.42 0.16 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.768 ( 24.145 25.523 -3.612) 35.319 4.429 ( 6.275 29.223 0.626) 29.896 6.183 ( 22.066 8.922 -1.562) 23.853 9.174 ( 2.253 7.922 -0.826) 8.278 10.013 ( 5.721 4.200 2.960) 7.690 10.567 ( -0.571 -5.506 1.176) 5.659 11.267 ( -5.367 0.963 0.417) 5.469 12.095 ( -12.711 -14.720 0.177) 19.450 12.265 ( -0.061 -4.053 -1.556) 4.341 ======================= Grid point 433 (142/670) ======================= q-point: ( 0.47 0.16 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.365 ( 21.143 20.278 -2.859) 29.435 4.756 ( 1.028 25.390 0.591) 25.418 6.552 ( 16.486 1.830 -1.463) 16.652 9.276 ( 0.541 8.651 -0.796) 8.705 10.098 ( 1.015 -0.547 3.322) 3.516 10.543 ( 2.294 -3.636 1.032) 4.422 11.191 ( -5.401 2.156 0.453) 5.833 11.785 ( -8.529 -11.091 -0.045) 13.991 12.227 ( 0.778 -4.531 -1.545) 4.850 ======================= Grid point 434 (143/670) ======================= q-point: ( 0.53 0.16 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.832 ( 14.928 13.925 -1.428) 20.465 4.962 ( -3.434 21.253 0.658) 21.539 6.774 ( 11.024 -2.344 -1.063) 11.321 9.353 ( -1.402 9.091 -0.724) 9.227 10.065 ( -2.695 -3.832 2.936) 5.529 10.563 ( 3.414 -3.611 0.470) 4.991 11.135 ( -4.636 3.617 0.467) 5.898 11.603 ( -2.866 -7.067 -0.203) 7.629 12.196 ( 1.529 -4.788 -1.237) 5.176 ======================= Grid point 435 (144/670) ======================= q-point: ( 0.58 0.16 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.055 ( -6.718 16.908 0.346) 18.197 5.113 ( 4.926 7.687 0.931) 9.178 6.880 ( 6.279 -4.952 -0.565) 8.017 9.398 ( -3.563 9.012 -0.578) 9.708 9.985 ( -1.993 -3.931 1.668) 4.713 10.578 ( 2.873 -4.639 -0.280) 5.464 11.108 ( -3.680 4.805 0.390) 6.065 11.536 ( 1.079 -4.571 -0.057) 4.697 12.182 ( 2.573 -4.530 -0.770) 5.267 ======================= Grid point 436 (145/670) ======================= q-point: (-0.37 0.16 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.056 ( -11.394 14.424 0.573) 18.390 5.151 ( -6.106 0.811 2.652) 6.706 6.888 ( 2.040 -7.542 -0.147) 7.815 9.401 ( -5.780 7.972 -0.417) 9.856 9.956 ( 1.766 -1.899 0.153) 2.598 10.566 ( 1.620 -5.207 -0.848) 5.519 11.106 ( -2.571 5.346 0.267) 5.938 11.540 ( 3.763 -3.020 0.155) 4.828 12.191 ( 3.575 -3.951 -0.305) 5.337 ======================= Grid point 437 (146/670) ======================= q-point: (-0.32 0.16 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.915 ( -17.144 -2.067 2.470) 17.444 4.981 ( -16.953 10.029 1.890) 19.787 6.797 ( -2.700 -10.601 0.056) 10.939 9.358 ( -7.226 6.193 -0.432) 9.526 9.994 ( 3.364 -0.558 -0.674) 3.476 10.531 ( 0.690 -4.774 -1.052) 4.937 11.130 ( -0.848 5.554 0.198) 5.622 11.613 ( 7.582 -1.040 0.253) 7.657 12.221 ( 4.055 -3.323 -0.009) 5.243 ======================= Grid point 438 (147/670) ======================= q-point: (-0.26 0.16 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.487 ( -26.758 -8.924 3.366) 28.407 4.768 ( -22.760 11.627 1.118) 25.582 6.582 ( -9.446 -13.429 -0.028) 16.419 9.280 ( -7.880 4.289 -0.559) 8.989 10.019 ( 0.056 -1.346 -0.611) 1.479 10.505 ( 1.716 -3.441 -0.906) 3.950 11.185 ( 0.895 5.500 0.165) 5.575 11.791 ( 13.563 1.634 0.220) 13.663 12.259 ( 3.865 -2.732 0.079) 4.733 ======================= Grid point 439 (148/670) ======================= q-point: (-0.21 0.16 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.893 ( -33.603 -9.961 2.757) 35.156 4.439 ( -28.636 8.824 1.087) 29.985 6.209 ( -18.874 -14.730 -0.303) 23.944 9.177 ( -8.088 2.519 -0.658) 8.497 9.952 ( -5.700 -2.720 -0.093) 6.317 10.532 ( 5.071 -1.720 -0.606) 5.389 11.261 ( 1.919 4.905 0.146) 5.269 12.096 ( 19.184 3.564 0.129) 19.513 12.295 ( 3.278 -2.055 0.049) 3.869 ======================= Grid point 440 (149/670) ======================= q-point: (-0.16 0.16 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.206 ( -37.619 -8.771 1.709) 38.666 3.986 ( -33.722 5.044 1.019) 34.112 5.662 ( -29.960 -13.313 -0.531) 32.789 9.058 ( -7.915 1.124 -0.670) 8.023 9.783 ( -10.750 -3.105 0.366) 11.196 10.641 ( 9.124 -0.271 -0.282) 9.133 11.339 ( 2.215 3.604 0.139) 4.232 12.316 ( 2.300 -1.309 -0.271) 2.660 12.493 ( 22.091 3.747 0.286) 22.408 ======================= Grid point 441 (150/670) ======================= q-point: (-0.11 0.16 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.493 ( -38.818 -5.713 0.549) 39.240 3.419 ( -37.492 1.251 0.835) 37.522 4.956 ( -40.976 -8.435 -0.503) 41.838 8.934 ( -7.337 0.345 -0.577) 7.368 9.547 ( -14.093 -2.217 0.539) 14.276 10.822 ( 12.007 0.432 -0.017) 12.015 11.402 ( 2.125 1.788 0.135) 2.780 12.330 ( 0.724 -0.646 -0.412) 1.054 12.903 ( 22.441 2.435 0.255) 22.575 ======================= Grid point 442 (151/670) ======================= q-point: (-0.05 0.16 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.819 ( -37.087 -0.986 -0.349) 37.102 2.772 ( -39.700 -0.618 0.539) 39.709 4.143 ( -50.443 0.339 -0.109) 50.444 8.820 ( -6.336 0.336 -0.385) 6.357 9.285 ( -15.501 -0.200 0.381) 15.507 11.037 ( 12.861 0.129 0.143) 12.862 11.445 ( 1.960 -0.047 0.123) 1.965 12.326 ( -0.604 -0.013 -0.612) 0.860 13.277 ( 20.259 -0.043 0.310) 20.262 ======================= Grid point 447 (152/670) ======================= q-point: ( 0.21 0.21 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.552 ( -0.000 34.584 1.265) 34.607 2.383 ( -0.000 35.751 2.760) 35.857 3.707 ( -0.000 56.775 -0.365) 56.776 8.728 ( -0.000 4.852 -1.451) 5.064 9.171 ( -0.000 16.116 0.854) 16.139 11.166 ( 0.000 -11.631 0.103) 11.631 11.446 ( 0.000 -3.087 0.398) 3.112 12.306 ( 0.000 1.746 -1.500) 2.301 13.464 ( 0.000 -18.402 0.878) 18.423 ======================= Grid point 448 (153/670) ======================= q-point: ( 0.26 0.21 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.958 ( 6.685 36.801 -0.409) 37.406 2.848 ( 13.488 33.555 2.179) 36.230 4.311 ( 8.967 50.079 -0.687) 50.880 8.796 ( 2.739 5.294 -1.371) 6.116 9.357 ( 3.126 15.864 1.200) 16.213 11.018 ( -3.906 -11.601 0.327) 12.245 11.425 ( 0.888 -3.238 0.399) 3.381 12.313 ( -0.411 1.017 -1.584) 1.927 13.235 ( -5.115 -20.055 0.816) 20.713 ======================= Grid point 449 (154/670) ======================= q-point: ( 0.32 0.21 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.474 ( 12.429 36.768 -1.979) 38.863 3.451 ( 18.660 31.976 1.500) 37.053 4.935 ( 13.424 39.051 -1.044) 41.307 8.910 ( 4.514 5.979 -1.214) 7.589 9.578 ( 5.167 13.903 1.689) 14.928 10.830 ( -5.275 -10.596 0.618) 11.852 11.410 ( 0.425 -2.681 0.410) 2.745 12.300 ( -0.980 -0.343 -1.686) 1.980 12.918 ( -9.216 -20.629 0.750) 22.606 ======================= Grid point 450 (155/670) ======================= q-point: ( 0.37 0.21 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.060 ( 16.677 34.501 -2.946) 38.433 4.065 ( 16.674 31.478 0.992) 35.635 5.492 ( 15.628 25.945 -1.373) 30.319 9.050 ( 4.958 7.069 -1.100) 8.704 9.797 ( 5.899 10.484 2.315) 12.250 10.656 ( -4.352 -8.524 0.894) 9.613 11.385 ( -1.076 -1.687 0.441) 2.049 12.264 ( -1.293 -2.220 -1.763) 3.115 12.545 ( -11.627 -19.730 0.656) 22.911 ======================= Grid point 451 (156/670) ======================= q-point: ( 0.42 0.21 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.667 ( 18.785 30.416 -3.212) 35.894 4.600 ( 10.337 30.765 0.619) 32.461 5.947 ( 16.445 13.306 -1.493) 21.207 9.200 ( 4.161 8.429 -1.037) 9.457 9.979 ( 4.947 5.942 2.972) 8.284 10.534 ( -1.940 -5.940 1.054) 6.337 11.343 ( -2.792 -0.410 0.474) 2.861 12.141 ( -10.221 -15.668 0.062) 18.708 12.234 ( -2.629 -5.725 -1.367) 6.446 ======================= Grid point 452 (157/670) ======================= q-point: ( 0.47 0.21 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.242 ( 18.331 24.989 -2.802) 31.118 4.997 ( 2.802 27.919 0.308) 28.061 6.297 ( 15.734 4.455 -1.254) 16.400 9.342 ( 2.436 9.726 -0.975) 10.074 10.081 ( 1.987 0.765 3.434) 4.040 10.481 ( 0.778 -4.135 0.975) 4.319 11.291 ( -3.888 1.169 0.499) 4.090 11.814 ( -9.319 -14.005 0.122) 16.823 12.168 ( -0.168 -4.931 -1.644) 5.201 ======================= Grid point 453 (158/670) ======================= q-point: ( 0.53 0.21 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.731 ( 15.006 18.600 -1.766) 23.964 5.239 ( -2.895 22.722 0.108) 22.906 6.558 ( 12.690 0.698 -0.750) 12.731 9.460 ( 0.207 10.554 -0.846) 10.590 10.076 ( -1.841 -3.459 3.332) 5.144 10.474 ( 2.524 -4.236 0.539) 4.960 11.245 ( -4.001 3.000 0.512) 5.027 11.581 ( -4.465 -9.782 -0.151) 10.754 12.119 ( 0.932 -5.535 -1.380) 5.780 ======================= Grid point 454 (159/670) ======================= q-point: ( 0.58 0.21 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.076 ( 8.522 11.611 -0.276) 14.406 5.356 ( -5.978 17.712 0.121) 18.694 6.728 ( 7.590 -0.694 -0.254) 7.626 9.545 ( -2.173 10.623 -0.564) 10.858 9.994 ( -3.339 -4.633 2.335) 6.170 10.475 ( 3.071 -5.562 -0.134) 6.355 11.219 ( -3.637 4.515 0.451) 5.815 11.469 ( 0.178 -6.749 -0.120) 6.752 12.088 ( 2.233 -5.506 -0.965) 6.020 ======================= Grid point 455 (160/670) ======================= q-point: (-0.37 0.21 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.223 ( -0.931 4.799 1.185) 5.030 5.395 ( -8.200 14.915 0.349) 17.025 6.792 ( 2.114 -3.036 0.063) 3.700 9.585 ( -5.043 9.815 -0.089) 11.035 9.920 ( -0.701 -3.175 0.696) 3.325 10.467 ( 3.022 -6.237 -0.647) 6.961 11.209 ( -3.286 5.137 0.302) 6.106 11.442 ( 3.215 -5.040 0.078) 5.978 12.084 ( 3.615 -4.955 -0.524) 6.156 ======================= Grid point 456 (161/670) ======================= q-point: (-0.32 0.21 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.141 ( -11.595 -0.919 2.106) 11.821 5.369 ( -12.152 14.372 0.559) 18.830 6.740 ( -2.341 -7.130 0.154) 7.506 9.560 ( -8.081 7.935 0.078) 11.326 9.924 ( 3.330 -1.188 -0.380) 3.556 10.453 ( 2.397 -5.570 -0.810) 6.118 11.211 ( -2.374 5.122 0.184) 5.648 11.478 ( 6.018 -3.389 0.197) 6.910 12.109 ( 4.633 -4.160 -0.216) 6.230 ======================= Grid point 457 (162/670) ======================= q-point: (-0.26 0.21 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.838 ( -21.658 -4.588 2.199) 22.247 5.256 ( -18.550 14.141 0.635) 23.333 6.581 ( -6.027 -11.070 0.005) 12.605 9.476 ( -9.498 5.662 -0.205) 11.059 9.978 ( 3.291 -0.761 -0.323) 3.393 10.439 ( 1.845 -3.976 -0.649) 4.431 11.234 ( -0.633 4.744 0.135) 4.788 11.591 ( 10.490 -1.176 0.190) 10.557 12.154 ( 4.950 -3.263 -0.116) 5.930 ======================= Grid point 458 (163/670) ======================= q-point: (-0.21 0.21 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.358 ( -29.747 -5.584 1.505) 30.304 5.009 ( -26.075 11.233 0.644) 28.399 6.327 ( -11.174 -11.587 -0.294) 16.100 9.356 ( -9.799 3.350 -0.419) 10.364 9.990 ( -1.100 -1.305 0.206) 1.719 10.445 ( 2.983 -2.130 -0.328) 3.680 11.280 ( 0.986 3.783 0.127) 3.912 11.815 ( 16.384 0.782 0.135) 16.404 12.207 ( 4.585 -2.217 -0.179) 5.096 ======================= Grid point 459 (164/670) ======================= q-point: (-0.16 0.21 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.762 ( -35.379 -4.212 0.361) 35.631 4.600 ( -32.235 5.332 0.525) 32.677 5.976 ( -19.754 -7.274 -0.513) 21.056 9.215 ( -9.418 1.393 -0.454) 9.532 9.912 ( -6.734 -1.227 0.660) 6.877 10.506 ( 6.146 -0.611 0.010) 6.176 11.334 ( 1.808 2.086 0.137) 2.763 12.142 ( 20.520 1.165 0.007) 20.553 12.263 ( 4.211 -1.002 -0.220) 4.334 ======================= Grid point 460 (165/670) ======================= q-point: (-0.11 0.21 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.113 ( -38.440 -0.925 -0.923) 38.463 4.048 ( -35.989 -0.445 0.275) 35.992 5.518 ( -30.608 0.197 -0.479) 30.613 9.070 ( -8.539 0.259 -0.349) 8.550 9.754 ( -11.340 -0.052 0.807) 11.369 10.639 ( 9.729 0.166 0.289) 9.735 11.377 ( 2.034 -0.033 0.144) 2.039 12.299 ( 2.429 0.006 -0.679) 2.522 12.531 ( 22.904 -0.075 0.303) 22.906 ======================= Grid point 461 (166/670) ======================= q-point: (-0.05 0.21 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.470 ( -38.765 3.886 -2.039) 39.012 3.412 ( -37.536 -2.151 0.015) 37.598 4.959 ( -40.842 8.841 -0.197) 41.788 8.938 ( -7.303 0.206 -0.175) 7.308 9.548 ( -14.245 2.011 0.663) 14.401 10.826 ( 11.961 -0.132 0.456) 11.970 11.402 ( 2.114 -1.878 0.130) 2.830 12.326 ( 0.724 0.633 -0.826) 1.268 12.904 ( 22.460 -2.545 0.311) 22.606 ======================= Grid point 467 (167/670) ======================= q-point: ( 0.26 0.26 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.272 ( -0.000 39.233 -0.984) 39.246 3.050 ( -0.000 31.578 2.222) 31.656 4.730 ( -0.000 48.954 -0.985) 48.964 8.820 ( -0.000 5.385 -1.418) 5.569 9.492 ( -0.000 15.994 1.483) 16.063 10.942 ( 0.000 -11.274 0.423) 11.282 11.378 ( 0.000 -4.114 0.424) 4.136 12.323 ( 0.000 0.896 -1.638) 1.867 13.078 ( 0.000 -21.634 0.799) 21.649 ======================= Grid point 468 (168/670) ======================= q-point: ( 0.32 0.26 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.696 ( 5.119 39.604 -1.942) 39.981 3.467 ( 13.241 28.987 1.788) 31.918 5.203 ( 3.156 42.224 -1.265) 42.361 8.895 ( 3.111 5.587 -1.305) 6.526 9.664 ( 1.959 14.481 1.864) 14.731 10.807 ( -3.479 -10.021 0.649) 10.627 11.355 ( 1.720 -4.199 0.423) 4.558 12.315 ( -1.158 0.069 -1.701) 2.059 12.828 ( -4.547 -22.069 0.739) 22.544 ======================= Grid point 469 (169/670) ======================= q-point: ( 0.37 0.26 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.188 ( 9.281 37.790 -2.720) 39.008 4.029 ( 20.018 26.661 1.227) 33.362 5.621 ( 3.667 32.200 -1.489) 32.442 9.022 ( 5.452 6.208 -1.170) 8.344 9.838 ( 2.902 11.449 2.376) 12.048 10.653 ( -4.392 -7.826 0.892) 9.018 11.350 ( 1.936 -3.651 0.440) 4.156 12.274 ( -2.372 -1.551 -1.715) 3.313 12.514 ( -7.892 -20.891 0.603) 22.340 ======================= Grid point 470 (170/670) ======================= q-point: ( 0.42 0.26 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.711 ( 12.275 33.968 -3.046) 36.246 4.623 ( 19.529 25.087 0.682) 31.800 5.935 ( 3.981 20.729 -1.496) 21.161 9.185 ( 6.362 7.379 -1.088) 9.804 9.986 ( 2.754 7.073 2.967) 8.150 10.527 ( -3.253 -5.226 1.033) 6.242 11.346 ( 0.884 -2.551 0.473) 2.740 12.143 ( -8.286 -15.873 0.103) 17.906 12.232 ( -4.183 -5.784 -1.391) 7.272 ======================= Grid point 471 (171/670) ======================= q-point: ( 0.47 0.26 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.226 ( 13.597 28.597 -2.832) 31.791 5.134 ( 12.318 23.019 0.063) 26.108 6.166 ( 6.601 11.007 -1.050) 12.878 9.363 ( 5.623 8.869 -1.051) 10.554 10.074 ( 1.321 1.784 3.472) 4.121 10.450 ( -1.340 -3.494 0.969) 3.865 11.333 ( -0.565 -0.875 0.499) 1.155 11.827 ( -9.095 -15.328 0.212) 17.825 12.139 ( -2.343 -4.048 -1.688) 4.973 ======================= Grid point 472 (172/670) ======================= q-point: ( 0.53 0.26 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.689 ( 12.730 22.210 -2.089) 25.685 5.451 ( 2.225 17.300 -0.597) 17.452 6.393 ( 10.220 7.614 -0.200) 12.746 9.530 ( 3.422 9.960 -0.959) 10.575 10.080 ( -1.098 -2.812 3.557) 4.666 10.411 ( 0.249 -3.803 0.615) 3.861 11.317 ( -1.608 1.244 0.499) 2.093 11.568 ( -6.151 -11.177 -0.094) 12.758 12.062 ( -1.020 -4.879 -1.432) 5.186 ======================= Grid point 473 (173/670) ======================= q-point: ( 0.58 0.26 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.054 ( 9.203 15.308 -0.935) 17.886 5.568 ( -2.579 10.213 -0.797) 10.564 6.632 ( 7.922 8.304 0.396) 11.483 9.656 ( 0.533 9.251 -0.557) 9.283 10.017 ( -3.036 -3.660 2.738) 5.486 10.380 ( 1.352 -5.594 0.014) 5.755 11.308 ( -2.108 3.114 0.438) 3.786 11.408 ( -1.873 -7.970 -0.156) 8.188 12.007 ( 0.651 -5.105 -1.040) 5.250 ======================= Grid point 474 (174/670) ======================= q-point: ( 0.63 0.26 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.272 ( 2.754 8.487 0.304) 8.927 5.596 ( -2.926 6.723 -0.597) 7.357 6.787 ( 0.867 6.867 0.596) 6.947 9.720 ( -1.296 5.673 0.469) 5.838 9.944 ( -3.879 0.223 0.777) 3.962 10.352 ( 2.651 -6.655 -0.476) 7.180 11.305 ( -2.498 3.875 0.286) 4.619 11.342 ( 1.895 -6.081 0.027) 6.370 11.982 ( 2.431 -4.680 -0.625) 5.311 ======================= Grid point 475 (175/670) ======================= q-point: (-0.32 0.26 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.302 ( -6.059 2.665 1.076) 6.707 5.608 ( -3.350 6.781 -0.292) 7.569 6.786 ( -6.328 2.153 0.558) 6.707 9.734 ( -2.786 3.627 1.284) 4.750 9.900 ( -2.665 2.397 -0.914) 3.699 10.343 ( 3.679 -5.792 -0.598) 6.887 11.300 ( -2.620 3.772 0.185) 4.596 11.348 ( 4.765 -4.448 0.128) 6.519 11.994 ( 4.012 -3.835 -0.327) 5.560 ======================= Grid point 476 (176/670) ======================= q-point: (-0.26 0.26 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.129 ( -15.582 -1.105 1.070) 15.658 5.598 ( -7.423 8.365 -0.092) 11.185 6.633 ( -10.370 -3.821 0.333) 11.057 9.685 ( -8.204 4.242 0.485) 9.248 9.912 ( 2.735 0.310 -0.393) 2.780 10.357 ( 3.432 -3.650 -0.406) 5.026 11.295 ( -1.884 3.186 0.142) 3.704 11.420 ( 7.909 -2.434 0.111) 8.276 12.038 ( 5.021 -2.742 -0.237) 5.726 ======================= Grid point 477 (177/670) ======================= q-point: (-0.21 0.26 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.778 ( -24.153 -2.200 0.344) 24.256 5.478 ( -17.157 6.964 -0.006) 18.516 6.404 ( -10.165 -5.785 -0.055) 11.696 9.557 ( -10.476 2.326 -0.197) 10.733 9.967 ( 2.760 -0.282 0.594) 2.837 10.382 ( 2.693 -1.438 -0.066) 3.054 11.302 ( -0.300 1.910 0.147) 1.939 11.574 ( 12.362 -0.562 0.049) 12.375 12.105 ( 5.280 -1.409 -0.332) 5.475 ======================= Grid point 478 (178/670) ======================= q-point: (-0.16 0.26 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.297 ( -30.889 -0.796 -0.828) 30.910 5.134 ( -27.242 -0.295 -0.032) 27.244 6.197 ( -11.762 0.078 -0.417) 11.769 9.390 ( -10.415 0.135 -0.312) 10.420 9.981 ( -1.631 0.089 1.173) 2.011 10.425 ( 3.457 0.188 0.290) 3.475 11.319 ( 1.080 -0.022 0.171) 1.094 11.823 ( 17.439 -0.058 0.031) 17.439 12.182 ( 4.805 -0.005 -0.511) 4.832 ======================= Grid point 479 (179/670) ======================= q-point: (-0.11 0.26 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.740 ( -35.469 2.540 -2.133) 35.623 4.594 ( -32.264 -6.005 -0.168) 32.819 5.976 ( -19.699 7.491 -0.563) 21.083 9.217 ( -9.361 -0.991 -0.216) 9.416 9.918 ( -6.876 1.271 1.352) 7.122 10.512 ( 6.135 0.964 0.604) 6.239 11.334 ( 1.797 -2.151 0.177) 2.808 12.142 ( 20.479 -1.207 -0.061) 20.514 12.260 ( 4.267 0.920 -0.568) 4.402 ======================= Grid point 480 (180/670) ======================= q-point: (-0.05 0.26 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.162 ( -37.665 7.229 -3.286) 38.493 3.974 ( -33.763 -5.607 -0.253) 34.226 5.662 ( -29.791 13.457 -0.514) 32.694 9.063 ( -7.850 -0.718 -0.082) 7.883 9.791 ( -11.028 3.091 1.242) 11.520 10.651 ( 9.063 0.601 0.811) 9.119 11.339 ( 2.193 -3.710 0.150) 4.312 12.309 ( 2.306 1.342 -1.075) 2.876 12.494 ( 22.113 -3.885 0.334) 22.454 ======================= Grid point 487 (181/670) ======================= q-point: ( 0.32 0.32 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.038 ( -0.000 40.297 -2.419) 40.370 3.624 ( -0.000 26.457 1.727) 26.514 5.578 ( -0.000 39.119 -1.469) 39.147 8.916 ( -0.000 5.251 -1.226) 5.393 9.791 ( -0.000 13.379 2.123) 13.547 10.749 ( 0.000 -8.670 0.809) 8.707 11.294 ( 0.000 -4.771 0.414) 4.789 12.321 ( 0.000 -0.279 -1.698) 1.721 12.652 ( 0.000 -22.194 0.643) 22.203 ======================= Grid point 488 (182/670) ======================= q-point: ( 0.37 0.32 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.447 ( 3.635 38.884 -2.926) 39.163 3.984 ( 12.969 23.438 1.344) 26.821 5.919 ( -0.777 32.287 -1.617) 32.337 8.994 ( 3.673 5.248 -1.084) 6.496 9.924 ( 0.897 10.758 2.497) 11.080 10.650 ( -2.953 -6.443 1.008) 7.159 11.270 ( 2.343 -4.671 0.407) 5.242 12.290 ( -1.980 -2.795 -1.442) 3.716 12.414 ( -3.725 -19.296 0.253) 19.654 ======================= Grid point 489 (183/670) ======================= q-point: ( 0.42 0.32 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.885 ( 6.407 35.444 -3.168) 36.158 4.489 ( 20.601 20.166 0.810) 28.840 6.155 ( -2.930 23.792 -1.575) 24.023 9.133 ( 6.711 5.816 -0.970) 8.933 10.033 ( 0.849 6.770 2.957) 7.436 10.545 ( -3.671 -3.820 1.115) 5.414 11.277 ( 3.173 -4.008 0.426) 5.130 12.105 ( -6.468 -17.767 0.370) 18.912 12.253 ( -3.596 -2.751 -1.712) 4.841 ======================= Grid point 490 (184/670) ======================= q-point: ( 0.47 0.32 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.320 ( 8.347 30.285 -3.006) 31.558 5.029 ( 21.071 16.433 0.171) 26.722 6.284 ( -3.453 16.234 -1.147) 16.637 9.319 ( 8.186 6.950 -0.940) 10.780 10.092 ( -0.080 1.759 3.394) 3.823 10.464 ( -3.091 -2.034 1.030) 3.841 11.296 ( 2.742 -2.672 0.455) 3.855 11.823 ( -7.776 -14.913 0.175) 16.819 12.158 ( -4.133 -2.760 -1.659) 5.239 ======================= Grid point 491 (185/670) ======================= q-point: ( 0.53 0.32 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.724 ( 9.072 23.944 -2.407) 25.718 5.457 ( 12.741 10.405 -0.679) 16.464 6.395 ( 1.689 13.253 -0.186) 13.361 9.525 ( 7.435 8.169 -0.974) 11.089 10.082 ( -1.372 -2.915 3.592) 4.825 10.401 ( -2.465 -2.310 0.702) 3.451 11.319 ( 1.768 -0.700 0.458) 1.956 11.572 ( -7.014 -10.702 -0.104) 12.796 12.057 ( -3.587 -3.437 -1.395) 5.160 ======================= Grid point 492 (186/670) ======================= q-point: ( 0.58 0.32 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.063 ( 7.999 17.050 -1.458) 18.889 5.632 ( 2.002 3.155 -1.165) 3.914 6.617 ( 7.575 14.174 0.615) 16.083 9.699 ( 3.783 7.435 -0.768) 8.377 10.028 ( -1.368 -3.783 3.065) 5.058 10.334 ( -1.838 -4.257 0.183) 4.641 11.343 ( 0.562 1.072 0.324) 1.253 11.386 ( -4.502 -7.298 -0.131) 8.576 11.971 ( -1.975 -3.710 -1.013) 4.323 ======================= Grid point 493 (187/670) ======================= q-point: ( 0.63 0.32 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.301 ( 4.571 10.284 -0.408) 11.261 5.644 ( -0.464 0.024 -0.957) 1.064 6.858 ( 3.752 12.570 0.742) 13.139 9.761 ( -0.810 0.747 0.559) 1.235 10.015 ( -0.581 3.136 0.959) 3.331 10.266 ( -0.177 -5.617 -0.270) 5.626 11.272 ( -1.074 -5.821 -0.142) 5.920 11.365 ( -0.565 2.303 0.330) 2.394 11.918 ( 0.146 -3.403 -0.609) 3.460 ======================= Grid point 494 (188/670) ======================= q-point: (-0.32 0.32 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.401 ( -1.415 4.498 0.280) 4.724 5.644 ( 1.006 0.129 -0.616) 1.187 6.952 ( -5.136 7.840 0.627) 9.394 9.742 ( 0.136 -1.809 1.032) 2.087 10.028 ( -4.268 5.777 -0.340) 7.191 10.232 ( 2.529 -4.758 -0.384) 5.402 11.237 ( 2.769 -4.305 0.023) 5.119 11.369 ( -1.685 2.262 0.180) 2.827 11.908 ( 2.246 -2.594 -0.318) 3.445 ======================= Grid point 495 (189/670) ======================= q-point: (-0.26 0.32 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.338 ( -9.182 0.638 0.245) 9.207 5.675 ( 1.529 1.328 -0.408) 2.066 6.843 ( -13.167 2.030 0.427) 13.329 9.750 ( 1.555 -0.801 0.794) 1.921 9.973 ( -6.767 3.300 -0.401) 7.539 10.258 ( 4.394 -2.295 -0.179) 4.960 11.280 ( 5.903 -2.012 0.032) 6.236 11.355 ( -2.163 1.413 0.117) 2.586 11.940 ( 3.959 -1.418 -0.239) 4.212 ======================= Grid point 496 (190/670) ======================= q-point: (-0.21 0.32 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.114 ( -17.207 -0.537 -0.446) 17.221 5.678 ( -3.787 0.054 -0.455) 3.815 6.596 ( -15.260 -0.199 0.172) 15.263 9.722 ( -6.480 -0.366 -0.139) 6.492 9.925 ( 0.782 0.438 0.871) 1.250 10.321 ( 3.946 0.209 0.167) 3.955 11.328 ( -1.574 -0.032 0.167) 1.583 11.394 ( 8.692 -0.068 -0.085) 8.692 12.009 ( 5.022 0.043 -0.359) 5.035 ======================= Grid point 497 (191/670) ======================= q-point: (-0.16 0.32 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.761 ( -24.368 0.887 -1.578) 24.435 5.473 ( -17.274 -7.237 -0.490) 18.735 6.403 ( -10.120 5.699 -0.225) 11.617 9.555 ( -10.272 -2.266 -0.355) 10.525 9.977 ( 2.669 0.542 1.692) 3.206 10.387 ( 2.701 1.827 0.525) 3.303 11.302 ( -0.294 -1.969 0.205) 2.002 11.572 ( 12.388 0.435 -0.126) 12.397 12.102 ( 5.226 1.458 -0.585) 5.457 ======================= Grid point 498 (192/670) ======================= q-point: (-0.11 0.32 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.320 ( -30.043 4.242 -2.840) 30.473 4.999 ( -26.143 -11.635 -0.453) 28.618 6.324 ( -11.152 11.614 -0.625) 16.113 9.358 ( -9.646 -3.056 -0.204) 10.121 10.006 ( -1.256 1.390 1.993) 2.735 10.455 ( 2.992 2.479 0.845) 3.976 11.281 ( 0.974 -3.874 0.212) 4.000 11.814 ( 16.452 -0.892 -0.078) 16.476 12.202 ( 4.524 2.255 -0.816) 5.120 ======================= Grid point 499 (193/670) ======================= q-point: (-0.05 0.32 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.834 ( -33.851 8.778 -3.953) 35.193 4.427 ( -28.659 -9.157 -0.359) 30.088 6.204 ( -18.773 14.733 -0.847) 23.879 9.182 ( -7.989 -2.217 -0.081) 8.291 9.970 ( -6.012 2.793 1.982) 6.919 10.547 ( 5.055 2.045 1.107) 5.564 11.261 ( 1.890 -5.039 0.172) 5.385 12.094 ( 19.206 -3.631 -0.036) 19.546 12.287 ( 3.292 2.053 -0.953) 3.994 ======================= Grid point 507 (194/670) ======================= q-point: ( 0.37 0.37 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.783 ( -0.000 37.807 -3.268) 37.948 4.090 ( -0.000 20.665 1.238) 20.702 6.220 ( -0.000 28.015 -1.706) 28.066 9.006 ( -0.000 4.562 -0.925) 4.655 10.019 ( -0.000 8.484 2.713) 8.907 10.626 ( 0.000 -4.456 1.181) 4.610 11.202 ( 0.000 -4.791 0.358) 4.804 12.218 ( 0.000 -17.180 0.282) 17.182 12.323 ( 0.000 -3.644 -1.598) 3.979 ======================= Grid point 508 (195/670) ======================= q-point: ( 0.42 0.37 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.147 ( 2.292 34.667 -3.412) 34.910 4.386 ( 12.448 17.362 0.871) 21.381 6.431 ( -3.195 21.713 -1.639) 22.007 9.083 ( 4.397 4.412 -0.771) 6.276 10.094 ( -0.043 4.890 2.981) 5.727 10.574 ( -2.546 -2.094 1.260) 3.529 11.183 ( 2.772 -4.376 0.341) 5.192 12.019 ( -3.275 -16.806 0.272) 17.125 12.279 ( -2.259 -1.583 -1.714) 3.248 ======================= Grid point 509 (196/670) ======================= q-point: ( 0.47 0.37 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.503 ( 3.937 29.680 -3.229) 30.114 4.817 ( 19.851 13.483 0.379) 24.000 6.526 ( -6.087 15.532 -1.303) 16.733 9.233 ( 8.179 4.913 -0.696) 9.567 10.122 ( -0.897 0.455 3.207) 3.361 10.514 ( -3.622 -0.364 1.134) 3.812 11.206 ( 4.157 -3.383 0.366) 5.372 11.799 ( -5.517 -12.976 0.031) 14.101 12.203 ( -4.149 -1.895 -1.538) 4.814 ======================= Grid point 510 (197/670) ======================= q-point: ( 0.53 0.37 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.829 ( 5.164 23.335 -2.665) 24.048 5.266 ( 19.187 8.505 -0.203) 20.989 6.553 ( -4.764 11.929 -0.636) 12.861 9.440 ( 10.118 5.871 -0.756) 11.723 10.090 ( -2.075 -3.660 3.273) 5.331 10.448 ( -4.258 -0.431 0.791) 4.353 11.254 ( 4.309 -1.774 0.379) 4.675 11.592 ( -6.484 -8.743 -0.177) 10.886 12.101 ( -5.003 -2.233 -1.244) 5.618 ======================= Grid point 511 (198/670) ======================= q-point: ( 0.58 0.37 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.107 ( 5.649 16.332 -1.784) 17.374 5.563 ( 9.056 2.368 -0.721) 9.388 6.648 ( 3.608 11.716 0.134) 12.260 9.662 ( 8.641 6.461 -0.966) 10.832 10.014 ( -1.836 -5.607 3.079) 6.655 10.362 ( -4.819 -2.024 0.327) 5.237 11.314 ( 3.523 -0.111 0.311) 3.538 11.415 ( -6.229 -5.525 -0.225) 8.329 11.995 ( -4.429 -2.260 -0.860) 5.046 ======================= Grid point 512 (199/670) ======================= q-point: ( 0.63 0.37 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.317 ( 4.754 9.476 -0.801) 10.631 5.634 ( 0.718 -0.861 -0.680) 1.312 6.872 ( 8.109 10.165 0.378) 13.008 9.782 ( -0.431 1.222 -0.226) 1.315 10.000 ( 4.493 -0.081 1.578) 4.763 10.258 ( -4.098 -3.268 -0.056) 5.242 11.274 ( -4.758 -3.750 -0.199) 6.062 11.368 ( 2.071 0.800 0.251) 2.234 11.912 ( -2.628 -1.865 -0.465) 3.256 ======================= Grid point 513 (200/670) ======================= q-point: ( 0.68 0.37 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.437 ( 1.905 3.691 -0.098) 4.155 5.623 ( 0.130 -0.720 -0.363) 0.817 7.049 ( 2.443 5.428 0.269) 5.959 9.741 ( -1.984 -1.538 0.359) 2.535 10.091 ( 1.939 2.541 0.224) 3.204 10.184 ( -0.913 -2.153 -0.214) 2.348 11.189 ( -1.400 -2.333 -0.044) 2.721 11.397 ( 0.279 0.787 0.099) 0.840 11.872 ( -0.262 -1.062 -0.173) 1.107 ======================= Grid point 514 (201/670) ======================= q-point: (-0.26 0.37 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.445 ( -3.139 -0.131 -0.077) 3.143 5.640 ( 2.136 0.298 -0.102) 2.159 7.035 ( -7.039 -0.293 0.102) 7.046 9.718 ( 0.582 -0.474 0.124) 0.761 10.091 ( -3.755 0.217 0.140) 3.764 10.185 ( 2.329 0.147 -0.098) 2.335 11.192 ( 3.002 -0.017 -0.015) 3.002 11.392 ( -1.326 -0.071 0.039) 1.328 11.882 ( 2.035 0.124 -0.082) 2.041 ======================= Grid point 515 (202/670) ======================= q-point: (-0.21 0.37 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.330 ( -9.484 -1.268 -0.638) 9.589 5.677 ( 1.327 -0.995 -0.211) 1.672 6.839 ( -13.101 -2.513 -0.023) 13.340 9.742 ( 1.439 -0.230 -0.154) 1.466 9.983 ( -6.357 -2.481 0.647) 6.855 10.262 ( 4.458 2.670 0.286) 5.204 11.279 ( 5.869 1.930 -0.110) 6.179 11.354 ( -2.126 -1.520 0.074) 2.615 11.940 ( 3.865 1.590 -0.200) 4.184 ======================= Grid point 516 (203/670) ======================= q-point: (-0.16 0.37 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.105 ( -16.127 0.273 -1.638) 16.213 5.594 ( -7.760 -8.428 -0.497) 11.467 6.628 ( -10.254 3.660 -0.168) 10.889 9.675 ( -7.514 -4.213 -0.599) 8.635 9.932 ( 2.509 -0.342 1.806) 3.110 10.366 ( 3.504 3.974 0.626) 5.334 11.295 ( -1.841 -3.290 0.181) 3.774 11.417 ( 7.892 2.363 -0.239) 8.241 12.036 ( 4.867 2.887 -0.452) 5.677 ======================= Grid point 517 (204/670) ======================= q-point: (-0.11 0.37 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.794 ( -22.301 3.764 -2.811) 22.790 5.245 ( -18.717 -14.408 -0.552) 23.627 6.576 ( -6.072 11.069 -0.545) 12.637 9.476 ( -9.204 -5.368 -0.282) 10.659 10.000 ( 3.384 0.580 2.228) 4.093 10.453 ( 1.920 4.251 0.937) 4.757 11.235 ( -0.620 -4.869 0.218) 4.913 11.587 ( 10.525 1.108 -0.257) 10.587 12.148 ( 4.781 3.398 -0.745) 5.913 ======================= Grid point 518 (205/670) ======================= q-point: (-0.05 0.37 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.424 ( -27.381 8.287 -3.875) 28.869 4.754 ( -22.744 -11.925 -0.393) 25.683 6.573 ( -9.520 13.444 -0.960) 16.502 9.284 ( -7.747 -4.023 -0.127) 8.730 10.047 ( 0.026 1.268 2.505) 2.808 10.524 ( 1.787 3.702 1.224) 4.289 11.185 ( 0.869 -5.660 0.189) 5.729 11.788 ( 13.659 -1.721 -0.184) 13.768 12.249 ( 3.721 2.842 -1.010) 4.790 ======================= Grid point 527 (206/670) ======================= q-point: ( 0.42 0.42 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.436 ( -0.000 14.567 0.730) 14.585 4.443 ( -0.000 31.747 -3.527) 31.943 6.647 ( -0.000 17.312 -1.556) 17.382 9.080 ( -0.000 3.484 -0.561) 3.528 10.137 ( -0.000 1.878 2.991) 3.532 10.589 ( -0.000 -0.292 1.354) 1.385 11.117 ( 0.000 -4.066 0.244) 4.074 11.897 ( 0.000 -13.880 0.059) 13.880 12.281 ( 0.000 -1.376 -1.565) 2.084 ======================= Grid point 528 (207/670) ======================= q-point: ( 0.47 0.42 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.665 ( 11.561 11.339 0.344) 16.197 4.730 ( 1.333 26.757 -3.256) 26.987 6.750 ( -4.299 12.432 -1.262) 13.215 9.154 ( 5.216 3.228 -0.411) 6.147 10.141 ( -0.833 -1.495 2.893) 3.361 10.575 ( -2.558 0.989 1.216) 3.000 11.110 ( 3.169 -3.275 0.218) 4.562 11.757 ( -2.760 -10.004 -0.134) 10.378 12.241 ( -2.550 -1.426 -1.311) 3.202 ======================= Grid point 529 (208/670) ======================= q-point: ( 0.53 0.42 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.972 ( 3.496 18.869 -2.565) 19.361 5.024 ( 16.842 8.991 -0.139) 19.092 6.751 ( -6.578 8.578 -0.782) 10.838 9.313 ( 9.685 3.554 -0.387) 10.323 10.096 ( -2.146 -4.155 2.612) 5.356 10.529 ( -4.423 0.917 0.838) 4.594 11.155 ( 5.036 -1.972 0.235) 5.413 11.615 ( -4.767 -6.198 -0.237) 7.822 12.163 ( -4.608 -1.432 -0.962) 4.920 ======================= Grid point 530 (209/670) ======================= q-point: ( 0.58 0.42 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.173 ( 3.145 13.009 -1.852) 13.511 5.376 ( 15.968 3.501 -0.247) 16.349 6.731 ( -2.904 6.525 -0.271) 7.147 9.533 ( 11.950 4.041 -0.539) 12.626 10.010 ( -3.174 -5.262 2.153) 6.512 10.447 ( -5.988 -0.209 0.406) 6.005 11.233 ( 5.402 -0.649 0.187) 5.444 11.477 ( -6.032 -3.350 -0.225) 6.903 12.061 ( -5.469 -1.195 -0.554) 5.625 ======================= Grid point 531 (210/670) ======================= q-point: ( 0.63 0.42 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.319 ( 3.754 6.120 -0.860) 7.231 5.582 ( 6.188 0.434 -0.203) 6.207 6.812 ( 6.121 4.485 -0.055) 7.589 9.759 ( 8.513 4.026 -1.092) 9.480 9.921 ( -0.466 -4.761 1.841) 5.126 10.332 ( -6.693 -0.953 0.095) 6.762 11.315 ( 4.231 0.054 0.028) 4.231 11.348 ( -6.236 -1.573 -0.092) 6.432 11.963 ( -4.808 -0.634 -0.160) 4.853 ======================= Grid point 532 (211/670) ======================= q-point: (-0.32 -0.58 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.411 ( 3.475 0.350 -0.073) 3.494 5.625 ( 0.072 0.356 0.135) 0.387 6.974 ( 8.700 -0.200 -0.184) 8.704 9.781 ( -3.478 -0.134 -0.437) 3.508 10.010 ( 8.650 -0.522 0.345) 8.673 10.224 ( -5.026 0.033 -0.023) 5.026 11.238 ( -5.246 0.094 -0.015) 5.246 11.376 ( 2.570 -0.123 -0.057) 2.573 11.895 ( -2.886 0.228 0.128) 2.897 ======================= Grid point 533 (212/670) ======================= q-point: (-0.26 -0.58 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.439 ( 1.621 -3.433 0.170) 3.800 5.630 ( 0.056 1.379 0.423) 1.443 7.044 ( 2.447 -5.924 -0.333) 6.418 9.732 ( -2.037 0.832 -0.596) 2.280 10.091 ( 2.319 -2.831 0.164) 3.663 10.185 ( -0.895 2.376 -0.078) 2.540 11.190 ( -1.466 2.423 0.055) 2.832 11.395 ( 0.324 -0.982 -0.129) 1.042 11.876 ( -0.357 1.418 0.241) 1.482 ======================= Grid point 534 (213/670) ======================= q-point: (-0.21 0.42 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.397 ( -2.008 -4.549 -0.156) 4.975 5.652 ( 0.691 0.241 0.359) 0.816 6.943 ( -5.042 -8.196 -0.340) 9.629 9.727 ( 0.162 1.205 -0.612) 1.361 10.034 ( -3.734 -5.833 0.269) 6.931 10.237 ( 2.713 5.001 0.182) 5.692 11.236 ( 2.648 4.337 -0.008) 5.081 11.367 ( -1.593 -2.425 -0.098) 2.903 11.912 ( 2.053 2.880 0.158) 3.541 ======================= Grid point 535 (214/670) ======================= q-point: (-0.16 0.42 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.285 ( -6.930 -2.885 -0.904) 7.561 5.610 ( -3.878 -6.847 -0.085) 7.870 6.779 ( -6.164 -2.137 -0.221) 6.528 9.718 ( -2.617 -3.276 -0.592) 4.234 9.916 ( -1.994 -3.152 0.912) 3.840 10.352 ( 3.871 5.927 0.450) 7.094 11.299 ( -2.559 -3.969 0.043) 4.723 11.345 ( 4.700 4.526 -0.163) 6.527 11.996 ( 3.744 4.095 -0.085) 5.549 ======================= Grid point 536 (215/670) ======================= q-point: (-0.11 0.42 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.106 ( -12.610 0.811 -1.881) 12.775 5.360 ( -12.533 -14.727 -0.428) 19.343 6.736 ( -2.406 7.292 -0.321) 7.685 9.556 ( -7.789 -7.417 -0.310) 10.760 9.941 ( 3.939 0.388 1.559) 4.254 10.467 ( 2.627 5.648 0.707) 6.269 11.211 ( -2.292 -5.275 0.138) 5.753 11.474 ( 5.933 3.424 -0.247) 6.854 12.107 ( 4.327 4.403 -0.420) 6.188 ======================= Grid point 537 (216/670) ======================= q-point: (-0.05 0.42 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.869 ( -18.323 5.222 -2.695) 19.242 4.960 ( -16.904 -13.506 -0.548) 21.643 6.790 ( -2.963 10.743 -0.738) 11.168 9.361 ( -7.101 -5.897 -0.160) 9.231 10.020 ( 3.955 0.069 2.229) 4.540 10.550 ( 0.951 4.855 1.008) 5.049 11.130 ( -0.838 -5.722 0.180) 5.786 11.608 ( 7.556 1.047 -0.294) 7.634 12.214 ( 3.758 3.535 -0.777) 5.218 ======================= Grid point 547 (217/670) ======================= q-point: ( 0.47 0.47 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.662 ( -0.000 8.537 0.194) 8.539 4.950 ( -0.000 21.945 -3.077) 22.159 6.888 ( -0.000 8.825 -0.988) 8.880 9.133 ( -0.000 2.178 -0.166) 2.185 10.134 ( -0.000 -3.184 2.412) 3.994 10.615 ( -0.000 1.670 1.129) 2.016 11.052 ( 0.000 -2.706 0.072) 2.707 11.699 ( 0.000 -6.696 -0.231) 6.700 12.248 ( 0.000 -1.119 -0.976) 1.484 ======================= Grid point 548 (218/670) ======================= q-point: ( 0.53 0.47 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.827 ( 11.053 5.431 -0.102) 12.316 5.127 ( 0.411 15.357 -2.469) 15.559 6.915 ( -4.559 5.524 -0.564) 7.184 9.202 ( 5.977 1.776 -0.026) 6.235 10.093 ( -1.376 -3.866 1.750) 4.461 10.607 ( -2.994 1.297 0.762) 3.351 11.062 ( 3.632 -1.676 0.030) 4.000 11.627 ( -2.452 -3.740 -0.229) 4.478 12.213 ( -2.734 -0.809 -0.559) 2.906 ======================= Grid point 549 (219/670) ======================= q-point: ( 0.58 0.47 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.107 ( 16.567 2.430 -0.346) 16.747 5.247 ( 1.526 7.828 -1.521) 8.119 6.857 ( -6.184 2.870 -0.159) 6.820 9.362 ( 10.875 1.500 0.008) 10.978 10.026 ( -2.901 -3.184 0.917) 4.404 10.546 ( -5.279 0.309 0.333) 5.299 11.132 ( 5.645 -0.619 -0.020) 5.679 11.543 ( -4.494 -1.517 -0.151) 4.745 12.142 ( -4.836 -0.363 -0.115) 4.851 ======================= Grid point 550 (220/670) ======================= q-point: (-0.37 -0.53 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.298 ( 3.020 0.705 -0.670) 3.172 5.411 ( 14.060 0.160 -0.081) 14.061 6.795 ( -1.952 0.118 -0.026) 1.956 9.578 ( 13.220 0.366 0.035) 13.225 9.946 ( -3.983 -1.141 -0.061) 4.143 10.444 ( -6.731 -0.168 0.056) 6.733 11.227 ( 5.794 -0.112 -0.139) 5.797 11.447 ( -6.005 0.105 -0.042) 6.006 12.052 ( -5.635 0.292 0.279) 5.649 ======================= Grid point 551 (221/670) ======================= q-point: (-0.32 -0.53 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.328 ( 3.643 -5.014 0.157) 6.199 5.587 ( 6.376 0.065 0.462) 6.394 6.809 ( 5.890 -4.587 -0.310) 7.472 9.774 ( 8.857 -3.154 0.374) 9.409 9.893 ( -0.765 2.503 -1.283) 2.915 10.331 ( -6.592 0.783 -0.053) 6.639 11.313 ( 4.408 -0.243 -0.247) 4.422 11.349 ( -6.404 1.727 0.062) 6.633 11.969 ( -4.869 1.151 0.551) 5.033 ======================= Grid point 552 (222/670) ======================= q-point: (-0.26 -0.53 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.330 ( 4.409 -8.771 0.658) 9.839 5.649 ( 0.746 1.416 0.946) 1.860 6.863 ( 7.963 -10.443 -0.629) 13.148 9.780 ( -1.813 -0.393 -0.535) 1.930 9.978 ( 6.145 -1.792 -0.905) 6.465 10.257 ( -3.941 3.175 -0.088) 5.061 11.278 ( -4.822 3.909 0.170) 6.210 11.363 ( 2.139 -1.015 -0.329) 2.390 11.922 ( -2.772 2.290 0.669) 3.657 ======================= Grid point 553 (223/670) ======================= q-point: (-0.21 -0.53 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.311 ( 3.903 -9.858 0.730) 10.628 5.661 ( -0.759 0.257 0.952) 1.245 6.846 ( 3.826 -12.687 -0.605) 13.265 9.750 ( -1.381 0.146 -0.675) 1.544 10.000 ( 0.565 -4.808 -0.773) 4.903 10.268 ( 0.070 5.571 -0.092) 5.572 11.275 ( -1.205 5.923 0.181) 6.047 11.359 ( -0.465 -2.483 -0.317) 2.546 11.929 ( -0.089 3.762 0.631) 3.816 ======================= Grid point 554 (224/670) ======================= q-point: (-0.16 -0.53 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.273 ( 1.749 -8.176 0.391) 8.370 5.605 ( -3.493 -6.956 0.447) 7.797 6.780 ( 1.070 -6.533 -0.242) 6.624 9.715 ( -1.508 -4.415 -0.155) 4.667 9.930 ( -2.765 -2.092 -0.839) 3.567 10.356 ( 2.960 6.552 0.012) 7.190 11.301 ( -2.401 -4.134 -0.222) 4.786 11.343 ( 1.767 6.272 0.102) 6.517 11.992 ( 2.107 5.014 0.439) 5.457 ======================= Grid point 555 (225/670) ======================= q-point: (-0.11 0.47 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.211 ( -2.118 -4.382 -0.256) 4.874 5.391 ( -8.762 -15.333 -0.080) 17.660 6.791 ( 2.082 3.463 -0.014) 4.041 9.586 ( -5.184 -9.194 0.011) 10.554 9.912 ( 0.601 1.985 -0.163) 2.080 10.475 ( 3.378 6.087 0.160) 6.963 11.206 ( -3.130 -5.294 -0.067) 6.150 11.441 ( 3.040 5.144 -0.017) 5.975 12.090 ( 3.215 5.277 0.113) 6.181 ======================= Grid point 556 (226/670) ======================= q-point: (-0.05 0.47 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.052 ( -11.620 -15.043 0.042) 19.008 5.116 ( -7.501 0.055 -1.274) 7.609 6.887 ( 1.693 7.851 -0.272) 8.036 9.404 ( -5.807 -7.657 -0.088) 9.611 9.963 ( 3.015 1.018 0.918) 3.312 10.577 ( 2.061 5.051 0.389) 5.469 11.104 ( -2.468 -5.500 0.084) 6.029 11.538 ( 3.601 3.119 -0.139) 4.767 12.191 ( 3.138 4.251 -0.296) 5.292 ======================= Grid point 567 (227/670) ======================= q-point: ( 0.53 0.53 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.771 ( -0.000 2.761 -0.355) 2.783 5.236 ( -0.000 8.569 -1.922) 8.782 6.994 ( -0.000 2.820 -0.146) 2.824 9.162 ( -0.000 0.768 0.231) 0.802 10.077 ( 0.000 -2.724 0.790) 2.836 10.646 ( -0.000 0.712 0.483) 0.861 11.016 ( 0.000 -0.958 -0.133) 0.967 11.621 ( 0.000 -1.641 -0.153) 1.648 12.231 ( 0.000 -0.253 -0.088) 0.267 ======================= Grid point 568 (228/670) ======================= q-point: (-0.42 -0.47 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.877 ( 10.852 -0.041 -0.566) 10.867 5.278 ( 0.092 0.970 -1.124) 1.487 6.969 ( -4.595 0.302 0.274) 4.613 9.221 ( 6.343 0.073 0.379) 6.355 10.046 ( -1.612 -0.878 -0.220) 1.849 10.620 ( -3.238 -0.328 0.093) 3.256 11.045 ( 3.856 -0.048 -0.215) 3.863 11.594 ( -2.367 0.106 -0.048) 2.370 12.208 ( -2.805 0.309 0.376) 2.846 ======================= Grid point 569 (229/670) ======================= q-point: (-0.37 -0.47 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.105 ( 16.786 -2.362 -0.548) 16.960 5.259 ( 1.427 -6.191 -0.218) 6.357 6.863 ( -6.332 -2.388 0.484) 6.784 9.366 ( 10.953 -1.224 0.500) 11.033 10.007 ( -2.998 1.427 -1.248) 3.547 10.542 ( -5.196 -0.805 -0.159) 5.260 11.129 ( 5.621 0.464 -0.322) 5.649 11.544 ( -4.492 1.700 0.043) 4.803 12.149 ( -4.861 0.943 0.755) 5.009 ======================= Grid point 570 (230/670) ======================= q-point: (-0.32 -0.47 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.192 ( 3.110 -11.666 0.364) 12.079 5.379 ( 16.362 -3.421 0.134) 16.717 6.736 ( -3.387 -6.226 0.280) 7.094 9.545 ( 12.217 -3.763 0.701) 12.802 9.971 ( -3.457 3.811 -2.241) 5.612 10.441 ( -5.830 -0.149 -0.262) 5.838 11.228 ( 5.397 0.510 -0.409) 5.436 11.480 ( -6.023 3.459 0.107) 6.947 12.075 ( -5.544 1.690 0.993) 5.881 ======================= Grid point 571 (231/670) ======================= q-point: (-0.26 -0.47 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.131 ( 5.418 -15.414 1.022) 16.370 5.577 ( 9.641 -2.200 0.892) 9.929 6.645 ( 2.934 -11.562 -0.298) 11.932 9.678 ( 8.686 -6.444 0.874) 10.850 9.961 ( -1.806 4.798 -2.947) 5.914 10.356 ( -4.619 1.726 -0.315) 4.941 11.307 ( 3.576 -0.006 -0.441) 3.603 11.419 ( -6.242 5.566 0.159) 8.364 12.012 ( -4.567 2.667 1.088) 5.400 ======================= Grid point 572 (232/670) ======================= q-point: (-0.21 -0.47 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.088 ( 7.561 -16.395 1.442) 18.112 5.654 ( 2.036 -3.198 1.294) 4.006 6.607 ( 7.354 -13.886 -0.585) 15.724 9.712 ( 3.206 -6.973 0.634) 7.701 9.976 ( -0.513 2.801 -2.888) 4.056 10.329 ( -1.607 3.979 -0.401) 4.310 11.336 ( 0.690 -1.343 -0.444) 1.574 11.390 ( -4.581 7.467 0.221) 8.763 11.989 ( -2.180 4.057 1.070) 4.729 ======================= Grid point 573 (233/670) ======================= q-point: (-0.16 -0.47 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.077 ( 8.466 -14.735 1.622) 17.071 5.582 ( -3.040 -10.787 0.829) 11.238 6.628 ( 8.084 -7.541 -0.123) 11.056 9.665 ( 0.189 -8.744 0.547) 8.763 9.970 ( -2.146 2.701 -2.637) 4.342 10.376 ( 1.662 5.315 -0.475) 5.589 11.301 ( -2.045 -3.207 -0.413) 3.825 11.412 ( -1.910 7.990 0.272) 8.220 12.024 ( 0.369 5.423 0.940) 5.516 ======================= Grid point 574 (234/670) ======================= q-point: (-0.11 -0.47 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.092 ( 7.432 -10.971 1.500) 13.336 5.357 ( -6.394 -18.217 0.259) 19.309 6.733 ( 7.578 1.372 0.343) 7.709 9.553 ( -2.395 -10.394 0.401) 10.674 9.956 ( -2.223 3.883 -1.999) 4.901 10.472 ( 3.450 5.253 -0.479) 6.303 11.213 ( -3.510 -4.599 -0.281) 5.793 11.472 ( 0.056 6.815 0.235) 6.819 12.102 ( 1.861 5.818 0.678) 6.146 ======================= Grid point 587 (235/670) ======================= q-point: (-0.42 -0.42 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.766 ( 0.000 -2.875 -0.882) 3.007 5.248 ( 0.000 -6.647 -0.513) 6.666 7.002 ( 0.000 -2.204 0.747) 2.327 9.165 ( -0.000 -0.672 0.606) 0.905 10.059 ( 0.000 1.124 -1.214) 1.654 10.640 ( 0.000 -1.407 -0.232) 1.426 11.014 ( -0.000 0.921 -0.327) 0.977 11.623 ( -0.000 1.822 0.041) 1.822 12.239 ( -0.000 0.841 0.825) 1.179 ======================= Grid point 588 (236/670) ======================= q-point: (-0.37 -0.42 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.819 ( 11.195 -5.519 -1.008) 12.522 5.150 ( 0.382 -13.706 0.130) 13.712 6.929 ( -4.672 -4.990 1.061) 6.918 9.209 ( 6.018 -1.654 0.755) 6.287 10.060 ( -1.447 2.555 -2.056) 3.584 10.596 ( -2.883 -1.843 -0.438) 3.449 11.058 ( 3.572 1.622 -0.417) 3.946 11.630 ( -2.450 3.828 0.081) 4.546 12.228 ( -2.754 1.314 1.160) 3.264 ======================= Grid point 589 (237/670) ======================= q-point: (-0.32 -0.42 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.989 ( 8.845 -13.809 -0.525) 16.408 5.030 ( 11.837 -12.848 0.458) 17.476 6.767 ( -6.925 -8.153 1.080) 10.752 9.324 ( 9.780 -3.419 0.864) 10.396 10.050 ( -2.316 3.258 -2.714) 4.832 10.517 ( -4.262 -1.313 -0.496) 4.487 11.149 ( 4.989 1.927 -0.485) 5.370 11.617 ( -4.748 6.159 0.068) 7.777 12.183 ( -4.663 1.830 1.344) 5.187 ======================= Grid point 590 (238/670) ======================= q-point: (-0.26 -0.42 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.862 ( 5.103 -22.395 1.096) 22.995 5.268 ( 19.895 -8.679 -0.031) 21.705 6.565 ( -5.457 -11.510 0.756) 12.761 9.454 ( 10.232 -5.785 0.933) 11.791 10.033 ( -2.286 3.225 -3.153) 5.057 10.437 ( -4.098 0.113 -0.521) 4.133 11.247 ( 4.290 1.747 -0.498) 4.659 11.594 ( -6.421 8.595 0.042) 10.729 12.124 ( -5.098 2.544 1.394) 5.866 ======================= Grid point 591 (239/670) ======================= q-point: (-0.21 -0.42 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.760 ( 8.945 -23.247 1.689) 24.966 5.468 ( 13.494 -10.890 0.639) 17.352 6.399 ( 0.892 -12.574 0.273) 12.608 9.541 ( 7.429 -8.133 0.928) 11.055 10.021 ( -1.430 2.786 -3.354) 4.589 10.390 ( -2.328 2.019 -0.599) 3.139 11.311 ( 1.763 0.676 -0.488) 1.950 11.574 ( -6.889 10.512 0.063) 12.569 12.081 ( -3.718 3.697 1.361) 5.417 ======================= Grid point 592 (240/670) ======================= q-point: (-0.16 -0.42 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.727 ( 12.460 -21.580 2.275) 25.022 5.463 ( 2.244 -18.179 0.707) 18.330 6.398 ( 10.056 -6.585 0.328) 12.025 9.545 ( 3.264 -9.932 0.781) 10.483 10.020 ( -0.894 2.735 -3.268) 4.355 10.398 ( 0.391 3.517 -0.750) 3.618 11.308 ( -1.598 -1.253 -0.460) 2.083 11.570 ( -5.989 11.014 0.153) 12.538 12.086 ( -1.203 5.108 1.265) 5.398 ======================= Grid point 593 (241/670) ======================= q-point: (-0.11 -0.42 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.771 ( 14.453 -17.909 2.741) 23.176 5.241 ( -3.102 -23.325 0.366) 23.533 6.571 ( 12.648 0.049 0.712) 12.668 9.472 ( 0.034 -10.551 0.507) 10.563 10.022 ( -1.394 3.292 -2.893) 4.598 10.461 ( 2.731 3.924 -0.912) 4.867 11.237 ( -3.954 -2.990 -0.366) 4.971 11.585 ( -4.355 9.692 0.255) 10.629 12.140 ( 0.679 5.756 1.076) 5.895 ======================= Grid point 607 (242/670) ======================= q-point: (-0.37 -0.37 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.649 ( 0.000 -8.640 -1.344) 8.743 4.980 ( 0.000 -20.542 0.443) 20.547 6.909 ( 0.000 -8.376 1.463) 8.503 9.143 ( -0.000 -2.085 0.938) 2.286 10.090 ( 0.000 2.342 -2.594) 3.495 10.599 ( 0.000 -2.097 -0.611) 2.184 11.047 ( -0.000 2.688 -0.464) 2.728 11.701 ( -0.000 6.639 0.047) 6.639 12.269 ( -0.000 1.507 1.428) 2.076 ======================= Grid point 608 (243/670) ======================= q-point: (-0.32 -0.37 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.649 ( 11.749 -11.449 -1.446) 16.469 4.765 ( 1.380 -25.674 0.781) 25.722 6.775 ( -4.453 -12.109 1.605) 13.001 9.167 ( 5.236 -3.131 1.050) 6.190 10.091 ( -0.928 1.117 -2.893) 3.237 10.558 ( -2.459 -1.273 -0.620) 2.838 11.103 ( 3.120 3.271 -0.506) 4.549 11.758 ( -2.747 9.807 -0.049) 10.185 12.267 ( -2.576 1.696 1.544) 3.448 ======================= Grid point 609 (244/670) ======================= q-point: (-0.26 -0.37 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.539 ( 4.016 -28.823 0.868) 29.115 4.806 ( 20.308 -13.704 -0.900) 24.516 6.550 ( -6.416 -15.272 1.499) 16.633 9.248 ( 8.198 -4.822 1.076) 9.571 10.067 ( -1.089 -0.459 -3.008) 3.232 10.499 ( -3.531 0.155 -0.596) 3.585 11.199 ( 4.125 3.395 -0.502) 5.366 11.798 ( -5.468 12.707 -0.150) 13.835 12.230 ( -4.194 2.073 1.531) 4.923 ======================= Grid point 610 (245/670) ======================= q-point: (-0.21 -0.37 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.359 ( 8.488 -29.662 1.443) 30.887 5.023 ( 21.701 -16.766 -0.437) 27.427 6.305 ( -3.927 -15.872 1.237) 16.397 9.336 ( 8.180 -6.884 1.014) 10.739 10.035 ( -0.336 -1.544 -3.031) 3.418 10.449 ( -3.049 1.849 -0.637) 3.622 11.288 ( 2.719 2.684 -0.468) 3.849 11.819 ( -7.665 14.660 -0.181) 16.544 12.185 ( -4.181 2.878 1.449) 5.278 ======================= Grid point 611 (246/670) ======================= q-point: (-0.16 -0.37 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.270 ( 13.773 -28.014 2.236) 31.296 5.133 ( 12.765 -23.585 0.023) 26.818 6.184 ( 6.251 -10.442 1.001) 12.211 9.380 ( 5.531 -8.870 0.837) 10.487 10.017 ( 1.109 -1.476 -2.983) 3.508 10.435 ( -1.347 3.310 -0.774) 3.656 11.325 ( -0.575 0.893 -0.432) 1.147 11.824 ( -8.919 15.129 -0.112) 17.563 12.166 ( -2.397 4.132 1.351) 4.964 ======================= Grid point 612 (247/670) ======================= q-point: (-0.11 -0.37 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.294 ( 18.386 -24.349 3.143) 30.673 4.996 ( 2.881 -28.398 0.228) 28.544 6.317 ( 15.661 -3.977 0.976) 16.187 9.355 ( 2.274 -9.786 0.513) 10.060 10.026 ( 1.892 -0.489 -2.806) 3.419 10.463 ( 0.751 3.936 -0.990) 4.127 11.283 ( -3.868 -1.124 -0.354) 4.043 11.813 ( -9.092 13.842 0.029) 16.561 12.193 ( -0.269 5.017 1.220) 5.170 ======================= Grid point 627 (248/670) ======================= q-point: (-0.32 -0.32 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.415 ( 0.000 -14.661 -1.712) 14.760 4.479 ( 0.000 -30.944 0.630) 30.950 6.676 ( 0.000 -17.159 1.809) 17.254 9.095 ( 0.000 -3.395 1.204) 3.602 10.086 ( 0.000 -1.838 -2.842) 3.384 10.572 ( 0.000 0.143 -0.594) 0.611 11.111 ( -0.000 4.073 -0.523) 4.107 11.895 ( -0.000 13.605 -0.197) 13.607 12.308 ( -0.000 1.520 1.586) 2.196 ======================= Grid point 628 (249/670) ======================= q-point: (-0.26 -0.32 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.181 ( 2.338 -34.018 0.528) 34.102 4.364 ( 12.778 -17.552 -1.588) 21.768 6.461 ( -3.303 -21.684 1.767) 22.006 9.101 ( 4.374 -4.327 1.260) 6.280 10.044 ( -0.154 -4.598 -2.675) 5.322 10.559 ( -2.526 2.021 -0.526) 3.277 11.176 ( 2.757 4.397 -0.508) 5.214 12.014 ( -3.260 16.594 -0.294) 16.914 12.307 ( -2.269 1.587 1.489) 3.144 ======================= Grid point 629 (250/670) ======================= q-point: (-0.21 -0.32 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.920 ( 6.691 -34.983 0.828) 35.627 4.471 ( 21.090 -20.349 -1.236) 29.332 6.183 ( -3.095 -23.793 1.587) 24.046 9.152 ( 6.647 -5.748 1.181) 8.867 9.985 ( 0.628 -6.375 -2.503) 6.877 10.531 ( -3.705 3.772 -0.529) 5.314 11.270 ( 3.163 4.031 -0.448) 5.144 12.100 ( -6.499 18.006 -0.238) 19.145 12.279 ( -3.516 2.328 1.262) 4.402 ======================= Grid point 630 (251/670) ======================= q-point: (-0.16 -0.32 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.751 ( 12.789 -33.509 1.605) 35.903 4.611 ( 20.035 -25.315 -0.695) 32.291 5.960 ( 3.814 -20.703 1.326) 21.093 9.203 ( 6.237 -7.371 0.948) 9.702 9.939 ( 2.467 -6.633 -2.352) 7.457 10.512 ( -3.354 5.173 -0.637) 6.198 11.338 ( 0.872 2.573 -0.387) 2.744 12.142 ( -8.946 17.513 0.014) 19.666 12.253 ( -3.409 4.017 0.941) 5.352 ======================= Grid point 631 (252/670) ======================= q-point: (-0.11 -0.32 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.719 ( 19.363 -29.869 2.769) 35.704 4.594 ( 10.672 -30.987 -0.088) 32.773 5.969 ( 16.395 -13.273 1.019) 21.119 9.214 ( 3.969 -8.507 0.548) 9.404 9.933 ( 4.654 -5.482 -2.172) 7.512 10.518 ( -2.099 5.867 -0.840) 6.287 11.336 ( -2.779 0.454 -0.315) 2.833 12.141 ( -11.076 16.824 0.061) 20.143 12.253 ( -1.621 4.475 0.911) 4.846 ======================= Grid point 647 (253/670) ======================= q-point: (-0.26 -0.26 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.814 ( 0.000 -37.459 0.209) 37.460 4.061 ( 0.000 -20.770 -1.980) 20.864 6.250 ( 0.000 -28.159 1.742) 28.212 9.026 ( 0.000 -4.485 1.385) 4.694 9.975 ( 0.000 -8.070 -2.319) 8.397 10.612 ( -0.000 4.483 -0.379) 4.499 11.195 ( -0.000 4.817 -0.510) 4.844 12.214 ( -0.000 18.278 -0.158) 18.279 12.347 ( -0.000 2.333 1.133) 2.594 ======================= Grid point 648 (254/670) ======================= q-point: (-0.21 -0.26 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.473 ( 3.875 -38.667 0.071) 38.861 3.956 ( 13.325 -23.573 -1.851) 27.142 5.947 ( -0.813 -32.514 1.574) 32.562 9.016 ( 3.600 -5.188 1.364) 6.461 9.884 ( 0.788 -10.321 -2.026) 10.547 10.639 ( -3.019 6.502 -0.306) 7.175 11.262 ( 2.355 4.701 -0.454) 5.277 12.315 ( -2.098 4.144 1.419) 4.857 12.407 ( -3.579 17.788 -0.624) 18.155 ======================= Grid point 649 (255/670) ======================= q-point: (-0.16 -0.26 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.216 ( 9.958 -37.564 0.566) 38.865 4.006 ( 20.552 -26.776 -1.350) 33.781 5.645 ( 3.617 -32.466 1.314) 32.693 9.042 ( 5.283 -6.202 1.136) 8.226 9.802 ( 2.711 -11.002 -1.783) 11.471 10.642 ( -4.543 7.876 -0.372) 9.100 11.343 ( 1.944 3.677 -0.361) 4.175 12.301 ( -2.342 1.561 1.386) 3.137 12.502 ( -7.841 20.790 -0.681) 22.230 ======================= Grid point 650 (256/670) ======================= q-point: (-0.11 -0.26 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.101 ( 17.675 -34.127 1.775) 38.474 4.052 ( 17.226 -31.512 -0.547) 35.917 5.512 ( 15.585 -26.256 0.898) 30.546 9.066 ( 4.699 -7.163 0.669) 8.593 9.764 ( 5.666 -10.002 -1.513) 11.595 10.643 ( -4.575 8.550 -0.551) 9.713 11.379 ( -1.064 1.723 -0.274) 2.044 12.291 ( -1.243 2.167 1.238) 2.788 12.535 ( -11.553 19.733 -0.529) 22.873 ======================= Grid point 667 (257/670) ======================= q-point: (-0.21 -0.21 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.054 ( 0.000 -40.326 -0.548) 40.330 3.590 ( 0.000 -26.608 -2.152) 26.695 5.603 ( 0.000 -39.453 1.416) 39.478 8.940 ( 0.000 -5.203 1.452) 5.402 9.757 ( 0.000 -12.954 -1.675) 13.062 10.741 ( -0.000 8.765 -0.102) 8.766 11.286 ( -0.000 4.803 -0.449) 4.824 12.347 ( -0.000 0.239 1.329) 1.350 12.640 ( -0.000 22.120 -0.718) 22.132 ======================= Grid point 668 (258/670) ======================= q-point: (-0.16 -0.21 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.708 ( 5.669 -39.734 -0.601) 40.141 3.434 ( 13.680 -29.133 -1.937) 32.243 5.225 ( 3.135 -42.612 1.186) 42.744 8.918 ( 2.967 -5.581 1.325) 6.458 9.635 ( 1.890 -14.059 -1.398) 14.254 10.801 ( -3.608 10.102 -0.077) 10.728 11.348 ( 1.752 4.230 -0.368) 4.593 12.340 ( -1.131 -0.112 1.142) 1.612 12.816 ( -4.524 22.047 -0.641) 22.515 ======================= Grid point 669 (259/670) ======================= q-point: (-0.11 -0.21 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.494 ( 13.666 -36.754 0.334) 39.214 3.428 ( 19.384 -31.970 -1.152) 37.405 4.951 ( 13.334 -39.533 0.779) 41.729 8.928 ( 4.200 -6.080 0.879) 7.442 9.554 ( 5.077 -13.438 -1.072) 14.406 10.823 ( -5.497 10.653 -0.221) 11.989 11.404 ( 0.453 2.713 -0.253) 2.762 12.324 ( -0.938 0.316 0.985) 1.396 12.907 ( -9.153 20.626 -0.503) 22.571 ======================= Grid point 687 (260/670) ======================= q-point: (-0.16 -0.16 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.269 ( 0.000 -39.729 -1.427) 39.754 3.011 ( 0.000 -31.813 -2.226) 31.891 4.748 ( 0.000 -49.382 1.037) 49.393 8.844 ( 0.000 -5.392 1.375) 5.565 9.469 ( 0.000 -15.595 -1.146) 15.637 10.939 ( -0.000 11.348 0.105) 11.348 11.372 ( -0.000 4.144 -0.361) 4.160 12.346 ( -0.000 -0.913 0.943) 1.313 13.065 ( -0.000 21.603 -0.586) 21.611 ======================= Grid point 688 (261/670) ======================= q-point: (-0.11 -0.16 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.951 ( 7.717 -37.399 -1.228) 38.206 2.814 ( 14.167 -33.699 -1.821) 36.601 4.324 ( 8.843 -50.592 0.761) 51.365 8.818 ( 2.479 -5.379 1.099) 6.024 9.339 ( 3.152 -15.437 -0.864) 15.779 11.015 ( -4.072 11.656 0.058) 12.347 11.419 ( 0.940 3.270 -0.262) 3.412 12.334 ( -0.390 -1.009 0.772) 1.329 13.224 ( -5.066 20.012 -0.479) 20.649 ======================= Grid point 707 (262/670) ======================= q-point: (-0.11 -0.11 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.522 ( 0.000 -35.834 -2.180) 35.900 2.340 ( 0.000 -36.118 -2.168) 36.183 3.717 ( 0.000 -57.270 0.767) 57.275 8.750 ( 0.000 -4.938 1.129) 5.066 9.156 ( 0.000 -15.725 -0.749) 15.743 11.167 ( -0.000 11.704 0.194) 11.706 11.440 ( -0.000 3.115 -0.257) 3.125 12.325 ( 0.000 -1.709 0.583) 1.806 13.452 ( -0.000 18.306 -0.419) 18.311 ======================= Grid point 768 (263/670) ======================= q-point: ( 0.11 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 670 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.249 ( -0.000 0.000 14.396) 14.396 0.249 ( -0.000 0.000 14.396) 14.396 0.355 ( -0.000 0.000 20.211) 20.211 8.586 ( 0.000 -0.000 -0.780) 0.780 8.586 ( 0.000 -0.000 -0.780) 0.780 11.528 ( -0.000 0.000 0.248) 0.248 11.528 ( -0.000 0.000 0.248) 0.248 12.224 ( 0.000 -0.000 -0.832) 0.832 14.076 ( -0.000 0.000 0.458) 0.458 ======================= Grid point 769 (264/670) ======================= q-point: ( 0.16 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.519 ( 11.237 6.488 12.313) 17.888 0.833 ( 33.542 19.366 3.841) 38.921 1.350 ( 55.733 32.178 3.680) 64.460 8.610 ( 2.066 1.193 -0.665) 2.477 8.656 ( 6.466 3.733 -0.802) 7.509 11.519 ( -0.873 -0.504 0.248) 1.038 11.522 ( -3.665 -2.116 -1.073) 4.366 12.236 ( 1.397 0.806 -1.224) 2.025 13.975 ( -6.987 -4.034 1.687) 8.243 ======================= Grid point 770 (265/670) ======================= q-point: ( 0.21 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.899 ( 20.719 11.962 3.849) 24.232 1.594 ( 33.311 19.232 1.803) 38.506 2.587 ( 53.723 31.017 1.598) 62.054 8.672 ( 3.572 2.062 -0.601) 4.168 8.858 ( 11.471 6.623 -0.395) 13.252 11.382 ( -8.102 -4.678 -0.043) 9.356 11.490 ( -1.787 -1.032 0.248) 2.079 12.271 ( 1.869 1.079 -1.461) 2.606 13.770 ( -11.745 -6.781 1.068) 13.604 ======================= Grid point 771 (266/670) ======================= q-point: ( 0.26 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.456 ( 28.280 16.327 -1.040) 32.671 2.318 ( 30.888 17.833 1.165) 35.685 3.741 ( 48.971 28.273 0.420) 56.548 8.762 ( 4.529 2.615 -0.595) 5.263 9.148 ( 14.034 8.102 0.302) 16.207 11.179 ( -9.736 -5.621 0.431) 11.250 11.440 ( -2.772 -1.600 0.251) 3.210 12.305 ( 1.491 0.861 -1.547) 2.315 13.460 ( -16.062 -9.274 0.795) 18.564 ======================= Grid point 772 (267/670) ======================= q-point: ( 0.32 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.136 ( 32.660 18.856 -3.335) 37.860 2.974 ( 27.333 15.781 0.938) 31.576 4.764 ( 42.202 24.366 -0.501) 48.734 8.866 ( 4.863 2.808 -0.633) 5.651 9.469 ( 14.125 8.155 1.140) 16.350 10.964 ( -9.329 -5.386 0.790) 10.801 11.368 ( -3.690 -2.131 0.261) 4.269 12.326 ( 0.805 0.465 -1.627) 1.874 13.068 ( -18.896 -10.910 0.662) 21.829 ======================= Grid point 773 (268/670) ======================= q-point: ( 0.37 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.874 ( 33.755 19.488 -4.137) 39.195 3.539 ( 22.932 13.240 0.901) 26.495 5.612 ( 33.674 19.441 -1.227) 38.902 8.971 ( 4.627 2.672 -0.689) 5.388 9.769 ( 11.985 6.920 1.990) 13.982 10.781 ( -7.028 -4.058 1.114) 8.191 11.279 ( -4.304 -2.485 0.279) 4.978 12.331 ( -0.057 -0.033 -1.720) 1.721 12.636 ( -19.431 -11.219 0.573) 22.445 ======================= Grid point 774 (269/670) ======================= q-point: ( 0.42 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.600 ( 31.763 18.338 -3.977) 36.892 3.999 ( 17.936 10.355 0.952) 20.733 6.254 ( 24.079 13.902 -1.674) 27.855 9.066 ( 3.954 2.283 -0.737) 4.625 10.000 ( 7.685 4.437 2.736) 9.287 10.666 ( -3.412 -1.970 1.320) 4.155 11.181 ( -4.366 -2.521 0.307) 5.051 12.208 ( -16.349 -9.439 0.080) 18.878 12.332 ( -1.498 -0.865 -1.454) 2.260 ======================= Grid point 775 (270/670) ======================= q-point: ( 0.47 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.250 ( 26.811 15.479 -3.014) 31.105 4.344 ( 12.658 7.308 1.027) 14.652 6.682 ( 14.915 8.611 -1.730) 17.309 9.142 ( 2.995 1.729 -0.764) 3.542 10.114 ( 1.647 0.951 3.162) 3.690 10.634 ( 0.057 0.033 1.218) 1.219 11.090 ( -3.751 -2.165 0.346) 4.345 11.881 ( -11.925 -6.885 -0.033) 13.770 12.307 ( -0.810 -0.468 -1.568) 1.825 ======================= Grid point 776 (271/670) ======================= q-point: ( 0.53 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.571 ( 7.413 4.280 1.089) 8.628 4.759 ( 18.843 10.879 -1.284) 21.796 6.926 ( 7.726 4.461 -1.408) 9.032 9.194 ( 1.878 1.084 -0.773) 2.302 10.100 ( -3.089 -1.783 2.870) 4.578 10.659 ( 1.452 0.838 0.640) 1.794 11.020 ( -2.524 -1.457 0.394) 2.941 11.686 ( -5.556 -3.208 -0.199) 6.419 12.287 ( -0.571 -0.330 -1.297) 1.455 ======================= Grid point 777 (272/670) ======================= q-point: ( 0.58 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.683 ( 2.368 1.367 1.136) 2.961 5.063 ( 7.928 4.577 0.982) 9.207 7.036 ( 2.663 1.538 -0.889) 3.201 9.221 ( 0.687 0.397 -0.780) 1.112 10.030 ( -2.946 -1.701 1.724) 3.814 10.683 ( 0.365 0.211 -0.249) 0.489 10.983 ( -0.907 -0.523 0.440) 1.136 11.615 ( -1.243 -0.718 -0.069) 1.437 12.278 ( 0.095 0.055 -0.851) 0.858 ======================= Grid point 778 (273/670) ======================= q-point: (-0.37 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.685 ( -2.551 -1.473 1.196) 3.180 5.105 ( -4.772 -2.755 3.113) 6.329 7.046 ( -1.619 -0.935 -0.384) 1.908 9.220 ( -0.532 -0.307 -0.804) 1.012 10.002 ( 0.356 0.206 0.321) 0.522 10.668 ( -1.557 -0.899 -1.012) 2.063 10.983 ( 0.835 0.482 0.465) 1.071 11.619 ( 1.591 0.919 0.143) 1.843 12.287 ( 0.855 0.494 -0.391) 1.062 ======================= Grid point 779 (274/670) ======================= q-point: (-0.32 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.575 ( -7.558 -4.364 1.294) 8.823 4.872 ( -16.759 -9.676 4.368) 19.838 6.953 ( -6.983 -4.032 -0.085) 8.064 9.192 ( -1.742 -1.006 -0.858) 2.187 10.033 ( 1.704 0.984 -0.534) 2.038 10.619 ( -2.126 -1.227 -1.339) 2.796 11.022 ( 2.441 1.409 0.457) 2.855 11.696 ( 5.592 3.228 0.260) 6.462 12.311 ( 1.254 0.724 -0.083) 1.450 ======================= Grid point 780 (275/670) ======================= q-point: (-0.26 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.352 ( -12.766 -7.370 1.427) 14.810 4.401 ( -25.990 -15.006 4.588) 30.360 6.715 ( -14.708 -8.491 -0.117) 16.983 9.138 ( -2.885 -1.666 -0.941) 3.462 10.040 ( -1.603 -0.926 -0.551) 1.931 10.585 ( -0.122 -0.070 -1.250) 1.258 11.092 ( 3.655 2.110 0.418) 4.241 11.887 ( 11.634 6.717 0.256) 13.437 12.338 ( 1.148 0.663 0.032) 1.325 ======================= Grid point 781 (276/670) ======================= q-point: (-0.21 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.760 ( -31.915 -18.426 4.100) 37.080 4.012 ( -18.045 -10.418 1.575) 20.896 6.280 ( -24.373 -14.072 -0.404) 28.146 9.059 ( -3.858 -2.228 -1.035) 4.574 9.943 ( -6.935 -4.004 -0.054) 8.008 10.621 ( 3.729 2.153 -0.970) 4.414 11.183 ( 4.270 2.465 0.365) 4.944 12.211 ( 16.724 9.656 0.146) 19.312 12.361 ( 0.953 0.550 0.081) 1.104 ======================= Grid point 782 (277/670) ======================= q-point: (-0.16 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.021 ( -34.661 -20.011 3.285) 40.157 3.556 ( -23.094 -13.333 1.722) 26.722 5.622 ( -34.228 -19.761 -0.719) 39.529 8.962 ( -4.516 -2.607 -1.114) 5.332 9.738 ( -11.171 -6.449 0.459) 12.907 10.746 ( 7.508 4.335 -0.639) 8.693 11.280 ( 4.215 2.434 0.315) 4.878 12.362 ( 0.056 0.033 -0.255) 0.263 12.630 ( 19.272 11.127 0.364) 22.256 ======================= Grid point 783 (278/670) ======================= q-point: (-0.11 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.252 ( -34.358 -19.836 2.475) 39.750 2.994 ( -27.593 -15.931 1.891) 31.918 4.756 ( -42.826 -24.726 -0.878) 49.459 8.855 ( -4.696 -2.712 -1.151) 5.544 9.461 ( -13.459 -7.771 0.752) 15.559 10.941 ( 9.792 5.654 -0.359) 11.313 11.369 ( 3.610 2.084 0.279) 4.178 12.352 ( -0.802 -0.463 -0.383) 1.002 13.061 ( 18.725 10.811 0.348) 21.624 ======================= Grid point 788 (279/670) ======================= q-point: ( 0.16 0.16 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.570 ( -0.000 13.073 12.808) 18.301 0.899 ( -0.000 38.454 5.899) 38.904 1.324 ( -0.000 63.711 2.917) 63.778 8.595 ( 0.000 1.808 -1.195) 2.167 8.665 ( -0.000 8.047 -0.497) 8.062 11.517 ( 0.000 -4.207 -1.044) 4.335 11.522 ( 0.000 -0.914 0.347) 0.978 12.232 ( 0.000 1.582 -1.297) 2.046 13.980 ( 0.000 -8.145 1.680) 8.316 ======================= Grid point 789 (280/670) ======================= q-point: ( 0.21 0.16 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.822 ( 8.610 18.799 6.816) 21.771 1.448 ( 17.622 36.163 3.276) 40.361 2.239 ( 32.464 52.659 1.670) 61.885 8.638 ( 2.656 2.609 -1.108) 3.884 8.801 ( 5.307 10.936 -0.270) 12.159 11.421 ( -4.137 -7.605 -0.273) 8.662 11.507 ( -0.808 -1.116 0.320) 1.415 12.255 ( 1.015 1.814 -1.530) 2.581 13.841 ( -6.097 -10.487 1.273) 12.197 ======================= Grid point 790 (281/670) ======================= q-point: ( 0.26 0.16 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.260 ( 17.704 23.415 1.128) 29.376 2.130 ( 21.915 32.571 1.936) 39.305 3.315 ( 39.610 41.350 0.610) 57.264 8.721 ( 3.803 3.548 -0.964) 5.289 9.042 ( 9.790 11.932 0.233) 15.436 11.244 ( -6.766 -9.195 0.234) 11.419 11.474 ( -2.060 -0.941 0.332) 2.289 12.285 ( 1.246 1.186 -1.632) 2.371 13.585 ( -11.158 -12.803 0.955) 17.010 ======================= Grid point 791 (282/670) ======================= q-point: ( 0.32 0.16 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.858 ( 24.773 25.668 -2.093) 35.734 2.798 ( 20.879 29.711 1.391) 36.340 4.337 ( 39.255 32.010 -0.318) 50.652 8.825 ( 4.192 4.361 -0.917) 6.119 9.343 ( 11.983 11.297 0.981) 16.498 11.033 ( -7.406 -9.356 0.586) 11.947 11.420 ( -3.487 -0.687 0.345) 3.571 12.307 ( 1.051 0.183 -1.689) 1.998 13.233 ( -15.041 -14.448 0.777) 20.871 ======================= Grid point 792 (283/670) ======================= q-point: ( 0.37 0.16 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.553 ( 28.708 25.688 -3.433) 38.676 3.401 ( 17.625 26.882 1.184) 32.167 5.230 ( 34.990 23.398 -1.081) 42.106 8.936 ( 3.936 4.938 -0.925) 6.382 9.651 ( 11.789 9.428 1.790) 15.201 10.833 ( -6.134 -8.228 0.893) 10.301 11.346 ( -4.786 -0.416 0.363) 4.817 12.313 ( 0.696 -0.912 -1.749) 2.091 12.819 ( -17.113 -14.967 0.672) 22.744 ======================= Grid point 793 (284/670) ======================= q-point: ( 0.42 0.16 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.275 ( 29.422 23.862 -3.599) 38.053 3.909 ( 13.253 23.730 1.137) 27.204 5.944 ( 28.206 15.180 -1.602) 32.072 9.043 ( 3.128 5.306 -0.944) 6.232 9.915 ( 9.298 6.507 2.530) 11.628 10.685 ( -3.271 -6.027 1.122) 6.948 11.257 ( -5.579 -0.080 0.389) 5.594 12.297 ( -1.269 -3.063 -1.626) 3.693 12.398 ( -15.070 -12.823 0.371) 19.791 ======================= Grid point 794 (285/670) ======================= q-point: ( 0.47 0.16 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.959 ( 27.050 20.462 -2.937) 34.044 4.307 ( 8.373 20.230 1.157) 21.925 6.457 ( 20.327 7.836 -1.773) 21.857 9.136 ( 1.917 5.515 -0.947) 5.915 10.086 ( 4.535 2.563 3.066) 6.045 10.617 ( 0.178 -3.535 1.135) 3.717 11.165 ( -5.602 0.465 0.428) 5.637 12.004 ( -13.115 -11.256 0.176) 17.283 12.292 ( 0.185 -2.564 -1.669) 3.065 ======================= Grid point 795 (286/670) ======================= q-point: ( 0.53 0.16 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.540 ( 21.466 15.575 -1.636) 26.572 4.588 ( 3.565 16.633 1.265) 17.058 6.777 ( 13.087 2.219 -1.568) 13.366 9.207 ( 0.459 5.592 -0.926) 5.687 10.127 ( -1.067 -1.549 3.131) 3.653 10.619 ( 2.503 -2.063 0.739) 3.327 11.086 ( -4.851 1.370 0.476) 5.064 11.742 ( -7.173 -7.268 -0.102) 10.212 12.267 ( 0.535 -2.789 -1.496) 3.210 ======================= Grid point 796 (287/670) ======================= q-point: ( 0.58 0.16 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.751 ( -1.317 13.163 1.167) 13.280 4.955 ( 12.910 9.376 0.422) 15.961 6.946 ( 7.515 -1.483 -1.127) 7.742 9.253 ( -1.127 5.497 -0.890) 5.682 10.064 ( -3.371 -3.391 2.404) 5.352 10.646 ( 2.537 -2.333 -0.018) 3.447 11.035 ( -3.617 2.550 0.504) 4.454 11.617 ( -1.779 -3.857 -0.119) 4.249 12.250 ( 1.206 -2.669 -1.138) 3.142 ======================= Grid point 797 (288/670) ======================= q-point: (-0.37 0.16 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.806 ( -6.014 10.203 1.223) 11.907 5.138 ( 1.368 2.099 2.416) 3.480 7.005 ( 3.187 -4.099 -0.661) 5.234 9.269 ( -2.731 5.030 -0.853) 5.787 9.999 ( -0.959 -2.224 1.130) 2.673 10.648 ( 1.012 -3.320 -0.737) 3.548 11.017 ( -2.174 3.518 0.485) 4.164 11.589 ( 1.423 -1.933 0.058) 2.401 12.252 ( 2.089 -2.248 -0.713) 3.151 ======================= Grid point 798 (289/670) ======================= q-point: (-0.32 0.16 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.754 ( -10.909 7.594 1.301) 13.356 5.049 ( -11.255 -4.973 3.771) 12.869 6.968 ( -1.358 -6.722 -0.343) 6.867 9.253 ( -4.094 4.026 -0.863) 5.806 10.002 ( 2.159 -0.319 0.109) 2.185 10.613 ( -0.490 -3.739 -1.118) 3.933 11.034 ( -0.427 4.107 0.459) 4.155 11.626 ( 4.496 -0.234 0.202) 4.507 12.271 ( 2.709 -1.790 -0.384) 3.270 ======================= Grid point 799 (290/670) ======================= q-point: (-0.26 0.16 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.591 ( -16.280 4.517 1.446) 16.957 4.700 ( -22.270 -9.875 4.071) 24.699 6.814 ( -7.825 -10.005 -0.308) 12.705 9.206 ( -5.068 2.726 -0.938) 5.831 10.036 ( 1.201 -0.397 -0.154) 1.275 10.568 ( -0.092 -3.079 -1.093) 3.268 11.085 ( 1.299 4.545 0.424) 4.746 11.752 ( 9.674 2.448 0.251) 9.983 12.302 ( 2.754 -1.486 -0.233) 3.138 ======================= Grid point 800 (291/670) ======================= q-point: (-0.21 0.16 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.138 ( -30.223 -13.979 3.576) 33.490 4.321 ( -22.022 2.720 1.595) 22.246 6.493 ( -16.967 -13.768 -0.533) 21.857 9.132 ( -5.765 1.443 -1.035) 6.032 10.004 ( -3.809 -2.455 0.181) 4.535 10.563 ( 2.919 -1.450 -0.829) 3.364 11.164 ( 2.458 4.755 0.373) 5.365 12.008 ( 15.976 5.494 0.231) 16.895 12.330 ( 2.309 -1.307 -0.209) 2.662 ======================= Grid point 801 (292/670) ======================= q-point: (-0.16 0.16 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.450 ( -35.356 -15.244 2.751) 38.601 3.926 ( -27.318 0.083 1.657) 27.369 5.968 ( -27.772 -17.042 -0.813) 32.594 9.037 ( -6.202 0.369 -1.112) 6.311 9.861 ( -9.221 -4.454 0.635) 10.260 10.641 ( 7.140 0.444 -0.509) 7.172 11.256 ( 2.906 4.495 0.323) 5.363 12.335 ( 5.086 0.452 -0.721) 5.156 12.395 ( 16.652 5.586 0.669) 17.577 ======================= Grid point 802 (293/670) ======================= q-point: (-0.11 0.16 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.697 ( -37.333 -14.528 1.828) 40.102 3.419 ( -32.204 -2.508 1.734) 32.348 5.234 ( -38.526 -18.679 -0.934) 42.826 8.929 ( -6.283 -0.338 -1.140) 6.394 9.625 ( -13.057 -5.344 0.895) 14.136 10.802 ( 10.571 1.830 -0.232) 10.730 11.345 ( 2.789 3.679 0.286) 4.625 12.347 ( 0.432 -1.045 -0.614) 1.287 12.811 ( 21.372 7.138 0.447) 22.537 ======================= Grid point 808 (294/670) ======================= q-point: ( 0.21 0.21 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.981 ( -0.000 24.234 5.393) 24.827 1.673 ( -0.000 38.173 3.750) 38.357 2.556 ( -0.000 61.732 0.911) 61.739 8.641 ( 0.000 3.601 -1.414) 3.868 8.879 ( -0.000 13.705 0.067) 13.705 11.374 ( 0.000 -9.460 -0.176) 9.462 11.496 ( 0.000 -1.962 0.406) 2.004 12.263 ( 0.000 2.188 -1.608) 2.715 13.778 ( 0.000 -13.604 1.202) 13.657 ======================= Grid point 809 (295/670) ======================= q-point: ( 0.26 0.21 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.313 ( 7.492 29.067 1.875) 30.076 2.175 ( 13.969 36.363 2.696) 39.047 3.294 ( 17.790 54.253 0.311) 57.096 8.699 ( 2.670 4.268 -1.343) 5.211 9.057 ( 4.330 14.983 0.448) 15.603 11.239 ( -4.101 -10.764 0.156) 11.520 11.478 ( -0.038 -2.122 0.397) 2.159 12.281 ( 0.345 1.717 -1.675) 2.424 13.589 ( -5.626 -15.989 1.011) 16.980 ======================= Grid point 810 (296/670) ======================= q-point: ( 0.32 0.21 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.799 ( 14.944 31.722 -1.104) 35.083 2.804 ( 17.987 34.764 1.836) 39.184 4.137 ( 25.641 42.493 -0.352) 49.631 8.798 ( 4.054 5.046 -1.216) 6.586 9.305 ( 7.621 14.348 1.020) 16.279 11.045 ( -5.961 -11.091 0.467) 12.600 11.452 ( -1.087 -1.617 0.405) 1.990 12.293 ( 0.260 0.547 -1.724) 1.827 13.293 ( -10.313 -17.613 0.848) 20.428 ======================= Grid point 811 (297/670) ======================= q-point: ( 0.37 0.21 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.405 ( 20.765 31.713 -2.730) 38.004 3.431 ( 16.126 33.578 1.378) 37.275 4.942 ( 27.922 30.249 -1.000) 41.179 8.920 ( 4.274 6.004 -1.149) 7.458 9.581 ( 9.193 12.106 1.719) 15.298 10.843 ( -5.699 -10.192 0.746) 11.701 11.410 ( -2.738 -0.819 0.427) 2.890 12.290 ( 0.146 -0.982 -1.768) 2.027 12.919 ( -13.567 -18.196 0.739) 22.709 ======================= Grid point 812 (298/670) ======================= q-point: ( 0.42 0.21 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.073 ( 23.957 29.510 -3.200) 38.145 3.987 ( 11.647 31.858 1.158) 33.940 5.634 ( 26.308 18.737 -1.481) 32.332 9.046 ( 3.610 7.007 -1.121) 7.962 9.841 ( 8.688 8.721 2.409) 12.544 10.675 ( -3.641 -8.108 0.967) 8.941 11.347 ( -4.370 0.046 0.449) 4.393 12.269 ( -0.024 -2.728 -1.749) 3.241 12.507 ( -14.583 -17.238 0.586) 22.587 ======================= Grid point 813 (299/670) ======================= q-point: ( 0.47 0.21 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.740 ( 24.222 25.644 -2.830) 35.388 4.436 ( 6.283 29.022 1.045) 29.713 6.169 ( 22.025 8.987 -1.654) 23.846 9.166 ( 2.307 7.934 -1.090) 8.334 10.039 ( 5.862 4.405 2.960) 7.908 10.577 ( -0.545 -5.523 1.026) 5.644 11.270 ( -5.373 0.984 0.473) 5.483 12.097 ( -12.694 -14.685 0.330) 19.413 12.251 ( -0.166 -4.152 -1.677) 4.481 ======================= Grid point 814 (300/670) ======================= q-point: ( 0.53 0.21 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.345 ( 21.475 20.460 -1.811) 29.716 4.763 ( 1.099 25.142 0.990) 25.186 6.540 ( 16.522 2.041 -1.468) 16.712 9.268 ( 0.592 8.687 -1.027) 8.768 10.126 ( 1.000 -0.465 3.197) 3.382 10.551 ( 2.194 -3.750 0.760) 4.411 11.195 ( -5.401 2.173 0.508) 5.844 11.785 ( -8.649 -11.178 0.063) 14.134 12.213 ( 0.855 -4.466 -1.587) 4.816 ======================= Grid point 815 (301/670) ======================= q-point: ( 0.58 0.21 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.825 ( 15.400 14.163 -0.363) 20.926 4.969 ( -3.218 20.963 1.050) 21.234 6.765 ( 11.098 -2.059 -1.050) 11.336 9.346 ( -1.354 9.172 -0.917) 9.316 10.089 ( -3.005 -3.981 2.817) 5.729 10.565 ( 3.203 -3.787 0.117) 4.961 11.140 ( -4.649 3.609 0.534) 5.910 11.602 ( -2.873 -7.078 -0.102) 7.639 12.185 ( 1.662 -4.667 -1.288) 5.119 ======================= Grid point 816 (302/670) ======================= q-point: ( 0.63 0.21 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.059 ( -6.068 16.293 0.619) 17.397 5.125 ( 5.105 8.206 1.801) 9.830 6.875 ( 6.349 -4.678 -0.619) 7.910 9.393 ( -3.535 9.174 -0.753) 9.861 10.000 ( -2.515 -4.288 1.734) 5.265 10.574 ( 2.676 -4.765 -0.535) 5.491 11.112 ( -3.716 4.750 0.488) 6.051 11.536 ( 1.143 -4.529 0.003) 4.671 12.175 ( 2.733 -4.383 -0.911) 5.245 ======================= Grid point 817 (303/670) ======================= q-point: (-0.32 0.21 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.062 ( -11.199 14.158 0.891) 18.074 5.175 ( -5.582 0.814 2.884) 6.335 6.886 ( 2.081 -7.340 -0.342) 7.637 9.397 ( -5.837 8.192 -0.617) 10.078 9.960 ( 1.360 -2.264 0.612) 2.711 10.558 ( 1.494 -5.225 -0.878) 5.505 11.109 ( -2.590 5.266 0.412) 5.883 11.542 ( 3.814 -2.986 0.143) 4.846 12.187 ( 3.710 -3.818 -0.592) 5.357 ======================= Grid point 818 (304/670) ======================= q-point: (-0.26 0.21 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.934 ( -16.751 0.365 2.185) 16.897 4.998 ( -16.884 7.100 2.068) 18.433 6.796 ( -2.715 -10.492 -0.323) 10.843 9.354 ( -7.348 6.370 -0.675) 9.748 9.992 ( 3.228 -0.728 0.215) 3.316 10.523 ( 0.652 -4.685 -0.859) 4.808 11.132 ( -0.847 5.466 0.362) 5.544 11.614 ( 7.601 -1.037 0.205) 7.674 12.219 ( 4.138 -3.230 -0.434) 5.268 ======================= Grid point 819 (305/670) ======================= q-point: (-0.21 0.21 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.513 ( -26.599 -9.378 2.638) 28.327 4.778 ( -22.665 11.373 1.238) 25.388 6.579 ( -9.513 -13.392 -0.558) 16.436 9.274 ( -7.985 4.429 -0.827) 9.168 10.019 ( 0.082 -1.348 0.492) 1.437 10.499 ( 1.727 -3.293 -0.587) 3.765 11.187 ( 0.899 5.419 0.319) 5.502 11.793 ( 13.561 1.609 0.215) 13.658 12.257 ( 3.911 -2.680 -0.427) 4.760 ======================= Grid point 820 (306/670) ======================= q-point: (-0.16 0.21 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.912 ( -33.555 -10.606 1.718) 35.233 4.449 ( -28.528 8.581 1.257) 29.817 6.204 ( -18.939 -14.695 -0.861) 23.987 9.170 ( -8.160 2.669 -0.932) 8.635 9.955 ( -5.658 -2.686 0.924) 6.331 10.529 ( 5.085 -1.559 -0.247) 5.324 11.263 ( 1.923 4.841 0.284) 5.216 12.097 ( 19.105 3.509 0.158) 19.425 12.294 ( 3.384 -2.018 -0.431) 3.963 ======================= Grid point 821 (307/670) ======================= q-point: (-0.11 0.21 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.216 ( -37.570 -9.522 0.615) 38.763 3.995 ( -33.616 4.716 1.240) 33.967 5.655 ( -29.969 -13.209 -0.984) 32.766 9.051 ( -7.963 1.317 -0.951) 8.127 9.789 ( -10.765 -3.126 1.147) 11.268 10.640 ( 9.120 -0.119 0.045) 9.121 11.341 ( 2.217 3.557 0.264) 4.199 12.311 ( 2.414 -1.272 -0.915) 2.877 12.497 ( 21.996 3.664 0.548) 22.306 ======================= Grid point 828 (308/670) ======================= q-point: ( 0.26 0.26 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.560 ( -0.000 33.368 0.627) 33.374 2.406 ( -0.000 35.455 2.669) 35.555 3.705 ( -0.000 56.367 -0.099) 56.367 8.715 ( -0.000 4.850 -1.418) 5.053 9.177 ( -0.000 16.435 0.737) 16.451 11.167 ( 0.000 -11.528 0.259) 11.531 11.450 ( 0.000 -3.085 0.423) 3.114 12.293 ( 0.000 1.761 -1.700) 2.448 13.471 ( 0.000 -18.487 0.948) 18.512 ======================= Grid point 829 (309/670) ======================= q-point: ( 0.32 0.26 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.951 ( 6.341 36.109 -1.202) 36.682 2.867 ( 13.262 33.375 2.061) 35.972 4.306 ( 8.935 49.736 -0.542) 50.535 8.785 ( 2.796 5.300 -1.317) 6.135 9.367 ( 3.185 16.174 1.156) 16.525 11.021 ( -3.853 -11.509 0.485) 12.147 11.428 ( 0.883 -3.234 0.417) 3.378 12.299 ( -0.421 1.022 -1.724) 2.048 13.242 ( -5.133 -20.109 0.839) 20.770 ======================= Grid point 830 (310/670) ======================= q-point: ( 0.37 0.26 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.455 ( 12.108 36.492 -2.557) 38.533 3.464 ( 18.462 31.848 1.482) 36.842 4.926 ( 13.356 38.799 -1.012) 41.046 8.899 ( 4.563 5.991 -1.211) 7.627 9.592 ( 5.293 14.195 1.718) 15.247 10.836 ( -5.210 -10.508 0.731) 11.751 11.413 ( 0.430 -2.675 0.433) 2.744 12.286 ( -0.997 -0.347 -1.751) 2.045 12.924 ( -9.236 -20.665 0.737) 22.647 ======================= Grid point 831 (311/670) ======================= q-point: ( 0.42 0.26 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.034 ( 16.534 34.454 -3.112) 38.342 4.074 ( 16.558 31.324 1.091) 35.448 5.481 ( 15.565 25.827 -1.383) 30.187 9.041 ( 4.986 7.087 -1.159) 8.742 9.817 ( 6.063 10.755 2.337) 12.566 10.663 ( -4.298 -8.457 0.932) 9.532 11.389 ( -1.069 -1.678 0.459) 2.042 12.249 ( -1.286 -2.187 -1.722) 3.067 12.551 ( -11.675 -19.814 0.593) 23.005 ======================= Grid point 832 (312/670) ======================= q-point: ( 0.47 0.26 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.641 ( 18.851 30.476 -2.924) 35.954 4.606 ( 10.290 30.524 0.802) 32.221 5.934 ( 16.437 13.383 -1.475) 21.247 9.191 ( 4.185 8.453 -1.130) 9.500 10.004 ( 5.091 6.189 2.883) 8.517 10.543 ( -1.930 -5.930 0.999) 6.316 11.347 ( -2.789 -0.399 0.477) 2.857 12.142 ( -9.580 -14.833 0.193) 17.659 12.222 ( -3.330 -6.634 -1.453) 7.564 ======================= Grid point 833 (313/670) ======================= q-point: ( 0.53 0.26 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.221 ( 18.606 25.100 -2.140) 31.317 5.000 ( 2.841 27.551 0.525) 27.702 6.287 ( 15.768 4.759 -1.177) 16.513 9.333 ( 2.478 9.762 -1.066) 10.128 10.109 ( 2.027 0.931 3.194) 3.896 10.488 ( 0.694 -4.214 0.806) 4.346 11.295 ( -3.882 1.178 0.487) 4.086 11.815 ( -9.436 -14.125 0.206) 16.988 12.154 ( -0.108 -4.872 -1.613) 5.133 ======================= Grid point 834 (314/670) ======================= q-point: ( 0.58 0.26 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.719 ( 15.471 18.729 -0.917) 24.310 5.241 ( -2.735 22.278 0.311) 22.448 6.552 ( 12.697 1.137 -0.640) 12.763 9.453 ( 0.274 10.639 -0.908) 10.682 10.104 ( -2.029 -3.502 3.033) 5.057 10.477 ( 2.329 -4.390 0.247) 4.976 11.249 ( -3.996 2.990 0.497) 5.016 11.581 ( -4.513 -9.843 -0.052) 10.828 12.107 ( 1.031 -5.419 -1.322) 5.672 ======================= Grid point 835 (315/670) ======================= q-point: ( 0.63 0.26 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.077 ( 9.082 11.704 0.471) 14.822 5.358 ( -5.708 17.284 0.272) 18.204 6.726 ( 7.539 -0.283 -0.164) 7.546 9.540 ( -2.094 10.849 -0.592) 11.065 10.013 ( -3.784 -4.984 2.117) 6.606 10.473 ( 2.886 -5.683 -0.398) 6.386 11.223 ( -3.657 4.464 0.463) 5.790 11.468 ( 0.226 -6.729 -0.029) 6.733 12.080 ( 2.352 -5.357 -0.972) 5.931 ======================= Grid point 836 (316/670) ======================= q-point: (-0.32 0.26 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.235 ( -0.487 4.803 1.526) 5.063 5.398 ( -7.841 14.477 0.419) 16.469 6.792 ( 2.017 -2.735 0.080) 3.399 9.584 ( -5.068 10.249 -0.141) 11.434 9.926 ( -1.092 -3.747 0.804) 3.985 10.462 ( 2.924 -6.252 -0.722) 6.939 11.212 ( -3.315 5.062 0.381) 6.062 11.443 ( 3.265 -5.010 0.098) 5.981 12.079 ( 3.718 -4.812 -0.674) 6.118 ======================= Grid point 837 (317/670) ======================= q-point: (-0.26 0.26 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.158 ( -11.270 -1.172 1.952) 11.497 5.374 ( -11.891 13.991 0.488) 18.368 6.741 ( -2.483 -6.949 0.038) 7.380 9.560 ( -8.346 8.247 -0.093) 11.734 9.924 ( 3.326 -1.512 0.278) 3.663 10.447 ( 2.377 -5.476 -0.672) 6.008 11.213 ( -2.385 5.049 0.322) 5.594 11.479 ( 6.041 -3.390 0.147) 6.928 12.106 ( 4.690 -4.056 -0.531) 6.224 ======================= Grid point 838 (318/670) ======================= q-point: (-0.21 0.26 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.854 ( -21.513 -5.143 1.575) 22.175 5.261 ( -18.339 13.864 0.527) 22.996 6.580 ( -6.202 -10.985 -0.286) 12.618 9.473 ( -9.696 5.800 -0.453) 11.307 9.980 ( 3.382 -0.764 0.746) 3.547 10.434 ( 1.870 -3.819 -0.374) 4.268 11.236 ( -0.636 4.684 0.293) 4.736 11.593 ( 10.502 -1.207 0.139) 10.572 12.151 ( 4.970 -3.208 -0.559) 5.941 ======================= Grid point 839 (319/670) ======================= q-point: (-0.16 0.26 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.367 ( -29.721 -6.301 0.580) 30.387 5.014 ( -25.905 10.957 0.617) 28.134 6.322 ( -11.314 -11.527 -0.727) 16.168 9.351 ( -9.895 3.481 -0.685) 10.512 9.997 ( -1.072 -1.231 1.340) 2.112 10.444 ( 3.012 -1.961 -0.002) 3.594 11.282 ( 0.983 3.743 0.280) 3.880 11.817 ( 16.398 0.739 0.152) 16.416 12.204 ( 4.601 -2.201 -0.679) 5.145 ======================= Grid point 840 (320/670) ======================= q-point: (-0.11 0.26 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.761 ( -35.381 -5.012 -0.638) 35.740 4.605 ( -32.116 4.988 0.629) 32.508 5.970 ( -19.792 -7.155 -0.984) 21.069 9.210 ( -9.460 1.575 -0.735) 9.618 9.922 ( -6.810 -1.202 1.604) 7.099 10.508 ( 6.152 -0.448 0.337) 6.178 11.336 ( 1.803 2.059 0.278) 2.750 12.142 ( 20.193 1.100 -0.015) 20.223 12.259 ( 4.572 -0.992 -0.604) 4.717 ======================= Grid point 848 (321/670) ======================= q-point: ( 0.32 0.32 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.259 ( -0.000 38.721 -2.087) 38.777 3.068 ( -0.000 31.410 1.887) 31.466 4.722 ( -0.000 48.647 -0.803) 48.654 8.808 ( -0.000 5.415 -1.234) 5.554 9.505 ( -0.000 16.299 1.405) 16.360 10.946 ( 0.000 -11.171 0.635) 11.189 11.382 ( 0.000 -4.114 0.400) 4.134 12.309 ( 0.000 0.896 -1.713) 1.934 13.084 ( 0.000 -21.685 0.763) 21.698 ======================= Grid point 849 (322/670) ======================= q-point: ( 0.37 0.32 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.675 ( 5.025 39.343 -2.985) 39.775 3.481 ( 13.109 28.862 1.446) 31.733 5.193 ( 3.129 41.977 -1.103) 42.108 8.885 ( 3.123 5.624 -1.099) 6.526 9.679 ( 2.030 14.776 1.796) 15.022 10.814 ( -3.455 -9.916 0.846) 10.534 11.358 ( 1.729 -4.199 0.392) 4.558 12.300 ( -1.169 0.074 -1.699) 2.064 12.834 ( -4.552 -22.127 0.655) 22.600 ======================= Grid point 850 (323/670) ======================= q-point: ( 0.42 0.32 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.161 ( 9.250 37.722 -3.442) 38.991 4.038 ( 19.882 26.534 0.984) 33.171 5.609 ( 3.644 32.062 -1.334) 32.296 9.012 ( 5.443 6.250 -1.008) 8.349 9.858 ( 3.031 11.728 2.291) 12.329 10.661 ( -4.375 -7.742 1.022) 8.951 11.354 ( 1.955 -3.651 0.414) 4.162 12.260 ( -2.364 -1.449 -1.611) 3.206 12.518 ( -7.924 -21.059 0.467) 22.505 ======================= Grid point 851 (324/670) ======================= q-point: ( 0.47 0.32 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.683 ( 12.384 34.009 -3.324) 36.346 4.628 ( 19.415 24.889 0.572) 31.571 5.923 ( 4.023 20.771 -1.332) 21.199 9.176 ( 6.332 7.422 -0.987) 9.806 10.010 ( 2.903 7.329 2.794) 8.363 10.536 ( -3.271 -5.200 1.076) 6.237 11.350 ( 0.902 -2.549 0.441) 2.740 12.144 ( -7.832 -14.786 0.224) 16.734 12.220 ( -4.671 -6.957 -1.474) 8.508 ======================= Grid point 852 (325/670) ======================= q-point: ( 0.53 0.32 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.202 ( 13.864 28.690 -2.674) 31.976 5.134 ( 12.204 22.654 0.090) 25.732 6.158 ( 6.753 11.320 -0.900) 13.212 9.355 ( 5.608 8.903 -0.989) 10.568 10.102 ( 1.408 1.985 3.153) 3.983 10.458 ( -1.425 -3.553 0.912) 3.936 11.337 ( -0.554 -0.873 0.451) 1.129 11.829 ( -9.178 -15.483 0.242) 18.000 12.125 ( -2.295 -3.974 -1.598) 4.859 ======================= Grid point 853 (326/670) ======================= q-point: ( 0.58 0.32 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.673 ( 13.142 22.318 -1.619) 25.950 5.447 ( 2.252 16.803 -0.458) 16.959 6.392 ( 10.317 8.121 -0.105) 13.130 9.522 ( 3.480 10.009 -0.902) 10.635 10.108 ( -1.202 -2.772 3.143) 4.360 10.415 ( 0.066 -3.940 0.428) 3.963 11.321 ( -1.604 1.230 0.434) 2.068 11.567 ( -6.202 -11.280 -0.038) 12.872 12.051 ( -0.939 -4.758 -1.286) 5.017 ======================= Grid point 854 (327/670) ======================= q-point: ( 0.63 0.32 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.049 ( 9.705 15.375 -0.383) 18.186 5.562 ( -2.380 9.855 -0.661) 10.160 6.636 ( 7.881 8.676 0.464) 11.730 9.652 ( 0.718 9.517 -0.501) 9.557 10.039 ( -3.454 -4.029 2.356) 5.806 10.379 ( 1.151 -5.703 -0.221) 5.822 11.312 ( -2.109 3.046 0.375) 3.723 11.407 ( -1.843 -7.956 -0.057) 8.167 11.998 ( 0.743 -4.955 -0.929) 5.095 ======================= Grid point 855 (328/670) ======================= q-point: ( 0.68 0.32 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.276 ( 3.209 8.415 0.643) 9.029 5.591 ( -2.692 6.503 -0.563) 7.061 6.792 ( 0.778 7.059 0.670) 7.133 9.725 ( -1.102 6.426 0.518) 6.540 9.950 ( -4.395 -0.704 0.593) 4.491 10.347 ( 2.550 -6.649 -0.580) 7.144 11.308 ( -2.448 3.694 0.281) 4.440 11.343 ( 1.885 -5.952 0.085) 6.244 11.977 ( 2.502 -4.533 -0.633) 5.216 ======================= Grid point 856 (329/670) ======================= q-point: (-0.26 0.32 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.311 ( -5.780 2.364 1.009) 6.325 5.605 ( -3.137 6.610 -0.427) 7.329 6.791 ( -6.460 2.235 0.630) 6.864 9.746 ( -3.096 4.113 1.421) 5.341 9.892 ( -2.561 1.832 -0.807) 3.250 10.338 ( 3.670 -5.672 -0.521) 6.776 11.302 ( -2.613 3.708 0.277) 4.544 11.349 ( 4.775 -4.459 0.088) 6.534 11.991 ( 4.036 -3.726 -0.503) 5.516 ======================= Grid point 857 (330/670) ======================= q-point: (-0.21 0.32 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.136 ( -15.492 -1.627 0.618) 15.590 5.596 ( -7.220 8.171 -0.398) 10.911 6.636 ( -10.583 -3.778 0.361) 11.243 9.688 ( -8.775 4.273 0.209) 9.762 9.913 ( 3.266 0.360 0.534) 3.329 10.354 ( 3.468 -3.473 -0.204) 4.912 11.297 ( -1.884 3.144 0.282) 3.676 11.420 ( 7.920 -2.483 0.035) 8.301 12.035 ( 5.001 -2.683 -0.569) 5.704 ======================= Grid point 858 (331/670) ======================= q-point: (-0.16 0.32 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.778 ( -24.203 -2.863 -0.364) 24.374 5.476 ( -16.913 6.738 -0.272) 18.208 6.403 ( -10.442 -5.744 -0.181) 11.919 9.554 ( -10.594 2.341 -0.486) 10.861 9.977 ( 2.880 -0.119 1.726) 3.360 10.383 ( 2.735 -1.255 0.189) 3.015 11.304 ( -0.301 1.886 0.304) 1.933 11.574 ( 12.396 -0.621 0.006) 12.411 12.100 ( 5.246 -1.390 -0.765) 5.480 ======================= Grid point 859 (332/670) ======================= q-point: (-0.11 0.32 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.286 ( -30.989 -1.513 -1.596) 31.067 5.134 ( -27.074 -0.551 -0.043) 27.079 6.192 ( -11.920 0.144 -0.768) 11.946 9.386 ( -10.428 0.257 -0.600) 10.448 9.995 ( -1.707 0.166 2.207) 2.795 10.429 ( 3.489 0.357 0.556) 3.551 11.321 ( 1.072 -0.040 0.321) 1.120 11.823 ( 17.484 -0.112 0.068) 17.485 12.176 ( 4.796 -0.009 -0.976) 4.895 ======================= Grid point 868 (333/670) ======================= q-point: ( 0.37 0.37 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.012 ( -0.000 40.152 -3.604) 40.314 3.637 ( -0.000 26.359 1.235) 26.388 5.567 ( -0.000 38.904 -1.262) 38.924 8.907 ( -0.000 5.297 -0.919) 5.376 9.808 ( -0.000 13.675 2.008) 13.821 10.757 ( 0.000 -8.559 1.048) 8.623 11.297 ( 0.000 -4.774 0.336) 4.786 12.307 ( 0.000 -0.232 -1.614) 1.631 12.657 ( 0.000 -22.313 0.498) 22.318 ======================= Grid point 869 (334/670) ======================= q-point: ( 0.42 0.37 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.418 ( 3.671 38.876 -3.978) 39.251 3.994 ( 12.872 23.353 0.868) 26.679 5.906 ( -0.769 32.147 -1.379) 32.186 8.986 ( 3.656 5.297 -0.766) 6.482 9.944 ( 0.964 11.039 2.336) 11.325 10.660 ( -2.966 -6.355 1.214) 7.118 11.273 ( 2.365 -4.676 0.322) 5.250 12.279 ( -1.922 -2.128 -1.284) 3.142 12.416 ( -3.788 -20.051 0.078) 20.406 ======================= Grid point 870 (335/670) ======================= q-point: ( 0.47 0.37 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.855 ( 6.542 35.540 -3.903) 36.347 4.494 ( 20.470 20.060 0.458) 28.664 6.143 ( -2.864 23.778 -1.314) 23.986 9.126 ( 6.660 5.865 -0.701) 8.902 10.057 ( 0.963 7.014 2.710) 7.581 10.555 ( -3.717 -3.795 1.243) 5.455 11.280 ( 3.205 -4.013 0.349) 5.147 12.109 ( -6.466 -17.800 0.424) 18.943 12.239 ( -3.610 -2.818 -1.719) 4.891 ======================= Grid point 871 (336/670) ======================= q-point: ( 0.53 0.37 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.293 ( 8.609 30.443 -3.340) 31.812 5.029 ( 20.877 16.264 0.002) 26.464 6.275 ( -3.248 16.386 -0.922) 16.730 9.312 ( 8.108 6.986 -0.736) 10.728 10.119 ( 0.038 1.931 3.024) 3.588 10.473 ( -3.188 -2.099 1.066) 3.963 11.300 ( 2.768 -2.678 0.378) 3.870 11.824 ( -7.818 -15.093 0.134) 16.998 12.145 ( -4.103 -2.654 -1.494) 5.110 ======================= Grid point 872 (337/670) ======================= q-point: ( 0.58 0.37 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.704 ( 9.448 24.126 -2.375) 26.018 5.451 ( 12.474 10.197 -0.593) 16.123 6.394 ( 2.041 13.505 -0.130) 13.659 9.517 ( 7.390 8.168 -0.816) 11.045 10.111 ( -1.354 -2.866 3.122) 4.449 10.407 ( -2.629 -2.450 0.629) 3.648 11.323 ( 1.776 -0.718 0.372) 1.952 11.571 ( -7.040 -10.818 -0.116) 12.908 12.046 ( -3.532 -3.294 -1.177) 4.971 ======================= Grid point 873 (338/670) ======================= q-point: ( 0.63 0.37 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.052 ( 8.436 17.204 -1.203) 19.199 5.623 ( 1.957 3.138 -0.917) 3.810 6.622 ( 7.739 14.241 0.516) 16.216 9.693 ( 4.013 7.537 -0.668) 8.565 10.052 ( -1.736 -4.046 2.613) 5.120 10.335 ( -2.035 -4.365 0.037) 4.816 11.346 ( 0.426 0.806 0.210) 0.936 11.386 ( -4.341 -7.099 -0.059) 8.321 11.963 ( -1.907 -3.544 -0.815) 4.106 ======================= Grid point 874 (339/670) ======================= q-point: ( 0.68 0.37 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.299 ( 4.959 10.328 -0.161) 11.458 5.637 ( -0.420 0.127 -0.788) 0.902 6.864 ( 3.815 12.478 0.675) 13.066 9.765 ( -0.371 1.140 0.437) 1.276 10.023 ( -1.231 2.473 0.833) 2.886 10.263 ( -0.306 -5.600 -0.379) 5.621 11.271 ( -0.998 -5.788 -0.088) 5.875 11.368 ( -0.585 2.215 0.275) 2.307 11.913 ( 0.194 -3.245 -0.502) 3.289 ======================= Grid point 875 (340/670) ======================= q-point: (-0.26 0.37 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.404 ( -1.220 4.328 0.289) 4.506 5.638 ( 1.036 0.271 -0.613) 1.234 6.957 ( -5.102 7.669 0.659) 9.235 9.751 ( 0.332 -2.115 1.067) 2.392 10.025 ( -4.595 5.885 -0.345) 7.475 10.229 ( 2.526 -4.629 -0.385) 5.288 11.237 ( 2.805 -4.315 0.029) 5.147 11.371 ( -1.685 2.194 0.190) 2.773 11.905 ( 2.240 -2.473 -0.357) 3.356 ======================= Grid point 876 (341/670) ======================= q-point: (-0.21 0.37 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.339 ( -9.180 0.274 -0.002) 9.184 5.671 ( 1.476 1.433 -0.657) 2.160 6.847 ( -13.168 1.834 0.563) 13.307 9.757 ( 1.567 -1.295 0.971) 2.253 9.971 ( -6.706 3.755 -0.189) 7.688 10.256 ( 4.445 -2.114 -0.082) 4.923 11.280 ( 5.908 -2.069 -0.016) 6.260 11.356 ( -2.151 1.374 0.201) 2.560 11.937 ( 3.897 -1.345 -0.434) 4.145 ======================= Grid point 877 (342/670) ======================= q-point: (-0.16 0.37 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.109 ( -17.372 -1.022 -0.859) 17.423 5.673 ( -3.793 0.103 -0.852) 3.889 6.599 ( -15.365 -0.374 0.336) 15.373 9.720 ( -6.783 -0.630 -0.296) 6.818 9.936 ( 1.256 0.769 1.684) 2.237 10.323 ( 4.010 0.392 0.307) 4.041 11.330 ( -1.568 -0.058 0.310) 1.599 11.393 ( 8.716 -0.132 -0.157) 8.718 12.004 ( 4.930 0.083 -0.678) 4.977 ======================= Grid point 878 (343/670) ======================= q-point: (-0.11 0.37 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.746 ( -24.611 0.362 -2.016) 24.696 5.468 ( -17.130 -7.241 -0.643) 18.609 6.401 ( -10.356 5.578 -0.309) 11.767 9.551 ( -10.229 -2.209 -0.589) 10.481 9.995 ( 2.721 0.596 2.614) 3.820 10.392 ( 2.756 1.988 0.678) 3.465 11.305 ( -0.290 -1.994 0.355) 2.046 11.571 ( 12.447 0.374 -0.149) 12.454 12.096 ( 5.142 1.485 -0.975) 5.440 ======================= Grid point 888 (344/670) ======================= q-point: ( 0.42 0.42 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.751 ( -0.000 37.904 -4.369) 38.155 4.098 ( -0.000 20.602 0.647) 20.612 6.206 ( -0.000 27.923 -1.413) 27.959 9.000 ( -0.000 4.612 -0.535) 4.643 10.042 ( -0.000 8.741 2.481) 9.086 10.637 ( 0.000 -4.394 1.413) 4.616 11.205 ( 0.000 -4.801 0.224) 4.806 12.221 ( 0.000 -16.704 0.374) 16.708 12.309 ( 0.000 -4.221 -1.662) 4.537 ======================= Grid point 889 (345/670) ======================= q-point: ( 0.47 0.42 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.113 ( 2.389 34.874 -4.382) 35.229 4.391 ( 12.377 17.303 0.337) 21.276 6.419 ( -3.152 21.712 -1.311) 21.979 9.078 ( 4.359 4.460 -0.386) 6.248 10.118 ( 0.014 5.076 2.661) 5.732 10.586 ( -2.601 -2.098 1.444) 3.640 11.186 ( 2.810 -4.388 0.202) 5.215 12.021 ( -3.281 -16.996 0.199) 17.311 12.265 ( -2.256 -1.481 -1.546) 3.110 ======================= Grid point 890 (346/670) ======================= q-point: ( 0.53 0.42 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.472 ( 4.157 29.970 -3.934) 30.512 4.819 ( 19.730 13.422 0.018) 23.862 6.516 ( -5.960 15.631 -1.000) 16.759 9.228 ( 8.089 4.954 -0.370) 9.493 10.148 ( -0.798 0.513 2.792) 2.949 10.524 ( -3.727 -0.463 1.227) 3.951 11.209 ( 4.203 -3.396 0.241) 5.409 11.799 ( -5.530 -13.137 -0.063) 14.254 12.191 ( -4.137 -1.755 -1.274) 4.671 ======================= Grid point 891 (347/670) ======================= q-point: ( 0.58 0.42 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.804 ( 5.492 23.677 -3.040) 24.495 5.264 ( 18.989 8.464 -0.308) 20.792 6.548 ( -4.515 12.064 -0.491) 12.891 9.434 ( 9.979 5.881 -0.508) 11.594 10.115 ( -1.962 -3.777 2.786) 5.087 10.455 ( -4.405 -0.592 0.795) 4.515 11.257 ( 4.339 -1.801 0.264) 4.705 11.590 ( -6.492 -8.822 -0.237) 10.956 12.091 ( -4.979 -2.052 -0.947) 5.468 ======================= Grid point 892 (348/670) ======================= q-point: ( 0.63 0.42 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.091 ( 6.026 16.672 -1.876) 17.827 5.558 ( 8.881 2.468 -0.522) 9.232 6.649 ( 3.862 11.714 0.008) 12.334 9.655 ( 8.542 6.364 -0.785) 10.681 10.038 ( -1.816 -5.837 2.564) 6.629 10.365 ( -4.981 -2.143 0.292) 5.431 11.316 ( 3.500 -0.179 0.203) 3.510 11.413 ( -6.178 -5.507 -0.235) 8.280 11.988 ( -4.400 -2.056 -0.592) 4.892 ======================= Grid point 893 (349/670) ======================= q-point: ( 0.68 0.42 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.310 ( 5.084 9.732 -0.740) 11.005 5.630 ( 0.654 -0.631 -0.423) 1.002 6.874 ( 8.247 9.998 0.172) 12.961 9.779 ( 0.228 1.390 -0.414) 1.469 10.013 ( 3.739 -0.695 1.454) 4.071 10.257 ( -4.233 -3.268 -0.077) 5.348 11.273 ( -4.702 -3.691 -0.174) 5.980 11.370 ( 2.060 0.699 0.161) 2.181 11.909 ( -2.613 -1.670 -0.281) 3.114 ======================= Grid point 894 (350/670) ======================= q-point: ( 0.74 0.42 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.436 ( 2.033 3.760 -0.057) 4.275 5.621 ( 0.079 -0.444 -0.247) 0.514 7.051 ( 2.555 5.189 0.180) 5.786 9.743 ( -1.771 -1.865 0.193) 2.580 10.094 ( 1.745 2.515 0.305) 3.076 10.182 ( -0.996 -2.089 -0.262) 2.329 11.189 ( -1.366 -2.306 -0.030) 2.680 11.398 ( 0.292 0.701 0.064) 0.762 11.871 ( -0.294 -0.905 -0.111) 0.958 ======================= Grid point 895 (351/670) ======================= q-point: (-0.21 0.42 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.444 ( -3.239 -0.239 -0.140) 3.251 5.639 ( 1.996 0.546 -0.203) 2.079 7.037 ( -6.940 -0.548 0.193) 6.965 9.720 ( 0.768 -0.885 0.274) 1.203 10.093 ( -3.856 0.400 0.147) 3.880 10.184 ( 2.471 0.277 -0.104) 2.488 11.191 ( 2.978 -0.032 -0.029) 2.978 11.392 ( -1.279 -0.134 0.074) 1.289 11.881 ( 1.938 0.236 -0.154) 1.958 ======================= Grid point 896 (352/670) ======================= q-point: (-0.16 0.42 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.324 ( -9.765 -1.469 -0.746) 9.903 5.674 ( 1.108 -0.815 -0.520) 1.470 6.839 ( -13.044 -2.738 0.209) 13.330 9.742 ( 1.339 -0.648 0.213) 1.503 9.988 ( -5.916 -2.193 0.679) 6.346 10.264 ( 4.561 2.802 0.280) 5.360 11.278 ( 5.840 1.911 -0.143) 6.146 11.355 ( -2.079 -1.574 0.170) 2.613 11.938 ( 3.719 1.675 -0.394) 4.097 ======================= Grid point 897 (353/670) ======================= q-point: (-0.11 0.42 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.091 ( -16.537 0.040 -1.712) 16.625 5.589 ( -7.834 -8.279 -0.707) 11.420 6.628 ( -10.365 3.470 -0.032) 10.931 9.670 ( -7.499 -4.213 -0.563) 8.620 9.949 ( 2.856 -0.409 2.291) 3.684 10.371 ( 3.615 4.069 0.600) 5.476 11.297 ( -1.802 -3.338 0.318) 3.807 11.414 ( 7.884 2.346 -0.272) 8.230 12.031 ( 4.707 2.963 -0.736) 5.611 ======================= Grid point 908 (354/670) ======================= q-point: ( 0.47 0.47 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.409 ( -0.000 32.089 -4.500) 32.403 4.440 ( -0.000 14.518 0.090) 14.518 6.635 ( -0.000 17.379 -1.177) 17.419 9.077 ( -0.000 3.532 -0.128) 3.534 10.161 ( -0.000 1.937 2.596) 3.239 10.602 ( -0.000 -0.362 1.534) 1.576 11.119 ( 0.000 -4.086 0.059) 4.087 11.897 ( 0.000 -14.043 -0.055) 14.043 12.268 ( 0.000 -1.239 -1.278) 1.780 ======================= Grid point 909 (355/670) ======================= q-point: ( 0.53 0.47 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.664 ( 10.780 12.180 -0.634) 16.278 4.699 ( 2.203 26.336 -3.707) 26.687 6.741 ( -4.252 12.573 -0.885) 13.302 9.152 ( 5.155 3.274 -0.002) 6.106 10.164 ( -0.780 -1.631 2.438) 3.035 10.585 ( -2.647 0.826 1.322) 3.072 11.111 ( 3.225 -3.297 0.035) 4.612 11.756 ( -2.762 -10.097 -0.237) 10.471 12.232 ( -2.549 -1.243 -0.953) 2.992 ======================= Grid point 910 (356/670) ======================= q-point: ( 0.58 0.47 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.946 ( 3.154 19.962 -3.395) 20.492 5.022 ( 17.378 8.427 -0.334) 19.317 6.745 ( -6.493 8.747 -0.511) 10.905 9.311 ( 9.550 3.600 -0.055) 10.206 10.116 ( -2.046 -4.525 2.127) 5.403 10.536 ( -4.542 0.705 0.875) 4.679 11.157 ( 5.090 -2.013 0.072) 5.474 11.612 ( -4.767 -6.201 -0.304) 7.828 12.156 ( -4.608 -1.204 -0.588) 4.799 ======================= Grid point 911 (357/670) ======================= q-point: ( 0.63 0.47 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.155 ( 3.451 13.590 -2.297) 14.208 5.374 ( 15.937 3.551 -0.299) 16.330 6.729 ( -2.819 6.617 -0.236) 7.196 9.530 ( 11.705 4.096 -0.324) 12.405 10.027 ( -2.991 -5.842 1.696) 6.779 10.450 ( -6.095 -0.373 0.434) 6.122 11.234 ( 5.431 -0.731 0.044) 5.480 11.475 ( -6.022 -3.287 -0.257) 6.865 12.058 ( -5.476 -0.945 -0.225) 5.561 ======================= Grid point 912 (358/670) ======================= q-point: ( 0.68 0.47 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.311 ( 4.040 6.612 -1.081) 7.823 5.581 ( 6.191 0.642 -0.031) 6.224 6.810 ( 6.161 4.416 -0.250) 7.584 9.750 ( 8.071 3.952 -1.064) 9.050 9.936 ( -0.079 -5.303 1.561) 5.529 10.333 ( -6.769 -1.019 0.149) 6.847 11.315 ( 4.116 -0.050 -0.077) 4.117 11.347 ( -6.084 -1.491 -0.108) 6.265 11.963 ( -4.834 -0.394 0.070) 4.851 ======================= Grid point 913 (359/670) ======================= q-point: (-0.26 -0.53 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.410 ( 3.619 0.665 -0.145) 3.683 5.627 ( 0.017 0.667 0.274) 0.721 6.971 ( 8.772 -0.376 -0.358) 8.787 9.775 ( -3.192 -0.295 -0.762) 3.295 10.013 ( 8.412 -0.932 0.526) 8.480 10.224 ( -5.078 0.045 0.020) 5.078 11.238 ( -5.227 0.176 -0.027) 5.230 11.375 ( 2.594 -0.231 -0.109) 2.607 11.897 ( -2.946 0.431 0.238) 2.987 ======================= Grid point 914 (360/670) ======================= q-point: (-0.21 -0.53 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.441 ( 1.504 -3.266 0.186) 3.600 5.634 ( -0.076 1.674 0.376) 1.717 7.041 ( 2.566 -6.118 -0.314) 6.642 9.727 ( -1.855 0.531 -0.563) 2.010 10.093 ( 2.423 -3.011 0.156) 3.868 10.184 ( -0.937 2.458 -0.092) 2.632 11.191 ( -1.492 2.475 0.050) 2.890 11.394 ( 0.378 -1.069 -0.123) 1.141 11.878 ( -0.471 1.581 0.238) 1.667 ======================= Grid point 915 (361/670) ======================= q-point: (-0.16 0.47 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.397 ( -2.347 -4.437 -0.055) 5.020 5.655 ( 0.438 0.430 0.127) 0.627 6.941 ( -4.920 -8.337 -0.119) 9.682 9.724 ( 0.366 0.962 -0.219) 1.052 10.035 ( -3.541 -5.928 0.104) 6.906 10.238 ( 2.843 5.038 0.060) 5.785 11.236 ( 2.574 4.372 -0.003) 5.074 11.366 ( -1.509 -2.499 -0.034) 2.919 11.913 ( 1.878 3.019 0.054) 3.556 ======================= Grid point 916 (362/670) ======================= q-point: (-0.11 0.47 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.278 ( -7.447 -2.791 -0.682) 7.982 5.608 ( -4.111 -6.722 -0.282) 7.885 6.778 ( -6.154 -2.213 0.009) 6.540 9.715 ( -2.748 -3.344 -0.183) 4.333 9.923 ( -1.316 -3.345 0.867) 3.698 10.355 ( 4.029 5.911 0.243) 7.158 11.299 ( -2.485 -4.072 0.145) 4.772 11.344 ( 4.636 4.598 -0.145) 6.531 11.995 ( 3.529 4.223 -0.278) 5.510 ======================= Grid point 928 (363/670) ======================= q-point: ( 0.53 0.53 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.661 ( -0.000 8.487 -0.447) 8.499 4.920 ( -0.000 22.576 -3.976) 22.923 6.881 ( -0.000 9.029 -0.584) 9.048 9.133 ( -0.000 2.224 0.269) 2.241 10.152 ( -0.000 -3.549 1.938) 4.044 10.625 ( -0.000 1.423 1.208) 1.866 11.051 ( 0.000 -2.733 -0.146) 2.737 11.696 ( 0.000 -6.701 -0.310) 6.708 12.242 ( 0.000 -0.888 -0.560) 1.050 ======================= Grid point 929 (364/670) ======================= q-point: ( 0.58 0.53 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.824 ( 11.051 5.403 -0.672) 12.320 5.102 ( 0.559 16.087 -3.303) 16.432 6.911 ( -4.551 5.759 -0.216) 7.344 9.203 ( 5.901 1.829 0.367) 6.189 10.106 ( -1.333 -4.449 1.295) 4.821 10.614 ( -3.070 1.009 0.810) 3.332 11.061 ( 3.688 -1.717 -0.177) 4.072 11.625 ( -2.451 -3.675 -0.278) 4.426 12.210 ( -2.742 -0.541 -0.142) 2.798 ======================= Grid point 930 (365/670) ======================= q-point: ( 0.63 0.53 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.102 ( 16.470 2.539 -0.763) 16.682 5.232 ( 1.927 8.482 -2.181) 8.968 6.857 ( -6.226 3.076 0.036) 6.944 9.363 ( 10.728 1.607 0.286) 10.852 10.032 ( -2.820 -3.955 0.548) 4.888 10.549 ( -5.333 0.074 0.400) 5.349 11.131 ( 5.685 -0.702 -0.195) 5.732 11.541 ( -4.491 -1.420 -0.185) 4.714 12.142 ( -4.860 -0.083 0.239) 4.867 ======================= Grid point 931 (366/670) ======================= q-point: (-0.32 -0.47 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.290 ( 3.230 1.329 -1.227) 3.701 5.410 ( 14.287 0.306 -0.180) 14.291 6.795 ( -2.109 0.226 -0.050) 2.122 9.579 ( 12.998 0.668 0.080) 13.015 9.945 ( -3.828 -2.128 -0.182) 4.383 10.445 ( -6.748 -0.324 0.158) 6.757 11.225 ( 5.822 -0.214 -0.263) 5.832 11.446 ( -5.998 0.200 -0.076) 6.002 12.055 ( -5.684 0.551 0.518) 5.734 ======================= Grid point 932 (367/670) ======================= q-point: (-0.26 -0.47 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.328 ( 3.827 -4.523 -0.227) 5.929 5.592 ( 6.550 0.302 0.529) 6.578 6.806 ( 5.719 -4.601 -0.459) 7.355 9.774 ( 8.254 -2.173 -0.351) 8.543 9.885 ( -0.173 0.920 -0.548) 1.085 10.331 ( -6.583 0.676 0.035) 6.618 11.310 ( 4.438 -0.316 -0.321) 4.461 11.349 ( -6.390 1.791 0.036) 6.636 11.975 ( -4.947 1.372 0.657) 5.175 ======================= Grid point 933 (368/670) ======================= q-point: (-0.21 -0.47 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.335 ( 4.432 -8.406 0.478) 9.514 5.657 ( 0.698 1.681 0.938) 2.048 6.857 ( 7.974 -10.517 -0.666) 13.215 9.774 ( -2.168 0.064 -0.861) 2.333 9.972 ( 6.644 -2.720 -0.449) 7.193 10.257 ( -3.932 3.074 -0.087) 4.992 11.279 ( -4.819 3.984 0.124) 6.253 11.360 ( 2.182 -1.100 -0.314) 2.464 11.928 ( -2.882 2.476 0.663) 3.857 ======================= Grid point 934 (369/670) ======================= q-point: (-0.16 -0.47 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.318 ( 3.699 -9.538 0.778) 10.260 5.668 ( -0.994 0.412 0.779) 1.328 6.842 ( 3.962 -12.695 -0.428) 13.306 9.745 ( -1.398 0.520 -0.514) 1.577 9.994 ( 0.907 -5.577 -0.702) 5.693 10.266 ( 0.140 5.483 -0.219) 5.490 11.276 ( -1.246 5.972 0.169) 6.103 11.357 ( -0.397 -2.549 -0.255) 2.592 11.934 ( -0.247 3.927 0.542) 3.972 ======================= Grid point 948 (370/670) ======================= q-point: ( 0.58 0.58 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.765 ( -0.000 2.709 -0.950) 2.870 5.215 ( -0.000 9.433 -2.888) 9.865 6.994 ( -0.000 3.097 0.195) 3.103 9.165 ( -0.000 0.811 0.634) 1.030 10.082 ( 0.000 -3.441 0.406) 3.465 10.651 ( -0.000 0.373 0.561) 0.674 11.014 ( 0.000 -0.982 -0.355) 1.044 11.620 ( 0.000 -1.542 -0.187) 1.553 12.232 ( -0.000 0.034 0.314) 0.315 ======================= Grid point 949 (371/670) ======================= q-point: (-0.37 -0.42 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.870 ( 10.935 -0.079 -1.066) 10.988 5.264 ( 0.206 1.837 -2.115) 2.809 6.972 ( -4.647 0.573 0.521) 4.711 9.226 ( 6.281 0.137 0.717) 6.323 10.043 ( -1.597 -1.658 -0.475) 2.351 10.622 ( -3.251 -0.622 0.225) 3.317 11.042 ( 3.880 -0.092 -0.408) 3.903 11.593 ( -2.367 0.203 -0.086) 2.378 12.212 ( -2.823 0.583 0.699) 2.966 ======================= Grid point 950 (372/670) ======================= q-point: (-0.32 -0.42 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.099 ( 16.931 -2.384 -0.901) 17.122 5.253 ( 1.690 -5.412 -1.110) 5.777 6.867 ( -6.504 -2.160 0.582) 6.878 9.371 ( 10.870 -1.094 0.681) 10.946 9.996 ( -2.993 0.648 -1.283) 3.320 10.541 ( -5.178 -1.019 0.023) 5.278 11.126 ( 5.640 0.405 -0.451) 5.672 11.545 ( -4.490 1.771 -0.012) 4.826 12.157 ( -4.906 1.179 0.950) 5.135 ======================= Grid point 951 (373/670) ======================= q-point: (-0.26 -0.42 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.192 ( 3.385 -11.073 -0.429) 11.587 5.380 ( 16.680 -3.381 0.016) 17.019 6.738 ( -3.734 -6.045 0.243) 7.110 9.550 ( 12.178 -3.573 0.631) 12.707 9.954 ( -3.487 3.109 -1.946) 5.061 10.439 ( -5.802 -0.317 -0.078) 5.811 11.224 ( 5.420 0.463 -0.464) 5.460 11.481 ( -6.008 3.499 0.040) 6.952 12.084 ( -5.616 1.881 1.046) 6.014 ======================= Grid point 952 (374/670) ======================= q-point: (-0.21 -0.42 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.138 ( 5.582 -14.945 0.475) 15.961 5.585 ( 9.996 -2.149 0.826) 10.258 6.642 ( 2.580 -11.414 -0.340) 11.707 9.685 ( 8.587 -6.259 0.583) 10.642 9.938 ( -1.714 4.244 -2.353) 5.146 10.354 ( -4.603 1.568 -0.197) 4.867 11.303 ( 3.602 -0.043 -0.439) 3.629 11.420 ( -6.209 5.584 0.105) 8.351 12.021 ( -4.657 2.827 1.022) 5.543 ======================= Grid point 953 (375/670) ======================= q-point: (-0.16 -0.42 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.100 ( 7.599 -15.977 1.205) 17.733 5.664 ( 2.020 -3.217 1.142) 3.967 6.602 ( 7.324 -13.692 -0.479) 15.535 9.717 ( 2.960 -6.606 0.469) 7.254 9.953 ( -0.153 2.144 -2.378) 3.206 10.326 ( -1.600 3.825 -0.394) 4.165 11.333 ( 0.713 -1.379 -0.407) 1.605 11.391 ( -4.536 7.479 0.207) 8.749 11.998 ( -2.292 4.203 0.924) 4.876 ======================= Grid point 968 (376/670) ======================= q-point: (-0.37 -0.37 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.756 ( 0.000 -2.925 -1.387) 3.237 5.239 ( 0.000 -5.794 -1.693) 6.036 7.009 ( -0.000 -1.929 0.947) 2.149 9.172 ( -0.000 -0.631 0.947) 1.138 10.048 ( 0.000 0.419 -1.314) 1.379 10.639 ( 0.000 -1.693 0.003) 1.693 11.010 ( 0.000 0.911 -0.518) 1.048 11.623 ( -0.000 1.889 -0.012) 1.889 12.247 ( -0.000 1.077 1.059) 1.510 ======================= Grid point 969 (377/670) ======================= q-point: (-0.32 -0.37 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.809 ( 11.326 -5.566 -1.419) 12.699 5.146 ( 0.497 -12.965 -1.108) 13.022 6.938 ( -4.764 -4.748 1.153) 6.824 9.216 ( 5.975 -1.599 1.013) 6.268 10.043 ( -1.461 1.980 -1.953) 3.142 10.594 ( -2.859 -2.055 -0.131) 3.524 11.054 ( 3.574 1.612 -0.557) 3.960 11.630 ( -2.449 3.848 0.009) 4.561 12.239 ( -2.779 1.494 1.264) 3.399 ======================= Grid point 970 (378/670) ======================= q-point: (-0.26 -0.37 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.981 ( 10.595 -12.616 -1.332) 16.529 5.031 ( 10.583 -13.499 -0.164) 17.154 6.776 ( -7.147 -7.940 1.061) 10.735 9.331 ( 9.720 -3.344 0.962) 10.324 10.028 ( -2.355 2.846 -2.368) 4.388 10.514 ( -4.238 -1.475 -0.181) 4.491 11.145 ( 5.001 1.925 -0.543) 5.386 11.617 ( -4.733 6.133 -0.011) 7.747 12.195 ( -4.711 1.960 1.308) 5.268 ======================= Grid point 971 (379/670) ======================= q-point: (-0.21 -0.37 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.867 ( 5.370 -21.910 0.136) 22.559 5.267 ( 20.326 -8.784 -0.185) 22.144 6.571 ( -5.824 -11.268 0.690) 12.703 9.462 ( 10.181 -5.706 0.851) 11.702 10.009 ( -2.350 2.961 -2.584) 4.579 10.433 ( -4.098 -0.032 -0.256) 4.106 11.242 ( 4.304 1.750 -0.483) 4.671 11.594 ( -6.378 8.542 -0.022) 10.660 12.135 ( -5.156 2.644 1.236) 5.925 ======================= Grid point 972 (380/670) ======================= q-point: (-0.16 -0.37 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.772 ( 9.197 -22.816 1.064) 24.623 5.473 ( 13.907 -11.110 0.493) 17.807 6.402 ( 0.530 -12.221 0.256) 12.235 9.548 ( 7.385 -8.082 0.742) 10.973 9.996 ( -1.477 2.626 -2.682) 4.034 10.385 ( -2.362 1.878 -0.422) 3.047 11.307 ( 1.769 0.676 -0.422) 1.940 11.574 ( -6.812 10.454 0.032) 12.477 12.092 ( -3.778 3.790 1.121) 5.467 ======================= Grid point 988 (381/670) ======================= q-point: (-0.32 -0.32 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.636 ( 0.000 -8.682 -1.728) 8.853 4.978 ( 0.000 -19.922 -0.995) 19.947 6.922 ( 0.000 -8.178 1.473) 8.309 9.152 ( -0.000 -2.047 1.190) 2.368 10.069 ( 0.000 1.974 -2.323) 3.049 10.596 ( 0.000 -2.254 -0.192) 2.262 11.043 ( -0.000 2.697 -0.598) 2.763 11.701 ( -0.000 6.600 -0.033) 6.600 12.281 ( -0.000 1.624 1.413) 2.152 ======================= Grid point 989 (382/670) ======================= q-point: (-0.26 -0.32 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.636 ( 11.816 -11.553 -1.742) 16.617 4.766 ( 1.608 -25.124 -0.679) 25.184 6.788 ( -4.542 -11.961 1.516) 12.884 9.177 ( 5.189 -3.089 1.215) 6.160 10.068 ( -0.956 0.939 -2.446) 2.789 10.555 ( -2.457 -1.387 -0.180) 2.827 11.099 ( 3.130 3.290 -0.580) 4.578 11.757 ( -2.739 9.726 -0.116) 10.105 12.279 ( -2.596 1.757 1.401) 3.434 ======================= Grid point 990 (383/670) ======================= q-point: (-0.21 -0.32 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.540 ( 4.311 -28.358 -0.453) 28.688 4.798 ( 20.587 -13.833 -1.079) 24.826 6.562 ( -6.584 -15.136 1.341) 16.560 9.258 ( 8.119 -4.776 1.100) 9.484 10.044 ( -1.158 -0.506 -2.406) 2.718 10.495 ( -3.554 0.051 -0.208) 3.560 11.194 ( 4.143 3.419 -0.495) 5.395 11.796 ( -5.439 12.620 -0.181) 13.744 12.242 ( -4.222 2.099 1.277) 4.885 ======================= Grid point 991 (384/670) ======================= q-point: (-0.16 -0.32 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.367 ( 8.868 -29.273 0.432) 30.590 5.019 ( 22.074 -16.888 -0.540) 27.799 6.315 ( -4.146 -15.701 1.055) 16.273 9.345 ( 8.093 -6.855 0.891) 10.643 10.012 ( -0.446 -1.519 -2.319) 2.808 10.445 ( -3.104 1.741 -0.331) 3.574 11.285 ( 2.728 2.701 -0.397) 3.859 11.818 ( -7.610 14.596 -0.168) 16.462 12.196 ( -4.196 2.891 1.116) 5.217 ======================= Grid point 1008 (385/670) ======================= q-point: (-0.26 -0.26 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.399 ( 0.000 -14.697 -1.952) 14.826 4.478 ( 0.000 -30.569 -0.984) 30.585 6.691 ( 0.000 -17.086 1.632) 17.163 9.106 ( -0.000 -3.362 1.350) 3.623 10.064 ( 0.000 -1.844 -2.297) 2.946 10.569 ( 0.000 0.068 -0.094) 0.116 11.106 ( -0.000 4.099 -0.590) 4.141 11.893 ( -0.000 13.514 -0.229) 13.516 12.321 ( -0.000 1.519 1.337) 2.024 ======================= Grid point 1009 (386/670) ======================= q-point: (-0.21 -0.26 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.179 ( 2.488 -33.646 -1.031) 33.754 4.350 ( 12.990 -17.663 -1.745) 21.995 6.475 ( -3.356 -21.655 1.527) 21.967 9.112 ( 4.314 -4.298 1.319) 6.230 10.024 ( -0.193 -4.521 -2.056) 4.970 10.556 ( -2.563 1.958 -0.059) 3.226 11.171 ( 2.782 4.427 -0.517) 5.254 12.012 ( -3.251 16.561 -0.278) 16.879 12.319 ( -2.274 1.519 1.151) 2.967 ======================= Grid point 1010 (387/670) ======================= q-point: (-0.16 -0.26 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.921 ( 7.081 -34.674 -0.488) 35.393 4.460 ( 21.394 -20.402 -1.301) 29.591 6.195 ( -3.180 -23.777 1.307) 24.024 9.162 ( 6.537 -5.733 1.112) 8.766 9.967 ( 0.548 -6.269 -1.824) 6.552 10.528 ( -3.783 3.707 -0.145) 5.298 11.266 ( 3.188 4.056 -0.388) 5.174 12.099 ( -6.511 18.164 -0.191) 19.297 12.288 ( -3.473 2.102 0.879) 4.154 ======================= Grid point 1028 (388/670) ======================= q-point: (-0.21 -0.21 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.809 ( 0.000 -37.246 -1.428) 37.274 4.044 ( 0.000 -20.806 -2.058) 20.907 6.264 ( 0.000 -28.189 1.457) 28.227 9.038 ( 0.000 -4.464 1.411) 4.682 9.958 ( 0.000 -7.963 -1.705) 8.143 10.611 ( -0.000 4.448 0.101) 4.449 11.190 ( -0.000 4.849 -0.514) 4.876 12.213 ( -0.000 18.741 -0.138) 18.741 12.355 ( -0.000 1.779 0.773) 1.940 ======================= Grid point 1029 (389/670) ======================= q-point: (-0.16 -0.21 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.468 ( 4.138 -38.469 -1.420) 38.717 3.941 ( 13.537 -23.609 -1.845) 27.277 5.959 ( -0.841 -32.569 1.273) 32.605 9.027 ( 3.519 -5.180 1.305) 6.397 9.869 ( 0.759 -10.218 -1.418) 10.344 10.638 ( -3.093 6.472 0.110) 7.173 11.259 ( 2.389 4.730 -0.410) 5.315 12.326 ( -2.139 4.584 1.185) 5.196 12.401 ( -3.519 17.292 -0.734) 17.662 ======================= Grid point 1048 (390/670) ======================= q-point: (-0.16 -0.16 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.043 ( 0.000 -40.211 -2.022) 40.262 3.573 ( 0.000 -26.650 -2.044) 26.728 5.614 ( 0.000 -39.527 1.139) 39.543 8.951 ( 0.000 -5.202 1.352) 5.375 9.745 ( 0.000 -12.873 -1.139) 12.924 10.742 ( -0.000 8.741 0.286) 8.745 11.283 ( -0.000 4.833 -0.403) 4.850 12.357 ( -0.000 0.154 0.864) 0.877 12.634 ( -0.000 22.173 -0.595) 22.181 ======================= Grid point 1149 (391/670) ======================= q-point: ( 0.16 0.16 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 670 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.368 ( -0.000 0.000 13.701) 13.701 0.368 ( -0.000 0.000 13.701) 13.701 0.520 ( -0.000 0.000 18.763) 18.763 8.578 ( 0.000 -0.000 -1.107) 1.107 8.578 ( 0.000 -0.000 -1.107) 1.107 11.531 ( -0.000 0.000 0.356) 0.356 11.531 ( -0.000 0.000 0.356) 0.356 12.216 ( 0.000 -0.000 -1.124) 1.124 14.081 ( -0.000 0.000 0.616) 0.616 ======================= Grid point 1150 (392/670) ======================= q-point: ( 0.21 0.16 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.629 ( 7.741 4.469 13.438) 16.139 0.873 ( 31.647 18.271 5.528) 36.958 1.383 ( 54.185 31.284 4.152) 62.706 8.602 ( 2.140 1.235 -1.046) 2.683 8.648 ( 6.627 3.826 -1.000) 7.718 11.514 ( -3.342 -1.930 -0.720) 3.926 11.521 ( -0.886 -0.512 0.362) 1.085 12.224 ( 1.251 0.722 -1.403) 2.014 13.989 ( -7.146 -4.126 1.578) 8.401 ======================= Grid point 1151 (393/670) ======================= q-point: ( 0.26 0.16 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.938 ( 17.874 10.320 5.189) 21.282 1.614 ( 32.715 18.888 2.895) 37.886 2.600 ( 53.136 30.678 1.533) 61.375 8.665 ( 3.632 2.097 -1.027) 4.318 8.855 ( 11.725 6.769 -0.347) 13.543 11.381 ( -7.872 -4.545 -0.033) 9.090 11.493 ( -1.801 -1.040 0.364) 2.111 12.257 ( 1.851 1.069 -1.677) 2.717 13.780 ( -11.911 -6.877 1.207) 13.807 ======================= Grid point 1152 (394/670) ======================= q-point: ( 0.32 0.16 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.450 ( 26.842 15.497 -0.248) 30.995 2.332 ( 30.607 17.671 2.007) 35.399 3.744 ( 48.593 28.055 0.164) 56.111 8.755 ( 4.576 2.642 -1.046) 5.386 9.152 ( 14.329 8.273 0.514) 16.553 11.182 ( -9.594 -5.539 0.402) 11.085 11.442 ( -2.784 -1.607 0.369) 3.236 12.291 ( 1.497 0.864 -1.732) 2.446 13.468 ( -16.154 -9.326 0.915) 18.675 ======================= Grid point 1153 (395/670) ======================= q-point: ( 0.37 0.16 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.111 ( 32.052 18.506 -2.586) 37.101 2.985 ( 27.183 15.694 1.653) 31.432 4.758 ( 41.926 24.206 -0.797) 48.419 8.859 ( 4.903 2.830 -1.081) 5.763 9.480 ( 14.418 8.324 1.389) 16.706 10.970 ( -9.201 -5.312 0.701) 10.647 11.371 ( -3.700 -2.136 0.381) 4.289 12.312 ( 0.800 0.462 -1.749) 1.978 13.074 ( -18.949 -10.940 0.756) 21.893 ======================= Grid point 1154 (396/670) ======================= q-point: ( 0.42 0.16 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.842 ( 33.582 19.389 -3.151) 38.905 3.550 ( 22.846 13.190 1.534) 26.425 5.600 ( 33.489 19.335 -1.467) 38.698 8.963 ( 4.666 2.694 -1.111) 5.501 9.787 ( 12.252 7.074 2.158) 14.311 10.789 ( -6.914 -3.992 0.937) 8.039 11.282 ( -4.310 -2.488 0.404) 4.993 12.316 ( -0.061 -0.035 -1.753) 1.754 12.641 ( -19.497 -11.256 0.623) 22.521 ======================= Grid point 1155 (397/670) ======================= q-point: ( 0.47 0.16 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.571 ( 31.870 18.400 -2.700) 36.900 4.010 ( 17.880 10.323 1.521) 20.702 6.239 ( 24.016 13.866 -1.811) 27.790 9.058 ( 3.995 2.307 -1.118) 4.747 10.023 ( 7.895 4.558 2.742) 9.520 10.676 ( -3.362 -1.941 1.038) 4.019 11.185 ( -4.368 -2.522 0.442) 5.063 12.209 ( -16.044 -9.263 0.250) 18.528 12.319 ( -1.903 -1.098 -1.573) 2.702 ======================= Grid point 1156 (398/670) ======================= q-point: ( 0.53 0.16 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.230 ( 27.164 15.683 -1.535) 31.404 4.355 ( 12.611 7.281 1.539) 14.643 6.667 ( 14.990 8.654 -1.781) 17.400 9.134 ( 3.039 1.754 -1.104) 3.679 10.141 ( 1.702 0.983 3.027) 3.609 10.643 ( -0.039 -0.022 0.832) 0.833 11.094 ( -3.750 -2.165 0.495) 4.358 11.881 ( -12.054 -6.960 0.094) 13.919 12.293 ( -0.740 -0.427 -1.630) 1.840 ======================= Grid point 1157 (399/670) ======================= q-point: ( 0.58 0.16 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.583 ( 7.366 4.253 1.554) 8.647 4.755 ( 19.416 11.210 0.172) 22.420 6.914 ( 7.897 4.560 -1.457) 9.235 9.186 ( 1.920 1.108 -1.082) 2.467 10.124 ( -3.341 -1.929 2.748) 4.737 10.663 ( 1.207 0.697 0.207) 1.409 11.024 ( -2.524 -1.457 0.555) 2.967 11.685 ( -5.576 -3.219 -0.093) 6.439 12.275 ( -0.428 -0.247 -1.377) 1.463 ======================= Grid point 1158 (400/670) ======================= q-point: ( 0.63 0.16 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.695 ( 2.327 1.344 1.571) 3.113 5.076 ( 8.583 4.955 2.082) 10.127 7.028 ( 2.863 1.653 -1.032) 3.463 9.213 ( 0.721 0.416 -1.072) 1.357 10.045 ( -3.439 -1.985 1.813) 4.365 10.680 ( 0.102 0.059 -0.547) 0.560 10.987 ( -0.913 -0.527 0.606) 1.216 11.614 ( -1.181 -0.682 -0.012) 1.364 12.270 ( 0.278 0.161 -1.025) 1.074 ======================= Grid point 1159 (401/670) ======================= q-point: (-0.32 0.16 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.697 ( -2.577 -1.488 1.614) 3.386 5.134 ( -4.289 -2.476 3.558) 6.098 7.042 ( -1.450 -0.837 -0.691) 1.811 9.212 ( -0.510 -0.294 -1.089) 1.238 10.007 ( -0.093 -0.054 0.804) 0.811 10.659 ( -1.716 -0.991 -1.034) 2.235 10.988 ( 0.816 0.471 0.623) 1.130 11.620 ( 1.649 0.952 0.129) 1.909 12.282 ( 1.021 0.590 -0.708) 1.376 ======================= Grid point 1160 (402/670) ======================= q-point: (-0.26 0.16 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.588 ( -7.568 -4.369 1.695) 8.901 4.908 ( -16.583 -9.574 4.084) 19.579 6.950 ( -6.900 -3.984 -0.579) 7.989 9.184 ( -1.733 -1.000 -1.140) 2.303 10.032 ( 1.489 0.860 0.350) 1.755 10.608 ( -2.149 -1.241 -1.105) 2.717 11.026 ( 2.409 1.391 0.597) 2.845 11.698 ( 5.618 3.244 0.215) 6.491 12.308 ( 1.369 0.790 -0.531) 1.667 ======================= Grid point 1161 (403/670) ======================= q-point: (-0.21 0.16 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.366 ( -12.764 -7.369 1.803) 14.848 4.436 ( -26.047 -15.038 3.732) 30.307 6.712 ( -14.714 -8.495 -0.734) 17.006 9.129 ( -2.884 -1.665 -1.214) 3.544 10.040 ( -1.608 -0.928 0.505) 1.924 10.576 ( -0.070 -0.040 -0.880) 0.884 11.096 ( 3.618 2.089 0.537) 4.212 11.889 ( 11.630 6.715 0.257) 13.432 12.337 ( 1.223 0.706 -0.484) 1.492 ======================= Grid point 1162 (404/670) ======================= q-point: (-0.16 0.16 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.790 ( -32.075 -18.518 2.915) 37.151 4.027 ( -18.038 -10.414 1.919) 20.916 6.274 ( -24.408 -14.092 -0.993) 28.202 9.049 ( -3.857 -2.227 -1.292) 4.638 9.947 ( -6.877 -3.971 0.884) 7.990 10.614 ( 3.799 2.194 -0.566) 4.424 11.186 ( 4.234 2.444 0.465) 4.911 12.212 ( 16.534 9.546 0.139) 19.092 12.359 ( 1.178 0.680 -0.359) 1.406 ======================= Grid point 1169 (405/670) ======================= q-point: ( 0.21 0.21 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.680 ( -0.000 9.551 13.089) 16.204 0.951 ( -0.000 36.541 6.446) 37.105 1.353 ( -0.000 61.672 3.855) 61.793 8.584 ( 0.000 1.753 -1.372) 2.227 8.659 ( -0.000 8.371 -0.842) 8.414 11.509 ( 0.000 -4.006 -0.624) 4.055 11.525 ( -0.000 -0.909 0.423) 1.003 12.221 ( 0.000 1.414 -1.430) 2.010 13.994 ( 0.000 -8.220 1.513) 8.358 ======================= Grid point 1170 (406/670) ======================= q-point: ( 0.26 0.21 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.883 ( 6.841 15.831 7.503) 18.807 1.478 ( 16.841 35.562 3.906) 39.542 2.255 ( 32.219 51.799 1.880) 61.030 8.628 ( 2.797 2.548 -1.316) 4.006 8.798 ( 5.361 11.292 -0.430) 12.507 11.419 ( -3.976 -7.397 -0.177) 8.400 11.510 ( -0.825 -1.102 0.400) 1.433 12.241 ( 0.981 1.765 -1.660) 2.614 13.852 ( -6.195 -10.646 1.318) 12.388 ======================= Grid point 1171 (407/670) ======================= q-point: ( 0.32 0.21 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.272 ( 16.170 21.927 1.675) 27.296 2.149 ( 21.539 32.297 2.557) 38.904 3.320 ( 39.319 40.928 0.481) 56.757 8.711 ( 3.900 3.516 -1.256) 5.399 9.044 ( 9.973 12.248 0.296) 15.798 11.246 ( -6.641 -9.090 0.250) 11.260 11.477 ( -2.070 -0.935 0.412) 2.309 12.271 ( 1.243 1.188 -1.746) 2.450 13.594 ( -11.243 -12.891 1.023) 17.136 ======================= Grid point 1172 (408/670) ======================= q-point: ( 0.37 0.21 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.843 ( 23.975 25.083 -1.520) 34.731 2.813 ( 20.707 29.527 1.967) 36.118 4.334 ( 38.996 31.763 -0.541) 50.297 8.815 ( 4.251 4.357 -1.252) 6.215 9.352 ( 12.219 11.559 1.133) 16.858 11.038 ( -7.296 -9.279 0.538) 11.816 11.424 ( -3.498 -0.678 0.425) 3.589 12.292 ( 1.050 0.179 -1.747) 2.046 13.240 ( -15.095 -14.490 0.827) 20.940 ======================= Grid point 1173 (409/670) ======================= q-point: ( 0.42 0.21 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.527 ( 28.419 25.497 -2.585) 38.268 3.413 ( 17.556 26.732 1.714) 32.028 5.220 ( 34.790 23.254 -1.269) 41.865 8.927 ( 3.979 4.951 -1.262) 6.476 9.667 ( 12.021 9.647 1.891) 15.529 10.840 ( -6.032 -8.159 0.755) 10.174 11.350 ( -4.795 -0.404 0.441) 4.832 12.299 ( 0.693 -0.921 -1.730) 2.079 12.825 ( -17.161 -14.998 0.700) 22.802 ======================= Grid point 1174 (410/670) ======================= q-point: ( 0.47 0.21 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.250 ( 29.452 23.850 -2.422) 37.975 3.921 ( 13.240 23.588 1.620) 27.098 5.930 ( 28.093 15.134 -1.686) 31.955 9.034 ( 3.168 5.332 -1.254) 6.327 9.936 ( 9.494 6.689 2.475) 11.874 10.694 ( -3.204 -5.985 0.876) 6.845 11.261 ( -5.583 -0.069 0.467) 5.603 12.284 ( -0.793 -2.716 -1.479) 3.193 12.401 ( -15.627 -13.225 0.325) 20.474 ======================= Grid point 1175 (411/670) ======================= q-point: ( 0.53 0.21 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.940 ( 27.321 20.553 -1.515) 34.223 4.319 ( 8.391 20.086 1.593) 21.827 6.442 ( 20.322 7.899 -1.751) 21.873 9.126 ( 1.955 5.553 -1.219) 6.012 10.111 ( 4.648 2.686 2.823) 6.065 10.625 ( 0.147 -3.566 0.783) 3.654 11.169 ( -5.597 0.476 0.509) 5.641 12.006 ( -13.241 -11.334 0.315) 17.432 12.277 ( 0.211 -2.546 -1.663) 3.048 ======================= Grid point 1176 (412/670) ======================= q-point: ( 0.58 0.21 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.533 ( 21.806 15.691 -0.169) 26.865 4.600 ( 3.747 16.538 1.658) 17.038 6.764 ( 13.169 2.369 -1.509) 13.465 9.198 ( 0.491 5.647 -1.165) 5.786 10.152 ( -1.154 -1.560 2.806) 3.412 10.624 ( 2.327 -2.195 0.318) 3.215 11.091 ( -4.844 1.376 0.566) 5.068 11.742 ( -7.258 -7.323 0.025) 10.310 12.254 ( 0.624 -2.718 -1.473) 3.154 ======================= Grid point 1177 (413/670) ======================= q-point: ( 0.63 0.21 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.763 ( -1.222 12.957 1.495) 13.101 4.964 ( 13.483 9.627 1.653) 16.649 6.936 ( 7.629 -1.300 -1.132) 7.821 9.244 ( -1.112 5.577 -1.106) 5.793 10.084 ( -3.723 -3.592 2.202) 5.622 10.644 ( 2.312 -2.479 -0.353) 3.409 11.040 ( -3.617 2.530 0.606) 4.456 11.617 ( -1.755 -3.840 -0.021) 4.222 12.241 ( 1.337 -2.563 -1.192) 3.127 ======================= Grid point 1178 (414/670) ======================= q-point: (-0.32 0.21 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.818 ( -5.937 10.027 1.536) 11.754 5.161 ( 1.909 2.236 3.034) 4.224 6.999 ( 3.284 -3.933 -0.814) 5.189 9.261 ( -2.748 5.140 -1.065) 5.925 10.009 ( -1.364 -2.497 1.292) 3.125 10.641 ( 0.842 -3.385 -0.824) 3.584 11.022 ( -2.171 3.460 0.606) 4.129 11.590 ( 1.472 -1.898 0.079) 2.404 12.245 ( 2.220 -2.137 -0.914) 3.215 ======================= Grid point 1179 (415/670) ======================= q-point: (-0.26 0.21 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.767 ( -10.824 7.440 1.603) 13.232 5.080 ( -10.954 -5.037 3.610) 12.586 6.964 ( -1.317 -6.612 -0.693) 6.777 9.245 ( -4.148 4.139 -1.080) 5.958 10.006 ( 1.931 -0.499 0.765) 2.136 10.605 ( -0.563 -3.709 -0.933) 3.866 11.038 ( -0.419 4.030 0.587) 4.094 11.628 ( 4.530 -0.212 0.159) 4.538 12.267 ( 2.805 -1.702 -0.746) 3.365 ======================= Grid point 1180 (416/670) ======================= q-point: (-0.21 0.21 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.605 ( -16.162 4.503 1.739) 16.867 4.731 ( -22.225 -10.247 3.236) 24.687 6.809 ( -7.854 -9.960 -0.828) 12.712 9.197 ( -5.132 2.818 -1.155) 5.967 10.039 ( 1.160 -0.441 0.848) 1.503 10.560 ( -0.085 -2.984 -0.733) 3.074 11.089 ( 1.299 4.464 0.539) 4.680 11.754 ( 9.695 2.453 0.215) 10.002 12.298 ( 2.815 -1.426 -0.705) 3.234 ======================= Grid point 1181 (417/670) ======================= q-point: (-0.16 0.21 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.164 ( -30.234 -14.319 2.436) 33.542 4.335 ( -21.949 2.565 1.759) 22.169 6.486 ( -17.020 -13.756 -1.099) 21.912 9.123 ( -5.820 1.524 -1.242) 6.143 10.010 ( -3.787 -2.436 1.193) 4.658 10.558 ( 2.945 -1.334 -0.409) 3.259 11.167 ( 2.453 4.680 0.472) 5.305 12.010 ( 15.962 5.473 0.257) 16.876 12.326 ( 2.381 -1.258 -0.710) 2.785 ======================= Grid point 1189 (418/670) ======================= q-point: ( 0.26 0.26 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.027 ( -0.000 21.352 5.414) 22.027 1.705 ( -0.000 37.492 3.706) 37.675 2.565 ( -0.000 60.995 1.323) 61.009 8.629 ( 0.000 3.591 -1.416) 3.860 8.878 ( -0.000 14.078 -0.189) 14.079 11.373 ( 0.000 -9.257 -0.049) 9.257 11.500 ( 0.000 -1.966 0.439) 2.014 12.249 ( 0.000 2.155 -1.699) 2.744 13.788 ( 0.000 -13.760 1.220) 13.814 ======================= Grid point 1190 (419/670) ======================= q-point: ( 0.32 0.26 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.328 ( 6.788 27.225 1.679) 28.109 2.198 ( 13.675 35.991 2.695) 38.595 3.297 ( 17.671 53.742 0.477) 56.575 8.687 ( 2.723 4.270 -1.339) 5.239 9.060 ( 4.423 15.345 0.306) 15.972 11.240 ( -4.033 -10.634 0.246) 11.376 11.481 ( -0.045 -2.121 0.425) 2.164 12.267 ( 0.339 1.718 -1.733) 2.464 13.598 ( -5.666 -16.096 1.019) 17.095 ======================= Grid point 1191 (420/670) ======================= q-point: ( 0.37 0.26 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.790 ( 14.357 30.846 -1.155) 34.043 2.820 ( 17.810 34.525 1.986) 38.899 4.134 ( 25.457 42.168 -0.374) 49.258 8.788 ( 4.088 5.061 -1.286) 6.632 9.313 ( 7.797 14.663 0.998) 16.637 11.050 ( -5.892 -10.991 0.498) 12.481 11.456 ( -1.085 -1.614 0.433) 1.992 12.279 ( 0.254 0.547 -1.727) 1.829 13.301 ( -10.348 -17.672 0.839) 20.496 ======================= Grid point 1192 (421/670) ======================= q-point: ( 0.42 0.26 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.383 ( 20.522 31.357 -2.395) 37.552 3.444 ( 16.063 33.370 1.625) 37.071 4.933 ( 27.745 30.064 -1.066) 40.923 8.909 ( 4.288 6.034 -1.279) 7.512 9.596 ( 9.393 12.370 1.706) 15.626 10.849 ( -5.635 -10.099 0.694) 11.586 11.413 ( -2.736 -0.813 0.449) 2.889 12.275 ( 0.143 -0.990 -1.696) 1.969 12.925 ( -13.596 -18.235 0.713) 22.756 ======================= Grid point 1193 (422/670) ======================= q-point: ( 0.47 0.26 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.049 ( 24.001 29.382 -2.430) 38.017 3.998 ( 11.652 31.640 1.444) 33.749 5.621 ( 26.188 18.680 -1.489) 32.202 9.036 ( 3.623 7.048 -1.273) 8.026 9.861 ( 8.863 8.948 2.281) 12.800 10.683 ( -3.601 -8.037 0.809) 8.844 11.351 ( -4.368 0.053 0.459) 4.392 12.255 ( 0.031 -2.675 -1.578) 3.105 12.512 ( -14.683 -17.348 0.527) 22.734 ======================= Grid point 1194 (423/670) ======================= q-point: ( 0.53 0.26 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.721 ( 24.482 25.622 -1.710) 35.480 4.446 ( 6.335 28.770 1.333) 29.490 6.156 ( 21.989 9.075 -1.566) 23.839 9.156 ( 2.328 7.987 -1.232) 8.410 10.063 ( 5.979 4.590 2.640) 7.986 10.584 ( -0.570 -5.512 0.760) 5.594 11.274 ( -5.363 0.989 0.473) 5.474 12.101 ( -12.717 -14.695 0.486) 19.439 12.237 ( -0.223 -4.214 -1.649) 4.530 ======================= Grid point 1195 (424/670) ======================= q-point: ( 0.58 0.26 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.335 ( 21.905 20.495 -0.525) 30.003 4.772 ( 1.203 24.851 1.253) 24.912 6.528 ( 16.547 2.260 -1.322) 16.753 9.259 ( 0.618 8.763 -1.145) 8.859 10.151 ( 0.999 -0.370 2.726) 2.927 10.556 ( 2.047 -3.844 0.404) 4.374 11.199 ( -5.380 2.172 0.505) 5.824 11.786 ( -8.764 -11.274 0.178) 14.280 12.200 ( 0.915 -4.401 -1.462) 4.727 ======================= Grid point 1196 (425/670) ======================= q-point: ( 0.63 0.26 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.826 ( 15.828 14.237 0.804) 21.304 4.979 ( -2.945 20.623 1.282) 20.872 6.756 ( 11.130 -1.775 -0.929) 11.309 9.338 ( -1.334 9.293 -1.011) 9.443 10.112 ( -3.234 -4.081 2.359) 5.717 10.565 ( 3.000 -3.930 -0.218) 4.949 11.144 ( -4.634 3.588 0.541) 5.885 11.602 ( -2.888 -7.097 0.022) 7.662 12.175 ( 1.746 -4.563 -1.209) 5.033 ======================= Grid point 1197 (426/670) ======================= q-point: ( 0.68 0.26 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.066 ( -5.659 15.881 0.937) 16.885 5.143 ( 5.416 8.281 2.384) 10.178 6.869 ( 6.345 -4.408 -0.605) 7.750 9.386 ( -3.546 9.370 -0.846) 10.054 10.014 ( -2.863 -4.557 1.544) 5.599 10.569 ( 2.541 -4.842 -0.673) 5.509 11.116 ( -3.718 4.695 0.536) 6.013 11.536 ( 1.177 -4.504 0.068) 4.656 12.167 ( 2.820 -4.262 -0.968) 5.202 ======================= Grid point 1198 (427/670) ======================= q-point: (-0.26 0.26 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.071 ( -11.003 13.942 1.114) 17.795 5.199 ( -5.230 0.536 2.821) 5.966 6.882 ( 2.023 -7.136 -0.495) 7.434 9.391 ( -5.934 8.420 -0.756) 10.329 9.966 ( 1.170 -2.512 0.951) 2.930 10.551 ( 1.445 -5.204 -0.765) 5.455 11.112 ( -2.587 5.193 0.511) 5.825 11.543 ( 3.841 -2.966 0.122) 4.854 12.181 ( 3.771 -3.713 -0.827) 5.356 ======================= Grid point 1199 (428/670) ======================= q-point: (-0.21 0.26 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.952 ( -16.485 2.217 1.970) 16.750 5.015 ( -16.828 4.588 1.729) 17.528 6.791 ( -2.832 -10.376 -0.662) 10.776 9.347 ( -7.489 6.536 -0.857) 9.977 9.998 ( 3.233 -0.804 1.066) 3.498 10.517 ( 0.668 -4.585 -0.555) 4.666 11.136 ( -0.844 5.389 0.481) 5.476 11.616 ( 7.623 -1.034 0.147) 7.695 12.213 ( 4.167 -3.158 -0.821) 5.292 ======================= Grid point 1200 (429/670) ======================= q-point: (-0.16 0.26 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.531 ( -26.583 -9.899 1.652) 28.415 4.788 ( -22.498 11.123 1.206) 25.126 6.572 ( -9.641 -13.337 -1.016) 16.488 9.267 ( -8.095 4.553 -1.013) 9.343 10.028 ( 0.114 -1.317 1.537) 2.027 10.495 ( 1.763 -3.159 -0.201) 3.624 11.190 ( 0.897 5.349 0.433) 5.441 11.795 ( 13.590 1.597 0.202) 13.685 12.252 ( 3.934 -2.637 -0.895) 4.820 ======================= Grid point 1209 (430/670) ======================= q-point: ( 0.32 0.32 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.563 ( -0.000 31.892 -0.033) 31.892 2.427 ( -0.000 35.119 2.314) 35.195 3.705 ( -0.000 55.912 0.159) 55.912 8.704 ( -0.000 4.879 -1.246) 5.035 9.183 ( -0.000 16.799 0.535) 16.807 11.170 ( 0.000 -11.398 0.390) 11.405 11.453 ( 0.000 -3.093 0.408) 3.120 12.278 ( 0.000 1.767 -1.709) 2.458 13.479 ( 0.000 -18.581 0.910) 18.604 ======================= Grid point 1210 (431/670) ======================= q-point: ( 0.37 0.32 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.938 ( 6.150 35.228 -1.856) 35.809 2.883 ( 13.149 33.141 1.736) 35.696 4.302 ( 8.846 49.386 -0.353) 50.174 8.775 ( 2.794 5.340 -1.129) 6.132 9.377 ( 3.283 16.510 0.989) 16.863 11.026 ( -3.828 -11.389 0.591) 12.030 11.432 ( 0.892 -3.240 0.395) 3.384 12.284 ( -0.429 1.026 -1.675) 2.011 13.249 ( -5.144 -20.175 0.769) 20.835 ======================= Grid point 1211 (432/670) ======================= q-point: ( 0.42 0.32 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.431 ( 12.036 36.054 -2.860) 38.117 3.476 ( 18.403 31.648 1.306) 36.633 4.918 ( 13.226 38.578 -0.875) 40.792 8.889 ( 4.534 6.043 -1.081) 7.632 9.606 ( 5.455 14.486 1.565) 15.558 10.842 ( -5.184 -10.393 0.764) 11.639 11.417 ( 0.447 -2.678 0.411) 2.746 12.271 ( -1.008 -0.345 -1.631) 1.948 12.930 ( -9.245 -20.720 0.647) 22.698 ======================= Grid point 1212 (433/670) ======================= q-point: ( 0.47 0.32 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.008 ( 16.665 34.247 -2.929) 38.199 4.083 ( 16.564 31.099 1.060) 35.251 5.469 ( 15.458 25.753 -1.245) 30.062 9.031 ( 4.942 7.148 -1.090) 8.758 9.836 ( 6.232 11.009 2.111) 12.825 10.671 ( -4.291 -8.362 0.867) 9.439 11.393 ( -1.056 -1.676 0.427) 2.027 12.236 ( -1.262 -2.131 -1.514) 2.903 12.555 ( -11.719 -19.932 0.485) 23.127 ======================= Grid point 1213 (434/670) ======================= q-point: ( 0.53 0.32 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.619 ( 19.162 30.374 -2.294) 35.986 4.613 ( 10.327 30.229 0.878) 31.957 5.923 ( 16.408 13.488 -1.304) 21.280 9.182 ( 4.157 8.516 -1.095) 9.539 10.027 ( 5.212 6.412 2.491) 8.630 10.551 ( -1.971 -5.887 0.831) 6.264 11.351 ( -2.781 -0.396 0.427) 2.841 12.144 ( -8.799 -13.834 0.354) 16.399 12.209 ( -4.147 -7.717 -1.430) 8.877 ======================= Grid point 1214 (435/670) ======================= q-point: ( 0.58 0.32 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.207 ( 19.056 25.046 -1.211) 31.494 5.006 ( 2.923 27.149 0.661) 27.314 6.278 ( 15.798 5.064 -0.987) 16.619 9.324 ( 2.484 9.835 -1.036) 10.196 10.134 ( 2.057 1.097 2.619) 3.506 10.494 ( 0.556 -4.267 0.542) 4.337 11.299 ( -3.868 1.177 0.421) 4.065 11.817 ( -9.538 -14.259 0.271) 17.157 12.141 ( -0.048 -4.805 -1.405) 5.006 ======================= Grid point 1215 (436/670) ======================= q-point: ( 0.63 0.32 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.716 ( 16.006 18.683 0.072) 24.602 5.244 ( -2.563 21.807 0.453) 21.962 6.547 ( 12.694 1.558 -0.475) 12.798 9.445 ( 0.314 10.763 -0.866) 10.802 10.127 ( -2.176 -3.504 2.386) 4.765 10.478 ( 2.111 -4.519 -0.054) 4.988 11.253 ( -3.973 2.973 0.427) 4.980 11.581 ( -4.546 -9.908 0.062) 10.902 12.097 ( 1.093 -5.316 -1.124) 5.543 ======================= Grid point 1216 (437/670) ======================= q-point: ( 0.68 0.32 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.084 ( 9.576 11.611 1.206) 15.099 5.361 ( -5.437 16.815 0.370) 17.676 6.725 ( 7.461 0.117 -0.062) 7.462 9.535 ( -2.048 11.111 -0.545) 11.311 10.029 ( -4.104 -5.260 1.602) 6.861 10.468 ( 2.745 -5.760 -0.561) 6.405 11.227 ( -3.644 4.416 0.427) 5.741 11.468 ( 0.254 -6.725 0.070) 6.731 12.072 ( 2.404 -5.234 -0.883) 5.827 ======================= Grid point 1217 (438/670) ======================= q-point: (-0.26 0.32 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.249 ( -0.203 4.654 1.732) 4.970 5.402 ( -7.487 13.956 0.430) 15.843 6.793 ( 1.860 -2.420 0.087) 3.054 9.582 ( -5.161 10.690 -0.172) 11.872 9.933 ( -1.241 -4.199 0.764) 4.445 10.456 ( 2.891 -6.227 -0.665) 6.897 11.216 ( -3.305 4.999 0.419) 6.007 11.444 ( 3.285 -5.002 0.109) 5.985 12.073 ( 3.738 -4.700 -0.761) 6.053 ======================= Grid point 1218 (439/670) ======================= q-point: (-0.21 0.32 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.174 ( -11.098 -1.554 1.619) 11.322 5.377 ( -11.640 13.552 0.339) 17.868 6.741 ( -2.722 -6.729 -0.077) 7.259 9.558 ( -8.642 8.520 -0.291) 12.139 9.929 ( 3.528 -1.692 0.918) 4.019 10.442 ( 2.414 -5.370 -0.442) 5.904 11.216 ( -2.376 4.989 0.421) 5.542 11.480 ( 6.051 -3.402 0.089) 6.942 12.100 ( 4.675 -3.977 -0.796) 6.189 ======================= Grid point 1219 (440/670) ======================= q-point: (-0.16 0.32 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.864 ( -21.512 -5.736 0.781) 22.277 5.264 ( -18.072 13.543 0.361) 22.586 6.576 ( -6.486 -10.851 -0.528) 12.652 9.469 ( -9.884 5.905 -0.680) 11.534 9.990 ( 3.543 -0.694 1.751) 4.012 10.433 ( 1.930 -3.677 -0.058) 4.153 11.239 ( -0.638 4.635 0.413) 4.697 11.593 ( 10.535 -1.233 0.082) 10.607 12.144 ( 4.942 -3.166 -0.946) 5.945 ======================= Grid point 1229 (441/670) ======================= q-point: ( 0.37 0.37 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.238 ( -0.000 38.085 -2.964) 38.200 3.082 ( -0.000 31.226 1.357) 31.256 4.717 ( -0.000 48.325 -0.551) 48.328 8.799 ( -0.000 5.465 -0.920) 5.541 9.516 ( -0.000 16.634 1.182) 16.676 10.953 ( 0.000 -11.038 0.777) 11.065 11.385 ( 0.000 -4.126 0.336) 4.139 12.295 ( 0.000 0.902 -1.608) 1.843 13.090 ( 0.000 -21.752 0.649) 21.761 ======================= Grid point 1230 (442/670) ======================= q-point: ( 0.42 0.37 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.646 ( 5.065 38.977 -3.713) 39.480 3.491 ( 13.057 28.718 0.948) 31.561 5.185 ( 3.082 41.733 -0.836) 41.855 8.877 ( 3.091 5.680 -0.775) 6.513 9.693 ( 2.114 15.086 1.545) 15.312 10.822 ( -3.463 -9.782 0.948) 10.420 11.361 ( 1.753 -4.210 0.320) 4.572 12.286 ( -1.176 0.092 -1.527) 1.930 12.839 ( -4.551 -22.208 0.511) 22.675 ======================= Grid point 1231 (443/670) ======================= q-point: ( 0.47 0.37 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.130 ( 9.440 37.534 -3.789) 38.888 4.045 ( 19.854 26.379 0.625) 33.022 5.598 ( 3.596 31.941 -1.046) 32.160 9.005 ( 5.371 6.314 -0.736) 8.322 9.876 ( 3.164 12.004 1.972) 12.570 10.670 ( -4.401 -7.629 1.037) 8.869 11.357 ( 1.986 -3.659 0.344) 4.178 12.247 ( -2.346 -1.324 -1.366) 3.020 12.521 ( -7.949 -21.256 0.311) 22.696 ======================= Grid point 1232 (444/670) ======================= q-point: ( 0.53 0.37 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.656 ( 12.737 33.910 -3.222) 36.366 4.632 ( 19.409 24.666 0.383) 31.389 5.913 ( 4.031 20.826 -1.040) 21.238 9.169 ( 6.245 7.486 -0.773) 9.779 10.032 ( 3.030 7.571 2.333) 8.482 10.545 ( -3.334 -5.139 0.997) 6.207 11.353 ( 0.925 -2.554 0.364) 2.741 12.146 ( -7.302 -13.541 0.364) 15.388 12.208 ( -5.212 -8.294 -1.446) 9.902 ======================= Grid point 1233 (445/670) ======================= q-point: ( 0.58 0.37 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.181 ( 14.344 28.629 -2.195) 32.096 5.135 ( 12.179 22.290 0.092) 25.400 6.151 ( 6.868 11.604 -0.678) 13.502 9.347 ( 5.550 8.956 -0.810) 10.567 10.126 ( 1.470 2.187 2.507) 3.638 10.465 ( -1.562 -3.581 0.747) 3.977 11.340 ( -0.543 -0.876 0.358) 1.091 11.831 ( -9.243 -15.659 0.234) 18.184 12.113 ( -2.238 -3.883 -1.324) 4.673 ======================= Grid point 1234 (446/670) ======================= q-point: ( 0.63 0.37 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.662 ( 13.691 22.259 -0.940) 26.150 5.444 ( 2.298 16.344 -0.287) 16.508 6.391 ( 10.415 8.549 -0.024) 13.474 9.515 ( 3.509 10.076 -0.734) 10.695 10.132 ( -1.294 -2.688 2.374) 3.812 10.418 ( -0.163 -4.049 0.205) 4.058 11.324 ( -1.596 1.214 0.327) 2.032 11.567 ( -6.219 -11.383 0.021) 12.971 12.041 ( -0.880 -4.651 -0.997) 4.838 ======================= Grid point 1235 (447/670) ======================= q-point: ( 0.68 0.37 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.048 ( 10.228 15.268 0.239) 18.379 5.557 ( -2.230 9.512 -0.466) 9.781 6.640 ( 7.876 8.988 0.464) 11.959 9.648 ( 0.879 9.765 -0.355) 9.811 10.056 ( -3.806 -4.283 1.630) 5.957 10.376 ( 0.964 -5.772 -0.372) 5.863 11.314 ( -2.088 2.975 0.278) 3.645 11.407 ( -1.809 -7.947 0.045) 8.151 11.991 ( 0.783 -4.832 -0.720) 4.948 ======================= Grid point 1236 (448/670) ======================= q-point: ( 0.74 0.37 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.283 ( 3.565 8.182 0.926) 8.973 5.586 ( -2.524 6.262 -0.466) 6.767 6.798 ( 0.714 7.239 0.660) 7.304 9.729 ( -0.896 7.156 0.592) 7.236 9.954 ( -4.790 -1.486 0.203) 5.020 10.342 ( 2.500 -6.611 -0.558) 7.090 11.310 ( -2.351 3.530 0.258) 4.249 11.344 ( 1.839 -5.849 0.121) 6.132 11.972 ( 2.498 -4.420 -0.578) 5.110 ======================= Grid point 1237 (449/670) ======================= q-point: (-0.21 0.37 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.319 ( -5.639 1.965 0.837) 6.030 5.601 ( -3.003 6.375 -0.513) 7.066 6.797 ( -6.602 2.354 0.632) 7.038 9.758 ( -3.680 4.795 1.347) 6.193 9.887 ( -1.996 1.184 -0.574) 2.391 10.334 ( 3.712 -5.549 -0.368) 6.686 11.304 ( -2.588 3.675 0.336) 4.507 11.349 ( 4.776 -4.503 0.043) 6.564 11.986 ( 3.981 -3.645 -0.628) 5.434 ======================= Grid point 1238 (450/670) ======================= q-point: (-0.16 0.37 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.139 ( -15.542 -2.157 0.090) 15.691 5.591 ( -7.027 7.900 -0.654) 10.593 6.639 ( -10.864 -3.658 0.361) 11.469 9.688 ( -9.320 4.298 -0.186) 10.265 9.922 ( 3.912 0.471 1.501) 4.216 10.353 ( 3.546 -3.318 0.011) 4.856 11.300 ( -1.869 3.115 0.385) 3.653 11.420 ( 7.932 -2.535 -0.038) 8.328 12.029 ( 4.917 -2.641 -0.841) 5.645 ======================= Grid point 1249 (451/670) ======================= q-point: ( 0.42 0.42 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.978 ( -0.000 39.934 -4.412) 40.177 3.645 ( -0.000 26.257 0.609) 26.264 5.557 ( -0.000 38.688 -0.935) 38.700 8.901 ( -0.000 5.351 -0.511) 5.376 9.824 ( -0.000 13.983 1.691) 14.085 10.766 ( 0.000 -8.420 1.172) 8.501 11.300 ( 0.000 -4.790 0.223) 4.795 12.294 ( 0.000 -0.162 -1.383) 1.393 12.660 ( 0.000 -22.456 0.321) 22.458 ======================= Grid point 1250 (452/670) ======================= q-point: ( 0.47 0.42 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.381 ( 3.812 38.787 -4.605) 39.245 3.999 ( 12.844 23.266 0.291) 26.577 5.896 ( -0.770 32.011 -1.008) 32.036 8.981 ( 3.606 5.352 -0.363) 6.464 9.963 ( 1.028 11.321 1.939) 11.532 10.670 ( -3.010 -6.239 1.286) 7.046 11.275 ( 2.403 -4.693 0.203) 5.276 12.269 ( -1.873 -1.557 -1.035) 2.646 12.416 ( -3.836 -20.706 -0.064) 21.058 ======================= Grid point 1251 (453/670) ======================= q-point: ( 0.53 0.42 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.820 ( 6.856 35.528 -4.202) 36.426 4.497 ( 20.436 19.959 0.039) 28.565 6.133 ( -2.818 23.759 -0.931) 23.944 9.121 ( 6.561 5.918 -0.349) 8.843 10.078 ( 1.060 7.252 2.188) 7.649 10.566 ( -3.801 -3.738 1.231) 5.471 11.283 ( 3.250 -4.027 0.238) 5.180 12.112 ( -6.487 -18.022 0.414) 19.159 12.225 ( -3.590 -2.686 -1.528) 4.737 ======================= Grid point 1252 (454/670) ======================= q-point: ( 0.58 0.42 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.265 ( 9.069 30.468 -3.284) 31.958 5.029 ( 20.797 16.120 -0.186) 26.314 6.269 ( -3.096 16.495 -0.626) 16.795 9.307 ( 7.988 7.023 -0.440) 10.645 10.142 ( 0.128 2.115 2.339) 3.156 10.482 ( -3.324 -2.135 0.982) 4.070 11.303 ( 2.801 -2.689 0.266) 3.891 11.825 ( -7.841 -15.284 0.057) 17.178 12.133 ( -4.077 -2.531 -1.148) 4.934 ======================= Grid point 1253 (455/670) ======================= q-point: ( 0.63 0.42 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.685 ( 9.988 24.160 -2.053) 26.224 5.447 ( 12.321 10.045 -0.458) 15.904 6.393 ( 2.312 13.665 -0.091) 13.860 9.511 ( 7.317 8.163 -0.553) 10.976 10.134 ( -1.351 -2.763 2.293) 3.836 10.412 ( -2.833 -2.560 0.505) 3.851 11.325 ( 1.786 -0.738 0.252) 1.949 11.570 ( -7.034 -10.931 -0.122) 12.999 12.038 ( -3.495 -3.164 -0.825) 4.786 ======================= Grid point 1254 (456/670) ======================= q-point: ( 0.68 0.42 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.043 ( 8.960 17.207 -0.794) 19.416 5.617 ( 1.903 3.133 -0.584) 3.711 6.626 ( 7.918 14.252 0.344) 16.308 9.688 ( 4.185 7.576 -0.455) 8.668 10.071 ( -2.037 -4.161 1.777) 4.962 10.335 ( -2.250 -4.429 -0.045) 4.968 11.347 ( 0.278 0.523 0.106) 0.602 11.385 ( -4.136 -6.886 -0.010) 8.033 11.957 ( -1.876 -3.410 -0.528) 3.927 ======================= Grid point 1255 (457/670) ======================= q-point: ( 0.74 0.42 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.299 ( 5.324 10.235 0.110) 11.537 5.631 ( -0.444 0.203 -0.531) 0.721 6.869 ( 3.938 12.380 0.523) 13.002 9.769 ( 0.072 1.393 0.384) 1.447 10.028 ( -1.802 2.078 0.411) 2.781 10.260 ( -0.418 -5.565 -0.352) 5.591 11.271 ( -0.930 -5.781 -0.018) 5.855 11.370 ( -0.580 2.146 0.185) 2.230 11.910 ( 0.184 -3.124 -0.343) 3.148 ======================= Grid point 1256 (458/670) ======================= q-point: (-0.21 0.42 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.406 ( -1.121 4.079 0.263) 4.238 5.634 ( 0.969 0.362 -0.537) 1.166 6.963 ( -5.014 7.531 0.615) 9.069 9.760 ( 0.633 -2.404 1.037) 2.694 10.022 ( -4.883 6.105 -0.415) 7.828 10.226 ( 2.559 -4.524 -0.291) 5.206 11.237 ( 2.818 -4.342 0.034) 5.177 11.373 ( -1.651 2.146 0.180) 2.714 11.902 ( 2.165 -2.384 -0.358) 3.240 ======================= Grid point 1257 (459/670) ======================= q-point: (-0.16 0.42 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.338 ( -9.285 -0.073 -0.251) 9.289 5.664 ( 1.327 1.473 -0.838) 2.153 6.852 ( -13.144 1.701 0.643) 13.269 9.766 ( 1.460 -1.670 1.007) 2.436 9.970 ( -6.371 4.148 0.084) 7.603 10.256 ( 4.532 -1.967 0.020) 4.940 11.280 ( 5.896 -2.128 -0.070) 6.269 11.358 ( -2.112 1.349 0.268) 2.521 11.933 ( 3.768 -1.289 -0.581) 4.024 ======================= Grid point 1269 (460/670) ======================= q-point: ( 0.47 0.47 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.711 ( -0.000 37.932 -5.010) 38.261 4.100 ( -0.000 20.542 -0.018) 20.542 6.196 ( -0.000 27.834 -0.986) 27.851 8.997 ( -0.000 4.662 -0.083) 4.662 10.061 ( -0.000 8.994 2.000) 9.214 10.650 ( 0.000 -4.305 1.492) 4.556 11.206 ( 0.000 -4.825 0.066) 4.826 12.224 ( 0.000 -16.475 0.439) 16.481 12.295 ( 0.000 -4.535 -1.567) 4.799 ======================= Grid point 1270 (461/670) ======================= q-point: ( 0.53 0.47 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.074 ( 2.563 34.988 -4.869) 35.418 4.391 ( 12.378 17.257 -0.255) 21.238 6.409 ( -3.123 21.704 -0.860) 21.945 9.077 ( 4.293 4.507 0.045) 6.224 10.138 ( 0.062 5.262 2.073) 5.656 10.598 ( -2.681 -2.078 1.468) 3.696 11.187 ( 2.865 -4.413 0.043) 5.262 12.023 ( -3.282 -17.217 0.067) 17.527 12.254 ( -2.254 -1.324 -1.180) 2.868 ======================= Grid point 1271 (462/670) ======================= q-point: ( 0.58 0.47 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.437 ( 4.515 30.139 -4.178) 30.761 4.818 ( 19.715 13.387 -0.381) 23.833 6.509 ( -5.882 15.696 -0.611) 16.773 9.227 ( 7.960 4.988 0.004) 9.393 10.168 ( -0.718 0.597 2.082) 2.282 10.534 ( -3.859 -0.542 1.188) 4.074 11.210 ( 4.265 -3.418 0.095) 5.466 11.798 ( -5.530 -13.288 -0.169) 14.394 12.182 ( -4.137 -1.606 -0.855) 4.519 ======================= Grid point 1272 (463/670) ======================= q-point: ( 0.63 0.47 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.778 ( 5.971 23.882 -3.046) 24.805 5.261 ( 18.939 8.458 -0.407) 20.745 6.544 ( -4.372 12.134 -0.317) 12.901 9.431 ( 9.809 5.872 -0.192) 11.434 10.136 ( -1.872 -3.821 1.966) 4.687 10.462 ( -4.571 -0.726 0.741) 4.687 11.259 ( 4.379 -1.833 0.125) 4.749 11.588 ( -6.480 -8.890 -0.277) 11.004 12.085 ( -4.978 -1.884 -0.543) 5.350 ======================= Grid point 1273 (464/670) ======================= q-point: ( 0.68 0.47 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.076 ( 6.524 16.872 -1.735) 18.173 5.555 ( 8.816 2.571 -0.283) 9.188 6.648 ( 4.026 11.664 -0.137) 12.340 9.649 ( 8.419 6.229 -0.507) 10.485 10.056 ( -1.797 -5.938 1.693) 6.431 10.367 ( -5.153 -2.222 0.299) 5.620 11.317 ( 3.491 -0.242 0.082) 3.500 11.411 ( -6.113 -5.496 -0.225) 8.223 11.985 ( -4.403 -1.883 -0.262) 4.796 ======================= Grid point 1274 (465/670) ======================= q-point: ( 0.74 0.47 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.305 ( 5.468 9.872 -0.591) 11.301 5.627 ( 0.572 -0.454 -0.113) 0.738 6.875 ( 8.410 9.838 -0.067) 12.943 9.776 ( 0.717 1.356 -0.449) 1.599 10.024 ( 3.187 -0.981 0.964) 3.471 10.257 ( -4.378 -3.245 0.017) 5.449 11.272 ( -4.642 -3.659 -0.124) 5.912 11.371 ( 2.069 0.621 0.049) 2.161 11.907 ( -2.640 -1.518 -0.070) 3.046 ======================= Grid point 1275 (466/670) ======================= q-point: ( 0.79 0.47 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.436 ( 2.135 3.777 -0.019) 4.338 5.619 ( -0.031 -0.249 -0.087) 0.266 7.052 ( 2.731 4.993 0.064) 5.692 9.744 ( -1.473 -2.140 0.058) 2.598 10.096 ( 1.577 2.561 0.144) 3.011 10.180 ( -1.108 -2.045 -0.122) 2.329 11.189 ( -1.339 -2.297 -0.010) 2.659 11.398 ( 0.330 0.638 0.022) 0.718 11.870 ( -0.374 -0.786 -0.038) 0.871 ======================= Grid point 1276 (467/670) ======================= q-point: (-0.16 0.47 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.442 ( -3.392 -0.307 -0.177) 3.410 5.637 ( 1.773 0.709 -0.298) 1.933 7.039 ( -6.783 -0.736 0.265) 6.828 9.723 ( 1.050 -1.183 0.437) 1.641 10.093 ( -3.907 0.528 0.002) 3.943 10.183 ( 2.590 0.371 -0.008) 2.616 11.191 ( 2.939 -0.045 -0.041) 2.940 11.393 ( -1.207 -0.181 0.104) 1.225 11.880 ( 1.789 0.326 -0.208) 1.830 ======================= Grid point 1289 (468/670) ======================= q-point: ( 0.53 0.53 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.368 ( -0.000 32.340 -4.992) 32.723 4.438 ( -0.000 14.474 -0.563) 14.485 6.627 ( -0.000 17.432 -0.689) 17.446 9.078 ( -0.000 3.575 0.321) 3.590 10.180 ( -0.000 2.011 1.936) 2.791 10.615 ( -0.000 -0.419 1.548) 1.604 11.118 ( 0.000 -4.119 -0.133) 4.121 11.896 ( 0.000 -14.193 -0.187) 14.195 12.259 ( 0.000 -1.083 -0.833) 1.366 ======================= Grid point 1290 (469/670) ======================= q-point: ( 0.58 0.53 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.649 ( 5.349 20.351 -3.236) 21.290 4.673 ( 7.855 18.480 -2.066) 20.186 6.735 ( -4.234 12.684 -0.429) 13.379 9.154 ( 5.070 3.311 0.412) 6.070 10.182 ( -0.736 -1.718 1.714) 2.536 10.597 ( -2.750 0.673 1.295) 3.114 11.110 ( 3.296 -3.330 -0.150) 4.688 11.753 ( -2.759 -10.167 -0.323) 10.540 12.226 ( -2.557 -1.059 -0.484) 2.809 ======================= Grid point 1291 (470/670) ======================= q-point: ( 0.63 0.53 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.916 ( 3.268 20.595 -3.660) 21.172 5.018 ( 17.686 8.196 -0.683) 19.505 6.742 ( -6.482 8.866 -0.197) 10.985 9.312 ( 9.380 3.625 0.290) 10.061 10.131 ( -1.961 -4.799 1.369) 5.361 10.544 ( -4.667 0.520 0.854) 4.772 11.157 ( 5.159 -2.062 -0.097) 5.556 11.609 ( -4.759 -6.189 -0.337) 7.815 12.153 ( -4.627 -0.995 -0.152) 4.736 ======================= Grid point 1292 (471/670) ======================= q-point: ( 0.68 0.53 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.135 ( 3.877 14.021 -2.439) 14.751 5.371 ( 16.061 3.602 -0.356) 16.464 6.727 ( -2.857 6.663 -0.185) 7.252 9.528 ( 11.430 4.092 -0.063) 12.140 10.038 ( -2.823 -6.246 0.976) 6.923 10.454 ( -6.198 -0.502 0.486) 6.238 11.234 ( 5.475 -0.810 -0.101) 5.535 11.473 ( -6.005 -3.226 -0.259) 6.822 12.058 ( -5.513 -0.732 0.120) 5.562 ======================= Grid point 1293 (472/670) ======================= q-point: ( 0.74 0.53 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.302 ( 4.429 6.980 -1.167) 8.349 5.581 ( 6.274 0.801 0.150) 6.327 6.808 ( 6.139 4.347 -0.430) 7.535 9.742 ( 7.609 3.686 -0.910) 8.504 9.947 ( 0.308 -5.498 1.021) 5.600 10.335 ( -6.846 -1.074 0.271) 6.935 11.314 ( 4.057 -0.147 -0.161) 4.063 11.346 ( -5.965 -1.417 -0.124) 6.132 11.964 ( -4.894 -0.203 0.285) 4.906 ======================= Grid point 1294 (473/670) ======================= q-point: (-0.21 -0.47 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.408 ( 3.835 0.915 -0.212) 3.948 5.630 ( -0.068 0.896 0.415) 0.990 6.968 ( 8.885 -0.506 -0.508) 8.914 9.768 ( -2.810 -0.480 -0.948) 3.004 10.018 ( 8.086 -1.155 0.515) 8.184 10.224 ( -5.138 0.019 0.143) 5.140 11.238 ( -5.201 0.237 -0.033) 5.206 11.374 ( 2.633 -0.312 -0.152) 2.656 11.899 ( -3.037 0.589 0.318) 3.110 ======================= Grid point 1309 (474/670) ======================= q-point: ( 0.58 0.58 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.655 ( -0.000 8.447 -1.040) 8.511 4.884 ( -0.000 23.070 -4.439) 23.493 6.878 ( -0.000 9.195 -0.127) 9.196 9.137 ( -0.000 2.262 0.676) 2.361 10.166 ( 0.000 -3.832 1.227) 4.023 10.635 ( -0.000 1.192 1.185) 1.681 11.049 ( 0.000 -2.768 -0.349) 2.790 11.694 ( 0.000 -6.685 -0.355) 6.694 12.239 ( 0.000 -0.669 -0.086) 0.675 ======================= Grid point 1310 (475/670) ======================= q-point: ( 0.63 0.58 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.816 ( 11.101 5.391 -1.161) 12.395 5.072 ( 0.774 16.648 -3.773) 17.088 6.911 ( -4.579 5.945 0.152) 7.506 9.208 ( 5.801 1.867 0.722) 6.137 10.115 ( -1.294 -4.906 0.640) 5.114 10.621 ( -3.147 0.759 0.823) 3.340 11.059 ( 3.756 -1.761 -0.365) 4.165 11.622 ( -2.450 -3.601 -0.291) 4.365 12.211 ( -2.761 -0.304 0.280) 2.792 ======================= Grid point 1311 (476/670) ======================= q-point: ( 0.68 0.58 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.094 ( 16.377 2.698 -1.071) 16.633 5.211 ( 2.531 8.916 -2.614) 9.630 6.858 ( -6.342 3.233 0.227) 7.122 9.366 ( 10.534 1.674 0.539) 10.680 10.035 ( -2.733 -4.540 0.036) 5.299 10.553 ( -5.384 -0.118 0.496) 5.408 11.129 ( 5.740 -0.777 -0.347) 5.803 11.540 ( -4.488 -1.332 -0.192) 4.686 12.146 ( -4.905 0.145 0.552) 4.939 ======================= Grid point 1312 (477/670) ======================= q-point: (-0.26 -0.42 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.278 ( 3.515 1.807 -1.600) 4.264 5.408 ( 14.678 0.419 -0.289) 14.687 6.794 ( -2.358 0.316 -0.070) 2.380 9.580 ( 12.667 0.860 0.129) 12.697 9.943 ( -3.599 -2.836 -0.377) 4.597 10.447 ( -6.772 -0.458 0.320) 6.795 11.222 ( 5.866 -0.295 -0.357) 5.884 11.446 ( -5.989 0.277 -0.100) 5.996 12.060 ( -5.757 0.750 0.687) 5.847 ======================= Grid point 1313 (478/670) ======================= q-point: (-0.21 -0.42 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.325 ( 4.135 -4.141 -0.570) 5.880 5.596 ( 6.768 0.485 0.547) 6.808 6.802 ( 5.531 -4.585 -0.571) 7.206 9.768 ( 7.140 -1.281 -0.994) 7.322 9.883 ( 0.914 -0.414 0.135) 1.012 10.332 ( -6.606 0.558 0.187) 6.632 11.307 ( 4.454 -0.371 -0.352) 4.483 11.350 ( -6.341 1.845 0.000) 6.604 11.980 ( -5.044 1.535 0.683) 5.316 ======================= Grid point 1329 (479/670) ======================= q-point: ( 0.63 0.63 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.755 ( 0.000 2.668 -1.439) 3.031 5.188 ( -0.000 10.108 -3.522) 10.704 6.997 ( -0.000 3.315 0.516) 3.355 9.172 ( -0.000 0.846 0.968) 1.286 10.083 ( 0.000 -4.003 -0.100) 4.004 10.656 ( -0.000 0.092 0.647) 0.653 11.010 ( 0.000 -1.006 -0.539) 1.141 11.618 ( 0.000 -1.449 -0.192) 1.462 12.236 ( -0.000 0.270 0.665) 0.717 ======================= Grid point 1330 (480/670) ======================= q-point: (-0.32 -0.37 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.859 ( 11.069 -0.108 -1.444) 11.163 5.243 ( 0.378 2.508 -2.860) 3.823 6.977 ( -4.728 0.785 0.717) 4.846 9.233 ( 6.186 0.185 0.977) 6.265 10.038 ( -1.575 -2.253 -0.766) 2.854 10.624 ( -3.270 -0.852 0.407) 3.404 11.038 ( 3.919 -0.128 -0.556) 3.960 11.592 ( -2.369 0.281 -0.106) 2.388 12.219 ( -2.852 0.791 0.927) 3.102 ======================= Grid point 1331 (481/670) ======================= q-point: (-0.26 -0.37 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.090 ( 17.111 -2.429 -1.126) 17.319 5.240 ( 2.098 -4.786 -1.890) 5.557 6.873 ( -6.720 -1.974 0.619) 7.031 9.377 ( 10.713 -0.996 0.790) 10.788 9.985 ( -2.948 0.069 -1.259) 3.206 10.542 ( -5.179 -1.190 0.272) 5.320 11.122 ( 5.677 0.365 -0.532) 5.714 11.544 ( -4.487 1.821 -0.057) 4.843 12.165 ( -4.966 1.344 1.027) 5.246 ======================= Grid point 1332 (482/670) ======================= q-point: (-0.21 -0.37 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.185 ( 3.775 -10.634 -1.107) 11.339 5.379 ( 17.081 -3.337 -0.154) 17.404 6.740 ( -4.106 -5.870 0.174) 7.165 9.555 ( 12.001 -3.385 0.483) 12.479 9.939 ( -3.411 2.550 -1.490) 4.512 10.440 ( -5.812 -0.469 0.172) 5.833 11.220 ( 5.459 0.438 -0.469) 5.496 11.481 ( -5.989 3.526 -0.026) 6.950 12.092 ( -5.698 2.008 0.976) 6.120 ======================= Grid point 1349 (483/670) ======================= q-point: (-0.32 -0.32 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.743 ( 0.000 -2.963 -1.740) 3.436 5.220 ( 0.000 -5.140 -2.667) 5.790 7.018 ( -0.000 -1.717 1.049) 2.012 9.181 ( -0.000 -0.600 1.184) 1.327 10.037 ( 0.000 -0.106 -1.353) 1.358 10.640 ( 0.000 -1.905 0.306) 1.930 11.005 ( 0.000 0.908 -0.654) 1.119 11.623 ( -0.000 1.934 -0.054) 1.934 12.256 ( -0.000 1.239 1.160) 1.697 ======================= Grid point 1350 (484/670) ======================= q-point: (-0.26 -0.32 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.795 ( 11.487 -5.608 -1.669) 12.892 5.131 ( 0.675 -12.395 -2.213) 12.610 6.948 ( -4.868 -4.562 1.120) 6.765 9.225 ( 5.894 -1.557 1.160) 6.205 10.028 ( -1.456 1.566 -1.701) 2.732 10.594 ( -2.860 -2.213 0.242) 3.625 11.049 ( 3.598 1.615 -0.637) 3.995 11.630 ( -2.448 3.853 -0.054) 4.565 12.249 ( -2.810 1.603 1.219) 3.457 ======================= Grid point 1351 (485/670) ======================= q-point: (-0.21 -0.32 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.967 ( 10.852 -12.562 -1.733) 16.690 5.027 ( 10.972 -13.134 -1.016) 17.144 6.785 ( -7.369 -7.760 0.918) 10.741 9.340 ( 9.590 -3.275 0.957) 10.179 10.010 ( -2.353 2.544 -1.804) 3.907 10.514 ( -4.254 -1.610 0.188) 4.552 11.140 ( 5.035 1.938 -0.543) 5.423 11.617 ( -4.719 6.108 -0.083) 7.719 12.205 ( -4.765 2.028 1.125) 5.299 ======================= Grid point 1369 (486/670) ======================= q-point: (-0.26 -0.26 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.620 ( 0.000 -8.714 -1.924) 8.924 4.964 ( 0.000 -19.451 -2.312) 19.588 6.934 ( 0.000 -8.031 1.316) 8.138 9.162 ( -0.000 -2.019 1.315) 2.409 10.051 ( 0.000 1.723 -1.837) 2.519 10.596 ( 0.000 -2.372 0.278) 2.388 11.037 ( -0.000 2.718 -0.670) 2.799 11.700 ( -0.000 6.561 -0.102) 6.561 12.293 ( -0.000 1.674 1.238) 2.083 ======================= Grid point 1370 (487/670) ======================= q-point: (-0.21 -0.26 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.620 ( 11.896 -11.652 -1.842) 16.753 4.754 ( 1.905 -24.676 -2.066) 24.836 6.800 ( -4.627 -11.846 1.248) 12.779 9.187 ( 5.109 -3.057 1.251) 6.084 10.050 ( -0.967 0.819 -1.743) 2.155 10.556 ( -2.486 -1.485 0.290) 2.910 11.094 ( 3.163 3.320 -0.593) 4.624 11.756 ( -2.731 9.664 -0.170) 10.044 12.290 ( -2.620 1.765 1.110) 3.348 ======================= Grid point 1389 (488/670) ======================= q-point: (-0.21 -0.21 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.382 ( 0.000 -14.723 -1.984) 14.856 4.463 ( 0.000 -30.269 -2.488) 30.371 6.703 ( 0.000 -17.027 1.260) 17.073 9.118 ( -0.000 -3.340 1.354) 3.605 10.048 ( 0.000 -1.854 -1.491) 2.379 10.571 ( -0.000 -0.009 0.415) 0.415 11.101 ( -0.000 4.135 -0.595) 4.178 11.891 ( -0.000 13.456 -0.247) 13.458 12.330 ( -0.000 1.480 0.956) 1.762 ======================= Grid point 1530 (489/670) ======================= q-point: ( 0.21 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 670 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.480 ( -0.000 0.000 12.644) 12.644 0.480 ( -0.000 0.000 12.644) 12.644 0.671 ( -0.000 0.000 16.802) 16.802 8.567 ( 0.000 -0.000 -1.343) 1.343 8.567 ( 0.000 -0.000 -1.343) 1.343 11.534 ( -0.000 0.000 0.438) 0.438 11.534 ( -0.000 0.000 0.438) 0.438 12.206 ( 0.000 -0.000 -1.288) 1.288 14.087 ( -0.000 0.000 0.701) 0.701 ======================= Grid point 1531 (490/670) ======================= q-point: ( 0.26 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.742 ( 5.138 2.967 13.073) 14.356 0.924 ( 29.677 17.134 6.519) 34.883 1.418 ( 52.461 30.288 4.136) 60.717 8.592 ( 2.182 1.260 -1.340) 2.854 8.639 ( 6.850 3.955 -1.107) 7.986 11.510 ( -3.318 -1.916 -0.352) 3.848 11.525 ( -0.895 -0.517 0.446) 1.125 12.212 ( 1.108 0.640 -1.445) 1.930 14.002 ( -7.094 -4.096 1.363) 8.304 ======================= Grid point 1532 (491/670) ======================= q-point: ( 0.32 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.985 ( 15.060 8.695 5.852) 18.348 1.642 ( 32.049 18.504 3.679) 37.190 2.612 ( 52.492 30.306 1.311) 60.626 8.655 ( 3.668 2.117 -1.361) 4.448 8.853 ( 12.047 6.956 -0.284) 13.914 11.381 ( -7.686 -4.437 -0.001) 8.875 11.496 ( -1.811 -1.045 0.448) 2.138 12.243 ( 1.808 1.044 -1.693) 2.688 13.790 ( -12.039 -6.951 1.197) 13.953 ======================= Grid point 1533 (492/670) ======================= q-point: ( 0.37 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.451 ( 25.373 14.649 0.555) 29.304 2.352 ( 30.298 17.493 2.636) 35.085 3.744 ( 48.202 27.829 -0.093) 55.658 8.744 ( 4.608 2.660 -1.393) 5.500 9.157 ( 14.654 8.461 0.656) 16.934 11.186 ( -9.472 -5.469 0.334) 10.942 11.446 ( -2.792 -1.612 0.450) 3.255 12.276 ( 1.497 0.864 -1.716) 2.436 13.475 ( -16.237 -9.374 0.929) 18.772 ======================= Grid point 1534 (493/670) ======================= q-point: ( 0.42 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.093 ( 31.494 18.183 -1.552) 36.399 3.001 ( 27.021 15.601 2.187) 31.278 4.750 ( 41.659 24.052 -0.989) 48.114 8.848 ( 4.936 2.850 -1.414) 5.872 9.492 ( 14.704 8.489 1.476) 17.042 10.976 ( -9.098 -5.253 0.538) 10.519 11.374 ( -3.703 -2.138 0.459) 4.301 12.297 ( 0.797 0.460 -1.672) 1.908 13.081 ( -18.998 -10.968 0.764) 21.950 ======================= Grid point 1535 (494/670) ======================= q-point: ( 0.47 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.821 ( 33.476 19.328 -1.806) 38.697 3.565 ( 22.756 13.138 1.996) 26.352 5.588 ( 33.327 19.241 -1.536) 38.513 8.953 ( 4.704 2.716 -1.408) 5.611 9.805 ( 12.486 7.209 2.082) 14.567 10.796 ( -6.830 -3.943 0.657) 7.914 11.285 ( -4.308 -2.487 0.482) 4.998 12.301 ( -0.044 -0.025 -1.595) 1.596 12.647 ( -19.579 -11.304 0.610) 22.616 ======================= Grid point 1536 (495/670) ======================= q-point: ( 0.53 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.555 ( 32.023 18.489 -1.110) 36.994 4.025 ( 17.823 10.290 1.919) 20.669 6.224 ( 23.970 13.839 -1.748) 27.734 9.047 ( 4.037 2.331 -1.373) 4.860 10.045 ( 8.067 4.657 2.449) 9.631 10.683 ( -3.339 -1.928 0.640) 3.908 11.189 ( -4.360 -2.517 0.524) 5.062 12.212 ( -15.731 -9.082 0.448) 18.170 12.305 ( -2.319 -1.339 -1.569) 3.103 ======================= Grid point 1537 (496/670) ======================= q-point: ( 0.58 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.224 ( 27.506 15.881 0.127) 31.762 4.370 ( 12.565 7.255 1.880) 14.630 6.653 ( 15.055 8.692 -1.645) 17.462 9.123 ( 3.080 1.779 -1.321) 3.794 10.165 ( 1.765 1.019 2.561) 3.273 10.648 ( -0.148 -0.086 0.354) 0.393 11.098 ( -3.737 -2.158 0.586) 4.355 11.882 ( -12.187 -7.036 0.227) 14.075 12.280 ( -0.686 -0.396 -1.521) 1.715 ======================= Grid point 1538 (497/670) ======================= q-point: ( 0.63 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.597 ( 7.327 4.230 1.852) 8.660 4.762 ( 19.882 11.479 1.627) 23.015 6.902 ( 8.024 4.632 -1.353) 9.363 9.176 ( 1.955 1.129 -1.274) 2.592 10.145 ( -3.505 -2.023 2.290) 4.650 10.663 ( 0.996 0.575 -0.219) 1.171 11.029 ( -2.513 -1.451 0.654) 2.974 11.685 ( -5.610 -3.239 0.038) 6.479 12.264 ( -0.332 -0.192 -1.318) 1.373 ======================= Grid point 1539 (498/670) ======================= q-point: ( 0.68 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.709 ( 2.298 1.327 1.839) 3.229 5.098 ( 9.024 5.210 2.977) 10.836 7.019 ( 2.990 1.726 -1.060) 3.612 9.203 ( 0.745 0.430 -1.249) 1.517 10.060 ( -3.758 -2.169 1.634) 4.637 10.675 ( -0.071 -0.041 -0.724) 0.729 10.993 ( -0.912 -0.527 0.704) 1.267 11.615 ( -1.150 -0.664 0.054) 1.329 12.261 ( 0.393 0.227 -1.104) 1.194 ======================= Grid point 1540 (499/670) ======================= q-point: (-0.26 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.711 ( -2.589 -1.495 1.858) 3.520 5.165 ( -4.064 -2.346 3.639) 5.938 7.035 ( -1.368 -0.790 -0.917) 1.827 9.202 ( -0.500 -0.289 -1.258) 1.384 10.015 ( -0.334 -0.193 1.134) 1.198 10.651 ( -1.783 -1.029 -0.892) 2.243 10.993 ( 0.801 0.462 0.712) 1.167 11.621 ( 1.683 0.972 0.110) 1.946 12.275 ( 1.118 0.646 -0.964) 1.611 ======================= Grid point 1541 (500/670) ======================= q-point: (-0.21 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.604 ( -7.564 -4.367 1.913) 8.941 4.940 ( -16.613 -9.591 3.376) 19.478 6.944 ( -6.891 -3.979 -1.007) 8.020 9.173 ( -1.735 -1.002 -1.297) 2.387 10.038 ( 1.414 0.817 1.164) 2.006 10.601 ( -2.122 -1.225 -0.733) 2.557 11.031 ( 2.379 1.374 0.670) 2.828 11.699 ( 5.649 3.261 0.162) 6.525 12.302 ( 1.437 0.829 -0.931) 1.902 ======================= Grid point 1550 (501/670) ======================= q-point: ( 0.26 0.26 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.788 ( -0.000 6.758 12.295) 14.030 1.006 ( -0.000 34.593 6.340) 35.170 1.388 ( -0.000 59.514 4.262) 59.666 8.572 ( 0.000 1.741 -1.423) 2.249 8.651 ( -0.000 8.684 -1.102) 8.754 11.506 ( 0.000 -4.056 -0.249) 4.064 11.529 ( -0.000 -0.912 0.461) 1.022 12.208 ( 0.000 1.261 -1.431) 1.907 14.005 ( 0.000 -8.118 1.285) 8.219 ======================= Grid point 1551 (502/670) ======================= q-point: ( 0.32 0.26 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.947 ( 5.373 12.913 7.382) 15.814 1.513 ( 16.341 34.726 4.130) 38.601 2.270 ( 31.752 51.013 1.867) 60.117 8.617 ( 2.833 2.552 -1.395) 4.059 8.794 ( 5.532 11.636 -0.557) 12.896 11.418 ( -3.877 -7.239 -0.057) 8.212 11.513 ( -0.829 -1.103 0.441) 1.449 12.227 ( 0.935 1.689 -1.609) 2.513 13.863 ( -6.253 -10.745 1.222) 12.492 ======================= Grid point 1552 (503/670) ======================= q-point: ( 0.37 0.26 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.288 ( 14.840 20.246 2.021) 25.184 2.172 ( 21.291 31.882 2.901) 38.447 3.323 ( 38.942 40.566 0.307) 56.233 8.700 ( 3.908 3.543 -1.418) 5.462 9.047 ( 10.240 12.539 0.319) 16.192 11.248 ( -6.554 -8.979 0.241) 11.119 11.481 ( -2.067 -0.941 0.449) 2.315 12.256 ( 1.234 1.177 -1.666) 2.384 13.602 ( -11.312 -12.972 0.977) 17.239 ======================= Grid point 1553 (504/670) ======================= q-point: ( 0.42 0.26 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.833 ( 23.381 24.362 -0.784) 33.775 2.831 ( 20.602 29.266 2.320) 35.866 4.328 ( 38.716 31.556 -0.692) 49.952 8.804 ( 4.253 4.397 -1.450) 6.287 9.362 ( 12.480 11.791 1.156) 17.208 11.042 ( -7.229 -9.192 0.432) 11.702 11.428 ( -3.496 -0.681 0.456) 3.591 12.278 ( 1.052 0.173 -1.613) 1.934 13.247 ( -15.137 -14.534 0.788) 21.000 ======================= Grid point 1554 (505/670) ======================= q-point: ( 0.47 0.26 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.510 ( 28.315 25.214 -1.440) 37.942 3.429 ( 17.527 26.538 2.045) 31.869 5.209 ( 34.601 23.141 -1.309) 41.647 8.915 ( 3.987 4.997 -1.454) 6.557 9.682 ( 12.233 9.832 1.782) 15.795 10.845 ( -5.979 -8.080 0.535) 10.066 11.354 ( -4.789 -0.407 0.466) 4.829 12.285 ( 0.698 -0.925 -1.527) 1.917 12.831 ( -17.203 -15.036 0.658) 22.857 ======================= Grid point 1555 (506/670) ======================= q-point: ( 0.53 0.26 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.235 ( 29.620 23.758 -0.958) 37.983 3.936 ( 13.251 23.419 1.913) 26.976 5.916 ( 27.999 15.111 -1.587) 31.856 9.022 ( 3.185 5.384 -1.419) 6.414 9.956 ( 9.647 6.835 2.153) 12.017 10.700 ( -3.188 -5.930 0.533) 6.754 11.265 ( -5.567 -0.074 0.489) 5.589 12.273 ( -0.366 -2.404 -1.216) 2.718 12.404 ( -16.125 -13.594 0.291) 21.092 ======================= Grid point 1556 (507/670) ======================= q-point: ( 0.58 0.26 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.934 ( 27.663 20.557 0.097) 34.465 4.333 ( 8.427 19.926 1.841) 21.713 6.428 ( 20.319 7.968 -1.550) 21.880 9.115 ( 1.975 5.613 -1.353) 6.102 10.133 ( 4.735 2.790 2.282) 5.951 10.630 ( 0.077 -3.577 0.339) 3.593 11.173 ( -5.570 0.467 0.532) 5.614 12.010 ( -13.374 -11.423 0.430) 17.594 12.264 ( 0.244 -2.519 -1.480) 2.931 ======================= Grid point 1557 (508/670) ======================= q-point: ( 0.63 0.26 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.538 ( 22.126 15.687 1.337) 27.155 4.615 ( 3.936 16.433 1.862) 17.001 6.752 ( 13.219 2.504 -1.299) 13.517 9.188 ( 0.502 5.720 -1.274) 5.881 10.174 ( -1.199 -1.548 2.162) 2.916 10.625 ( 2.152 -2.289 -0.123) 3.144 11.096 ( -4.811 1.363 0.592) 5.035 11.742 ( -7.341 -7.380 0.162) 10.410 12.242 ( 0.673 -2.665 -1.296) 3.038 ======================= Grid point 1558 (509/670) ======================= q-point: ( 0.68 0.26 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.776 ( -1.110 12.742 1.679) 12.900 4.982 ( 13.904 9.719 2.704) 17.178 6.927 ( 7.676 -1.148 -1.019) 7.828 9.234 ( -1.121 5.671 -1.201) 5.904 10.101 ( -3.933 -3.712 1.703) 5.670 10.640 ( 2.154 -2.562 -0.599) 3.400 11.045 ( -3.591 2.497 0.642) 4.421 11.617 ( -1.756 -3.840 0.087) 4.223 12.231 ( 1.398 -2.491 -1.128) 3.071 ======================= Grid point 1559 (510/670) ======================= q-point: (-0.26 0.26 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.832 ( -5.839 9.844 1.689) 11.569 5.188 ( 2.206 2.188 3.336) 4.558 6.991 ( 3.290 -3.804 -0.875) 5.105 9.252 ( -2.790 5.255 -1.161) 6.061 10.020 ( -1.545 -2.641 1.251) 3.305 10.634 ( 0.766 -3.395 -0.769) 3.564 11.027 ( -2.150 3.406 0.661) 4.081 11.590 ( 1.489 -1.883 0.098) 2.403 12.236 ( 2.271 -2.067 -1.030) 3.239 ======================= Grid point 1560 (511/670) ======================= q-point: (-0.21 0.26 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.781 ( -10.717 7.286 1.732) 13.074 5.109 ( -10.891 -5.260 3.075) 12.480 6.957 ( -1.372 -6.535 -0.961) 6.746 9.235 ( -4.217 4.243 -1.183) 6.098 10.015 ( 1.904 -0.556 1.303) 2.374 10.598 ( -0.559 -3.654 -0.621) 3.748 11.043 ( -0.410 3.967 0.648) 4.041 11.629 ( 4.552 -0.198 0.110) 4.558 12.259 ( 2.834 -1.647 -1.037) 3.438 ======================= Grid point 1570 (512/670) ======================= q-point: ( 0.32 0.32 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.072 ( -0.000 18.408 4.952) 19.062 1.735 ( -0.000 36.773 3.291) 36.919 2.578 ( -0.000 60.232 1.559) 60.252 8.617 ( -0.000 3.621 -1.273) 3.838 8.876 ( -0.000 14.469 -0.426) 14.475 11.374 ( 0.000 -9.084 0.081) 9.084 11.503 ( 0.000 -1.977 0.430) 2.023 12.234 ( 0.000 2.096 -1.609) 2.642 13.798 ( 0.000 -13.876 1.111) 13.920 ======================= Grid point 1571 (513/670) ======================= q-point: ( 0.37 0.32 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.341 ( 6.271 25.214 1.337) 26.017 2.220 ( 13.579 35.530 2.408) 38.112 3.302 ( 17.440 53.273 0.578) 56.058 8.677 ( 2.697 4.319 -1.194) 5.230 9.062 ( 4.582 15.701 0.135) 16.357 11.243 ( -3.998 -10.499 0.306) 11.238 11.485 ( -0.040 -2.130 0.408) 2.169 12.253 ( 0.331 1.704 -1.606) 2.365 13.606 ( -5.695 -16.195 0.919) 17.192 ======================= Grid point 1572 (514/670) ======================= q-point: ( 0.42 0.32 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.780 ( 14.049 29.807 -1.075) 32.970 2.837 ( 17.804 34.187 1.908) 38.593 4.131 ( 25.193 41.910 -0.354) 48.901 8.777 ( 4.028 5.132 -1.215) 6.636 9.321 ( 8.025 14.946 0.873) 16.987 11.054 ( -5.864 -10.877 0.472) 12.366 11.459 ( -1.072 -1.620 0.413) 1.986 12.265 ( 0.252 0.542 -1.547) 1.658 13.307 ( -10.371 -17.735 0.742) 20.558 ======================= Grid point 1573 (515/670) ======================= q-point: ( 0.47 0.32 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.365 ( 20.561 30.853 -1.783) 37.119 3.458 ( 16.114 33.089 1.674) 36.843 4.924 ( 27.537 29.935 -1.014) 40.687 8.898 ( 4.228 6.115 -1.264) 7.541 9.609 ( 9.601 12.592 1.513) 15.907 10.854 ( -5.620 -9.992 0.563) 11.478 11.417 ( -2.726 -0.816 0.418) 2.876 12.262 ( 0.148 -0.996 -1.450) 1.765 12.931 ( -13.612 -18.283 0.618) 22.802 ======================= Grid point 1574 (516/670) ======================= q-point: ( 0.53 0.32 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.033 ( 24.277 29.114 -1.367) 37.932 4.011 ( 11.725 31.378 1.551) 33.533 5.609 ( 26.072 18.660 -1.339) 32.089 9.025 ( 3.585 7.130 -1.277) 8.082 9.879 ( 9.010 9.129 1.913) 12.968 10.689 ( -3.614 -7.949 0.561) 8.750 11.355 ( -4.356 0.048 0.416) 4.376 12.243 ( 0.099 -2.610 -1.266) 2.903 12.516 ( -14.776 -17.473 0.443) 22.887 ======================= Grid point 1575 (517/670) ======================= q-point: ( 0.58 0.32 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.712 ( 24.899 25.461 -0.371) 35.614 4.458 ( 6.425 28.493 1.452) 29.245 6.143 ( 21.959 9.174 -1.323) 23.835 9.146 ( 2.312 8.074 -1.231) 8.489 10.083 ( 6.057 4.736 2.049) 7.957 10.589 ( -0.643 -5.476 0.403) 5.529 11.278 ( -5.339 0.977 0.420) 5.444 12.106 ( -12.814 -14.783 0.595) 19.573 12.224 ( -0.187 -4.197 -1.446) 4.443 ======================= Grid point 1576 (518/670) ======================= q-point: ( 0.63 0.32 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.336 ( 22.392 20.382 0.854) 30.291 4.783 ( 1.327 24.546 1.356) 24.619 6.518 ( 16.561 2.465 -1.051) 16.776 9.249 ( 0.614 8.869 -1.132) 8.962 10.171 ( 1.002 -0.280 1.961) 2.220 10.558 ( 1.877 -3.903 0.004) 4.331 11.204 ( -5.339 2.154 0.447) 5.774 11.788 ( -8.856 -11.365 0.276) 14.411 12.189 ( 0.947 -4.346 -1.175) 4.601 ======================= Grid point 1577 (519/670) ======================= q-point: ( 0.68 0.32 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.838 ( 16.171 14.141 1.922) 21.568 4.990 ( -2.648 20.270 1.347) 20.487 6.749 ( 11.121 -1.522 -0.719) 11.248 9.329 ( -1.344 9.442 -0.989) 9.589 10.128 ( -3.372 -4.132 1.600) 5.568 10.562 ( 2.840 -4.014 -0.489) 4.942 11.149 ( -4.592 3.556 0.491) 5.828 11.602 ( -2.911 -7.126 0.150) 7.699 12.165 ( 1.768 -4.487 -1.005) 4.926 ======================= Grid point 1578 (520/670) ======================= q-point: ( 0.74 0.32 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.075 ( -5.559 15.664 1.163) 16.662 5.165 ( 5.851 7.956 2.711) 10.241 6.865 ( 6.272 -4.169 -0.527) 7.550 9.379 ( -3.598 9.579 -0.840) 10.267 10.025 ( -3.000 -4.711 1.124) 5.697 10.563 ( 2.483 -4.861 -0.686) 5.501 11.121 ( -3.686 4.646 0.527) 5.954 11.537 ( 1.178 -4.500 0.127) 4.654 12.159 ( 2.823 -4.182 -0.930) 5.131 ======================= Grid point 1579 (521/670) ======================= q-point: (-0.21 0.32 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.080 ( -10.819 13.760 1.199) 17.545 5.222 ( -5.093 0.046 2.479) 5.664 6.878 ( 1.873 -6.952 -0.590) 7.224 9.384 ( -6.065 8.625 -0.816) 10.575 9.975 ( 1.227 -2.603 1.159) 3.102 10.546 ( 1.469 -5.153 -0.542) 5.385 11.117 ( -2.563 5.136 0.553) 5.767 11.544 ( 3.842 -2.963 0.094) 4.853 12.174 ( 3.749 -3.648 -0.981) 5.322 ======================= Grid point 1590 (522/670) ======================= q-point: ( 0.37 0.37 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.560 ( -0.000 30.292 -0.659) 30.299 2.444 ( -0.000 34.775 1.714) 34.817 3.708 ( -0.000 55.463 0.378) 55.464 8.695 ( -0.000 4.934 -0.937) 5.023 9.186 ( -0.000 17.169 0.285) 17.172 11.174 ( 0.000 -11.258 0.475) 11.268 11.456 ( 0.000 -3.110 0.351) 3.129 12.264 ( 0.000 1.765 -1.540) 2.342 13.487 ( 0.000 -18.674 0.779) 18.690 ======================= Grid point 1591 (523/670) ======================= q-point: ( 0.42 0.37 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.920 ( 6.130 34.243 -2.303) 34.864 2.895 ( 13.158 32.879 1.214) 35.435 4.300 ( 8.714 49.068 -0.138) 49.836 8.766 ( 2.736 5.410 -0.815) 6.117 9.384 ( 3.409 16.837 0.729) 17.194 11.031 ( -3.833 -11.254 0.628) 11.905 11.435 ( 0.913 -3.255 0.329) 3.396 12.271 ( -0.434 1.027 -1.457) 1.834 13.255 ( -5.148 -20.248 0.625) 20.902 ======================= Grid point 1592 (524/670) ======================= q-point: ( 0.47 0.37 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.407 ( 12.226 35.498 -2.841) 37.652 3.485 ( 18.485 31.400 0.967) 36.450 4.911 ( 13.052 38.409 -0.650) 40.572 8.881 ( 4.429 6.131 -0.827) 7.608 9.618 ( 5.632 14.748 1.257) 15.837 10.849 ( -5.202 -10.263 0.709) 11.528 11.420 ( 0.473 -2.687 0.342) 2.750 12.259 ( -1.010 -0.340 -1.351) 1.721 12.935 ( -9.243 -20.786 0.500) 22.753 ======================= Grid point 1593 (525/670) ======================= q-point: ( 0.53 0.37 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.986 ( 17.061 33.902 -2.400) 38.029 4.092 ( 16.690 30.829 0.888) 35.068 5.460 ( 15.318 25.726 -0.982) 29.957 9.023 ( 4.833 7.244 -0.894) 8.754 9.852 ( 6.385 11.220 1.671) 13.017 10.678 ( -4.332 -8.250 0.703) 9.344 11.396 ( -1.039 -1.682 0.346) 2.007 12.224 ( -1.228 -2.072 -1.175) 2.680 12.559 ( -11.748 -20.059 0.355) 23.249 ======================= Grid point 1594 (526/670) ======================= q-point: ( 0.58 0.37 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.603 ( 19.687 30.121 -1.377) 36.010 4.621 ( 10.446 29.915 0.836) 31.697 5.913 ( 16.362 13.607 -1.012) 21.305 9.173 ( 4.080 8.610 -0.930) 9.573 10.045 ( 5.296 6.589 1.849) 8.653 10.557 ( -2.059 -5.819 0.562) 6.198 11.354 ( -2.769 -0.401 0.331) 2.817 12.148 ( -7.878 -12.665 0.497) 14.923 12.198 ( -5.077 -8.969 -1.275) 10.385 ======================= Grid point 1595 (527/670) ======================= q-point: ( 0.63 0.37 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.201 ( 19.635 24.832 -0.113) 31.657 5.011 ( 3.038 26.758 0.705) 26.939 6.270 ( 15.820 5.335 -0.717) 16.710 9.316 ( 2.452 9.937 -0.882) 10.273 10.153 ( 2.066 1.239 1.773) 2.991 10.497 ( 0.382 -4.285 0.211) 4.308 11.302 ( -3.847 1.167 0.313) 4.032 11.820 ( -9.606 -14.388 0.293) 17.302 12.131 ( -0.000 -4.742 -1.029) 4.852 ======================= Grid point 1596 (528/670) ======================= q-point: ( 0.68 0.37 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.721 ( 16.554 18.466 1.086) 24.824 5.248 ( -2.400 21.361 0.527) 21.502 6.544 ( 12.688 1.915 -0.280) 12.835 9.439 ( 0.322 10.914 -0.714) 10.942 10.143 ( -2.284 -3.484 1.439) 4.407 10.476 ( 1.910 -4.595 -0.315) 4.986 11.256 ( -3.934 2.950 0.316) 4.927 11.582 ( -4.560 -9.971 0.168) 10.965 12.089 ( 1.108 -5.240 -0.801) 5.415 ======================= Grid point 1597 (529/670) ======================= q-point: ( 0.74 0.37 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.097 ( 9.953 11.337 1.837) 15.197 5.364 ( -5.196 16.362 0.412) 17.172 6.725 ( 7.369 0.463 0.034) 7.384 9.531 ( -2.042 11.390 -0.410) 11.579 10.039 ( -4.264 -5.447 0.830) 6.967 10.463 ( 2.663 -5.777 -0.604) 6.390 11.230 ( -3.597 4.377 0.349) 5.676 11.469 ( 0.258 -6.740 0.159) 6.747 12.065 ( 2.380 -5.151 -0.702) 5.718 ======================= Grid point 1598 (530/670) ======================= q-point: (-0.21 0.37 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.264 ( -0.104 4.360 1.765) 4.705 5.405 ( -7.186 13.416 0.382) 15.224 6.794 ( 1.664 -2.127 0.084) 2.701 9.581 ( -5.332 11.088 -0.167) 12.305 9.939 ( -1.102 -4.472 0.599) 4.644 10.451 ( 2.918 -6.171 -0.511) 6.845 11.219 ( -3.261 4.954 0.411) 5.946 11.445 ( 3.273 -5.015 0.110) 5.990 12.066 ( 3.673 -4.630 -0.769) 5.960 ======================= Grid point 1610 (531/670) ======================= q-point: ( 0.42 0.42 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.210 ( -0.000 37.387 -3.526) 37.553 3.090 ( -0.000 31.048 0.673) 31.055 4.713 ( -0.000 48.023 -0.256) 48.024 8.793 ( -0.000 5.527 -0.498) 5.550 9.524 ( -0.000 16.964 0.848) 16.985 10.959 ( 0.000 -10.889 0.830) 10.921 11.387 ( 0.000 -4.146 0.234) 4.152 12.282 ( 0.000 0.909 -1.345) 1.624 13.095 ( 0.000 -21.826 0.476) 21.831 ======================= Grid point 1611 (532/670) ======================= q-point: ( 0.47 0.42 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.613 ( 5.241 38.544 -4.039) 39.108 3.496 ( 13.088 28.570 0.333) 31.427 5.179 ( 3.023 41.517 -0.493) 41.630 8.872 ( 3.019 5.748 -0.359) 6.502 9.705 ( 2.203 15.380 1.145) 15.579 10.830 ( -3.500 -9.633 0.944) 10.292 11.363 ( 1.789 -4.229 0.212) 4.597 12.275 ( -1.179 0.116 -1.214) 1.696 12.842 ( -4.544 -22.296 0.330) 22.757 ======================= Grid point 1612 (533/670) ======================= q-point: ( 0.53 0.42 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.098 ( 9.838 37.247 -3.705) 38.702 4.049 ( 19.935 26.214 0.176) 32.933 5.591 ( 3.529 31.848 -0.661) 32.050 9.000 ( 5.246 6.392 -0.373) 8.278 9.891 ( 3.283 12.248 1.458) 12.764 10.678 ( -4.467 -7.500 0.935) 8.779 11.360 ( 2.026 -3.674 0.237) 4.202 12.237 ( -2.324 -1.207 -1.013) 2.808 12.523 ( -7.959 -21.444 0.155) 22.874 ======================= Grid point 1613 (534/670) ======================= q-point: ( 0.58 0.42 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.630 ( 13.301 33.681 -2.737) 36.315 4.635 ( 19.512 24.443 0.129) 31.276 5.906 ( 4.005 20.883 -0.660) 21.274 9.164 ( 6.110 7.564 -0.463) 9.735 10.049 ( 3.124 7.772 1.643) 8.536 10.552 ( -3.437 -5.052 0.799) 6.163 11.356 ( 0.951 -2.563 0.248) 2.745 12.150 ( -6.705 -12.157 0.467) 13.891 12.196 ( -5.794 -9.764 -1.266) 11.424 ======================= Grid point 1614 (535/670) ======================= q-point: ( 0.63 0.42 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.166 ( 14.986 28.417 -1.441) 32.159 5.136 ( 12.244 21.972 0.067) 25.153 6.146 ( 6.934 11.827 -0.417) 13.716 9.341 ( 5.457 9.024 -0.531) 10.559 10.144 ( 1.495 2.361 1.610) 3.225 10.470 ( -1.732 -3.569 0.490) 3.997 11.343 ( -0.531 -0.882 0.229) 1.054 11.833 ( -9.273 -15.826 0.173) 18.343 12.103 ( -2.186 -3.796 -0.878) 4.467 ======================= Grid point 1615 (536/670) ======================= q-point: ( 0.68 0.42 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.658 ( 14.316 22.039 -0.128) 26.281 5.442 ( 2.354 15.974 -0.096) 16.147 6.391 ( 10.507 8.856 0.028) 13.741 9.510 ( 3.509 10.156 -0.469) 10.755 10.148 ( -1.383 -2.591 1.312) 3.217 10.418 ( -0.397 -4.103 -0.010) 4.122 11.326 ( -1.585 1.199 0.191) 1.996 11.567 ( -6.198 -11.474 0.071) 13.041 12.034 ( -0.854 -4.573 -0.593) 4.690 ======================= Grid point 1616 (537/670) ======================= q-point: ( 0.74 0.42 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.053 ( 10.713 14.996 0.854) 18.449 5.554 ( -2.143 9.225 -0.231) 9.473 6.644 ( 7.910 9.209 0.398) 12.147 9.646 ( 1.009 9.994 -0.117) 10.045 10.066 ( -4.068 -4.433 0.606) 6.047 10.373 ( 0.815 -5.780 -0.406) 5.852 11.316 ( -2.051 2.918 0.163) 3.570 11.408 ( -1.772 -7.955 0.132) 8.151 11.986 ( 0.765 -4.753 -0.432) 4.833 ======================= Grid point 1617 (538/670) ======================= q-point: ( 0.79 0.42 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.292 ( 3.781 7.805 1.111) 8.743 5.583 ( -2.438 6.031 -0.322) 6.513 6.803 ( 0.685 7.386 0.575) 7.440 9.735 ( -0.721 7.827 0.729) 7.894 9.953 ( -4.984 -2.077 -0.375) 5.413 10.338 ( 2.488 -6.548 -0.432) 7.018 11.312 ( -2.243 3.435 0.220) 4.108 11.345 ( 1.787 -5.815 0.132) 6.084 11.967 ( 2.418 -4.353 -0.459) 5.000 ======================= Grid point 1630 (539/670) ======================= q-point: ( 0.47 0.47 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.939 ( -0.000 39.665 -4.752) 39.949 3.647 ( -0.000 26.164 -0.094) 26.165 5.551 ( -0.000 38.497 -0.524) 38.500 8.899 ( -0.000 5.407 -0.038) 5.407 9.836 ( -0.000 14.272 1.211) 14.324 10.776 ( 0.000 -8.266 1.167) 8.348 11.301 ( 0.000 -4.816 0.083) 4.817 12.284 ( 0.000 -0.089 -1.035) 1.039 12.662 ( 0.000 -22.596 0.135) 22.596 ======================= Grid point 1631 (540/670) ======================= q-point: ( 0.53 0.47 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.341 ( 4.051 38.626 -4.729) 39.125 3.999 ( 12.884 23.188 -0.334) 26.529 5.889 ( -0.777 31.893 -0.547) 31.907 8.980 ( 3.529 5.406 0.090) 6.456 9.977 ( 1.083 11.575 1.354) 11.704 10.681 ( -3.080 -6.107 1.215) 6.947 11.276 ( 2.454 -4.719 0.061) 5.319 12.261 ( -1.837 -1.123 -0.713) 2.268 12.415 ( -3.865 -21.211 -0.166) 21.561 ======================= Grid point 1632 (541/670) ======================= q-point: ( 0.58 0.47 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.785 ( 7.319 35.410 -4.019) 36.381 4.495 ( 20.501 19.873 -0.408) 28.555 6.127 ( -2.801 23.734 -0.471) 23.903 9.120 ( 6.425 5.971 0.051) 8.771 10.094 ( 1.131 7.456 1.453) 7.680 10.576 ( -3.914 -3.655 1.076) 5.462 11.284 ( 3.305 -4.047 0.102) 5.226 12.115 ( -6.528 -18.432 0.273) 19.556 12.213 ( -3.537 -2.349 -1.090) 4.383 ======================= Grid point 1633 (542/670) ======================= q-point: ( 0.63 0.47 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.239 ( 9.678 30.359 -2.835) 31.990 5.026 ( 20.844 16.016 -0.376) 26.289 6.265 ( -3.019 16.550 -0.292) 16.825 9.305 ( 7.838 7.057 -0.086) 10.547 10.158 ( 0.177 2.279 1.416) 2.689 10.489 ( -3.482 -2.127 0.784) 4.155 11.304 ( 2.836 -2.703 0.128) 3.920 11.825 ( -7.836 -15.450 -0.052) 17.324 12.126 ( -4.061 -2.419 -0.653) 4.772 ======================= Grid point 1634 (543/670) ======================= q-point: ( 0.68 0.47 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.670 ( 10.631 24.041 -1.475) 26.328 5.444 ( 12.299 9.963 -0.288) 15.831 6.392 ( 2.474 13.723 -0.070) 13.944 9.508 ( 7.226 8.155 -0.221) 10.898 10.149 ( -1.377 -2.644 1.184) 3.207 10.415 ( -3.043 -2.605 0.358) 4.022 11.327 ( 1.798 -0.755 0.110) 1.953 11.569 ( -6.993 -11.026 -0.120) 13.057 12.032 ( -3.482 -3.067 -0.376) 4.656 ======================= Grid point 1635 (544/670) ======================= q-point: ( 0.74 0.47 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.039 ( 9.508 17.054 -0.277) 19.527 5.614 ( 1.847 3.144 -0.200) 3.652 6.628 ( 8.096 14.208 0.121) 16.354 9.686 ( 4.309 7.568 -0.161) 8.710 10.081 ( -2.275 -4.154 0.633) 4.778 10.335 ( -2.449 -4.424 -0.031) 5.057 11.347 ( 0.186 0.337 0.031) 0.386 11.385 ( -3.963 -6.767 0.002) 7.842 11.954 ( -1.886 -3.322 -0.183) 3.825 ======================= Grid point 1636 (545/670) ======================= q-point: ( 0.79 0.47 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.301 ( 5.621 10.008 0.372) 11.484 5.628 ( -0.533 0.250 -0.218) 0.628 6.873 ( 4.110 12.285 0.310) 12.958 9.772 ( 0.473 1.457 0.408) 1.586 10.029 ( -2.218 2.003 -0.258) 3.000 10.258 ( -0.521 -5.505 -0.198) 5.533 11.271 ( -0.877 -5.802 0.056) 5.868 11.371 ( -0.550 2.107 0.072) 2.178 11.908 ( 0.119 -3.055 -0.146) 3.061 ======================= Grid point 1650 (546/670) ======================= q-point: ( 0.53 0.53 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.668 ( -0.000 37.888 -5.112) 38.232 4.097 ( -0.000 20.493 -0.688) 20.505 6.190 ( -0.000 27.756 -0.471) 27.760 8.998 ( -0.000 4.705 0.385) 4.720 10.075 ( -0.000 9.217 1.326) 9.312 10.662 ( 0.000 -4.198 1.405) 4.427 11.206 ( 0.000 -4.860 -0.103) 4.861 12.228 ( 0.000 -16.729 0.378) 16.733 12.283 ( 0.000 -4.342 -1.229) 4.513 ======================= Grid point 1651 (547/670) ======================= q-point: ( 0.58 0.53 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.033 ( 2.805 35.005 -4.813) 35.445 4.387 ( 12.442 17.223 -0.836) 21.264 6.404 ( -3.113 21.690 -0.336) 21.915 9.079 ( 4.208 4.544 0.479) 6.212 10.152 ( 0.096 5.422 1.281) 5.572 10.610 ( -2.779 -2.034 1.327) 3.690 11.186 ( 2.932 -4.447 -0.122) 5.328 12.022 ( -3.276 -17.416 -0.114) 17.722 12.246 ( -2.256 -1.157 -0.646) 2.617 ======================= Grid point 1652 (548/670) ======================= q-point: ( 0.63 0.53 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.403 ( 4.974 30.179 -3.932) 30.838 4.813 ( 19.811 13.371 -0.767) 23.914 6.506 ( -5.862 15.724 -0.176) 16.782 9.228 ( 7.808 5.009 0.385) 9.284 10.182 ( -0.668 0.682 1.148) 1.493 10.544 ( -4.001 -0.581 1.023) 4.170 11.210 ( 4.336 -3.448 -0.060) 5.540 11.796 ( -5.516 -13.401 -0.266) 14.494 12.177 ( -4.149 -1.472 -0.332) 4.415 ======================= Grid point 1653 (549/670) ======================= q-point: ( 0.68 0.53 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.754 ( 6.545 23.930 -2.681) 24.954 5.257 ( 19.049 8.482 -0.489) 20.858 6.542 ( -4.353 12.135 -0.125) 12.893 9.431 ( 9.626 5.845 0.148) 11.263 10.148 ( -1.824 -3.813 0.894) 4.320 10.468 ( -4.729 -0.796 0.648) 4.839 11.259 ( 4.425 -1.868 -0.027) 4.804 11.586 ( -6.449 -8.935 -0.283) 11.023 12.082 ( -4.999 -1.751 -0.080) 5.297 ======================= Grid point 1654 (550/670) ======================= q-point: ( 0.74 0.53 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.062 ( 7.081 16.908 -1.378) 18.383 5.553 ( 8.876 2.669 -0.025) 9.269 6.647 ( 4.082 11.575 -0.281) 12.277 9.646 ( 8.285 6.064 -0.186) 10.269 10.066 ( -1.794 -5.906 0.572) 6.199 10.370 ( -5.304 -2.240 0.355) 5.769 11.317 ( 3.507 -0.290 -0.041) 3.519 11.410 ( -6.049 -5.497 -0.192) 8.176 11.984 ( -4.438 -1.764 0.093) 4.777 ======================= Grid point 1670 (551/670) ======================= q-point: ( 0.58 0.58 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.326 ( -0.000 32.474 -4.939) 32.847 4.430 ( -0.000 14.443 -1.158) 14.490 6.624 ( -0.000 17.468 -0.143) 17.469 9.082 ( -0.000 3.607 0.739) 3.682 10.193 ( -0.000 2.081 1.075) 2.343 10.627 ( -0.000 -0.450 1.395) 1.466 11.116 ( 0.000 -4.161 -0.313) 4.173 11.894 ( 0.000 -14.300 -0.309) 14.304 12.255 ( 0.000 -0.937 -0.286) 0.979 ======================= Grid point 1671 (552/670) ======================= q-point: ( 0.63 0.58 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.616 ( 2.465 25.790 -4.192) 26.245 4.660 ( 11.069 13.219 -1.487) 17.306 6.734 ( -4.246 12.757 0.061) 13.446 9.159 ( 4.973 3.335 0.783) 6.039 10.192 ( -0.709 -1.767 0.786) 2.060 10.607 ( -2.855 0.563 1.146) 3.128 11.108 ( 3.377 -3.370 -0.321) 4.782 11.750 ( -2.752 -10.199 -0.368) 10.570 12.224 ( -2.573 -0.899 0.036) 2.726 ======================= Grid point 1672 (553/670) ======================= q-point: ( 0.68 0.58 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.885 ( 3.529 20.975 -3.455) 21.549 5.011 ( 18.030 8.051 -1.016) 19.772 6.742 ( -6.550 8.929 0.131) 11.074 9.315 ( 9.196 3.627 0.604) 9.903 10.139 ( -1.905 -4.965 0.409) 5.334 10.550 ( -4.776 0.398 0.791) 4.857 11.155 ( 5.235 -2.114 -0.257) 5.651 11.607 ( -4.747 -6.162 -0.323) 7.785 12.154 ( -4.665 -0.831 0.291) 4.747 ======================= Grid point 1673 (554/670) ======================= q-point: (-0.26 -0.42 -0.79) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.115 ( 4.361 14.262 -2.272) 15.085 5.368 ( 16.346 3.648 -0.401) 16.753 6.726 ( -3.017 6.662 -0.118) 7.314 9.529 ( 11.150 4.033 0.197) 11.859 10.043 ( -2.687 -6.440 0.083) 6.979 10.459 ( -6.281 -0.578 0.559) 6.333 11.232 ( 5.529 -0.879 -0.237) 5.604 11.471 ( -5.985 -3.176 -0.225) 6.780 12.060 ( -5.574 -0.583 0.440) 5.622 ======================= Grid point 1690 (555/670) ======================= q-point: ( 0.63 0.63 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.644 ( -0.000 8.422 -1.519) 8.557 4.846 ( -0.000 23.375 -4.407) 23.787 6.879 ( -0.000 9.309 0.337) 9.315 9.145 ( -0.000 2.288 1.011) 2.501 10.172 ( 0.000 -4.023 0.336) 4.037 10.644 ( -0.000 1.021 1.073) 1.481 11.046 ( 0.000 -2.807 -0.517) 2.854 11.691 ( 0.000 -6.646 -0.347) 6.655 12.240 ( -0.000 -0.492 0.387) 0.626 ======================= Grid point 1691 (556/670) ======================= q-point: (-0.32 -0.37 -0.79) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.804 ( 11.207 5.392 -1.513) 12.529 5.040 ( 1.025 16.985 -3.826) 17.441 6.914 ( -4.641 6.066 0.502) 7.654 9.215 ( 5.689 1.887 0.998) 6.076 10.117 ( -1.267 -5.204 -0.155) 5.358 10.628 ( -3.215 0.587 0.807) 3.366 11.055 ( 3.829 -1.804 -0.514) 4.264 11.620 ( -2.448 -3.530 -0.259) 4.304 12.215 ( -2.788 -0.129 0.656) 2.867 ======================= Grid point 1692 (557/670) ======================= q-point: (-0.26 -0.37 -0.79) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.085 ( 16.313 2.878 -1.213) 16.610 5.188 ( 3.257 9.097 -2.790) 10.057 6.861 ( -6.522 3.327 0.396) 7.333 9.372 ( 10.316 1.696 0.732) 10.480 10.033 ( -2.652 -4.882 -0.558) 5.583 10.557 ( -5.425 -0.242 0.608) 5.464 11.125 ( 5.803 -0.836 -0.462) 5.881 11.538 ( -4.486 -1.265 -0.171) 4.665 12.151 ( -4.966 0.296 0.789) 5.037 ======================= Grid point 1710 (558/670) ======================= q-point: (-0.32 -0.32 -0.79) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.741 ( 0.000 2.644 -1.770) 3.182 5.157 ( -0.000 10.522 -3.752) 11.171 7.003 ( -0.000 3.455 0.786) 3.543 9.181 ( -0.000 0.867 1.195) 1.477 10.080 ( 0.000 -4.357 -0.677) 4.410 10.662 ( -0.000 -0.093 0.732) 0.738 11.005 ( 0.000 -1.028 -0.667) 1.225 11.617 ( 0.000 -1.376 -0.167) 1.386 12.243 ( -0.000 0.428 0.925) 1.019 ======================= Grid point 1711 (559/670) ======================= q-point: (-0.26 -0.32 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.846 ( 11.243 -0.127 -1.658) 11.366 5.217 ( 0.583 2.913 -3.279) 4.425 6.984 ( -4.829 0.914 0.840) 4.986 9.242 ( 6.070 0.210 1.131) 6.178 10.030 ( -1.547 -2.599 -1.050) 3.201 10.629 ( -3.295 -0.995 0.609) 3.495 11.033 ( 3.968 -0.151 -0.644) 4.023 11.591 ( -2.371 0.332 -0.108) 2.397 12.228 ( -2.888 0.912 1.038) 3.201 ======================= Grid point 1730 (560/670) ======================= q-point: (-0.26 -0.26 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.727 ( 0.000 -2.985 -1.902) 3.540 5.194 ( 0.000 -4.758 -3.335) 5.811 7.027 ( -0.000 -1.596 1.040) 1.905 9.191 ( -0.000 -0.581 1.291) 1.416 10.026 ( 0.000 -0.386 -1.308) 1.363 10.644 ( 0.000 -2.031 0.627) 2.125 11.000 ( 0.000 0.913 -0.722) 1.164 11.622 ( -0.000 1.953 -0.086) 1.955 12.266 ( -0.000 1.312 1.124) 1.728 ======================= Grid point 1911 (561/670) ======================= q-point: ( 0.26 0.26 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 670 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.581 ( -0.000 0.000 11.177) 11.177 0.581 ( -0.000 0.000 11.177) 11.177 0.803 ( -0.000 0.000 14.388) 14.388 8.555 ( 0.000 -0.000 -1.450) 1.450 8.555 ( 0.000 -0.000 -1.450) 1.450 11.538 ( -0.000 0.000 0.478) 0.478 11.538 ( -0.000 0.000 0.478) 0.478 12.194 ( 0.000 -0.000 -1.308) 1.308 14.093 ( -0.000 0.000 0.709) 0.709 ======================= Grid point 1912 (562/670) ======================= q-point: ( 0.32 0.26 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.847 ( 3.224 1.861 11.744) 12.320 0.981 ( 27.911 16.115 6.739) 32.926 1.452 ( 50.783 29.320 3.664) 58.754 8.580 ( 2.190 1.264 -1.496) 2.938 8.630 ( 7.103 4.101 -1.086) 8.274 11.508 ( -3.419 -1.974 -0.093) 3.949 11.529 ( -0.899 -0.519 0.484) 1.145 12.200 ( 0.997 0.576 -1.362) 1.783 14.012 ( -6.974 -4.026 1.128) 8.131 ======================= Grid point 1913 (563/670) ======================= q-point: ( 0.37 0.26 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.035 ( 12.598 7.273 5.807) 15.663 1.675 ( 31.395 18.126 4.039) 36.477 2.622 ( 51.862 29.943 0.965) 59.893 8.642 ( 3.676 2.122 -1.547) 4.518 8.851 ( 12.400 7.159 -0.188) 14.320 11.381 ( -7.559 -4.364 0.022) 8.728 11.500 ( -1.816 -1.048 0.481) 2.151 12.229 ( 1.751 1.011 -1.536) 2.539 13.800 ( -12.123 -6.999 1.070) 14.039 ======================= Grid point 1914 (564/670) ======================= q-point: ( 0.42 0.26 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.459 ( 24.054 13.887 1.256) 27.803 2.376 ( 29.998 17.319 2.961) 34.764 3.742 ( 47.837 27.619 -0.322) 55.239 8.732 ( 4.622 2.669 -1.582) 5.567 9.162 ( 14.974 8.645 0.726) 17.305 11.188 ( -9.383 -5.417 0.228) 10.837 11.450 ( -2.795 -1.613 0.476) 3.262 12.262 ( 1.494 0.862 -1.519) 2.298 13.483 ( -16.304 -9.413 0.846) 18.845 ======================= Grid point 1915 (565/670) ======================= q-point: ( 0.47 0.26 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.085 ( 31.053 17.928 -0.348) 35.859 3.021 ( 26.867 15.512 2.467) 31.121 4.742 ( 41.428 23.919 -1.062) 47.849 8.835 ( 4.959 2.863 -1.582) 5.941 9.504 ( 14.951 8.632 1.401) 17.321 10.979 ( -9.031 -5.214 0.316) 10.433 11.378 ( -3.701 -2.137 0.480) 4.300 12.284 ( 0.796 0.460 -1.420) 1.691 13.087 ( -19.038 -10.991 0.696) 21.994 ======================= Grid point 1916 (566/670) ======================= q-point: ( 0.53 0.26 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.812 ( 33.452 19.314 -0.251) 38.628 3.583 ( 22.672 13.090 2.228) 26.274 5.575 ( 33.201 19.169 -1.437) 38.364 8.940 ( 4.736 2.734 -1.541) 5.682 9.822 ( 12.663 7.311 1.783) 14.730 10.800 ( -6.785 -3.917 0.305) 7.841 11.290 ( -4.298 -2.481 0.500) 4.988 12.289 ( -0.017 -0.010 -1.285) 1.285 12.652 ( -19.661 -11.351 0.552) 22.709 ======================= Grid point 1917 (567/670) ======================= q-point: ( 0.58 0.26 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.553 ( 32.205 18.593 0.613) 37.192 4.042 ( 17.771 10.260 2.101) 20.628 6.210 ( 23.944 13.824 -1.507) 27.689 9.035 ( 4.074 2.352 -1.470) 4.928 10.064 ( 8.184 4.725 1.902) 9.640 10.687 ( -3.346 -1.932 0.167) 3.868 11.193 ( -4.342 -2.507 0.545) 5.043 12.217 ( -15.493 -8.945 0.629) 17.900 12.293 ( -2.652 -1.531 -1.423) 3.376 ======================= Grid point 1918 (568/670) ======================= q-point: ( 0.63 0.26 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.232 ( 27.800 16.050 1.785) 32.150 4.387 ( 12.528 7.233 2.015) 14.605 6.640 ( 15.105 8.721 -1.347) 17.493 9.112 ( 3.114 1.798 -1.391) 3.855 10.183 ( 1.819 1.050 1.824) 2.782 10.649 ( -0.253 -0.146 -0.164) 0.335 11.104 ( -3.713 -2.144 0.610) 4.331 11.885 ( -12.307 -7.105 0.339) 14.214 12.268 ( -0.658 -0.380 -1.246) 1.459 ======================= Grid point 1919 (569/670) ======================= q-point: ( 0.68 0.26 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.613 ( 7.299 4.214 1.948) 8.650 4.782 ( 20.193 11.658 2.912) 23.498 6.892 ( 8.095 4.674 -1.113) 9.413 9.165 ( 1.979 1.143 -1.327) 2.642 10.162 ( -3.579 -2.067 1.552) 4.415 10.659 ( 0.859 0.496 -0.589) 1.153 11.035 ( -2.492 -1.439 0.679) 2.957 11.686 ( -5.657 -3.266 0.172) 6.534 12.253 ( -0.296 -0.171 -1.123) 1.174 ======================= Grid point 1920 (570/670) ======================= q-point: ( 0.74 0.26 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.725 ( 2.285 1.319 1.908) 3.256 5.126 ( 9.206 5.315 3.559) 11.210 7.010 ( 3.034 1.752 -0.974) 3.636 9.192 ( 0.755 0.436 -1.292) 1.559 10.072 ( -3.873 -2.236 1.226) 4.637 10.668 ( -0.134 -0.077 -0.775) 0.790 10.999 ( -0.904 -0.522 0.724) 1.271 11.615 ( -1.154 -0.666 0.118) 1.338 12.251 ( 0.425 0.246 -1.073) 1.180 ======================= Grid point 1931 (571/670) ======================= q-point: ( 0.32 0.32 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.886 ( -0.000 4.522 10.761) 11.673 1.057 ( -0.000 32.789 5.619) 33.267 1.423 ( -0.000 57.555 4.122) 57.702 8.561 ( 0.000 1.774 -1.322) 2.212 8.641 ( -0.000 8.948 -1.229) 9.032 11.505 ( 0.000 -4.181 0.004) 4.181 11.533 ( -0.000 -0.922 0.451) 1.027 12.197 ( 0.000 1.145 -1.310) 1.740 14.015 ( 0.000 -7.977 1.045) 8.045 ======================= Grid point 1932 (572/670) ======================= q-point: ( 0.37 0.32 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( 4.254 10.310 6.559) 12.939 1.547 ( 16.158 33.762 3.888) 37.631 2.285 ( 31.135 50.383 1.651) 59.250 8.605 ( 2.760 2.618 -1.321) 4.027 8.789 ( 5.799 11.927 -0.603) 13.275 11.418 ( -3.838 -7.128 0.039) 8.096 11.517 ( -0.820 -1.118 0.430) 1.451 12.215 ( 0.889 1.605 -1.408) 2.313 13.872 ( -6.278 -10.797 1.029) 12.532 ======================= Grid point 1933 (573/670) ======================= q-point: ( 0.42 0.32 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.306 ( 13.845 18.585 2.117) 23.271 2.197 ( 21.197 31.375 2.900) 37.975 3.325 ( 38.526 40.297 0.113) 55.750 8.688 ( 3.828 3.626 -1.419) 5.461 9.050 ( 10.558 12.772 0.320) 16.574 11.250 ( -6.514 -8.872 0.199) 11.009 11.484 ( -2.053 -0.957 0.432) 2.305 12.243 ( 1.224 1.158 -1.419) 2.202 13.610 ( -11.359 -13.039 0.837) 17.313 ======================= Grid point 1934 (574/670) ======================= q-point: ( 0.47 0.32 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.830 ( 23.059 23.600 0.033) 32.995 2.851 ( 20.578 28.957 2.394) 35.605 4.322 ( 38.448 31.410 -0.758) 49.653 8.791 ( 4.199 4.477 -1.478) 6.313 9.372 ( 12.734 11.967 1.061) 17.507 11.045 ( -7.210 -9.104 0.275) 11.616 11.431 ( -3.483 -0.695 0.431) 3.577 12.266 ( 1.057 0.166 -1.316) 1.696 13.253 ( -15.164 -14.575 0.673) 21.043 ======================= Grid point 1935 (575/670) ======================= q-point: ( 0.53 0.32 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.503 ( 28.408 24.876 -0.122) 37.760 3.447 ( 17.543 26.319 2.131) 31.701 5.198 ( 34.443 23.069 -1.206) 41.473 8.903 ( 3.960 5.071 -1.475) 6.601 9.696 ( 12.402 9.963 1.488) 15.977 10.849 ( -5.981 -7.999 0.255) 9.991 11.357 ( -4.769 -0.422 0.434) 4.807 12.273 ( 0.708 -0.927 -1.177) 1.657 12.836 ( -17.232 -15.075 0.561) 22.902 ======================= Grid point 1936 (576/670) ======================= q-point: ( 0.58 0.32 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.234 ( 29.906 23.602 0.628) 38.103 3.953 ( 13.289 23.239 1.981) 26.844 5.904 ( 27.933 15.110 -1.327) 31.785 9.010 ( 3.176 5.455 -1.419) 6.470 9.972 ( 9.743 6.930 1.612) 12.064 10.703 ( -3.224 -5.869 0.127) 6.698 11.269 ( -5.534 -0.093 0.453) 5.553 12.264 ( -0.031 -2.158 -0.872) 2.328 12.406 ( -16.511 -13.890 0.275) 21.578 ======================= Grid point 1937 (577/670) ======================= q-point: ( 0.63 0.32 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.942 ( 28.035 20.479 1.713) 34.761 4.349 ( 8.480 19.761 1.877) 21.586 6.416 ( 20.319 8.034 -1.200) 21.883 9.104 ( 1.972 5.687 -1.333) 6.165 10.149 ( 4.784 2.860 1.512) 5.775 10.631 ( -0.024 -3.564 -0.149) 3.567 11.178 ( -5.522 0.442 0.495) 5.561 12.014 ( -13.494 -11.512 0.481) 17.744 12.253 ( 0.275 -2.487 -1.119) 2.741 ======================= Grid point 1938 (578/670) ======================= q-point: ( 0.68 0.32 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.555 ( 22.304 15.569 2.692) 27.333 4.631 ( 4.201 16.330 1.872) 16.965 6.743 ( 13.235 2.610 -0.964) 13.524 9.177 ( 0.491 5.803 -1.241) 5.955 10.188 ( -1.212 -1.524 1.274) 2.327 10.622 ( 2.011 -2.324 -0.539) 3.120 11.101 ( -4.756 1.332 0.554) 4.970 11.744 ( -7.409 -7.431 0.281) 10.497 12.233 ( 0.671 -2.637 -0.976) 2.891 ======================= Grid point 1939 (579/670) ======================= q-point: ( 0.74 0.32 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.791 ( -1.009 12.549 1.689) 12.703 5.009 ( 14.150 9.633 3.455) 17.463 6.919 ( 7.656 -1.039 -0.801) 7.768 9.224 ( -1.154 5.772 -1.164) 6.000 10.112 ( -3.985 -3.747 0.981) 5.557 10.634 ( 2.086 -2.567 -0.744) 3.390 11.051 ( -3.542 2.457 0.610) 4.354 11.618 ( -1.784 -3.856 0.186) 4.253 12.222 ( 1.379 -2.462 -0.946) 2.976 ======================= Grid point 1951 (580/670) ======================= q-point: ( 0.37 0.37 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.110 ( -0.000 15.664 4.053) 16.179 1.759 ( -0.000 36.085 2.522) 36.173 2.591 ( -0.000 59.532 1.602) 59.553 8.608 ( -0.000 3.685 -0.982) 3.814 8.871 ( -0.000 14.832 -0.595) 14.844 11.375 ( 0.000 -8.946 0.178) 8.948 11.507 ( 0.000 -1.995 0.370) 2.029 12.222 ( 0.000 2.026 -1.369) 2.445 13.807 ( 0.000 -13.954 0.909) 13.984 ======================= Grid point 1952 (581/670) ======================= q-point: ( 0.42 0.37 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.350 ( 5.978 23.245 0.865) 24.017 2.238 ( 13.684 35.033 1.836) 37.656 3.307 ( 17.130 52.892 0.613) 55.600 8.668 ( 2.592 4.410 -0.909) 5.195 9.062 ( 4.790 16.012 -0.027) 16.713 11.245 ( -3.997 -10.368 0.322) 11.117 11.488 ( -0.022 -2.146 0.342) 2.173 12.240 ( 0.326 1.680 -1.324) 2.164 13.613 ( -5.712 -16.279 0.736) 17.268 ======================= Grid point 1953 (582/670) ======================= q-point: ( 0.47 0.37 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.772 ( 14.054 28.725 -0.871) 31.991 2.852 ( 17.967 33.791 1.588) 38.304 4.128 ( 24.884 41.742 -0.291) 48.598 8.767 ( 3.883 5.250 -1.001) 6.606 9.328 ( 8.277 15.166 0.673) 17.291 11.057 ( -5.879 -10.760 0.388) 12.268 11.463 ( -1.050 -1.633 0.342) 1.972 12.253 ( 0.255 0.532 -1.216) 1.352 13.313 ( -10.379 -17.795 0.578) 20.609 ======================= Grid point 1954 (583/670) ======================= q-point: ( 0.53 0.37 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.354 ( 20.880 30.261 -0.950) 36.778 3.471 ( 16.275 32.767 1.508) 36.618 4.917 ( 27.323 29.873 -0.852) 40.493 8.888 ( 4.104 6.236 -1.098) 7.545 9.621 ( 9.792 12.747 1.170) 16.117 10.858 ( -5.655 -9.882 0.367) 11.391 11.420 ( -2.707 -0.828 0.337) 2.851 12.251 ( 0.160 -1.001 -1.067) 1.472 12.935 ( -13.612 -18.333 0.474) 22.839 ======================= Grid point 1955 (584/670) ======================= q-point: ( 0.58 0.37 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.026 ( 24.753 28.739 -0.123) 37.929 4.023 ( 11.862 31.098 1.464) 33.316 5.599 ( 25.968 18.676 -1.058) 32.003 9.015 ( 3.500 7.244 -1.129) 8.124 9.893 ( 9.111 9.246 1.355) 13.051 10.692 ( -3.679 -7.854 0.246) 8.676 11.358 ( -4.334 0.031 0.325) 4.347 12.234 ( 0.162 -2.555 -0.855) 2.699 12.520 ( -14.837 -17.586 0.345) 23.011 ======================= Grid point 1956 (585/670) ======================= q-point: ( 0.63 0.37 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.715 ( 25.422 25.185 1.034) 35.800 4.470 ( 6.545 28.220 1.395) 29.002 6.134 ( 21.939 9.272 -0.959) 23.838 9.136 ( 2.261 8.186 -1.086) 8.562 10.097 ( 6.089 4.827 1.259) 7.872 10.591 ( -0.757 -5.421 -0.007) 5.473 11.281 ( -5.303 0.952 0.322) 5.397 12.111 ( -12.986 -14.954 0.581) 19.814 12.213 ( -0.050 -4.088 -1.030) 4.216 ======================= Grid point 1957 (586/670) ======================= q-point: ( 0.68 0.37 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.349 ( 22.880 20.139 2.159) 30.557 4.795 ( 1.457 24.256 1.296) 24.334 6.510 ( 16.563 2.632 -0.688) 16.785 9.240 ( 0.580 8.995 -0.986) 9.068 10.184 ( 0.995 -0.216 0.988) 1.419 10.556 ( 1.714 -3.911 -0.395) 4.288 11.207 ( -5.283 2.121 0.344) 5.704 11.791 ( -8.908 -11.438 0.331) 14.501 12.181 ( 0.942 -4.311 -0.749) 4.476 ======================= Grid point 1958 (587/670) ======================= q-point: ( 0.74 0.37 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.858 ( 16.377 13.898 2.846) 21.667 5.001 ( -2.344 19.933 1.251) 20.110 6.744 ( 11.077 -1.326 -0.445) 11.165 9.322 ( -1.386 9.608 -0.848) 9.744 10.138 ( -3.411 -4.145 0.631) 5.405 10.557 ( 2.748 -4.019 -0.677) 4.916 11.152 ( -4.527 3.518 0.393) 5.746 11.604 ( -2.938 -7.159 0.257) 7.743 12.158 ( 1.722 -4.449 -0.690) 4.820 ======================= Grid point 1971 (588/670) ======================= q-point: ( 0.42 0.42 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.552 ( -0.000 28.727 -1.213) 28.753 2.456 ( -0.000 34.462 0.911) 34.474 3.712 ( -0.000 55.068 0.544) 55.070 8.689 ( -0.000 5.010 -0.510) 5.036 9.188 ( -0.000 17.505 0.025) 17.505 11.178 ( 0.000 -11.118 0.500) 11.129 11.459 ( 0.000 -3.132 0.249) 3.142 12.252 ( 0.000 1.754 -1.224) 2.139 13.492 ( 0.000 -18.758 0.579) 18.767 ======================= Grid point 1972 (589/670) ======================= q-point: ( 0.47 0.42 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.900 ( 6.286 33.260 -2.500) 33.941 2.903 ( 13.283 32.621 0.534) 35.226 4.300 ( 8.558 48.814 0.085) 49.558 8.761 ( 2.624 5.500 -0.396) 6.106 9.389 ( 3.549 17.116 0.409) 17.485 11.036 ( -3.868 -11.117 0.591) 11.785 11.437 ( 0.945 -3.275 0.222) 3.415 12.260 ( -0.434 1.025 -1.100) 1.565 13.260 ( -5.144 -20.318 0.427) 20.963 ======================= Grid point 1973 (590/670) ======================= q-point: ( 0.53 0.42 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.384 ( 12.665 34.886 -2.489) 37.197 3.491 ( 18.697 31.134 0.490) 36.320 4.907 ( 12.855 38.306 -0.360) 40.407 8.876 ( 4.260 6.243 -0.469) 7.573 9.627 ( 5.804 14.951 0.831) 16.059 10.854 ( -5.261 -10.131 0.574) 11.430 11.422 ( 0.505 -2.701 0.231) 2.758 12.249 ( -1.005 -0.336 -0.947) 1.421 12.938 ( -9.228 -20.851 0.317) 22.804 ======================= Grid point 1974 (591/670) ======================= q-point: ( 0.58 0.42 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.969 ( 17.683 33.456 -1.574) 37.874 4.098 ( 16.922 30.547 0.591) 34.926 5.453 ( 15.161 25.744 -0.626) 29.883 9.016 ( 4.670 7.363 -0.587) 8.739 9.864 ( 6.506 11.367 1.069) 13.141 10.683 ( -4.417 -8.134 0.458) 9.267 11.398 ( -1.019 -1.691 0.226) 1.987 12.216 ( -1.193 -2.026 -0.742) 2.465 12.561 ( -11.753 -20.171 0.214) 23.346 ======================= Grid point 1975 (592/670) ======================= q-point: ( 0.63 0.42 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.596 ( 20.366 29.746 -0.278) 36.051 4.627 ( 10.633 29.616 0.682) 31.475 5.906 ( 16.302 13.722 -0.636) 21.318 9.166 ( 3.961 8.725 -0.653) 9.605 10.057 ( 5.334 6.703 1.032) 8.629 10.560 ( -2.186 -5.736 0.222) 6.142 11.357 ( -2.754 -0.411 0.200) 2.792 12.152 ( -6.832 -11.340 0.498) 13.248 12.188 ( -6.101 -10.367 -0.897) 12.062 ======================= Grid point 1976 (593/670) ======================= q-point: ( 0.68 0.42 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.205 ( 20.277 24.485 1.020) 31.807 5.017 ( 3.173 26.423 0.660) 26.621 6.266 ( 15.834 5.539 -0.399) 16.780 9.310 ( 2.387 10.058 -0.620) 10.356 10.164 ( 2.043 1.330 0.749) 2.550 10.497 ( 0.198 -4.260 -0.149) 4.267 11.304 ( -3.820 1.150 0.175) 3.994 11.822 ( -9.621 -14.487 0.257) 17.392 12.124 ( 0.020 -4.698 -0.517) 4.727 ======================= Grid point 1977 (594/670) ======================= q-point: ( 0.74 0.42 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.734 ( 17.055 18.102 1.996) 24.951 5.253 ( -2.267 20.991 0.535) 21.120 6.542 ( 12.684 2.171 -0.076) 12.868 9.434 ( 0.299 11.083 -0.464) 11.096 10.150 ( -2.356 -3.471 0.295) 4.205 10.473 ( 1.759 -4.590 -0.512) 4.942 11.258 ( -3.885 2.924 0.178) 4.866 11.583 ( -4.549 -10.022 0.246) 11.009 12.084 ( 1.070 -5.200 -0.386) 5.323 ======================= Grid point 1991 (595/670) ======================= q-point: ( 0.47 0.47 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.179 ( -0.000 36.703 -3.714) 36.890 3.093 ( -0.000 30.897 -0.105) 30.898 4.712 ( -0.000 47.773 0.057) 47.773 8.791 ( -0.000 5.594 -0.005) 5.594 9.530 ( -0.000 17.251 0.439) 17.257 10.966 ( 0.000 -10.740 0.789) 10.769 11.389 ( 0.000 -4.171 0.100) 4.173 12.273 ( 0.000 0.917 -0.959) 1.326 13.098 ( 0.000 -21.898 0.266) 21.899 ======================= Grid point 1992 (596/670) ======================= q-point: ( 0.53 0.47 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.579 ( 5.543 38.090 -3.920) 38.690 3.496 ( 13.195 28.439 -0.342) 31.353 5.177 ( 2.959 41.350 -0.106) 41.456 8.871 ( 2.914 5.819 0.113) 6.508 9.713 ( 2.286 15.624 0.637) 15.803 10.837 ( -3.565 -9.484 0.834) 10.167 11.365 ( 1.834 -4.254 0.076) 4.633 12.266 ( -1.179 0.139 -0.793) 1.428 12.844 ( -4.531 -22.378 0.132) 22.833 ======================= Grid point 1993 (597/670) ======================= q-point: ( 0.58 0.47 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.069 ( 10.409 36.889 -3.192) 38.462 4.048 ( 20.113 26.059 -0.318) 32.920 5.587 ( 3.448 31.789 -0.219) 31.976 8.999 ( 5.080 6.474 0.045) 8.230 9.901 ( 3.379 12.436 0.804) 12.912 10.686 ( -4.567 -7.369 0.727) 8.700 11.361 ( 2.070 -3.691 0.101) 4.233 12.230 ( -2.304 -1.121 -0.582) 2.627 12.524 ( -7.951 -21.592 0.010) 23.009 ======================= Grid point 1994 (598/670) ======================= q-point: ( 0.63 0.47 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.610 ( 14.017 33.344 -1.919) 36.221 4.634 ( 19.714 24.247 -0.160) 31.250 5.902 ( 3.944 20.932 -0.231) 21.302 9.161 ( 5.941 7.648 -0.091) 9.685 10.059 ( 3.174 7.914 0.798) 8.564 10.558 ( -3.571 -4.951 0.504) 6.126 11.357 ( 0.976 -2.573 0.106) 2.754 12.154 ( -6.110 -10.785 0.375) 12.401 12.187 ( -6.351 -11.207 -0.808) 12.906 ======================= Grid point 1995 (599/670) ======================= q-point: ( 0.68 0.47 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.157 ( 15.719 28.079 -0.502) 32.183 5.136 ( 12.397 21.734 0.024) 25.021 6.144 ( 6.942 11.961 -0.140) 13.830 9.338 ( 5.339 9.099 -0.185) 10.552 10.153 ( 1.475 2.476 0.554) 2.935 10.473 ( -1.914 -3.512 0.171) 4.004 11.344 ( -0.520 -0.888 0.079) 1.032 11.834 ( -9.255 -15.946 0.064) 18.437 12.098 ( -2.157 -3.739 -0.308) 4.328 ======================= Grid point 1996 (600/670) ======================= q-point: ( 0.74 0.47 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.660 ( 14.945 21.682 0.714) 26.343 5.442 ( 2.416 15.729 0.099) 15.914 6.392 ( 10.587 9.012 0.055) 13.903 9.507 ( 3.486 10.245 -0.136) 10.822 10.154 ( -1.485 -2.525 0.073) 2.930 10.418 ( -0.597 -4.069 -0.197) 4.118 11.327 ( -1.570 1.186 0.041) 1.968 11.568 ( -6.140 -11.540 0.105) 13.072 12.031 ( -0.866 -4.537 -0.116) 4.620 ======================= Grid point 2011 (601/670) ======================= q-point: ( 0.53 0.53 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.899 ( -0.000 39.374 -4.576) 39.639 3.643 ( -0.000 26.094 -0.802) 26.107 5.548 ( -0.000 38.347 -0.066) 38.347 8.900 ( -0.000 5.455 0.454) 5.473 9.844 ( -0.000 14.513 0.614) 14.526 10.786 ( 0.000 -8.115 1.034) 8.181 11.301 ( 0.000 -4.848 -0.072) 4.849 12.277 ( 0.000 -0.028 -0.602) 0.603 12.663 ( 0.000 -22.711 -0.043) 22.711 ======================= Grid point 2012 (602/670) ======================= q-point: ( 0.58 0.53 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.303 ( 4.371 38.412 -4.326) 38.901 3.993 ( 12.982 23.129 -0.940) 26.540 5.887 ( -0.794 31.802 -0.039) 31.812 8.983 ( 3.432 5.451 0.545) 6.465 9.985 ( 1.123 11.776 0.639) 11.846 10.691 ( -3.171 -5.974 1.008) 6.839 11.276 ( 2.514 -4.751 -0.092) 5.375 12.257 ( -1.815 -0.851 -0.340) 2.033 12.413 ( -3.873 -21.531 -0.227) 21.878 ======================= Grid point 2013 (603/670) ======================= q-point: ( 0.63 0.53 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.754 ( 7.889 35.200 -3.371) 36.231 4.490 ( 20.657 19.810 -0.831) 28.633 6.125 ( -2.816 23.704 0.023) 23.871 9.122 ( 6.269 6.014 0.456) 8.699 10.103 ( 1.168 7.606 0.578) 7.716 10.584 ( -4.047 -3.557 0.796) 5.447 11.285 ( 3.365 -4.071 -0.046) 5.282 12.117 ( -6.557 -18.834 -0.029) 19.943 12.207 ( -3.484 -1.992 -0.402) 4.034 ======================= Grid point 2014 (604/670) ======================= q-point: ( 0.68 0.53 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.218 ( 10.369 30.128 -2.047) 31.928 5.022 ( 21.016 15.961 -0.542) 26.395 6.264 ( -3.027 16.545 0.056) 16.820 9.306 ( 7.675 7.083 0.283) 10.448 10.165 ( 0.178 2.391 0.351) 2.423 10.495 ( -3.643 -2.069 0.495) 4.218 11.305 ( 2.873 -2.719 -0.024) 3.955 11.824 ( -7.799 -15.555 -0.167) 17.402 12.122 ( -4.062 -2.347 -0.071) 4.692 ======================= Grid point 2031 (605/670) ======================= q-point: ( 0.58 0.58 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.626 ( -0.000 37.777 -4.652) 38.062 4.089 ( -0.000 20.463 -1.294) 20.504 6.188 ( -0.000 27.696 0.084) 27.696 9.003 ( -0.000 4.734 0.820) 4.804 10.083 ( -0.000 9.387 0.523) 9.402 10.673 ( 0.000 -4.087 1.161) 4.248 11.204 ( 0.000 -4.901 -0.265) 4.909 12.230 ( 0.000 -17.467 0.029) 17.467 12.276 ( 0.000 -3.630 -0.512) 3.666 ======================= Grid point 2032 (606/670) ======================= q-point: ( 0.63 0.58 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.994 ( 3.098 34.925 -4.216) 35.315 4.378 ( 12.557 17.205 -1.339) 21.342 6.404 ( -3.123 21.670 0.213) 21.895 9.085 ( 4.115 4.566 0.867) 6.207 10.159 ( 0.111 5.536 0.361) 5.549 10.620 ( -2.885 -1.968 1.034) 3.642 11.185 ( 3.007 -4.486 -0.277) 5.408 12.021 ( -3.262 -17.533 -0.302) 17.837 12.243 ( -2.265 -1.035 -0.019) 2.490 ======================= Grid point 2033 (607/670) ======================= q-point: (-0.32 -0.42 -0.74) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.372 ( 5.488 30.090 -3.229) 30.756 4.805 ( 20.007 13.372 -1.088) 24.089 6.506 ( -5.903 15.711 0.268) 16.786 9.233 ( 7.650 5.014 0.727) 9.175 10.187 ( -0.657 0.739 0.087) 0.993 10.551 ( -4.135 -0.560 0.749) 4.239 11.209 ( 4.410 -3.481 -0.211) 5.622 11.794 ( -5.488 -13.452 -0.327) 14.532 12.177 ( -4.173 -1.379 0.227) 4.401 ======================= Grid point 2051 (608/670) ======================= q-point: (-0.37 -0.37 -0.74) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.286 ( -0.000 32.476 -4.336) 32.764 4.419 ( -0.000 14.430 -1.631) 14.522 6.625 ( -0.000 17.483 0.410) 17.488 9.090 ( -0.000 3.623 1.080) 3.781 10.198 ( -0.000 2.127 0.096) 2.129 10.638 ( -0.000 -0.441 1.090) 1.176 11.113 ( 0.000 -4.207 -0.463) 4.232 11.891 ( 0.000 -14.341 -0.388) 14.346 12.255 ( 0.000 -0.827 0.291) 0.877 ======================= Grid point 2052 (609/670) ======================= q-point: (-0.32 -0.37 -0.74) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.582 ( 2.208 26.865 -3.715) 27.210 4.646 ( 11.731 12.169 -1.709) 16.988 6.736 ( -4.289 12.786 0.539) 13.497 9.167 ( 4.873 3.341 1.071) 6.005 10.195 ( -0.702 -1.795 -0.250) 1.943 10.616 ( -2.948 0.525 0.888) 3.124 11.105 ( 3.459 -3.413 -0.460) 4.881 11.747 ( -2.742 -10.187 -0.355) 10.555 12.226 ( -2.594 -0.788 0.542) 2.765 ======================= Grid point 2071 (610/670) ======================= q-point: (-0.32 -0.32 -0.74) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.629 ( -0.000 8.415 -1.833) 8.612 4.811 ( -0.000 23.460 -3.877) 23.779 6.884 ( -0.000 9.361 0.764) 9.393 9.154 ( -0.000 2.296 1.236) 2.607 10.171 ( 0.000 -4.123 -0.633) 4.172 10.653 ( -0.000 0.947 0.875) 1.289 11.041 ( 0.000 -2.845 -0.632) 2.914 11.688 ( 0.000 -6.591 -0.282) 6.598 12.245 ( -0.000 -0.379 0.804) 0.889 ======================= Grid point 2292 (611/670) ======================= q-point: ( 0.32 0.32 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 670 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.668 ( -0.000 0.000 9.281) 9.281 0.668 ( -0.000 0.000 9.281) 9.281 0.913 ( -0.000 0.000 11.593) 11.593 8.543 ( 0.000 -0.000 -1.395) 1.395 8.543 ( 0.000 -0.000 -1.395) 1.395 11.542 ( -0.000 0.000 0.463) 0.463 11.542 ( -0.000 0.000 0.463) 0.463 12.184 ( 0.000 -0.000 -1.189) 1.189 14.098 ( -0.000 0.000 0.640) 0.640 ======================= Grid point 2293 (612/670) ======================= q-point: ( 0.37 0.32 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.938 ( 1.797 1.038 9.699) 9.919 1.036 ( 26.513 15.307 6.213) 31.239 1.479 ( 49.349 28.492 2.830) 57.054 8.567 ( 2.162 1.248 -1.478) 2.901 8.621 ( 7.363 4.251 -0.924) 8.552 11.508 ( -3.548 -2.049 0.045) 4.098 11.533 ( -0.897 -0.518 0.463) 1.135 12.190 ( 0.921 0.532 -1.161) 1.575 14.021 ( -6.857 -3.959 0.882) 7.967 ======================= Grid point 2294 (613/670) ======================= q-point: ( 0.42 0.32 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( 10.693 6.173 5.114) 13.364 1.709 ( 30.831 17.800 3.919) 35.816 2.629 ( 51.314 29.626 0.537) 59.255 8.629 ( 3.657 2.111 -1.548) 4.497 8.850 ( 12.740 7.356 -0.049) 14.711 11.381 ( -7.490 -4.324 0.015) 8.648 11.504 ( -1.815 -1.048 0.453) 2.145 12.217 ( 1.695 0.979 -1.240) 2.317 13.808 ( -12.169 -7.026 0.860) 14.078 ======================= Grid point 2295 (614/670) ======================= q-point: ( 0.47 0.32 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.472 ( 23.049 13.307 1.774) 26.673 2.401 ( 29.741 17.171 2.931) 34.467 3.739 ( 47.538 27.446 -0.503) 54.894 8.718 ( 4.617 2.665 -1.580) 5.560 9.169 ( 15.249 8.804 0.730) 17.623 11.189 ( -9.335 -5.389 0.090) 10.779 11.454 ( -2.792 -1.612 0.442) 3.254 12.251 ( 1.489 0.860 -1.174) 2.082 13.490 ( -16.350 -9.439 0.686) 18.891 ======================= Grid point 2296 (615/670) ======================= q-point: ( 0.53 0.32 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.087 ( 30.789 17.776 0.888) 35.563 3.042 ( 26.741 15.439 2.455) 30.975 4.733 ( 41.257 23.820 -1.017) 47.650 8.822 ( 4.969 2.869 -1.560) 5.946 9.515 ( 15.133 8.737 1.184) 17.514 10.981 ( -9.008 -5.201 0.056) 10.402 11.382 ( -3.693 -2.132 0.439) 4.287 12.274 ( 0.797 0.460 -1.031) 1.382 13.092 ( -19.062 -11.006 0.567) 22.018 ======================= Grid point 2297 (616/670) ======================= q-point: ( 0.58 0.32 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.817 ( 33.513 19.349 1.337) 38.721 3.602 ( 22.607 13.052 2.203) 26.197 5.564 ( 33.122 19.123 -1.191) 38.265 8.927 ( 4.758 2.747 -1.493) 5.693 9.835 ( 12.764 7.369 1.305) 14.797 10.801 ( -6.785 -3.917 -0.081) 7.835 11.294 ( -4.281 -2.471 0.457) 4.964 12.280 ( 0.008 0.005 -0.866) 0.866 12.656 ( -19.722 -11.387 0.461) 22.778 ======================= Grid point 2298 (617/670) ======================= q-point: ( 0.63 0.32 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.565 ( 32.395 18.703 2.271) 37.475 4.060 ( 17.734 10.239 2.046) 20.579 6.199 ( 23.938 13.820 -1.120) 27.664 9.023 ( 4.099 2.366 -1.400) 4.936 10.077 ( 8.236 4.755 1.171) 9.582 10.686 ( -3.385 -1.954 -0.328) 3.922 11.198 ( -4.315 -2.491 0.502) 5.008 12.223 ( -15.429 -8.908 0.696) 17.829 12.282 ( -2.788 -1.610 -1.082) 3.397 ======================= Grid point 2299 (618/670) ======================= q-point: ( 0.68 0.32 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.254 ( 28.014 16.174 3.244) 32.510 4.403 ( 12.504 7.219 1.928) 14.566 6.630 ( 15.134 8.737 -0.922) 17.499 9.100 ( 3.134 1.809 -1.307) 3.848 10.195 ( 1.848 1.067 0.905) 2.318 10.645 ( -0.335 -0.194 -0.664) 0.769 11.109 ( -3.681 -2.125 0.567) 4.288 11.888 ( -12.390 -7.154 0.399) 14.313 12.259 ( -0.666 -0.384 -0.822) 1.126 ======================= Grid point 2312 (619/670) ======================= q-point: ( 0.37 0.37 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.968 ( -0.000 2.702 8.617) 9.030 1.099 ( -0.000 31.244 4.355) 31.546 1.456 ( -0.000 56.044 3.529) 56.155 8.550 ( 0.000 1.846 -1.060) 2.129 8.631 ( -0.000 9.142 -1.193) 9.220 11.506 ( 0.000 -4.299 0.135) 4.301 11.536 ( -0.000 -0.938 0.385) 1.014 12.187 ( 0.000 1.066 -1.075) 1.514 14.023 ( 0.000 -7.855 0.792) 7.895 ======================= Grid point 2313 (620/670) ======================= q-point: ( 0.42 0.37 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.056 ( 3.493 8.189 5.149) 10.285 1.577 ( 16.294 32.780 3.183) 36.745 2.298 ( 30.448 49.964 1.278) 58.524 8.595 ( 2.586 2.740 -1.090) 3.922 8.784 ( 6.129 12.127 -0.542) 13.599 11.418 ( -3.848 -7.049 0.084) 8.031 11.520 ( -0.797 -1.141 0.362) 1.438 12.204 ( 0.853 1.531 -1.090) 2.064 13.880 ( -6.283 -10.820 0.773) 12.536 ======================= Grid point 2314 (621/670) ======================= q-point: ( 0.47 0.37 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.323 ( 13.279 17.142 1.953) 21.771 2.220 ( 21.270 30.835 2.538) 37.545 3.325 ( 38.116 40.147 -0.079) 55.359 8.676 ( 3.672 3.755 -1.247) 5.398 9.053 ( 10.884 12.921 0.315) 16.897 11.251 ( -6.521 -8.778 0.120) 10.936 11.488 ( -2.028 -0.980 0.358) 2.281 12.233 ( 1.218 1.135 -1.041) 1.963 13.616 ( -11.384 -13.090 0.625) 17.359 ======================= Grid point 2315 (622/670) ======================= q-point: ( 0.53 0.37 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.833 ( 23.050 22.897 0.843) 32.500 2.871 ( 20.643 28.633 2.174) 35.365 4.316 ( 38.218 31.336 -0.739) 49.428 8.779 ( 4.095 4.585 -1.325) 6.289 9.380 ( 12.950 12.069 0.868) 17.723 11.046 ( -7.240 -9.024 0.082) 11.569 11.435 ( -3.458 -0.717 0.351) 3.549 12.256 ( 1.066 0.157 -0.895) 1.401 13.258 ( -15.171 -14.608 0.499) 21.067 ======================= Grid point 2316 (623/670) ======================= q-point: ( 0.58 0.37 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.508 ( 28.686 24.530 1.219) 37.764 3.465 ( 17.607 26.098 1.963) 31.543 5.189 ( 34.330 23.042 -0.982) 41.358 8.891 ( 3.900 5.163 -1.319) 6.603 9.707 ( 12.509 10.027 1.047) 16.065 10.849 ( -6.036 -7.927 -0.056) 9.964 11.361 ( -4.737 -0.446 0.349) 4.771 12.265 ( 0.719 -0.928 -0.725) 1.379 12.840 ( -17.239 -15.107 0.424) 22.926 ======================= Grid point 2317 (624/670) ======================= q-point: ( 0.63 0.37 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.246 ( 30.275 23.405 2.153) 38.328 3.969 ( 13.353 23.065 1.821) 26.714 5.894 ( 27.899 15.129 -0.942) 31.751 8.999 ( 3.142 5.538 -1.255) 6.489 9.983 ( 9.773 6.968 0.917) 12.038 10.702 ( -3.310 -5.811 -0.297) 6.694 11.272 ( -5.487 -0.124 0.366) 5.501 12.258 ( 0.180 -2.002 -0.478) 2.066 12.409 ( -16.748 -14.086 0.268) 21.886 ======================= Grid point 2318 (625/670) ======================= q-point: ( 0.68 0.37 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.963 ( 28.394 20.335 3.142) 35.066 4.365 ( 8.547 19.606 1.701) 21.456 6.408 ( 20.321 8.090 -0.739) 21.885 9.093 ( 1.945 5.767 -1.164) 6.197 10.158 ( 4.786 2.886 0.600) 5.621 10.627 ( -0.142 -3.531 -0.625) 3.589 11.182 ( -5.459 0.405 0.406) 5.489 12.017 ( -13.565 -11.577 0.438) 17.839 12.246 ( 0.282 -2.467 -0.600) 2.555 ======================= Grid point 2332 (626/670) ======================= q-point: ( 0.42 0.42 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( -0.000 13.332 2.771) 13.617 1.776 ( -0.000 35.499 1.456) 35.529 2.604 ( -0.000 58.968 1.472) 58.986 8.601 ( -0.000 3.776 -0.560) 3.817 8.866 ( -0.000 15.123 -0.665) 15.138 11.376 ( 0.000 -8.837 0.222) 8.840 11.509 ( 0.000 -2.017 0.261) 2.034 12.212 ( 0.000 1.961 -1.015) 2.208 13.814 ( 0.000 -14.006 0.646) 14.021 ======================= Grid point 2333 (627/670) ======================= q-point: ( 0.47 0.42 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.355 ( 5.934 21.524 0.285) 22.329 2.250 ( 13.969 34.560 1.021) 37.291 3.312 ( 16.782 52.636 0.588) 55.249 8.662 ( 2.416 4.532 -0.505) 5.161 9.062 ( 5.023 16.238 -0.156) 16.998 11.248 ( -4.028 -10.251 0.289) 11.017 11.490 ( 0.007 -2.167 0.229) 2.179 12.231 ( 0.325 1.653 -0.925) 1.921 13.619 ( -5.716 -16.346 0.493) 17.324 ======================= Grid point 2334 (628/670) ======================= q-point: ( 0.53 0.42 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.766 ( 14.376 27.729 -0.566) 31.240 2.863 ( 18.281 33.384 1.052) 38.076 4.126 ( 24.563 41.678 -0.191) 48.378 8.760 ( 3.667 5.400 -0.660) 6.561 9.332 ( 8.525 15.295 0.422) 17.515 11.060 ( -5.935 -10.652 0.255) 12.196 11.465 ( -1.022 -1.651 0.226) 1.955 12.244 ( 0.265 0.520 -0.774) 0.970 13.317 ( -10.371 -17.846 0.366) 20.644 ======================= Grid point 2335 (629/670) ======================= q-point: ( 0.58 0.42 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.350 ( 21.446 29.653 0.010) 36.595 3.483 ( 16.533 32.440 1.148) 36.428 4.910 ( 27.121 29.882 -0.605) 40.359 8.880 ( 3.927 6.382 -0.796) 7.536 9.629 ( 9.945 12.820 0.718) 16.241 10.860 ( -5.736 -9.780 0.128) 11.339 11.423 ( -2.683 -0.847 0.214) 2.822 12.244 ( 0.176 -1.008 -0.591) 1.182 12.939 ( -13.594 -18.376 0.294) 22.860 ======================= Grid point 2336 (630/670) ======================= q-point: ( 0.63 0.42 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.031 ( 25.372 28.303 1.153) 38.028 4.035 ( 12.051 30.832 1.199) 33.125 5.591 ( 25.885 18.722 -0.679) 31.953 9.007 ( 3.377 7.376 -0.847) 8.156 9.902 ( 9.158 9.289 0.670) 13.062 10.693 ( -3.789 -7.764 -0.100) 8.640 11.360 ( -4.305 0.007 0.198) 4.310 12.228 ( 0.202 -2.524 -0.386) 2.561 12.522 ( -14.852 -17.666 0.238) 23.081 ======================= Grid point 2337 (631/670) ======================= q-point: ( 0.68 0.42 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.729 ( 25.991 24.827 2.334) 36.019 4.481 ( 6.684 27.978 1.177) 28.789 6.127 ( 21.931 9.355 -0.513) 23.849 9.128 ( 2.179 8.311 -0.816) 8.630 10.103 ( 6.071 4.855 0.354) 7.781 10.589 ( -0.901 -5.354 -0.424) 5.445 11.284 ( -5.258 0.918 0.193) 5.341 12.115 ( -13.127 -15.117 0.376) 20.024 12.207 ( 0.086 -3.970 -0.382) 3.989 ======================= Grid point 2352 (632/670) ======================= q-point: ( 0.47 0.47 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.539 ( -0.000 27.368 -1.664) 27.419 2.460 ( -0.000 34.216 -0.024) 34.216 3.717 ( -0.000 54.767 0.651) 54.771 8.686 ( -0.000 5.095 -0.002) 5.095 9.187 ( -0.000 17.766 -0.215) 17.768 11.182 ( 0.000 -10.991 0.460) 11.000 11.460 ( 0.000 -3.156 0.110) 3.158 12.244 ( 0.000 1.741 -0.799) 1.915 13.496 ( 0.000 -18.827 0.332) 18.830 ======================= Grid point 2353 (633/670) ======================= q-point: ( 0.53 0.47 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.879 ( 6.614 32.390 -2.431) 33.148 2.904 ( 13.506 32.400 -0.239) 35.103 4.302 ( 8.397 48.646 0.300) 49.367 8.760 ( 2.470 5.598 0.087) 6.120 9.391 ( 3.689 17.316 0.063) 17.705 11.041 ( -3.929 -10.990 0.484) 11.681 11.438 ( 0.984 -3.297 0.082) 3.442 12.253 ( -0.430 1.021 -0.644) 1.281 13.262 ( -5.132 -20.378 0.197) 21.015 ======================= Grid point 2354 (634/670) ======================= q-point: ( 0.58 0.47 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.366 ( 13.314 34.287 -1.844) 36.827 3.493 ( 19.015 30.883 -0.071) 36.267 4.905 ( 12.655 38.276 -0.033) 40.314 8.874 ( 4.045 6.366 -0.043) 7.542 9.632 ( 5.953 15.072 0.329) 16.208 10.858 ( -5.354 -10.012 0.372) 11.360 11.424 ( 0.540 -2.718 0.089) 2.772 12.243 ( -0.993 -0.337 -0.460) 1.145 12.940 ( -9.200 -20.906 0.114) 22.841 ======================= Grid point 2355 (635/670) ======================= q-point: ( 0.63 0.47 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.959 ( 18.463 32.959 -0.548) 37.782 4.101 ( 17.238 30.285 0.207) 34.848 5.449 ( 14.999 25.802 -0.215) 29.845 9.013 ( 4.470 7.492 -0.205) 8.727 9.870 ( 6.584 11.436 0.368) 13.201 10.685 ( -4.539 -8.028 0.159) 9.223 11.400 ( -0.998 -1.703 0.078) 1.975 12.212 ( -1.166 -2.005 -0.253) 2.333 12.562 ( -11.727 -20.248 0.072) 23.399 ======================= Grid point 2356 (636/670) ======================= q-point: ( 0.68 0.47 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.598 ( 21.123 29.291 0.870) 36.124 4.632 ( 10.873 29.368 0.444) 31.319 5.902 ( 16.231 13.818 -0.211) 21.317 9.162 ( 3.814 8.849 -0.297) 9.641 10.062 ( 5.324 6.744 0.121) 8.593 10.561 ( -2.339 -5.648 -0.149) 6.116 11.358 ( -2.736 -0.425 0.049) 2.770 12.155 ( -6.010 -10.296 0.113) 11.922 12.184 ( -6.874 -11.464 -0.094) 13.367 ======================= Grid point 2372 (637/670) ======================= q-point: ( 0.53 0.53 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.148 ( -0.000 36.111 -3.508) 36.281 3.088 ( -0.000 30.795 -0.896) 30.808 4.714 ( -0.000 47.598 0.364) 47.599 8.793 ( -0.000 5.655 0.509) 5.678 9.532 ( -0.000 17.465 -0.006) 17.465 10.972 ( 0.000 -10.604 0.661) 10.625 11.389 ( 0.000 -4.199 -0.053) 4.200 12.266 ( 0.000 0.921 -0.486) 1.042 13.099 ( 0.000 -21.958 0.041) 21.958 ======================= Grid point 2373 (638/670) ======================= q-point: ( 0.58 0.53 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.548 ( 5.948 37.667 -3.363) 38.281 3.491 ( 13.362 28.343 -1.002) 31.351 5.178 ( 2.895 41.245 0.291) 41.348 8.874 ( 2.787 5.882 0.589) 6.535 9.716 ( 2.355 15.794 0.068) 15.969 10.843 ( -3.650 -9.353 0.633) 10.060 11.365 ( 1.884 -4.280 -0.076) 4.677 12.262 ( -1.175 0.155 -0.304) 1.224 12.845 ( -4.512 -22.441 -0.067) 22.891 ======================= Grid point 2374 (639/670) ======================= q-point: ( 0.63 0.53 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.046 ( 11.096 36.500 -2.306) 38.219 4.043 ( 20.369 25.934 -0.798) 32.986 5.588 ( 3.360 31.765 0.240) 31.943 9.001 ( 4.891 6.551 0.469) 8.189 9.904 ( 3.441 12.549 0.073) 13.012 10.690 ( -4.692 -7.252 0.438) 8.649 11.361 ( 2.116 -3.709 -0.050) 4.270 12.227 ( -2.290 -1.080 -0.105) 2.534 12.524 ( -7.921 -21.679 -0.121) 23.081 ======================= Grid point 2392 (640/670) ======================= q-point: ( 0.58 0.58 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.863 ( -0.000 39.095 -3.894) 39.288 3.634 ( -0.000 26.058 -1.439) 26.098 5.550 ( -0.000 38.251 0.400) 38.253 8.906 ( -0.000 5.487 0.909) 5.562 9.846 ( -0.000 14.681 -0.044) 14.681 10.794 ( 0.000 -7.984 0.789) 8.023 11.300 ( 0.000 -4.883 -0.226) 4.888 12.274 ( 0.000 0.011 -0.117) 0.118 12.662 ( 0.000 -22.783 -0.205) 22.784 ======================= Grid point 2393 (641/670) ======================= q-point: (-0.37 -0.42 -0.68) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.270 ( 4.745 38.168 -3.435) 38.615 3.983 ( 13.126 23.097 -1.458) 26.606 5.888 ( -0.817 31.745 0.472) 31.759 8.989 ( 3.327 5.480 0.951) 6.481 9.987 ( 1.145 11.904 -0.142) 11.960 10.698 ( -3.274 -5.858 0.690) 6.746 11.275 ( 2.576 -4.784 -0.240) 5.439 12.256 ( -1.810 -0.757 0.065) 1.963 12.411 ( -3.859 -21.646 -0.257) 21.989 ======================= Grid point 2412 (642/670) ======================= q-point: (-0.37 -0.37 -0.68) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.590 ( -0.000 37.610 -3.670) 37.789 4.076 ( -0.000 20.457 -1.765) 20.533 6.191 ( -0.000 27.657 0.631) 27.664 9.012 ( -0.000 4.743 1.173) 4.886 10.083 ( -0.000 9.488 -0.336) 9.494 10.681 ( 0.000 -3.986 0.788) 4.063 11.202 ( 0.000 -4.944 -0.404) 4.960 12.228 ( 0.000 -17.876 -0.479) 17.883 12.275 ( 0.000 -3.209 0.423) 3.237 ======================= Grid point 2674 (643/670) ======================= q-point: ( 0.37 0.37 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 670 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.737 ( -0.000 0.000 6.978) 6.978 0.737 ( -0.000 0.000 6.978) 6.978 0.998 ( -0.000 0.000 8.498) 8.498 8.532 ( 0.000 -0.000 -1.164) 1.164 8.532 ( 0.000 -0.000 -1.164) 1.164 11.546 ( -0.000 0.000 0.389) 0.389 11.546 ( -0.000 0.000 0.389) 0.389 12.175 ( 0.000 -0.000 -0.945) 0.945 14.103 ( -0.000 0.000 0.507) 0.507 ======================= Grid point 2675 (644/670) ======================= q-point: ( 0.42 0.37 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.010 ( 0.750 0.433 7.072) 7.125 1.084 ( 25.552 14.752 5.042) 29.933 1.499 ( 48.289 27.880 1.767) 55.787 8.556 ( 2.102 1.213 -1.271) 2.740 8.614 ( 7.606 4.391 -0.628) 8.805 11.508 ( -3.665 -2.116 0.079) 4.232 11.537 ( -0.890 -0.514 0.381) 1.096 12.181 ( 0.875 0.505 -0.859) 1.327 14.027 ( -6.767 -3.907 0.620) 7.839 ======================= Grid point 2676 (645/670) ======================= q-point: ( 0.47 0.37 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.120 ( 9.455 5.459 3.896) 11.592 1.740 ( 30.418 17.562 3.333) 35.282 2.631 ( 50.900 29.387 0.069) 58.774 8.616 ( 3.611 2.085 -1.352) 4.383 8.850 ( 13.024 7.520 0.129) 15.040 11.381 ( -7.468 -4.312 -0.026) 8.623 11.508 ( -1.810 -1.045 0.364) 2.122 12.208 ( 1.653 0.954 -0.843) 2.086 13.814 ( -12.188 -7.037 0.593) 14.086 ======================= Grid point 2677 (646/670) ======================= q-point: ( 0.53 0.37 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.489 ( 22.481 12.980 2.064) 26.041 2.424 ( 29.561 17.067 2.550) 34.229 3.734 ( 47.334 27.328 -0.628) 54.660 8.705 ( 4.591 2.651 -1.381) 5.478 9.175 ( 15.446 8.918 0.677) 17.848 11.189 ( -9.328 -5.386 -0.067) 10.771 11.457 ( -2.785 -1.608 0.349) 3.234 12.243 ( 1.487 0.858 -0.725) 1.863 13.494 ( -16.372 -9.452 0.467) 18.910 ======================= Grid point 2678 (647/670) ======================= q-point: ( 0.58 0.37 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.100 ( 30.738 17.747 2.020) 35.551 3.062 ( 26.659 15.392 2.155) 30.859 4.725 ( 41.161 23.764 -0.870) 47.536 8.809 ( 4.963 2.865 -1.350) 5.887 9.524 ( 15.227 8.792 0.855) 17.604 10.980 ( -9.028 -5.212 -0.212) 10.427 11.386 ( -3.679 -2.124 0.344) 4.262 12.267 ( 0.799 0.461 -0.553) 1.075 13.096 ( -19.068 -11.009 0.391) 22.021 ======================= Grid point 2679 (648/670) ======================= q-point: ( 0.63 0.37 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.835 ( 33.654 19.430 2.773) 38.959 3.619 ( 22.570 13.031 1.926) 26.132 5.555 ( 33.097 19.108 -0.832) 38.226 8.915 ( 4.764 2.750 -1.272) 5.646 9.843 ( 12.782 7.380 0.704) 14.776 10.799 ( -6.830 -3.943 -0.459) 7.900 11.297 ( -4.257 -2.458 0.361) 4.929 12.275 ( 0.019 0.011 -0.385) 0.385 12.659 ( -19.749 -11.402 0.345) 22.806 ======================= Grid point 2694 (649/670) ======================= q-point: ( 0.42 0.42 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.030 ( -0.000 1.259 5.924) 6.056 1.129 ( -0.000 30.035 2.657) 30.152 1.482 ( -0.000 55.095 2.641) 55.158 8.543 ( -0.000 1.951 -0.652) 2.057 8.621 ( -0.000 9.250 -0.991) 9.303 11.507 ( 0.000 -4.378 0.164) 4.381 11.539 ( 0.000 -0.958 0.265) 0.994 12.179 ( 0.000 1.016 -0.748) 1.262 14.029 ( 0.000 -7.771 0.522) 7.789 ======================= Grid point 2695 (650/670) ======================= q-point: ( 0.47 0.42 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.092 ( 3.098 6.652 3.286) 8.040 1.600 ( 16.726 31.881 2.085) 36.062 2.307 ( 29.761 49.786 0.802) 58.009 8.587 ( 2.328 2.906 -0.720) 3.792 8.780 ( 6.486 12.212 -0.377) 13.833 11.419 ( -3.892 -6.988 0.077) 7.999 11.523 ( -0.763 -1.169 0.241) 1.417 12.196 ( 0.831 1.475 -0.688) 1.827 13.885 ( -6.276 -10.831 0.478) 12.527 ======================= Grid point 2696 (651/670) ======================= q-point: ( 0.53 0.42 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.338 ( 13.193 16.078 1.560) 20.856 2.239 ( 21.508 30.318 1.859) 37.219 3.324 ( 37.751 40.130 -0.254) 55.096 8.667 ( 3.458 3.911 -0.918) 5.300 9.055 ( 11.177 12.966 0.306) 17.121 11.252 ( -6.568 -8.701 0.015) 10.902 11.490 ( -1.995 -1.007 0.236) 2.247 12.226 ( 1.219 1.115 -0.576) 1.749 13.620 ( -11.387 -13.124 0.365) 17.380 ======================= Grid point 2697 (652/670) ======================= q-point: ( 0.58 0.42 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.844 ( 23.357 22.346 1.558) 32.362 2.887 ( 20.796 28.328 1.690) 35.182 4.310 ( 38.047 31.344 -0.645) 49.299 8.769 ( 3.953 4.708 -1.010) 6.230 9.386 ( 13.102 12.084 0.600) 17.833 11.046 ( -7.314 -8.958 -0.125) 11.566 11.437 ( -3.426 -0.743 0.226) 3.513 12.251 ( 1.077 0.149 -0.398) 1.158 13.262 ( -15.159 -14.631 0.285) 21.070 ======================= Grid point 2698 (653/670) ======================= q-point: ( 0.63 0.42 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.524 ( 29.116 24.220 2.428) 37.951 3.480 ( 17.717 25.899 1.568) 31.419 5.182 ( 34.272 23.064 -0.665) 41.315 8.881 ( 3.811 5.261 -1.009) 6.574 9.714 ( 12.543 10.018 0.511) 16.060 10.848 ( -6.138 -7.871 -0.363) 9.988 11.363 ( -4.696 -0.477 0.224) 4.725 12.261 ( 0.724 -0.932 -0.216) 1.200 12.843 ( -17.222 -15.126 0.256) 22.923 ======================= Grid point 2714 (654/670) ======================= q-point: ( 0.47 0.47 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.156 ( -0.000 11.585 1.192) 11.647 1.784 ( -0.000 35.073 0.192) 35.073 2.616 ( -0.000 58.591 1.203) 58.603 8.598 ( -0.000 3.882 -0.047) 3.882 8.860 ( -0.000 15.305 -0.630) 15.318 11.378 ( 0.000 -8.751 0.212) 8.753 11.511 ( 0.000 -2.040 0.112) 2.043 12.205 ( -0.000 1.911 -0.581) 1.998 13.818 ( 0.000 -14.041 0.345) 14.045 ======================= Grid point 2715 (655/670) ======================= q-point: ( 0.53 0.47 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.355 ( 6.150 20.237 -0.359) 21.154 2.255 ( 14.398 34.167 0.051) 37.077 3.317 ( 16.437 52.525 0.515) 55.039 8.659 ( 2.187 4.673 -0.023) 5.159 9.060 ( 5.259 16.347 -0.241) 17.174 11.250 ( -4.086 -10.152 0.210) 10.946 11.492 ( 0.043 -2.191 0.081) 2.192 12.225 ( 0.330 1.629 -0.448) 1.722 13.622 ( -5.710 -16.393 0.214) 17.360 ======================= Grid point 2716 (656/670) ======================= q-point: ( 0.58 0.47 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.762 ( 14.990 26.941 -0.196) 30.831 2.869 ( 18.717 33.012 0.368) 37.950 4.125 ( 24.260 41.723 -0.067) 48.264 8.757 ( 3.404 5.566 -0.230) 6.529 9.335 ( 8.738 15.317 0.144) 17.635 11.062 ( -6.023 -10.561 0.089) 12.158 11.466 ( -0.989 -1.672 0.079) 1.944 12.240 ( 0.281 0.508 -0.266) 0.638 13.319 ( -10.349 -17.884 0.125) 20.663 ======================= Grid point 2717 (657/670) ======================= q-point: ( 0.63 0.47 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.354 ( 22.193 29.102 0.981) 36.612 3.490 ( 16.865 32.144 0.644) 36.305 4.906 ( 26.949 29.959 -0.299) 40.297 8.875 ( 3.715 6.538 -0.398) 7.530 9.633 ( 10.042 12.801 0.202) 16.271 10.860 ( -5.853 -9.697 -0.129) 11.327 11.424 ( -2.655 -0.869 0.066) 2.794 12.241 ( 0.192 -1.017 -0.067) 1.038 12.940 ( -13.557 -18.407 0.094) 22.861 ======================= Grid point 2734 (658/670) ======================= q-point: ( 0.53 0.53 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.524 ( -0.000 26.376 -1.980) 26.450 2.455 ( -0.000 34.068 -0.990) 34.083 3.722 ( -0.000 54.590 0.701) 54.595 8.689 ( -0.000 5.177 0.528) 5.204 9.184 ( -0.000 17.919 -0.416) 17.924 11.186 ( 0.000 -10.884 0.363) 10.891 11.461 ( 0.000 -3.180 -0.050) 3.181 12.239 ( -0.000 1.728 -0.305) 1.755 13.498 ( 0.000 -18.876 0.062) 18.876 ======================= Grid point 2735 (659/670) ======================= q-point: ( 0.58 0.53 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.859 ( 7.090 31.742 -2.106) 32.593 2.899 ( 13.800 32.245 -1.014) 35.088 4.305 ( 8.247 48.580 0.493) 49.278 8.763 ( 2.290 5.694 0.577) 6.165 9.390 ( 3.815 17.411 -0.282) 17.826 11.044 ( -4.010 -10.885 0.322) 11.605 11.438 ( 1.026 -3.319 -0.075) 3.475 12.250 ( -0.421 1.014 -0.130) 1.105 13.263 ( -5.114 -20.421 -0.047) 21.052 ======================= Grid point 2754 (660/670) ======================= q-point: (-0.42 -0.42 -0.63) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.121 ( -0.000 35.689 -2.924) 35.809 3.078 ( -0.000 30.754 -1.610) 30.797 4.718 ( -0.000 47.514 0.644) 47.518 8.799 ( -0.000 5.703 0.982) 5.787 9.530 ( -0.000 17.580 -0.450) 17.586 10.977 ( 0.000 -10.495 0.460) 10.505 11.388 ( 0.000 -4.226 -0.209) 4.231 12.264 ( -0.000 0.923 0.032) 0.924 13.099 ( 0.000 -21.999 -0.183) 22.000 ======================= Grid point 3057 (661/670) ======================= q-point: ( 0.42 0.42 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 670 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.785 ( -0.000 0.000 4.337) 4.337 0.785 ( -0.000 0.000 4.337) 4.337 1.056 ( -0.000 0.000 5.186) 5.186 8.524 ( 0.000 -0.000 -0.773) 0.773 8.524 ( 0.000 -0.000 -0.773) 0.773 11.549 ( -0.000 0.000 0.259) 0.259 11.549 ( -0.000 0.000 0.259) 0.259 12.168 ( 0.000 -0.000 -0.607) 0.607 14.107 ( -0.000 0.000 0.325) 0.325 ======================= Grid point 3058 (662/670) ======================= q-point: ( 0.47 0.42 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( 0.085 0.049 3.983) 3.984 1.120 ( 25.042 14.458 3.376) 29.113 1.509 ( 47.635 27.502 0.619) 55.008 8.546 ( 2.014 1.163 -0.895) 2.492 8.611 ( 7.810 4.509 -0.228) 9.021 11.509 ( -3.753 -2.167 0.039) 4.333 11.539 ( -0.879 -0.508 0.245) 1.044 12.175 ( 0.852 0.492 -0.484) 1.097 14.031 ( -6.710 -3.874 0.341) 7.756 ======================= Grid point 3059 (663/670) ======================= q-point: ( 0.53 0.42 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.146 ( 8.935 5.158 2.316) 10.574 1.765 ( 30.197 17.434 2.361) 34.948 2.630 ( 50.656 29.246 -0.399) 58.494 8.607 ( 3.542 2.045 -0.983) 4.206 8.852 ( 13.218 7.631 0.325) 15.266 11.381 ( -7.482 -4.320 -0.091) 8.640 11.510 ( -1.800 -1.039 0.226) 2.090 12.203 ( 1.631 0.941 -0.383) 1.921 13.818 ( -12.190 -7.038 0.292) 14.078 ======================= Grid point 3060 (664/670) ======================= q-point: ( 0.58 0.42 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.506 ( 22.414 12.941 2.125) 25.968 2.443 ( 29.479 17.019 1.871) 34.090 3.728 ( 47.244 27.276 -0.693) 54.557 8.695 ( 4.545 2.624 -1.013) 5.345 9.180 ( 15.540 8.972 0.572) 17.953 11.188 ( -9.361 -5.404 -0.226) 10.811 11.460 ( -2.772 -1.600 0.211) 3.208 12.239 ( 1.489 0.860 -0.217) 1.733 13.497 ( -16.371 -9.452 0.212) 18.904 ======================= Grid point 3077 (665/670) ======================= q-point: ( 0.47 0.47 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.067 ( -0.000 0.273 2.782) 2.796 1.144 ( -0.000 29.216 0.677) 29.224 1.500 ( -0.000 54.672 1.610) 54.696 8.540 ( -0.000 2.075 -0.143) 2.079 8.614 ( -0.000 9.265 -0.650) 9.287 11.508 ( 0.000 -4.410 0.120) 4.411 11.540 ( 0.000 -0.979 0.105) 0.984 12.174 ( -0.000 0.988 -0.356) 1.050 14.032 ( 0.000 -7.726 0.239) 7.730 ======================= Grid point 3078 (666/670) ======================= q-point: ( 0.53 0.47 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.111 ( 3.079 5.761 1.129) 6.629 1.612 ( 17.406 31.149 0.726) 35.690 2.311 ( 29.132 49.855 0.273) 57.743 8.583 ( 2.013 3.097 -0.251) 3.702 8.778 ( 6.830 12.168 -0.135) 13.955 11.420 ( -3.956 -6.937 0.030) 7.986 11.524 ( -0.722 -1.198 0.085) 1.401 12.192 ( 0.826 1.443 -0.235) 1.679 13.888 ( -6.265 -10.838 0.162) 12.519 ======================= Grid point 3079 (667/670) ======================= q-point: ( 0.58 0.47 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.349 ( 13.596 15.498 1.001) 20.641 2.251 ( 21.894 29.877 0.954) 37.052 3.321 ( 37.461 40.249 -0.401) 54.986 8.661 ( 3.210 4.075 -0.474) 5.209 9.058 ( 11.399 12.899 0.286) 17.217 11.252 ( -6.648 -8.645 -0.102) 10.906 11.492 ( -1.958 -1.034 0.081) 2.216 12.223 ( 1.228 1.103 -0.066) 1.652 13.622 ( -11.372 -13.142 0.079) 17.379 ======================= Grid point 3097 (668/670) ======================= q-point: ( 0.53 0.53 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.159 ( -0.000 10.552 -0.558) 10.567 1.780 ( -0.000 34.853 -1.133) 34.871 2.624 ( -0.000 58.429 0.834) 58.435 8.600 ( -0.000 3.991 0.492) 4.021 8.855 ( -0.000 15.354 -0.505) 15.362 11.380 ( 0.000 -8.684 0.161) 8.686 11.511 ( 0.000 -2.061 -0.059) 2.062 12.202 ( -0.000 1.884 -0.104) 1.887 13.819 ( 0.000 -14.063 0.027) 14.063 ======================= Grid point 3440 (669/670) ======================= q-point: ( 0.47 0.47 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 670 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.809 ( -0.000 0.000 1.472) 1.472 0.809 ( -0.000 0.000 1.472) 1.472 1.085 ( -0.000 0.000 1.743) 1.743 8.519 ( 0.000 -0.000 -0.271) 0.271 8.519 ( 0.000 -0.000 -0.271) 0.271 11.550 ( -0.000 0.000 0.091) 0.091 11.550 ( -0.000 0.000 0.091) 0.091 12.165 ( 0.000 -0.000 -0.209) 0.209 14.109 ( -0.000 0.000 0.112) 0.112 ======================= Grid point 3441 (670/670) ======================= q-point: ( 0.53 0.47 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.98e-04 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.076 ( -0.111 -0.064 0.611) 0.624 1.140 ( 24.968 14.415 1.401) 28.865 1.509 ( 47.337 27.330 -0.517) 54.663 8.541 ( 1.909 1.102 -0.400) 2.240 8.611 ( 7.954 4.592 0.221) 9.187 11.509 ( -3.805 -2.197 -0.040) 4.394 11.541 ( -0.865 -0.499 0.074) 1.001 12.173 ( 0.847 0.489 -0.067) 0.980 14.033 ( -6.685 -3.859 0.052) 7.719 =================== 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 3/61731 10.0 183.351 183.351 148.326 0.000 -0.000 0.000 3/61731 20.0 338.625 338.625 43.775 0.000 -0.000 0.000 3/61731 30.0 378.462 378.462 27.196 0.000 -0.000 0.000 3/61731 40.0 374.025 374.025 19.979 0.000 -0.000 0.000 3/61731 50.0 352.741 352.741 15.846 0.000 -0.000 0.000 3/61731 60.0 325.789 325.789 13.135 0.000 -0.000 0.000 3/61731 70.0 297.454 297.454 11.204 0.000 -0.000 0.000 3/61731 80.0 269.958 269.958 9.751 0.000 -0.000 0.000 3/61731 90.0 244.632 244.632 8.618 0.000 -0.000 0.000 3/61731 100.0 222.090 222.090 7.713 0.000 -0.000 0.000 3/61731 110.0 202.422 202.422 6.975 0.000 -0.000 0.000 3/61731 120.0 185.420 185.420 6.363 0.000 -0.000 0.000 3/61731 130.0 170.760 170.760 5.850 0.000 -0.000 0.000 3/61731 140.0 158.096 158.096 5.413 0.000 -0.000 0.000 3/61731 150.0 147.111 147.111 5.038 0.000 -0.000 0.000 3/61731 160.0 137.529 137.529 4.712 0.000 -0.000 0.000 3/61731 170.0 129.120 129.120 4.426 0.000 -0.000 0.000 3/61731 180.0 121.694 121.694 4.173 0.000 -0.000 0.000 3/61731 190.0 115.095 115.095 3.949 0.000 -0.000 0.000 3/61731 200.0 109.198 109.198 3.748 0.000 -0.000 0.000 3/61731 210.0 103.897 103.897 3.566 0.000 -0.000 0.000 3/61731 220.0 99.108 99.108 3.402 0.000 -0.000 0.000 3/61731 230.0 94.760 94.760 3.253 0.000 -0.000 0.000 3/61731 240.0 90.796 90.796 3.117 0.000 -0.000 0.000 3/61731 250.0 87.165 87.165 2.992 0.000 -0.000 0.000 3/61731 260.0 83.827 83.827 2.876 0.000 -0.000 0.000 3/61731 270.0 80.747 80.747 2.770 0.000 -0.000 0.000 3/61731 280.0 77.896 77.896 2.671 0.000 -0.000 0.000 3/61731 290.0 75.250 75.250 2.579 0.000 -0.000 0.000 3/61731 300.0 72.785 72.785 2.494 0.000 -0.000 0.000 3/61731 310.0 70.484 70.484 2.414 0.000 -0.000 0.000 3/61731 320.0 68.331 68.331 2.339 0.000 -0.000 0.000 3/61731 330.0 66.311 66.311 2.269 0.000 -0.000 0.000 3/61731 340.0 64.412 64.412 2.203 0.000 -0.000 0.000 3/61731 350.0 62.623 62.623 2.140 0.000 -0.000 0.000 3/61731 360.0 60.935 60.935 2.082 0.000 -0.000 0.000 3/61731 370.0 59.339 59.339 2.026 0.000 -0.000 0.000 3/61731 380.0 57.828 57.828 1.973 0.000 -0.000 0.000 3/61731 390.0 56.395 56.395 1.923 0.000 -0.000 0.000 3/61731 400.0 55.033 55.033 1.876 0.000 -0.000 0.000 3/61731 410.0 53.738 53.738 1.831 0.000 -0.000 0.000 3/61731 420.0 52.505 52.505 1.788 0.000 -0.000 0.000 3/61731 430.0 51.328 51.328 1.747 0.000 -0.000 0.000 3/61731 440.0 50.205 50.205 1.708 0.000 -0.000 0.000 3/61731 450.0 49.132 49.132 1.670 0.000 -0.000 0.000 3/61731 460.0 48.105 48.105 1.635 0.000 -0.000 0.000 3/61731 470.0 47.121 47.121 1.600 0.000 -0.000 0.000 3/61731 480.0 46.178 46.178 1.568 0.000 -0.000 0.000 3/61731 490.0 45.272 45.272 1.536 0.000 -0.000 0.000 3/61731 500.0 44.403 44.403 1.506 0.000 -0.000 0.000 3/61731 510.0 43.567 43.567 1.477 0.000 -0.000 0.000 3/61731 520.0 42.763 42.763 1.449 0.000 -0.000 0.000 3/61731 530.0 41.988 41.988 1.422 0.000 -0.000 0.000 3/61731 540.0 41.242 41.242 1.396 0.000 -0.000 0.000 3/61731 550.0 40.523 40.523 1.371 0.000 -0.000 0.000 3/61731 560.0 39.828 39.828 1.347 0.000 -0.000 0.000 3/61731 570.0 39.158 39.158 1.324 0.000 -0.000 0.000 3/61731 580.0 38.510 38.510 1.302 0.000 -0.000 0.000 3/61731 590.0 37.884 37.884 1.280 0.000 -0.000 0.000 3/61731 600.0 37.278 37.278 1.259 0.000 -0.000 0.000 3/61731 610.0 36.692 36.692 1.239 0.000 -0.000 0.000 3/61731 620.0 36.124 36.124 1.219 0.000 -0.000 0.000 3/61731 630.0 35.574 35.574 1.200 0.000 -0.000 0.000 3/61731 640.0 35.041 35.041 1.182 0.000 -0.000 0.000 3/61731 650.0 34.523 34.523 1.164 0.000 -0.000 0.000 3/61731 660.0 34.021 34.021 1.146 0.000 -0.000 0.000 3/61731 670.0 33.534 33.534 1.130 0.000 -0.000 0.000 3/61731 680.0 33.060 33.060 1.113 0.000 -0.000 0.000 3/61731 690.0 32.600 32.600 1.097 0.000 -0.000 0.000 3/61731 700.0 32.153 32.153 1.082 0.000 -0.000 0.000 3/61731 710.0 31.718 31.718 1.067 0.000 -0.000 0.000 3/61731 720.0 31.295 31.295 1.052 0.000 -0.000 0.000 3/61731 730.0 30.883 30.883 1.038 0.000 -0.000 0.000 3/61731 740.0 30.482 30.482 1.024 0.000 -0.000 0.000 3/61731 750.0 30.092 30.092 1.011 0.000 -0.000 0.000 3/61731 760.0 29.711 29.711 0.998 0.000 -0.000 0.000 3/61731 770.0 29.340 29.340 0.985 0.000 -0.000 0.000 3/61731 780.0 28.979 28.979 0.973 0.000 -0.000 0.000 3/61731 790.0 28.626 28.626 0.961 0.000 -0.000 0.000 3/61731 800.0 28.282 28.282 0.949 0.000 -0.000 0.000 3/61731 810.0 27.946 27.946 0.937 0.000 -0.000 0.000 3/61731 820.0 27.618 27.618 0.926 0.000 -0.000 0.000 3/61731 830.0 27.298 27.298 0.915 0.000 -0.000 0.000 3/61731 840.0 26.985 26.985 0.904 0.000 -0.000 0.000 3/61731 850.0 26.679 26.679 0.894 0.000 -0.000 0.000 3/61731 860.0 26.381 26.381 0.884 0.000 -0.000 0.000 3/61731 870.0 26.089 26.089 0.874 0.000 -0.000 0.000 3/61731 880.0 25.803 25.803 0.864 0.000 -0.000 0.000 3/61731 890.0 25.524 25.524 0.854 0.000 -0.000 0.000 3/61731 900.0 25.250 25.250 0.845 0.000 -0.000 0.000 3/61731 910.0 24.983 24.983 0.836 0.000 -0.000 0.000 3/61731 920.0 24.721 24.721 0.827 0.000 -0.000 0.000 3/61731 930.0 24.465 24.465 0.818 0.000 -0.000 0.000 3/61731 940.0 24.214 24.214 0.810 0.000 -0.000 0.000 3/61731 950.0 23.968 23.968 0.801 0.000 -0.000 0.000 3/61731 960.0 23.727 23.727 0.793 0.000 -0.000 0.000 3/61731 970.0 23.491 23.491 0.785 0.000 -0.000 0.000 3/61731 980.0 23.260 23.260 0.777 0.000 -0.000 0.000 3/61731 990.0 23.033 23.033 0.769 0.000 -0.000 0.000 3/61731 1000.0 22.811 22.811 0.762 0.000 -0.000 0.000 3/61731 Thermal conductivity related properties were written into "kappa-m191919.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 18:51:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|