# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/c311c0d1-c159-4c35-a24b-966df6c05f8f/download) ## Creator [Atsushi Togo](https://orcid.org/0000-0001-8393-9766) ## Rights Creative Commons Attribution 4.0 International[Creative Commons BY Attribution 4.0 International](https://creativecommons.org/licenses/by/4.0/) ## Other metadata [First-principles lattice thermal conductivity calculation for ThNF / R-3m (166) / materials id 8226](https://mdr.nims.go.jp/datasets/3e042b9c-288c-4306-9721-227ec4980a17) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-07 22:47:34]-------------------------Compiled with OpenMP support (max 128 threads).Running in phonopy.load mode.Python version 3.14.2Spglib version 2.6.1Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".Unit of length: angstromSettings: Supercell: [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333]Spacegroup: R-3m (166)Number of symmetry operations in supercell: 144------------------------------ primitive cell ------------------------------Lattice vectors: a 1.988095329599375 1.147827373718835 6.727383163333326 b -1.988095329599372 1.147827373718835 6.727383163333326 c 0.000000000000002 -2.295654747437673 6.727383163333326Atomic positions (fractional): *1 N 0.62249747944184 0.62249747944185 0.62249747944184 14.007 2 N 0.37750252055815 0.37750252055816 0.37750252055816 14.007 *3 F 0.13157427236158 0.13157427236158 0.13157427236158 18.998 4 F 0.86842572763842 0.86842572763842 0.86842572763842 18.998 *5 Th 0.73881382026058 0.73881382026058 0.73881382026058 232.038 6 Th 0.26118617973942 0.26118617973942 0.26118617973942 232.038-------------------------------- unit cell ---------------------------------Lattice vectors: a 3.976190659198747 0.000000000000000 0.000000000000000 b -1.988095329599374 3.443482121156508 0.000000000000000 c 0.000000000000000 0.000000000000000 20.182149490000000Atomic positions (fractional): *1 N 0.33333333333333 0.66666666666667 0.28916414610851 14.007 > 1 2 N 0.33333333333333 0.66666666666667 0.04416918722482 14.007 > 2 3 N 0.00000000000000 0.00000000000000 0.62249747944184 14.007 > 1 4 N 0.00000000000000 0.00000000000000 0.37750252055815 14.007 > 2 5 N 0.66666666666667 0.33333333333333 0.95583081277518 14.007 > 1 6 N 0.66666666666667 0.33333333333333 0.71083585389149 14.007 > 2 *7 F 0.00000000000000 0.00000000000000 0.13157427236158 18.998 > 3 8 F 0.66666666666667 0.33333333333333 0.20175906097175 18.998 > 4 9 F 0.66666666666667 0.33333333333333 0.46490760569492 18.998 > 3 10 F 0.33333333333333 0.66666666666667 0.53509239430508 18.998 > 4 11 F 0.33333333333333 0.66666666666667 0.79824093902825 18.998 > 3 12 F 0.00000000000000 0.00000000000000 0.86842572763842 18.998 > 4 *13 Th 0.66666666666667 0.33333333333333 0.07214715359391 232.038 > 5 14 Th 0.00000000000000 0.00000000000000 0.26118617973942 232.038 > 6 15 Th 0.33333333333333 0.66666666666667 0.40548048692724 232.038 > 5 16 Th 0.66666666666667 0.33333333333333 0.59451951307275 232.038 > 6 17 Th 0.00000000000000 0.00000000000000 0.73881382026058 232.038 > 5 18 Th 0.33333333333333 0.66666666666667 0.92785284640609 232.038 > 6-------------------------------- super cell --------------------------------Lattice vectors: a 7.952381318397494 0.000000000000000 0.000000000000000 b -3.976190659198748 6.886964242313016 0.000000000000000 c 0.000000000000000 0.000000000000000 20.182149490000000Atomic positions (fractional): *1 N 0.16666666666667 0.33333333333333 0.28916414610851 14.007 > 1 2 N 0.66666666666667 0.33333333333333 0.28916414610851 14.007 > 1 3 N 0.16666666666667 0.83333333333333 0.28916414610851 14.007 > 1 4 N 0.66666666666667 0.83333333333333 0.28916414610851 14.007 > 1 5 N 0.16666666666667 0.33333333333333 0.04416918722482 14.007 > 2 6 N 0.66666666666667 0.33333333333333 0.04416918722482 14.007 > 2 7 N 0.16666666666667 0.83333333333333 0.04416918722482 14.007 > 2 8 N 0.66666666666667 0.83333333333333 0.04416918722482 14.007 > 2 9 N 0.00000000000000 0.00000000000000 0.62249747944184 14.007 > 1 10 N 0.50000000000000 0.00000000000000 0.62249747944184 14.007 > 1 11 N 0.00000000000000 0.50000000000000 0.62249747944184 14.007 > 1 12 N 0.50000000000000 0.50000000000000 0.62249747944184 14.007 > 1 13 N 0.00000000000000 0.00000000000000 0.37750252055815 14.007 > 2 14 N 0.50000000000000 0.00000000000000 0.37750252055815 14.007 > 2 15 N 0.00000000000000 0.50000000000000 0.37750252055815 14.007 > 2 16 N 0.50000000000000 0.50000000000000 0.37750252055815 14.007 > 2 17 N 0.33333333333333 0.16666666666667 0.95583081277518 14.007 > 1 18 N 0.83333333333333 0.16666666666667 0.95583081277518 14.007 > 1 19 N 0.33333333333333 0.66666666666667 0.95583081277518 14.007 > 1 20 N 0.83333333333333 0.66666666666667 0.95583081277518 14.007 > 1 21 N 0.33333333333333 0.16666666666667 0.71083585389149 14.007 > 2 22 N 0.83333333333333 0.16666666666667 0.71083585389149 14.007 > 2 23 N 0.33333333333333 0.66666666666667 0.71083585389149 14.007 > 2 24 N 0.83333333333333 0.66666666666667 0.71083585389149 14.007 > 2 *25 F 0.00000000000000 0.00000000000000 0.13157427236158 18.998 > 3 26 F 0.50000000000000 0.00000000000000 0.13157427236158 18.998 > 3 27 F 0.00000000000000 0.50000000000000 0.13157427236158 18.998 > 3 28 F 0.50000000000000 0.50000000000000 0.13157427236158 18.998 > 3 29 F 0.33333333333333 0.16666666666667 0.20175906097175 18.998 > 4 30 F 0.83333333333333 0.16666666666667 0.20175906097175 18.998 > 4 31 F 0.33333333333333 0.66666666666667 0.20175906097175 18.998 > 4 32 F 0.83333333333333 0.66666666666667 0.20175906097175 18.998 > 4 33 F 0.33333333333333 0.16666666666667 0.46490760569492 18.998 > 3 34 F 0.83333333333333 0.16666666666667 0.46490760569492 18.998 > 3 35 F 0.33333333333333 0.66666666666667 0.46490760569492 18.998 > 3 36 F 0.83333333333333 0.66666666666667 0.46490760569492 18.998 > 3 37 F 0.16666666666667 0.33333333333333 0.53509239430508 18.998 > 4 38 F 0.66666666666667 0.33333333333333 0.53509239430508 18.998 > 4 39 F 0.16666666666667 0.83333333333333 0.53509239430508 18.998 > 4 40 F 0.66666666666667 0.83333333333333 0.53509239430508 18.998 > 4 41 F 0.16666666666667 0.33333333333333 0.79824093902825 18.998 > 3 42 F 0.66666666666667 0.33333333333333 0.79824093902825 18.998 > 3 43 F 0.16666666666667 0.83333333333333 0.79824093902825 18.998 > 3 44 F 0.66666666666667 0.83333333333333 0.79824093902825 18.998 > 3 45 F 0.00000000000000 0.00000000000000 0.86842572763842 18.998 > 4 46 F 0.50000000000000 0.00000000000000 0.86842572763842 18.998 > 4 47 F 0.00000000000000 0.50000000000000 0.86842572763842 18.998 > 4 48 F 0.50000000000000 0.50000000000000 0.86842572763842 18.998 > 4 *49 Th 0.33333333333333 0.16666666666667 0.07214715359391 232.038 > 5 50 Th 0.83333333333333 0.16666666666667 0.07214715359391 232.038 > 5 51 Th 0.33333333333333 0.66666666666667 0.07214715359391 232.038 > 5 52 Th 0.83333333333333 0.66666666666667 0.07214715359391 232.038 > 5 53 Th 0.00000000000000 0.00000000000000 0.26118617973942 232.038 > 6 54 Th 0.50000000000000 0.00000000000000 0.26118617973942 232.038 > 6 55 Th 0.00000000000000 0.50000000000000 0.26118617973942 232.038 > 6 56 Th 0.50000000000000 0.50000000000000 0.26118617973942 232.038 > 6 57 Th 0.16666666666667 0.33333333333333 0.40548048692724 232.038 > 5 58 Th 0.66666666666667 0.33333333333333 0.40548048692724 232.038 > 5 59 Th 0.16666666666667 0.83333333333333 0.40548048692724 232.038 > 5 60 Th 0.66666666666667 0.83333333333333 0.40548048692724 232.038 > 5 61 Th 0.33333333333333 0.16666666666667 0.59451951307275 232.038 > 6 62 Th 0.83333333333333 0.16666666666667 0.59451951307275 232.038 > 6 63 Th 0.33333333333333 0.66666666666667 0.59451951307275 232.038 > 6 64 Th 0.83333333333333 0.66666666666667 0.59451951307275 232.038 > 6 65 Th 0.00000000000000 0.00000000000000 0.73881382026058 232.038 > 5 66 Th 0.50000000000000 0.00000000000000 0.73881382026058 232.038 > 5 67 Th 0.00000000000000 0.50000000000000 0.73881382026058 232.038 > 5 68 Th 0.50000000000000 0.50000000000000 0.73881382026058 232.038 > 5 69 Th 0.16666666666667 0.33333333333333 0.92785284640609 232.038 > 6 70 Th 0.66666666666667 0.33333333333333 0.92785284640609 232.038 > 6 71 Th 0.16666666666667 0.83333333333333 0.92785284640609 232.038 > 6 72 Th 0.66666666666667 0.83333333333333 0.92785284640609 232.038 > 6----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 5.7734876 -0.0000000 0.0000000 0.0000000 5.7734876 0.0000000 0.0000000 0.0000000 4.4662427-------------------------- Born effective charges -------------------------- 1 N -3.8126252 -0.0000000 0.0000000 -0.0000000 -3.8126252 0.0000000 0.0000000 0.0000000 -2.1971615 2 N -3.8126252 -0.0000000 0.0000000 -0.0000000 -3.8126252 0.0000000 0.0000000 0.0000000 -2.1971615 3 F -1.5128956 -0.0000000 0.0000000 0.0000000 -1.5128956 0.0000000 0.0000000 0.0000000 -2.2078844 4 F -1.5128956 -0.0000000 0.0000000 0.0000000 -1.5128956 0.0000000 0.0000000 0.0000000 -2.2078844 5 Th 5.3255208 0.0000000 0.0000000 0.0000000 5.3255208 0.0000000 0.0000000 0.0000000 4.4050459 6 Th 5.3255208 0.0000000 0.0000000 0.0000000 5.3255208 0.0000000 0.0000000 0.0000000 4.4050459----------------------------------------------------------------------------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: 216/216Permutation basis: 2448/2448Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 219Number of blocks in projector: 294Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 3--- Eigsh_solver_block: 1 / 3 ---Block_size: 99Use standard eigh solver.--- Eigsh_solver_block: 2 / 3 ---Block_size: 66Use standard eigh solver.--- Eigsh_solver_block: 3 / 3 ---Block_size: 54Use standard eigh solver.Tree of FC basis block matrices:- (219, 213), data: False|-- (54, 54), data: True|-- (66, 63), data: True|-- (99, 96), data: True-----Solver_atoms: 1 -- 72 / 72Time (Solver_compr_matrix_reshape): 0.003Solver_block: 80 / 80 - Time: 0.081Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.086--------------------------------- Symfc end --------------------------------Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 216/216Permutation basis: 2448/2448Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 219Number of blocks in projector: 294Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 3--- Eigsh_solver_block: 1 / 3 ---Block_size: 99Use standard eigh solver.--- Eigsh_solver_block: 2 / 3 ---Block_size: 66Use standard eigh solver.--- Eigsh_solver_block: 3 / 3 ---Block_size: 54Use standard eigh solver.Tree of FC basis block matrices:- (219, 213), data: False|-- (54, 54), data: True|-- (66, 63), data: True|-- (99, 96), data: TrueMax drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-07 22:47:36]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-07 22:47:37]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: force constantsHDF5 data compression filter: gzipCrystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".Supercell (dim): [2 2 1]Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333]Spacegroup: R-3m (166)------------------------------ primitive cell ------------------------------Lattice vectors: a 1.988095329599375 1.147827373718835 6.727383163333326 b -1.988095329599372 1.147827373718835 6.727383163333326 c 0.000000000000002 -2.295654747437673 6.727383163333326Atomic positions (fractional): 1 N 0.62249747944184 0.62249747944185 0.62249747944184 14.007 2 N 0.37750252055815 0.37750252055816 0.37750252055816 14.007 3 F 0.13157427236158 0.13157427236158 0.13157427236158 18.998 4 F 0.86842572763842 0.86842572763842 0.86842572763842 18.998 5 Th 0.73881382026058 0.73881382026058 0.73881382026058 232.038 6 Th 0.26118617973942 0.26118617973942 0.26118617973942 232.038-------------------------------- supercell ---------------------------------Lattice vectors: a 7.952381318397494 0.000000000000000 0.000000000000000 b -3.976190659198748 6.886964242313016 0.000000000000000 c 0.000000000000000 0.000000000000000 20.182149490000000Atomic positions (fractional): 1 N 0.16666666666667 0.33333333333333 0.28916414610851 14.007 > 1 2 N 0.66666666666667 0.33333333333333 0.28916414610851 14.007 > 1 3 N 0.16666666666667 0.83333333333333 0.28916414610851 14.007 > 1 4 N 0.66666666666667 0.83333333333333 0.28916414610851 14.007 > 1 5 N 0.16666666666667 0.33333333333333 0.04416918722482 14.007 > 5 6 N 0.66666666666667 0.33333333333333 0.04416918722482 14.007 > 5 7 N 0.16666666666667 0.83333333333333 0.04416918722482 14.007 > 5 8 N 0.66666666666667 0.83333333333333 0.04416918722482 14.007 > 5 9 N 0.00000000000000 0.00000000000000 0.62249747944184 14.007 > 1 10 N 0.50000000000000 0.00000000000000 0.62249747944184 14.007 > 1 11 N 0.00000000000000 0.50000000000000 0.62249747944184 14.007 > 1 12 N 0.50000000000000 0.50000000000000 0.62249747944184 14.007 > 1 13 N 0.00000000000000 0.00000000000000 0.37750252055815 14.007 > 5 14 N 0.50000000000000 0.00000000000000 0.37750252055815 14.007 > 5 15 N 0.00000000000000 0.50000000000000 0.37750252055815 14.007 > 5 16 N 0.50000000000000 0.50000000000000 0.37750252055815 14.007 > 5 17 N 0.33333333333333 0.16666666666667 0.95583081277518 14.007 > 1 18 N 0.83333333333333 0.16666666666667 0.95583081277518 14.007 > 1 19 N 0.33333333333333 0.66666666666667 0.95583081277518 14.007 > 1 20 N 0.83333333333333 0.66666666666667 0.95583081277518 14.007 > 1 21 N 0.33333333333333 0.16666666666667 0.71083585389149 14.007 > 5 22 N 0.83333333333333 0.16666666666667 0.71083585389149 14.007 > 5 23 N 0.33333333333333 0.66666666666667 0.71083585389149 14.007 > 5 24 N 0.83333333333333 0.66666666666667 0.71083585389149 14.007 > 5 25 F 0.00000000000000 0.00000000000000 0.13157427236158 18.998 > 25 26 F 0.50000000000000 0.00000000000000 0.13157427236158 18.998 > 25 27 F 0.00000000000000 0.50000000000000 0.13157427236158 18.998 > 25 28 F 0.50000000000000 0.50000000000000 0.13157427236158 18.998 > 25 29 F 0.33333333333333 0.16666666666667 0.20175906097175 18.998 > 29 30 F 0.83333333333333 0.16666666666667 0.20175906097175 18.998 > 29 31 F 0.33333333333333 0.66666666666667 0.20175906097175 18.998 > 29 32 F 0.83333333333333 0.66666666666667 0.20175906097175 18.998 > 29 33 F 0.33333333333333 0.16666666666667 0.46490760569492 18.998 > 25 34 F 0.83333333333333 0.16666666666667 0.46490760569492 18.998 > 25 35 F 0.33333333333333 0.66666666666667 0.46490760569492 18.998 > 25 36 F 0.83333333333333 0.66666666666667 0.46490760569492 18.998 > 25 37 F 0.16666666666667 0.33333333333333 0.53509239430508 18.998 > 29 38 F 0.66666666666667 0.33333333333333 0.53509239430508 18.998 > 29 39 F 0.16666666666667 0.83333333333333 0.53509239430508 18.998 > 29 40 F 0.66666666666667 0.83333333333333 0.53509239430508 18.998 > 29 41 F 0.16666666666667 0.33333333333333 0.79824093902825 18.998 > 25 42 F 0.66666666666667 0.33333333333333 0.79824093902825 18.998 > 25 43 F 0.16666666666667 0.83333333333333 0.79824093902825 18.998 > 25 44 F 0.66666666666667 0.83333333333333 0.79824093902825 18.998 > 25 45 F 0.00000000000000 0.00000000000000 0.86842572763842 18.998 > 29 46 F 0.50000000000000 0.00000000000000 0.86842572763842 18.998 > 29 47 F 0.00000000000000 0.50000000000000 0.86842572763842 18.998 > 29 48 F 0.50000000000000 0.50000000000000 0.86842572763842 18.998 > 29 49 Th 0.33333333333333 0.16666666666667 0.07214715359391 232.038 > 49 50 Th 0.83333333333333 0.16666666666667 0.07214715359391 232.038 > 49 51 Th 0.33333333333333 0.66666666666667 0.07214715359391 232.038 > 49 52 Th 0.83333333333333 0.66666666666667 0.07214715359391 232.038 > 49 53 Th 0.00000000000000 0.00000000000000 0.26118617973942 232.038 > 53 54 Th 0.50000000000000 0.00000000000000 0.26118617973942 232.038 > 53 55 Th 0.00000000000000 0.50000000000000 0.26118617973942 232.038 > 53 56 Th 0.50000000000000 0.50000000000000 0.26118617973942 232.038 > 53 57 Th 0.16666666666667 0.33333333333333 0.40548048692724 232.038 > 49 58 Th 0.66666666666667 0.33333333333333 0.40548048692724 232.038 > 49 59 Th 0.16666666666667 0.83333333333333 0.40548048692724 232.038 > 49 60 Th 0.66666666666667 0.83333333333333 0.40548048692724 232.038 > 49 61 Th 0.33333333333333 0.16666666666667 0.59451951307275 232.038 > 53 62 Th 0.83333333333333 0.16666666666667 0.59451951307275 232.038 > 53 63 Th 0.33333333333333 0.66666666666667 0.59451951307275 232.038 > 53 64 Th 0.83333333333333 0.66666666666667 0.59451951307275 232.038 > 53 65 Th 0.00000000000000 0.00000000000000 0.73881382026058 232.038 > 49 66 Th 0.50000000000000 0.00000000000000 0.73881382026058 232.038 > 49 67 Th 0.00000000000000 0.50000000000000 0.73881382026058 232.038 > 49 68 Th 0.50000000000000 0.50000000000000 0.73881382026058 232.038 > 49 69 Th 0.16666666666667 0.33333333333333 0.92785284640609 232.038 > 53 70 Th 0.66666666666667 0.33333333333333 0.92785284640609 232.038 > 53 71 Th 0.16666666666667 0.83333333333333 0.92785284640609 232.038 > 53 72 Th 0.66666666666667 0.83333333333333 0.92785284640609 232.038 > 53----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 5.7734876 -0.0000000 0.0000000 0.0000000 5.7734876 0.0000000 0.0000000 0.0000000 4.4662427-------------------------- Born effective charges -------------------------- 1 N -3.8126252 -0.0000000 0.0000000 -0.0000000 -3.8126252 0.0000000 0.0000000 0.0000000 -2.1971615 2 N -3.8126252 -0.0000000 0.0000000 -0.0000000 -3.8126252 0.0000000 0.0000000 0.0000000 -2.1971615 3 F -1.5128956 -0.0000000 0.0000000 0.0000000 -1.5128956 0.0000000 0.0000000 0.0000000 -2.2078844 4 F -1.5128956 -0.0000000 0.0000000 0.0000000 -1.5128956 0.0000000 0.0000000 0.0000000 -2.2078844 5 Th 5.3255208 0.0000000 0.0000000 0.0000000 5.3255208 0.0000000 0.0000000 0.0000000 4.4050459 6 Th 5.3255208 0.0000000 0.0000000 0.0000000 5.3255208 0.0000000 0.0000000 0.0000000 4.4050459----------------------------------------------------------------------------Sets of supercell forces were read from "FORCES_FC3.xz".Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".----------------------------- Force constants ------------------------------Computing fc3[ 1, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 25, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 49, 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: 0.00000003 (zzz) 0.00000003 (zzz) 0.00000003 (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): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperatures: 0.0 300.0 Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330----------- None of ph-ph interaction calculation was performed. -----------Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-07 22:47:40]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-07 22:47:41]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: conductivity-RTAHDF5 data compression filter: gzipCrystal structure was read from "phono3py.yaml".Supercell (dim): [2 2 1]Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333]Spacegroup: R-3m (166)------------------------------ primitive cell ------------------------------Lattice vectors: a 1.988095329599375 1.147827373718835 6.727383163333326 b -1.988095329599372 1.147827373718835 6.727383163333326 c 0.000000000000002 -2.295654747437673 6.727383163333326Atomic positions (fractional): 1 N 0.62249747944184 0.62249747944185 0.62249747944184 14.007 2 N 0.37750252055815 0.37750252055816 0.37750252055816 14.007 3 F 0.13157427236158 0.13157427236158 0.13157427236158 18.998 4 F 0.86842572763842 0.86842572763842 0.86842572763842 18.998 5 Th 0.73881382026058 0.73881382026058 0.73881382026058 232.038 6 Th 0.26118617973942 0.26118617973942 0.26118617973942 232.038-------------------------------- supercell ---------------------------------Lattice vectors: a 7.952381318397494 0.000000000000000 0.000000000000000 b -3.976190659198748 6.886964242313016 0.000000000000000 c 0.000000000000000 0.000000000000000 20.182149490000000Atomic positions (fractional): 1 N 0.16666666666667 0.33333333333333 0.28916414610851 14.007 > 1 2 N 0.66666666666667 0.33333333333333 0.28916414610851 14.007 > 1 3 N 0.16666666666667 0.83333333333333 0.28916414610851 14.007 > 1 4 N 0.66666666666667 0.83333333333333 0.28916414610851 14.007 > 1 5 N 0.16666666666667 0.33333333333333 0.04416918722482 14.007 > 5 6 N 0.66666666666667 0.33333333333333 0.04416918722482 14.007 > 5 7 N 0.16666666666667 0.83333333333333 0.04416918722482 14.007 > 5 8 N 0.66666666666667 0.83333333333333 0.04416918722482 14.007 > 5 9 N 0.00000000000000 0.00000000000000 0.62249747944184 14.007 > 1 10 N 0.50000000000000 0.00000000000000 0.62249747944184 14.007 > 1 11 N 0.00000000000000 0.50000000000000 0.62249747944184 14.007 > 1 12 N 0.50000000000000 0.50000000000000 0.62249747944184 14.007 > 1 13 N 0.00000000000000 0.00000000000000 0.37750252055815 14.007 > 5 14 N 0.50000000000000 0.00000000000000 0.37750252055815 14.007 > 5 15 N 0.00000000000000 0.50000000000000 0.37750252055815 14.007 > 5 16 N 0.50000000000000 0.50000000000000 0.37750252055815 14.007 > 5 17 N 0.33333333333333 0.16666666666667 0.95583081277518 14.007 > 1 18 N 0.83333333333333 0.16666666666667 0.95583081277518 14.007 > 1 19 N 0.33333333333333 0.66666666666667 0.95583081277518 14.007 > 1 20 N 0.83333333333333 0.66666666666667 0.95583081277518 14.007 > 1 21 N 0.33333333333333 0.16666666666667 0.71083585389149 14.007 > 5 22 N 0.83333333333333 0.16666666666667 0.71083585389149 14.007 > 5 23 N 0.33333333333333 0.66666666666667 0.71083585389149 14.007 > 5 24 N 0.83333333333333 0.66666666666667 0.71083585389149 14.007 > 5 25 F 0.00000000000000 0.00000000000000 0.13157427236158 18.998 > 25 26 F 0.50000000000000 0.00000000000000 0.13157427236158 18.998 > 25 27 F 0.00000000000000 0.50000000000000 0.13157427236158 18.998 > 25 28 F 0.50000000000000 0.50000000000000 0.13157427236158 18.998 > 25 29 F 0.33333333333333 0.16666666666667 0.20175906097175 18.998 > 29 30 F 0.83333333333333 0.16666666666667 0.20175906097175 18.998 > 29 31 F 0.33333333333333 0.66666666666667 0.20175906097175 18.998 > 29 32 F 0.83333333333333 0.66666666666667 0.20175906097175 18.998 > 29 33 F 0.33333333333333 0.16666666666667 0.46490760569492 18.998 > 25 34 F 0.83333333333333 0.16666666666667 0.46490760569492 18.998 > 25 35 F 0.33333333333333 0.66666666666667 0.46490760569492 18.998 > 25 36 F 0.83333333333333 0.66666666666667 0.46490760569492 18.998 > 25 37 F 0.16666666666667 0.33333333333333 0.53509239430508 18.998 > 29 38 F 0.66666666666667 0.33333333333333 0.53509239430508 18.998 > 29 39 F 0.16666666666667 0.83333333333333 0.53509239430508 18.998 > 29 40 F 0.66666666666667 0.83333333333333 0.53509239430508 18.998 > 29 41 F 0.16666666666667 0.33333333333333 0.79824093902825 18.998 > 25 42 F 0.66666666666667 0.33333333333333 0.79824093902825 18.998 > 25 43 F 0.16666666666667 0.83333333333333 0.79824093902825 18.998 > 25 44 F 0.66666666666667 0.83333333333333 0.79824093902825 18.998 > 25 45 F 0.00000000000000 0.00000000000000 0.86842572763842 18.998 > 29 46 F 0.50000000000000 0.00000000000000 0.86842572763842 18.998 > 29 47 F 0.00000000000000 0.50000000000000 0.86842572763842 18.998 > 29 48 F 0.50000000000000 0.50000000000000 0.86842572763842 18.998 > 29 49 Th 0.33333333333333 0.16666666666667 0.07214715359391 232.038 > 49 50 Th 0.83333333333333 0.16666666666667 0.07214715359391 232.038 > 49 51 Th 0.33333333333333 0.66666666666667 0.07214715359391 232.038 > 49 52 Th 0.83333333333333 0.66666666666667 0.07214715359391 232.038 > 49 53 Th 0.00000000000000 0.00000000000000 0.26118617973942 232.038 > 53 54 Th 0.50000000000000 0.00000000000000 0.26118617973942 232.038 > 53 55 Th 0.00000000000000 0.50000000000000 0.26118617973942 232.038 > 53 56 Th 0.50000000000000 0.50000000000000 0.26118617973942 232.038 > 53 57 Th 0.16666666666667 0.33333333333333 0.40548048692724 232.038 > 49 58 Th 0.66666666666667 0.33333333333333 0.40548048692724 232.038 > 49 59 Th 0.16666666666667 0.83333333333333 0.40548048692724 232.038 > 49 60 Th 0.66666666666667 0.83333333333333 0.40548048692724 232.038 > 49 61 Th 0.33333333333333 0.16666666666667 0.59451951307275 232.038 > 53 62 Th 0.83333333333333 0.16666666666667 0.59451951307275 232.038 > 53 63 Th 0.33333333333333 0.66666666666667 0.59451951307275 232.038 > 53 64 Th 0.83333333333333 0.66666666666667 0.59451951307275 232.038 > 53 65 Th 0.00000000000000 0.00000000000000 0.73881382026058 232.038 > 49 66 Th 0.50000000000000 0.00000000000000 0.73881382026058 232.038 > 49 67 Th 0.00000000000000 0.50000000000000 0.73881382026058 232.038 > 49 68 Th 0.50000000000000 0.50000000000000 0.73881382026058 232.038 > 49 69 Th 0.16666666666667 0.33333333333333 0.92785284640609 232.038 > 53 70 Th 0.66666666666667 0.33333333333333 0.92785284640609 232.038 > 53 71 Th 0.16666666666667 0.83333333333333 0.92785284640609 232.038 > 53 72 Th 0.66666666666667 0.83333333333333 0.92785284640609 232.038 > 53----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 5.7734876 -0.0000000 0.0000000 0.0000000 5.7734876 0.0000000 0.0000000 0.0000000 4.4662427-------------------------- Born effective charges -------------------------- 1 N -3.8126252 -0.0000000 0.0000000 -0.0000000 -3.8126252 0.0000000 0.0000000 0.0000000 -2.1971615 2 N -3.8126252 -0.0000000 0.0000000 -0.0000000 -3.8126252 0.0000000 0.0000000 0.0000000 -2.1971615 3 F -1.5128956 -0.0000000 0.0000000 0.0000000 -1.5128956 0.0000000 0.0000000 0.0000000 -2.2078844 4 F -1.5128956 -0.0000000 0.0000000 0.0000000 -1.5128956 0.0000000 0.0000000 0.0000000 -2.2078844 5 Th 5.3255208 0.0000000 0.0000000 0.0000000 5.3255208 0.0000000 0.0000000 0.0000000 4.4050459 6 Th 5.3255208 0.0000000 0.0000000 0.0000000 5.3255208 0.0000000 0.0000000 0.0000000 4.4050459----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: 0.00000003 (zzz) 0.00000003 (zzz) 0.00000003 (zzz)Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330Length for sampling mesh generation: 50.00Generating grid system ... [ 15 15 15 ]fc3-r2q-transformation over three atoms: True--------------------------- Phonon calculations ----------------------------Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.92, Number of G-points: 313, Lambda: 0.22Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/344) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 344Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 3.011 ( 0.000 0.000 0.000) 0.000 3.011 ( 0.000 0.000 0.000) 0.000 5.183 ( 0.000 0.000 0.000) 0.000 6.290 ( 0.000 0.000 0.000) 0.000 6.290 ( 0.000 0.000 0.000) 0.000 6.358 ( 0.000 0.000 0.000) 0.000 7.973 ( 0.000 0.000 0.000) 0.000 7.973 ( 0.000 0.000 0.000) 0.000 8.932 ( 0.000 0.000 0.000) 0.000 12.484 ( 0.000 0.000 0.000) 0.000 12.484 ( 0.000 0.000 0.000) 0.000 14.045 ( 0.000 0.000 0.000) 0.000 14.045 ( 0.000 0.000 0.000) 0.000 14.891 ( 0.000 0.000 0.000) 0.000 16.818 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/344) =======================q-point: ( 0.07 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.463 ( 21.915 12.652 2.758) 25.455 0.573 ( 25.125 14.506 -0.245) 29.013 1.015 ( 42.943 24.793 10.710) 50.730 3.043 ( 2.844 1.642 -0.227) 3.292 3.182 ( 14.701 8.487 -1.562) 17.046 5.174 ( -0.614 -0.354 -1.415) 1.583 6.283 ( -0.612 -0.353 0.033) 0.708 6.325 ( -2.397 -1.384 -0.498) 2.812 7.442 ( -20.964 -12.104 -10.161) 26.254 7.994 ( 1.736 1.002 0.308) 2.028 8.152 ( 2.523 1.457 26.425) 26.585 9.002 ( 5.422 3.131 -0.359) 6.271 12.424 ( -5.256 -3.034 -0.333) 6.078 14.001 ( -4.013 -2.317 -0.367) 4.648 14.046 ( 0.050 0.029 0.397) 0.401 14.746 ( -11.431 -6.600 -6.699) 14.802 16.794 ( 8.177 4.721 -31.028) 32.432 18.709 ( 3.610 2.084 3.268) 5.297======================= Grid point 2 (3/344) =======================q-point: ( 0.13 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.003 ( 25.258 14.583 2.605) 29.282 1.111 ( 22.776 13.150 0.171) 26.300 1.971 ( 39.092 22.570 10.374) 46.316 3.130 ( 4.908 2.834 -0.558) 5.694 3.600 ( 21.985 12.693 -2.739) 25.534 5.148 ( -1.082 -0.625 -2.447) 2.747 6.254 ( -4.390 -2.534 2.719) 5.752 6.265 ( -0.998 -0.576 0.062) 1.154 6.916 ( -20.112 -11.612 -19.335) 30.218 8.049 ( 2.941 1.698 0.599) 3.449 8.226 ( -2.165 -1.250 18.456) 18.624 9.119 ( 4.266 2.463 -0.915) 5.010 12.254 ( -9.488 -5.478 -0.588) 10.972 13.857 ( -8.716 -5.032 -1.165) 10.131 14.050 ( 0.074 0.043 0.679) 0.684 14.380 ( -17.872 -10.319 -8.976) 22.505 16.909 ( 7.816 4.513 -8.557) 12.437 18.811 ( 3.987 2.302 2.705) 5.339======================= Grid point 3 (4/344) =======================q-point: ( 0.20 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.584 ( 19.303 11.145 0.788) 22.303 1.590 ( 25.989 15.005 2.942) 30.153 2.812 ( 32.694 18.876 9.748) 38.990 3.249 ( 5.683 3.281 -1.003) 6.638 4.096 ( 22.410 12.939 -3.866) 26.164 5.114 ( -1.089 -0.629 -2.398) 2.708 6.109 ( -11.014 -6.359 4.424) 13.466 6.240 ( -1.239 -0.715 0.160) 1.439 6.515 ( -7.503 -4.332 -18.657) 20.570 8.124 ( 3.493 2.017 0.730) 4.099 8.191 ( -5.368 -3.099 12.883) 14.296 9.159 ( -0.469 -0.271 -2.670) 2.725 12.009 ( -11.976 -6.915 -0.687) 13.846 13.596 ( -14.146 -8.167 -3.586) 16.723 13.938 ( -18.165 -10.488 -6.415) 21.934 14.054 ( 0.127 0.073 0.781) 0.795 17.077 ( 8.614 4.973 -2.135) 10.173 18.883 ( 1.288 0.743 2.929) 3.284======================= Grid point 4 (5/344) =======================q-point: ( 0.27 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.975 ( 15.255 8.807 1.402) 17.670 2.167 ( 24.449 14.115 3.594) 28.459 3.368 ( 5.140 2.968 -1.441) 6.108 3.477 ( 23.621 13.638 8.441) 28.552 4.539 ( 17.868 10.316 -5.266) 21.293 5.090 ( -0.370 -0.214 -1.056) 1.139 5.854 ( -9.646 -5.569 2.601) 11.437 6.211 ( -1.466 -0.846 0.367) 1.732 6.440 ( 2.550 1.472 -9.785) 10.219 8.084 ( -6.987 -4.034 8.545) 11.752 8.206 ( 3.532 2.039 0.574) 4.118 9.076 ( -5.774 -3.333 -5.474) 8.626 11.730 ( -12.442 -7.183 -0.593) 14.379 13.206 ( -18.463 -10.659 -6.425) 22.266 13.562 ( -14.169 -8.180 -1.877) 16.468 14.061 ( 0.280 0.161 0.714) 0.783 17.268 ( 8.482 4.897 -0.258) 9.797 18.886 ( -1.782 -1.029 2.949) 3.596======================= Grid point 5 (6/344) =======================q-point: ( 0.33 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.274 ( 11.030 6.368 1.712) 12.851 2.698 ( 21.729 12.545 4.233) 25.445 3.463 ( 3.738 2.158 -1.643) 4.618 3.898 ( 11.402 6.583 5.456) 14.251 4.841 ( 10.626 6.135 -4.701) 13.139 5.097 ( 1.546 0.892 -0.571) 1.874 5.767 ( 0.318 0.183 7.113) 7.122 6.178 ( -1.514 -0.874 0.552) 1.833 6.502 ( 4.625 2.670 -5.551) 7.703 7.958 ( -5.731 -3.309 5.812) 8.808 8.282 ( 3.107 1.794 0.242) 3.596 8.871 ( -10.189 -5.883 -8.754) 14.665 11.463 ( -10.921 -6.305 -0.375) 12.616 12.775 ( -17.443 -10.071 -5.798) 20.959 13.285 ( -10.405 -6.007 -0.195) 12.017 14.072 ( 0.465 0.268 0.542) 0.763 17.444 ( 7.162 4.135 0.077) 8.270 18.833 ( -3.476 -2.007 2.551) 4.756======================= Grid point 6 (7/344) =======================q-point: ( 0.40 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.478 ( 6.722 3.881 1.454) 7.897 3.164 ( 18.591 10.734 4.554) 21.945 3.523 ( 2.108 1.217 -1.369) 2.793 4.013 ( -1.614 -0.932 0.841) 2.045 5.004 ( 5.478 3.163 -1.104) 6.421 5.169 ( 4.650 2.685 -0.427) 5.386 5.855 ( 3.593 2.075 7.928) 8.948 6.150 ( -1.144 -0.660 0.513) 1.417 6.587 ( 3.828 2.210 -2.949) 5.313 7.900 ( -0.411 -0.237 5.936) 5.955 8.343 ( 2.163 1.249 -0.001) 2.498 8.578 ( -12.648 -7.302 -11.328) 18.482 11.253 ( -7.556 -4.362 -0.166) 8.726 12.420 ( -12.323 -7.115 -3.732) 14.711 13.096 ( -6.390 -3.689 0.185) 7.380 14.084 ( 0.480 0.277 0.330) 0.645 17.581 ( 4.847 2.798 0.013) 5.597 18.761 ( -3.228 -1.864 1.747) 4.117======================= Grid point 7 (8/344) =======================q-point: ( 0.47 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.582 ( 2.270 1.311 0.579) 2.685 3.550 ( 0.656 0.379 -0.543) 0.932 3.552 ( 14.347 8.283 4.009) 17.045 3.873 ( -9.417 -5.437 -2.432) 11.143 5.090 ( 2.162 1.248 0.045) 2.497 5.258 ( 2.433 1.405 0.158) 2.814 5.931 ( 1.250 0.722 3.276) 3.580 6.133 ( -0.419 -0.242 0.208) 0.526 6.642 ( 1.437 0.830 -0.899) 1.887 7.999 ( 6.969 4.023 8.868) 11.975 8.257 ( -11.858 -6.846 -11.499) 17.881 8.376 ( 0.777 0.449 -0.034) 0.898 11.136 ( -2.716 -1.568 -0.040) 3.137 12.220 ( -4.454 -2.572 -1.277) 5.299 13.002 ( -2.139 -1.235 0.112) 2.472 14.093 ( 0.208 0.120 0.110) 0.264 17.655 ( 1.735 1.002 -0.018) 2.004 18.712 ( -1.308 -0.755 0.626) 1.635======================= Grid point 16 (9/344) =======================q-point: ( 0.07 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.559 ( -0.000 22.745 18.871) 29.554 0.629 ( -0.000 27.914 10.571) 29.848 0.983 ( -0.000 48.036 5.007) 48.296 3.038 ( 0.000 3.205 -1.240) 3.437 3.191 ( -0.000 17.551 0.034) 17.551 5.168 ( 0.000 -0.592 -2.506) 2.575 6.283 ( 0.000 -0.730 0.027) 0.731 6.292 ( 0.000 -3.468 -5.469) 6.476 7.764 ( -0.000 -30.757 48.809) 57.692 7.986 ( 0.000 2.385 -5.597) 6.084 7.987 ( 0.000 1.758 -1.071) 2.058 8.998 ( 0.000 6.141 -1.206) 6.258 12.429 ( -0.000 -5.856 0.823) 5.914 14.002 ( 0.000 -4.552 -0.223) 4.558 14.042 ( 0.000 -0.123 -0.493) 0.508 14.716 ( 0.000 -12.116 -12.681) 17.539 16.717 ( 0.000 28.240 -43.801) 52.116 18.649 ( 0.000 0.111 -6.347) 6.348======================= Grid point 17 (10/344) =======================q-point: ( 0.13 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.858 ( 9.969 23.574 11.416) 28.026 1.080 ( 11.064 26.387 4.849) 29.021 1.701 ( 26.670 35.633 8.632) 45.337 3.125 ( 4.095 6.021 -1.753) 7.489 3.454 ( 9.757 20.395 -0.624) 22.617 5.146 ( -0.650 -0.555 -3.284) 3.394 6.213 ( -1.077 -5.209 -1.211) 5.455 6.302 ( 1.326 -0.769 -2.619) 3.035 7.192 ( -31.036 -13.270 4.522) 34.055 8.006 ( 2.306 -0.366 1.327) 2.685 8.212 ( 9.479 -5.863 12.443) 16.705 9.088 ( 3.274 5.304 -1.488) 6.408 12.324 ( -4.961 -7.268 0.403) 8.809 13.899 ( -4.989 -8.021 -0.893) 9.488 14.042 ( 0.390 -0.419 -0.318) 0.655 14.455 ( -9.305 -14.592 -13.010) 21.651 16.885 ( 2.798 16.143 -9.739) 19.060 18.705 ( 7.537 -0.684 -6.908) 10.247======================= Grid point 18 (11/344) =======================q-point: ( 0.20 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.371 ( 19.744 21.891 5.809) 30.046 1.520 ( 11.393 22.694 2.996) 25.569 2.500 ( 29.405 23.322 8.424) 38.464 3.264 ( 3.552 10.838 -1.214) 11.469 3.873 ( 17.533 17.366 -2.234) 24.779 5.118 ( -0.963 -0.166 -3.073) 3.225 6.139 ( -1.553 -6.540 0.968) 6.791 6.301 ( -0.035 0.403 -2.155) 2.192 6.611 ( -22.790 -9.966 -6.170) 25.627 8.054 ( 3.649 -1.752 2.266) 4.639 8.273 ( -0.068 -3.235 9.490) 10.026 9.159 ( 0.758 2.213 -2.431) 3.374 12.133 ( -9.435 -6.747 -0.082) 11.600 13.674 ( -9.539 -12.062 -2.775) 15.626 13.981 ( -6.414 -12.067 -5.266) 14.646 14.144 ( -6.533 -1.397 -4.563) 8.090 17.055 ( 3.146 12.062 0.284) 12.469 18.793 ( 6.782 -3.911 -3.265) 8.482======================= Grid point 19 (12/344) =======================q-point: ( 0.27 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.906 ( 10.708 19.726 2.664) 22.603 1.950 ( 21.264 18.983 3.499) 28.719 3.119 ( 21.230 7.001 3.974) 22.705 3.481 ( 6.871 19.505 1.831) 20.761 4.318 ( 18.228 12.740 -3.889) 22.576 5.097 ( -0.679 0.611 -1.235) 1.536 5.984 ( -10.069 -6.497 1.460) 12.072 6.254 ( -7.300 -1.273 2.035) 7.684 6.333 ( 4.135 -3.908 -8.541) 10.263 8.087 ( 1.614 -4.949 4.300) 6.752 8.250 ( -2.453 1.020 4.297) 5.051 9.124 ( -4.285 -1.113 -4.676) 6.439 11.889 ( -12.289 -5.090 -0.320) 13.305 13.323 ( -14.652 -15.036 -6.034) 21.844 13.648 ( -10.253 -14.706 -4.004) 18.369 14.135 ( -1.883 7.164 -0.117) 7.408 17.223 ( 4.130 8.819 2.159) 9.974 18.822 ( 4.125 -7.829 -0.509) 8.864======================= Grid point 20 (13/344) =======================q-point: ( 0.33 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.231 ( 7.681 15.037 2.679) 17.097 2.498 ( 20.452 17.720 2.369) 27.165 3.379 ( 8.352 1.368 -0.853) 8.506 3.847 ( 9.876 16.746 3.523) 19.758 4.678 ( 14.079 7.808 -4.418) 16.694 5.099 ( -0.223 1.314 0.854) 1.583 5.817 ( -4.294 -0.839 5.173) 6.775 6.171 ( -1.199 -4.363 1.445) 4.750 6.387 ( 6.579 -1.459 -4.641) 8.182 8.025 ( -3.860 -4.937 4.570) 7.757 8.271 ( 1.112 2.630 1.572) 3.259 8.964 ( -9.284 -3.781 -7.612) 12.587 11.638 ( -12.872 -2.118 -0.371) 13.051 12.886 ( -15.906 -16.137 -6.295) 23.516 13.362 ( -8.232 -10.823 -1.314) 13.661 14.183 ( -3.456 11.572 0.143) 12.078 17.372 ( 5.177 4.319 1.841) 6.989 18.782 ( 2.230 -10.894 0.830) 11.151======================= Grid point 21 (14/344) =======================q-point: ( 0.40 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.471 ( 4.311 11.907 2.312) 12.873 2.980 ( 17.740 13.710 1.488) 22.470 3.494 ( 4.280 2.884 -1.208) 5.301 4.065 ( 0.176 8.506 -0.624) 8.531 4.914 ( 8.750 4.040 -1.959) 9.835 5.133 ( 2.318 2.124 2.449) 3.985 5.849 ( 2.510 2.298 8.163) 8.844 6.122 ( 0.446 -5.429 1.178) 5.573 6.476 ( 7.221 -2.186 -3.017) 8.125 7.943 ( -2.716 -1.326 4.226) 5.195 8.325 ( 1.638 1.689 1.634) 2.864 8.703 ( -12.737 -4.943 -10.131) 17.009 11.431 ( -11.807 3.032 -0.273) 12.193 12.469 ( -12.075 -16.388 -4.553) 20.859 13.154 ( -6.102 -6.580 -0.505) 8.988 14.238 ( -6.098 15.898 0.174) 17.028 17.488 ( 5.989 -0.856 1.128) 6.154 18.705 ( 2.027 -12.302 1.046) 12.512======================= Grid point 22 (15/344) =======================q-point: ( 0.47 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.618 ( 0.235 9.180 1.277) 9.272 3.332 ( 12.583 2.488 -0.170) 12.827 3.611 ( 4.275 10.243 0.111) 11.100 4.026 ( -10.136 4.139 -4.118) 11.697 5.048 ( 4.635 1.668 -0.109) 4.927 5.221 ( 3.679 0.964 4.188) 5.657 5.927 ( 1.406 0.574 4.418) 4.671 6.092 ( 1.780 -5.048 0.644) 5.391 6.553 ( 6.071 -3.932 -1.670) 7.423 7.969 ( 3.526 2.557 6.116) 7.508 8.335 ( -5.366 -2.785 -0.317) 6.054 8.427 ( -7.445 -0.192 -7.812) 10.793 11.307 ( -10.384 9.896 -0.125) 14.345 12.163 ( -3.451 -15.988 -2.310) 16.518 13.027 ( -3.348 -2.829 -0.390) 4.401 14.282 ( -8.968 18.790 0.152) 20.821 17.562 ( 5.997 -5.406 0.645) 8.100 18.633 ( 3.462 -12.041 0.469) 12.538======================= Grid point 23 (16/344) =======================q-point: (-0.47 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.663 ( -4.130 6.452 -0.197) 7.663 3.433 ( 3.892 -6.722 -1.287) 7.873 3.811 ( -8.775 1.324 -3.341) 9.482 3.850 ( -0.491 16.067 -1.107) 16.112 5.097 ( 0.387 -0.635 0.097) 0.750 5.266 ( 0.184 -2.107 4.075) 4.591 5.930 ( -0.684 -1.363 -1.979) 2.499 6.082 ( 2.314 -4.518 -0.563) 5.107 6.586 ( 3.814 -5.771 -0.372) 6.928 8.060 ( -4.931 -3.311 -3.582) 6.936 8.190 ( 3.745 5.369 5.373) 8.469 8.413 ( -0.426 2.517 1.974) 3.227 11.269 ( -8.339 14.484 -0.062) 16.713 12.055 ( 7.824 -12.320 0.169) 14.595 12.984 ( 0.097 -0.116 -0.636) 0.654 14.298 ( -11.167 19.280 0.107) 22.281 17.587 ( 4.539 -8.025 0.532) 9.235 18.600 ( 5.943 -10.719 -0.608) 12.271======================= Grid point 24 (17/344) =======================q-point: (-0.40 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.605 ( -8.354 3.782 -1.418) 9.279 3.314 ( -10.014 -8.206 -4.036) 13.562 3.605 ( -9.162 1.605 -0.829) 9.338 4.034 ( 1.436 10.442 -2.125) 10.752 5.053 ( -3.465 -2.656 0.467) 4.391 5.218 ( -3.498 -3.548 3.478) 6.077 5.868 ( -3.061 -1.926 -7.208) 8.064 6.083 ( 3.718 -4.795 -1.242) 6.193 6.567 ( 1.311 -7.077 1.177) 7.293 7.923 ( -4.480 0.673 -3.061) 5.467 8.333 ( 2.314 -0.806 -0.093) 2.452 8.526 ( 7.556 8.704 11.115) 16.012 11.307 ( -3.256 13.910 0.032) 14.286 12.187 ( 16.539 -4.410 2.541) 17.304 13.025 ( 4.304 1.454 -0.962) 4.644 14.281 ( -11.912 17.261 0.059) 20.972 17.562 ( 1.474 -8.048 0.647) 8.208 18.621 ( 8.410 -9.131 -1.852) 12.551======================= Grid point 25 (18/344) =======================q-point: (-0.33 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.451 ( -12.397 1.600 -1.835) 12.634 2.950 ( -21.176 -6.846 -4.702) 22.746 3.505 ( -4.194 -2.594 0.905) 5.014 4.041 ( -8.582 4.280 -4.867) 10.754 4.942 ( -6.563 -4.704 2.754) 8.531 5.135 ( -3.453 -1.904 3.047) 4.983 5.766 ( -2.796 -0.890 -8.127) 8.641 6.108 ( 4.838 -3.980 -1.619) 6.470 6.508 ( -0.462 -7.628 3.250) 8.305 7.912 ( 1.166 3.482 -1.817) 4.097 8.313 ( -1.843 -1.390 -0.732) 2.421 8.802 ( 9.710 7.697 9.551) 15.644 11.433 ( 3.390 11.746 0.239) 12.228 12.514 ( 21.151 2.610 4.466) 21.774 13.151 ( 9.206 1.973 -1.127) 9.482 14.237 ( -10.904 13.468 0.025) 17.329 17.486 ( -2.575 -5.957 0.832) 6.543 18.685 ( 9.557 -7.716 -2.942) 12.631======================= Grid point 26 (19/344) =======================q-point: (-0.27 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.211 ( -16.592 0.317 -1.404) 16.654 2.468 ( -25.902 -7.644 -3.634) 27.249 3.383 ( -5.808 -7.497 0.013) 9.484 3.799 ( -20.318 1.510 -5.615) 21.133 4.727 ( -13.483 -8.730 4.467) 16.672 5.100 ( -0.866 0.174 1.601) 1.828 5.772 ( 4.966 4.687 -3.825) 7.826 6.155 ( 5.037 -2.209 -1.834) 5.798 6.441 ( -0.082 -7.412 6.080) 9.587 7.985 ( 4.019 2.521 -3.311) 5.785 8.259 ( -2.959 -0.214 -0.963) 3.119 9.033 ( 6.819 5.224 6.037) 10.499 11.642 ( 8.361 10.000 0.417) 13.042 12.945 ( 22.508 5.676 5.558) 23.869 13.365 ( 14.542 1.811 -0.850) 14.679 14.183 ( -8.507 9.158 0.024) 12.499 17.368 ( -6.597 -2.997 1.165) 7.339 18.760 ( 8.479 -6.559 -3.667) 11.330======================= Grid point 27 (20/344) =======================q-point: (-0.20 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.890 ( -22.613 -0.058 -0.440) 22.617 1.922 ( -27.202 -8.451 -2.283) 28.575 3.076 ( -20.365 -14.493 -4.254) 25.355 3.463 ( -18.074 5.036 -1.698) 18.839 4.355 ( -20.379 -10.548 3.222) 23.172 5.110 ( 0.746 0.592 1.551) 1.820 5.969 ( 10.128 6.204 -1.476) 11.969 6.231 ( 4.396 3.396 -2.444) 6.069 6.436 ( 6.437 -6.685 11.643) 14.889 8.041 ( 3.076 -1.880 -4.786) 5.992 8.217 ( -2.398 2.613 -2.495) 4.336 9.162 ( 2.259 2.431 2.886) 4.398 11.893 ( 10.632 7.832 0.490) 13.214 13.373 ( 19.556 4.313 4.085) 20.438 13.675 ( 20.280 2.000 0.971) 20.402 14.137 ( -5.277 5.792 0.182) 7.838 17.221 ( -9.390 -0.427 1.914) 9.593 18.805 ( 5.106 -5.492 -3.830) 8.420======================= Grid point 28 (21/344) =======================q-point: (-0.13 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.337 ( -29.998 -7.196 -0.917) 30.863 1.508 ( -25.336 0.336 0.446) 25.342 2.433 ( -36.995 -11.243 -4.783) 38.960 3.270 ( -10.751 2.757 -0.047) 11.099 3.894 ( -23.825 -8.019 1.760) 25.200 5.138 ( 1.291 0.393 1.159) 1.778 6.128 ( 6.563 -0.277 -1.389) 6.714 6.302 ( 0.208 3.601 -1.669) 3.975 6.707 ( 21.839 2.721 12.604) 25.362 8.024 ( 0.454 -3.349 -3.514) 4.876 8.200 ( -1.789 2.243 -5.037) 5.796 9.175 ( -2.713 0.154 0.822) 2.839 12.136 ( 10.592 4.336 0.386) 11.452 13.693 ( 14.533 1.505 1.137) 14.655 14.007 ( 9.874 -0.529 0.542) 9.903 14.184 ( 10.696 5.522 2.308) 12.257 17.068 ( -9.709 0.773 2.917) 10.167 18.795 ( 0.462 -3.759 -2.995) 4.828======================= Grid point 29 (22/344) =======================q-point: (-0.07 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.799 ( -28.289 -0.000 0.000) 28.289 1.056 ( -29.085 -0.000 0.000) 29.085 1.657 ( -45.866 -0.000 0.000) 45.866 3.134 ( -7.199 -0.000 0.000) 7.199 3.457 ( -22.484 -0.000 0.000) 22.484 5.163 ( 1.111 0.000 -0.000) 1.111 6.219 ( 5.243 0.000 -0.000) 5.243 6.318 ( 0.228 0.000 -0.000) 0.228 7.166 ( 24.863 0.000 -0.000) 24.863 7.995 ( -0.638 -0.000 0.000) 0.638 8.153 ( -3.702 -0.000 0.000) 3.702 9.095 ( -6.244 -0.000 0.000) 6.244 12.322 ( 8.738 0.000 -0.000) 8.738 13.903 ( 9.305 0.000 -0.000) 9.305 14.043 ( 0.044 0.000 -0.000) 0.044 14.522 ( 19.193 0.000 -0.000) 19.193 16.936 ( -7.123 -0.000 0.000) 7.123 18.743 ( -3.154 -0.000 0.000) 3.154======================= Grid point 32 (23/344) =======================q-point: ( 0.13 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.122 ( -0.000 24.046 13.048) 27.358 1.203 ( -0.000 24.363 8.754) 25.888 1.905 ( -0.000 43.599 3.850) 43.769 3.116 ( 0.000 5.865 -1.979) 6.190 3.629 ( -0.000 25.891 0.043) 25.892 5.138 ( 0.000 0.008 -3.179) 3.179 6.165 ( 0.000 -5.775 -4.292) 7.195 6.262 ( 0.000 -1.404 -0.184) 1.416 7.425 ( -0.000 -27.411 22.498) 35.461 7.984 ( 0.000 -0.533 -0.392) 0.662 8.028 ( 0.000 3.356 -1.416) 3.642 9.108 ( 0.000 5.446 -2.024) 5.810 12.272 ( -0.000 -10.873 1.094) 10.928 13.859 ( 0.000 -9.714 -1.386) 9.812 14.036 ( 0.000 0.001 -0.576) 0.576 14.325 ( 0.000 -18.127 -13.311) 22.489 17.021 ( -0.000 16.367 1.134) 16.407 18.599 ( 0.000 2.389 -15.367) 15.552======================= Grid point 33 (24/344) =======================q-point: ( 0.20 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.412 ( 6.310 25.395 7.983) 27.357 1.581 ( 10.229 21.099 6.771) 24.406 2.430 ( 12.947 33.967 3.730) 36.541 3.244 ( 7.682 7.905 -2.447) 11.291 3.909 ( 3.846 25.149 0.023) 25.442 5.127 ( -0.831 1.181 -2.304) 2.719 6.094 ( -0.051 -5.982 -1.640) 6.203 6.251 ( 0.706 -2.796 -2.411) 3.759 6.957 ( -26.080 -15.432 9.278) 31.692 7.995 ( 2.156 -1.564 1.391) 3.005 8.177 ( 8.759 -1.916 2.857) 9.411 9.159 ( 1.165 2.871 -2.381) 3.908 12.148 ( -2.217 -11.211 0.752) 11.453 13.686 ( -6.683 -12.416 -2.372) 14.298 13.951 ( -7.436 -13.092 -7.087) 16.641 14.139 ( 1.993 -4.805 -4.323) 6.764 17.179 ( -0.148 13.265 7.564) 15.271 18.622 ( 5.455 -0.555 -13.076) 14.179======================= Grid point 34 (25/344) =======================q-point: ( 0.27 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.859 ( 14.884 23.095 3.555) 27.705 1.965 ( 9.558 20.430 5.351) 23.181 2.930 ( 14.216 16.907 1.827) 22.165 3.504 ( 11.376 14.277 -2.108) 18.377 4.235 ( 8.362 19.983 -0.146) 21.663 5.123 ( -1.210 2.618 -0.493) 2.926 6.030 ( -1.909 -5.244 0.492) 5.602 6.200 ( 0.560 -7.729 -4.910) 9.174 6.486 ( -18.922 -3.883 6.824) 20.486 8.026 ( 2.549 -2.270 2.058) 3.986 8.254 ( 2.496 -1.962 1.883) 3.692 9.157 ( -2.082 -0.473 -3.843) 4.396 11.985 ( -5.882 -8.823 0.456) 10.613 13.397 ( -11.785 -12.759 -5.077) 18.095 13.608 ( -7.899 -19.673 -5.798) 21.978 14.194 ( 2.833 5.545 -0.713) 6.267 17.315 ( -0.775 10.844 7.347) 13.122 18.641 ( 4.904 -7.441 -7.293) 11.515======================= Grid point 35 (26/344) =======================q-point: ( 0.33 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.265 ( 9.448 14.723 4.381) 18.034 2.405 ( 15.028 24.957 1.025) 29.150 3.232 ( 10.371 4.529 -0.733) 11.341 3.855 ( 11.408 16.669 -2.242) 20.323 4.554 ( 9.926 13.263 0.137) 16.567 5.134 ( -1.257 3.314 1.348) 3.792 5.913 ( -6.195 -1.982 2.540) 6.983 6.118 ( 1.820 -10.696 1.748) 10.989 6.322 ( -3.431 1.174 2.202) 4.243 8.030 ( -0.428 -2.488 1.787) 3.093 8.272 ( 1.417 -0.216 0.714) 1.602 9.045 ( -6.979 -3.380 -6.449) 10.086 11.789 ( -8.693 -5.893 0.302) 10.507 13.008 ( -17.103 -12.041 -7.331) 22.164 13.329 ( -3.546 -15.664 -1.388) 16.120 14.319 ( 2.065 11.782 -0.314) 11.965 17.403 ( -1.314 6.435 5.235) 8.399 18.590 ( 3.829 -14.252 -2.981) 15.055======================= Grid point 36 (27/344) =======================q-point: ( 0.40 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.539 ( 5.459 13.224 4.571) 15.019 2.874 ( 13.518 20.334 -2.197) 24.516 3.407 ( 8.454 2.206 -1.268) 8.828 4.134 ( 4.949 13.057 -4.457) 14.658 4.811 ( 8.224 7.313 1.832) 11.157 5.150 ( -0.660 2.566 2.342) 3.536 5.877 ( -0.263 2.137 7.225) 7.539 6.054 ( 0.858 -9.345 4.217) 10.288 6.335 ( 4.000 -2.068 -0.331) 4.515 7.986 ( -2.632 -0.396 0.675) 2.746 8.312 ( 2.468 0.417 1.559) 2.948 8.825 ( -10.963 -5.040 -8.932) 15.013 11.608 ( -7.427 -2.220 0.308) 7.758 12.572 ( -18.213 -11.140 -6.005) 22.178 13.160 ( -2.964 -7.991 -0.324) 8.529 14.482 ( -0.510 18.686 -0.102) 18.693 17.430 ( -0.449 -0.455 3.114) 3.179 18.488 ( 4.417 -19.042 -0.717) 19.561======================= Grid point 37 (28/344) =======================q-point: ( 0.47 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.731 ( 1.011 12.042 3.467) 12.572 3.187 ( 8.539 6.864 -4.205) 11.735 3.601 ( 8.896 10.096 -0.793) 13.479 4.228 ( -5.516 11.080 -6.145) 13.818 4.978 ( 5.407 2.363 2.361) 6.355 5.194 ( 2.271 0.901 5.022) 5.585 5.925 ( 0.589 -1.644 4.663) 4.979 6.013 ( 1.780 -4.830 4.356) 6.743 6.388 ( 6.297 -5.561 -0.114) 8.402 7.975 ( 0.239 2.837 1.444) 3.192 8.362 ( 1.866 0.323 3.363) 3.860 8.545 ( -12.160 -4.526 -9.985) 16.372 11.525 ( -3.227 4.153 0.630) 5.296 12.161 ( -15.729 -10.635 -4.062) 19.416 13.062 ( -3.506 -1.295 -0.290) 3.749 14.645 ( -5.884 25.136 0.133) 25.815 17.410 ( 2.522 -8.223 1.641) 8.756 18.381 ( 6.594 -21.058 -0.093) 22.067======================= Grid point 38 (29/344) =======================q-point: ( 0.53 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.820 ( -4.060 9.922 0.957) 10.764 3.298 ( 5.388 -2.855 -2.808) 6.713 3.853 ( 5.237 13.108 -2.425) 14.323 4.151 ( -12.875 12.523 -5.551) 18.799 5.063 ( 2.985 -0.693 1.418) 3.377 5.245 ( 1.588 -2.587 6.750) 7.401 5.897 ( 0.927 -5.800 0.841) 5.933 6.014 ( -0.069 -2.168 -0.433) 2.212 6.429 ( 6.090 -7.992 0.803) 10.080 8.053 ( 2.836 2.907 2.353) 4.694 8.289 ( -8.949 0.535 -4.376) 9.976 8.420 ( 2.224 0.095 2.710) 3.507 11.583 ( -2.843 15.592 0.789) 15.869 11.841 ( -5.253 -13.923 -1.693) 14.977 13.012 ( -3.079 2.687 -0.749) 4.154 14.751 ( -12.817 28.125 0.345) 30.909 17.381 ( 6.384 -13.237 0.990) 14.729 18.311 ( 9.543 -20.733 -0.590) 22.832======================= Grid point 39 (30/344) =======================q-point: (-0.40 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.794 ( -8.129 6.307 -1.544) 10.404 3.317 ( 0.796 -3.187 -1.154) 3.481 3.836 ( -14.227 3.444 -4.252) 15.242 4.165 ( -2.224 17.461 -3.753) 17.998 5.067 ( -0.904 -2.921 1.162) 3.271 5.234 ( -1.079 -4.316 5.921) 7.406 5.860 ( -0.138 -3.422 -3.996) 5.263 5.966 ( 0.802 -5.811 -3.205) 6.684 6.440 ( 4.417 -8.922 1.623) 10.087 8.022 ( -6.031 1.235 -0.584) 6.183 8.286 ( 2.930 2.277 -1.698) 4.081 8.515 ( 5.924 4.060 8.589) 11.196 11.564 ( -10.443 7.466 -1.087) 12.884 11.885 ( 15.157 1.644 2.646) 15.474 13.005 ( -0.902 3.626 -1.431) 4.001 14.753 ( -17.976 25.207 0.471) 30.964 17.381 ( 7.951 -12.373 0.989) 14.740 18.301 ( 12.541 -18.900 -1.639) 22.742======================= Grid point 40 (31/344) =======================q-point: (-0.33 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.669 ( -11.025 2.968 -2.466) 11.681 3.216 ( -12.839 0.865 -1.722) 12.983 3.592 ( -11.366 -2.482 -1.706) 11.758 4.232 ( -6.665 11.944 -4.680) 14.456 4.995 ( -3.902 -4.308 2.415) 6.294 5.180 ( -2.773 -2.712 4.221) 5.733 5.781 ( -3.175 -1.049 -8.592) 9.220 5.949 ( 5.667 -7.387 -1.459) 9.424 6.416 ( 2.324 -8.724 2.327) 9.323 7.970 ( -3.107 4.151 0.866) 5.256 8.308 ( 0.239 -1.172 -1.731) 2.104 8.740 ( 9.772 6.068 8.500) 14.303 11.517 ( -0.919 4.127 -0.191) 4.232 12.241 ( 17.841 10.203 3.767) 20.894 13.045 ( 3.293 1.674 -2.091) 4.245 14.649 ( -18.875 17.791 0.511) 25.943 17.405 ( 5.193 -7.036 1.259) 8.835 18.355 ( 14.717 -15.767 -2.638) 21.729======================= Grid point 41 (32/344) =======================q-point: (-0.27 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.472 ( -13.773 0.882 -1.988) 13.944 2.877 ( -26.802 1.762 -2.047) 26.938 3.417 ( -5.751 -6.086 -0.327) 8.379 4.123 ( -15.252 6.638 -4.179) 17.150 4.855 ( -8.852 -6.099 3.534) 11.315 5.131 ( -2.176 -0.423 1.968) 2.964 5.743 ( 1.774 3.693 -5.237) 6.649 5.988 ( 7.666 -6.746 -2.305) 10.468 6.372 ( 0.915 -7.332 3.080) 8.006 7.987 ( -0.533 3.798 0.571) 3.877 8.282 ( -0.999 -1.084 -1.180) 1.889 8.974 ( 8.542 4.489 5.345) 11.031 11.607 ( 6.044 4.741 0.242) 7.685 12.680 ( 19.653 11.650 4.592) 23.304 13.139 ( 9.616 -2.379 -2.646) 10.253 14.488 ( -15.974 9.896 0.465) 18.796 17.411 ( -0.333 -1.803 1.373) 2.291 18.465 ( 14.670 -11.136 -2.969) 18.656======================= Grid point 42 (33/344) =======================q-point: (-0.20 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.211 ( -17.188 -0.372 -0.935) 17.217 2.386 ( -31.168 0.203 -0.960) 31.183 3.228 ( -10.978 -5.613 -0.769) 12.354 3.846 ( -21.180 3.682 -2.067) 21.597 4.594 ( -16.193 -5.604 2.009) 17.253 5.114 ( -0.395 0.220 0.786) 0.907 5.884 ( 7.569 6.975 -0.422) 10.302 6.075 ( 11.816 -4.248 -2.609) 12.825 6.334 ( 0.716 -5.163 3.473) 6.264 8.007 ( -0.144 0.903 -0.679) 1.139 8.256 ( -1.166 0.317 -0.768) 1.432 9.134 ( 5.098 2.064 2.159) 5.909 11.788 ( 9.560 3.917 0.218) 10.334 13.123 ( 17.859 8.699 4.186) 20.302 13.324 ( 18.968 -4.752 -2.523) 19.717 14.326 ( -11.166 4.046 0.304) 11.881 17.359 ( -5.692 0.505 1.068) 5.814 18.598 ( 11.482 -5.507 -2.167) 12.917======================= Grid point 43 (34/344) =======================q-point: (-0.13 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.826 ( -30.374 -0.000 0.000) 30.374 1.909 ( -22.915 -0.000 0.000) 22.915 2.903 ( -24.672 -0.000 0.000) 24.672 3.523 ( -17.716 -0.000 0.000) 17.716 4.245 ( -21.678 -0.000 0.000) 21.678 5.122 ( 0.913 0.000 -0.000) 0.913 6.025 ( 5.879 0.000 -0.000) 5.879 6.316 ( 0.072 0.000 -0.000) 0.072 6.352 ( 21.370 0.000 -0.000) 21.370 8.002 ( -0.175 -0.000 0.000) 0.175 8.236 ( -1.583 -0.000 0.000) 1.583 9.197 ( 0.898 0.000 -0.000) 0.898 11.980 ( 10.570 0.000 -0.000) 10.570 13.440 ( 16.119 0.000 -0.000) 16.119 13.681 ( 23.787 0.000 -0.000) 23.787 14.204 ( -5.472 -0.000 0.000) 5.472 17.238 ( -9.037 -0.000 0.000) 9.037 18.717 ( 5.998 0.000 -0.000) 5.998======================= Grid point 48 (35/344) =======================q-point: ( 0.20 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.643 ( -0.000 22.549 6.989) 23.608 1.678 ( -0.000 19.432 6.244) 20.410 2.694 ( -0.000 35.438 0.883) 35.449 3.232 ( 0.000 7.310 -2.065) 7.596 4.132 ( -0.000 24.969 -0.679) 24.978 5.155 ( -0.000 3.742 -0.056) 3.743 6.016 ( 0.000 -7.967 -1.329) 8.077 6.224 ( 0.000 -2.270 -0.782) 2.401 7.047 ( -0.000 -21.403 9.545) 23.435 7.967 ( -0.000 -1.678 2.490) 3.003 8.101 ( 0.000 4.957 -0.618) 4.996 9.163 ( 0.000 1.535 -2.289) 2.756 12.032 ( 0.000 -14.269 0.645) 14.283 13.614 ( 0.000 -13.383 -3.548) 13.846 13.868 ( 0.000 -21.070 -9.020) 22.919 14.037 ( 0.000 0.373 -0.217) 0.432 17.330 ( -0.000 9.950 13.477) 16.752 18.548 ( 0.000 3.722 -17.300) 17.696======================= Grid point 49 (36/344) =======================q-point: ( 0.27 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.914 ( 6.646 22.285 2.818) 23.425 1.982 ( 10.288 15.960 6.099) 19.944 3.009 ( 1.209 23.625 -1.281) 23.691 3.406 ( 11.467 10.628 -2.703) 15.866 4.371 ( 1.769 21.634 -0.292) 21.708 5.196 ( -1.732 6.606 2.545) 7.288 5.948 ( 2.114 -9.289 0.721) 9.554 6.167 ( -3.326 -4.085 -1.586) 5.501 6.745 ( -14.643 -10.933 5.916) 19.208 7.976 ( 1.770 -1.123 1.928) 2.848 8.191 ( 3.610 2.254 0.461) 4.281 9.159 ( -0.461 -1.041 -2.919) 3.133 11.909 ( 1.339 -13.430 0.436) 13.504 13.411 ( -6.376 -13.251 -3.664) 15.155 13.531 ( -9.225 -21.645 -7.246) 24.620 14.135 ( 8.091 2.262 -0.256) 8.406 17.457 ( -0.532 7.833 13.004) 15.190 18.527 ( -0.080 0.204 -13.569) 13.571======================= Grid point 50 (37/344) =======================q-point: ( 0.33 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.251 ( 9.271 15.414 2.872) 18.215 2.392 ( 16.079 19.982 2.793) 25.799 3.185 ( 2.042 10.396 -2.811) 10.961 3.746 ( 15.259 12.018 -5.096) 20.080 4.607 ( 3.521 17.262 1.644) 17.694 5.234 ( -3.566 7.762 4.098) 9.474 5.911 ( 3.878 -9.991 2.411) 10.985 6.033 ( -5.506 -5.136 0.804) 7.572 6.487 ( -11.086 -1.018 4.998) 12.203 8.008 ( 1.876 -0.326 1.064) 2.181 8.241 ( 1.230 0.382 -0.389) 1.345 9.086 ( -4.274 -3.866 -5.074) 7.678 11.802 ( -1.559 -10.044 0.625) 10.183 13.117 ( -12.222 -14.367 -10.475) 21.576 13.198 ( -2.461 -16.922 1.319) 17.151 14.327 ( 8.671 8.283 -0.176) 11.993 17.534 ( -2.820 5.198 9.923) 11.551 18.435 ( -2.256 -7.793 -8.246) 11.568======================= Grid point 51 (38/344) =======================q-point: ( 0.40 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.542 ( 8.874 10.936 4.348) 14.739 2.876 ( 14.603 23.089 -1.524) 27.362 3.286 ( 4.905 2.311 -3.373) 6.386 4.072 ( 13.010 9.619 -7.320) 17.758 4.825 ( 3.661 12.346 4.325) 13.584 5.241 ( -5.062 5.764 3.387) 8.385 5.892 ( 4.078 -10.521 3.668) 11.865 5.952 ( -1.187 -1.129 6.972) 7.162 6.361 ( -6.156 0.752 3.194) 6.976 8.025 ( -0.825 1.441 -0.248) 1.679 8.264 ( 2.332 -0.501 -0.258) 2.399 8.907 ( -8.463 -5.896 -7.703) 12.873 11.660 ( -4.976 -7.296 1.022) 8.890 12.728 ( -13.887 -13.301 -8.566) 21.051 13.091 ( 2.222 -7.068 1.374) 7.535 14.583 ( 8.131 15.568 -0.115) 17.564 17.518 ( -6.110 1.006 6.515) 8.989 18.257 ( -1.603 -16.892 -4.173) 17.473======================= Grid point 52 (39/344) =======================q-point: ( 0.47 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.787 ( 6.705 9.006 5.067) 12.318 3.182 ( 0.464 11.226 -6.771) 13.118 3.486 ( 15.978 9.466 -1.638) 18.644 4.310 ( 6.729 9.993 -8.158) 14.549 4.978 ( 1.060 6.488 6.232) 9.059 5.215 ( -2.894 1.910 3.213) 4.727 5.859 ( 2.653 -10.612 4.300) 11.754 5.998 ( 1.485 2.041 8.545) 8.910 6.300 ( -1.608 -2.203 1.785) 3.259 8.023 ( -1.516 4.117 -0.849) 4.468 8.309 ( 3.814 -1.479 0.828) 4.174 8.657 ( -10.547 -5.954 -8.678) 14.899 11.541 ( -1.854 -4.529 1.791) 5.211 12.346 ( -15.069 -9.569 -6.707) 19.069 13.109 ( 0.511 3.110 1.001) 3.307 14.891 ( 5.552 23.387 0.127) 24.037 17.393 ( -7.862 -5.382 3.481) 10.143 18.055 ( 3.249 -24.328 -1.639) 24.599======================= Grid point 53 (40/344) =======================q-point: ( 0.53 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.958 ( 0.845 8.522 3.900) 9.410 3.201 ( 1.425 -0.262 -5.824) 6.002 3.853 ( 11.225 15.729 -3.672) 19.670 4.420 ( -4.220 13.160 -7.637) 15.790 5.029 ( -0.023 0.047 5.282) 5.282 5.214 ( 0.840 -2.603 5.374) 6.030 5.810 ( 1.541 -8.891 3.837) 9.806 6.041 ( -2.053 1.726 2.206) 3.473 6.274 ( 2.935 -6.527 2.280) 7.511 8.067 ( 1.050 5.653 0.664) 5.788 8.353 ( 2.445 -3.451 -2.116) 4.729 8.422 ( -7.386 -1.889 -2.941) 8.171 11.539 ( 4.561 -2.946 2.723) 6.074 12.013 ( -13.624 -3.458 -5.022) 14.926 13.147 ( -4.379 10.292 0.272) 11.189 15.187 ( -2.833 30.114 0.515) 30.251 17.206 ( -3.129 -13.117 1.579) 13.577 17.904 ( 9.464 -27.455 -0.821) 29.052======================= Grid point 54 (41/344) =======================q-point: (-0.40 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.970 ( -6.881 4.600 -1.445) 8.402 3.246 ( 4.939 -0.302 -0.261) 4.955 4.055 ( -4.213 10.525 -5.180) 12.465 4.412 ( -7.988 16.810 -5.552) 19.422 5.034 ( 1.020 -3.976 3.116) 5.153 5.208 ( 0.839 -5.307 6.346) 8.315 5.775 ( 2.232 -6.726 2.506) 7.517 5.967 ( -5.546 -1.187 -5.535) 7.925 6.284 ( 4.761 -7.556 3.144) 9.468 8.119 ( -2.751 2.997 0.996) 4.189 8.273 ( -0.562 0.428 -4.976) 5.026 8.458 ( 5.943 0.520 5.531) 8.136 11.569 ( 1.812 -9.517 0.846) 9.725 11.888 ( -0.116 10.139 -0.829) 10.173 13.154 ( -7.769 12.179 -0.609) 14.459 15.323 ( -16.788 28.927 0.767) 33.454 17.107 ( 7.794 -13.872 1.039) 15.945 17.841 ( 14.708 -26.411 -1.312) 30.259======================= Grid point 55 (42/344) =======================q-point: (-0.33 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.851 ( -9.230 1.241 -2.560) 9.658 3.317 ( 1.417 2.286 1.375) 3.021 3.867 ( -20.386 2.294 -3.841) 20.871 4.458 ( -6.151 15.117 -4.996) 17.068 4.996 ( -0.808 -5.792 3.034) 6.588 5.192 ( -0.015 -3.188 4.414) 5.445 5.768 ( 1.972 -3.387 -1.878) 4.346 5.837 ( -3.240 -3.980 -4.769) 7.005 6.295 ( 3.654 -6.589 2.334) 7.888 8.078 ( -4.361 3.581 0.933) 5.720 8.279 ( 1.042 -1.064 -2.067) 2.548 8.638 ( 10.374 2.917 5.457) 12.079 11.490 ( 0.887 -6.138 -0.471) 6.220 12.129 ( 12.604 11.673 2.185) 17.318 13.120 ( -7.689 8.452 -1.380) 11.509 15.190 ( -24.538 17.161 0.647) 29.950 17.200 ( 11.933 -4.787 1.310) 12.924 17.884 ( 18.736 -21.164 -2.052) 28.340======================= Grid point 56 (43/344) =======================q-point: (-0.27 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.678 ( -11.226 0.110 -1.480) 11.324 3.312 ( -12.080 7.689 1.242) 14.373 3.485 ( -16.757 -6.811 -2.293) 18.233 4.405 ( -11.735 6.984 -2.919) 13.964 4.924 ( -3.720 -3.851 2.438) 5.883 5.169 ( -1.782 -0.684 1.695) 2.552 5.741 ( -0.068 2.608 -6.512) 7.015 5.809 ( 4.546 -6.312 1.668) 7.956 6.297 ( 2.166 -4.010 1.430) 4.776 8.056 ( -2.863 2.932 1.013) 4.221 8.270 ( 0.306 -1.319 -1.032) 1.702 8.859 ( 10.610 2.151 2.999) 11.234 11.512 ( 6.175 -1.512 -0.060) 6.358 12.499 ( 17.966 8.784 2.378) 20.139 13.062 ( -3.611 1.322 -1.704) 4.206 14.896 ( -22.789 6.358 0.356) 23.662 17.352 ( 6.686 0.288 1.077) 6.778 18.052 ( 20.288 -10.717 -1.727) 23.010======================= Grid point 57 (44/344) =======================q-point: (-0.20 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.467 ( -13.823 -0.000 0.000) 13.823 2.916 ( -30.997 -0.000 0.000) 30.997 3.334 ( -5.099 -0.000 0.000) 5.099 4.188 ( -17.152 -0.000 0.000) 17.152 4.794 ( -10.166 -0.000 0.000) 10.166 5.135 ( -1.839 -0.000 0.000) 1.839 5.837 ( 8.606 0.000 -0.000) 8.606 5.838 ( 4.715 0.000 -0.000) 4.715 6.305 ( 0.936 0.000 -0.000) 0.936 8.033 ( -1.856 -0.000 0.000) 1.856 8.264 ( -0.121 -0.000 0.000) 0.121 9.036 ( 8.301 0.000 -0.000) 8.301 11.644 ( 9.317 0.000 -0.000) 9.317 12.893 ( 21.913 0.000 -0.000) 21.913 13.049 ( 3.945 0.000 -0.000) 3.945 14.586 ( -17.314 -0.000 0.000) 17.314 17.413 ( 0.061 0.000 -0.000) 0.061 18.321 ( 17.245 0.000 -0.000) 17.245======================= Grid point 64 (45/344) =======================q-point: ( 0.27 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.038 ( -0.000 14.395 3.854) 14.902 2.077 ( -0.000 18.956 2.261) 19.090 3.252 ( 0.000 22.606 -4.558) 23.061 3.362 ( 0.000 7.132 -1.747) 7.343 4.552 ( -0.000 18.807 -0.471) 18.812 5.312 ( -0.000 10.408 5.739) 11.886 5.829 ( -0.000 -11.601 2.197) 11.807 6.165 ( 0.000 -2.939 -1.354) 3.236 6.755 ( 0.000 -11.922 0.660) 11.940 7.968 ( -0.000 -0.174 4.376) 4.379 8.209 ( -0.000 5.893 0.666) 5.930 9.138 ( 0.000 -2.349 -2.376) 3.341 11.743 ( 0.000 -15.252 -0.085) 15.252 13.321 ( 0.000 -13.055 -6.082) 14.402 13.397 ( 0.000 -22.867 -3.969) 23.209 14.048 ( -0.000 0.745 0.225) 0.779 17.568 ( -0.000 5.367 13.339) 14.378 18.519 ( 0.000 3.741 -13.142) 13.664======================= Grid point 65 (46/344) =======================q-point: ( 0.33 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.278 ( 7.968 11.662 4.916) 14.955 2.309 ( 9.785 17.397 -1.210) 19.996 3.313 ( -4.570 10.987 -4.036) 12.566 3.594 ( 12.540 9.729 -5.207) 16.704 4.735 ( 1.460 16.164 1.212) 16.275 5.412 ( -3.344 10.530 7.611) 13.416 5.746 ( 2.562 -11.562 2.933) 12.200 6.091 ( -4.384 -2.726 -0.570) 5.194 6.613 ( -5.236 -5.210 0.044) 7.387 7.992 ( 0.700 1.121 3.567) 3.804 8.261 ( -0.805 4.186 0.574) 4.301 9.084 ( -2.105 -4.317 -3.473) 5.927 11.652 ( 5.205 -12.793 -0.026) 13.811 13.057 ( -9.448 -22.237 -5.773) 24.841 13.147 ( -4.001 -11.340 -2.780) 12.343 14.190 ( 12.989 3.171 0.215) 13.372 17.640 ( -1.502 2.839 10.639) 11.113 18.461 ( -6.105 0.884 -9.264) 11.130======================= Grid point 66 (47/344) =======================q-point: ( 0.40 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.519 ( 7.308 10.416 3.629) 13.232 2.737 ( 20.907 14.662 -1.364) 25.572 3.320 ( -3.412 6.739 -4.744) 8.919 3.880 ( 14.811 6.050 -6.596) 17.305 4.915 ( 2.003 12.926 2.978) 13.415 5.439 ( -6.722 7.194 6.852) 11.995 5.705 ( 3.846 -10.503 3.323) 11.668 6.015 ( -2.741 0.477 3.859) 4.757 6.492 ( -6.276 -0.833 1.275) 6.458 8.034 ( 1.218 2.127 1.770) 3.023 8.265 ( -1.900 2.185 -0.112) 2.898 8.946 ( -6.204 -6.410 -6.159) 10.840 11.627 ( 1.936 -7.768 0.619) 8.029 12.686 ( -6.573 -20.788 -6.510) 22.754 13.005 ( -0.107 -6.538 -0.354) 6.548 14.503 ( 16.286 9.557 0.124) 18.883 17.628 ( -4.417 -1.819 7.818) 9.162 18.260 ( -12.409 -4.784 -5.830) 14.521======================= Grid point 67 (48/344) =======================q-point: ( 0.47 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.748 ( 7.995 7.630 3.733) 11.665 3.241 ( 22.659 9.664 -2.517) 24.762 3.296 ( -3.722 7.948 -5.483) 10.349 4.162 ( 14.875 5.019 -6.420) 16.961 5.058 ( 0.890 8.407 4.168) 9.425 5.376 ( -9.297 4.305 4.528) 11.201 5.691 ( 4.803 -10.179 3.950) 11.928 6.036 ( 0.247 2.743 7.606) 8.089 6.385 ( -6.729 -0.158 1.976) 7.015 8.078 ( 0.106 3.894 -0.004) 3.895 8.258 ( 0.074 0.060 -0.047) 0.106 8.725 ( -8.757 -7.193 -7.943) 13.839 11.555 ( -3.329 -3.688 1.969) 5.344 12.377 ( -6.839 -16.551 -7.220) 19.309 13.055 ( 8.597 0.788 1.342) 8.737 14.909 ( 16.235 17.568 0.191) 23.922 17.507 ( -7.273 -7.049 5.511) 11.530 17.928 ( -14.523 -12.582 -3.729) 19.574======================= Grid point 68 (49/344) =======================q-point: ( 0.53 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.955 ( 7.496 5.366 3.718) 9.940 3.223 ( -4.078 0.286 -5.301) 6.694 3.732 ( 19.085 14.486 -3.819) 24.262 4.424 ( 11.543 6.572 -6.038) 14.591 5.120 ( -3.046 3.810 5.339) 7.232 5.258 ( -8.131 0.394 3.253) 8.767 5.687 ( 4.067 -8.973 3.763) 10.546 6.093 ( 0.143 2.232 5.933) 6.341 6.273 ( -6.335 -1.870 2.008) 6.903 8.121 ( -0.127 5.949 -0.311) 5.958 8.267 ( 2.243 -2.688 -0.718) 3.573 8.496 ( -7.379 -5.331 -5.996) 10.901 11.504 ( -0.964 -0.236 3.643) 3.776 12.089 ( -7.543 -11.965 -6.645) 15.628 13.251 ( 6.580 8.841 0.998) 11.066 15.375 ( 13.388 25.690 0.518) 28.973 17.281 ( -13.061 -8.342 3.227) 15.830 17.554 ( -4.971 -24.586 -2.302) 25.189======================= Grid point 69 (50/344) =======================q-point: ( 0.60 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.094 ( -2.601 2.979 0.772) 4.029 3.158 ( 3.693 0.025 -1.942) 4.172 4.106 ( 10.130 11.905 -4.407) 16.241 4.611 ( 2.479 10.302 -6.111) 12.232 5.046 ( -7.310 -1.676 5.237) 9.147 5.173 ( -1.457 -4.063 3.830) 5.771 5.681 ( 3.014 -6.415 3.138) 7.752 6.072 ( -7.645 1.420 -2.084) 8.050 6.185 ( 0.595 -4.374 4.048) 5.989 8.186 ( -0.061 5.484 1.020) 5.579 8.251 ( 0.117 -3.045 -4.074) 5.087 8.390 ( 1.584 -2.095 0.564) 2.686 11.514 ( -0.928 -0.932 3.412) 3.657 11.903 ( -0.258 -4.492 -4.429) 6.314 13.398 ( -2.764 12.567 0.279) 12.871 15.793 ( -0.601 30.707 0.977) 30.729 16.969 ( -8.968 -10.666 0.839) 13.961 17.333 ( 10.561 -29.696 -1.045) 31.536======================= Grid point 70 (51/344) =======================q-point: (-0.33 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.990 ( -7.621 0.144 -1.616) 7.792 3.273 ( 5.596 1.281 1.059) 5.838 4.183 ( -11.048 4.728 -2.762) 12.331 4.675 ( -4.392 12.263 -4.921) 13.925 4.947 ( -1.124 -6.857 3.893) 7.965 5.150 ( 1.919 -2.945 2.818) 4.505 5.692 ( 2.824 -2.995 1.777) 4.483 5.909 ( -8.898 -0.829 -3.627) 9.644 6.198 ( 2.906 -2.812 1.846) 4.445 8.180 ( -3.895 2.622 -0.025) 4.695 8.241 ( 1.301 -1.384 -1.068) 2.179 8.493 ( 9.661 0.376 1.810) 9.836 11.450 ( -2.823 -3.142 0.357) 4.239 11.996 ( 11.283 2.196 -0.252) 11.498 13.385 ( -10.828 8.432 -0.195) 13.725 15.783 ( -26.523 14.469 0.605) 30.219 16.970 ( 12.559 1.986 0.960) 12.751 17.327 ( 20.393 -22.958 -1.363) 30.738======================= Grid point 71 (52/344) =======================q-point: (-0.27 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.847 ( -9.258 -0.000 0.000) 9.258 3.357 ( 3.109 0.000 -0.000) 3.109 3.875 ( -24.602 -0.000 0.000) 24.602 4.618 ( -9.336 -0.000 0.000) 9.336 4.924 ( 1.103 0.000 -0.000) 1.103 5.176 ( 1.057 0.000 -0.000) 1.057 5.726 ( 2.554 0.000 -0.000) 2.554 5.778 ( -4.665 -0.000 0.000) 4.665 6.236 ( 2.966 0.000 -0.000) 2.966 8.130 ( -3.773 -0.000 0.000) 3.773 8.249 ( 0.940 0.000 -0.000) 0.940 8.685 ( 11.600 0.000 -0.000) 11.600 11.424 ( 2.183 0.000 -0.000) 2.183 12.249 ( 16.219 0.000 -0.000) 16.219 13.222 ( -11.974 -0.000 0.000) 11.974 15.362 ( -28.322 -0.000 0.000) 28.322 17.207 ( 11.169 0.000 -0.000) 11.169 17.603 ( 24.724 0.000 -0.000) 24.724======================= Grid point 80 (53/344) =======================q-point: ( 0.33 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.291 ( -0.000 9.913 2.146) 10.143 2.408 ( -0.000 14.758 -0.301) 14.761 3.477 ( 0.000 5.645 -1.307) 5.794 3.503 ( 0.000 8.753 -8.856) 12.452 4.878 ( -0.000 14.731 1.968) 14.862 5.515 ( -0.000 -5.474 10.301) 11.665 5.687 ( -0.000 5.323 1.826) 5.628 6.100 ( 0.000 -2.676 -1.339) 2.992 6.585 ( 0.000 -5.044 -3.900) 6.376 8.024 ( -0.000 2.447 5.474) 5.996 8.325 ( -0.000 5.149 1.275) 5.304 9.050 ( 0.000 -4.739 -2.534) 5.374 11.459 ( 0.000 -13.365 -0.480) 13.374 12.935 ( 0.000 -20.137 -5.913) 20.987 13.064 ( 0.000 -11.241 -1.613) 11.357 14.067 ( -0.000 0.900 0.427) 0.996 17.714 ( -0.000 2.605 7.932) 8.349 18.517 ( 0.000 2.589 -6.438) 6.939======================= Grid point 81 (54/344) =======================q-point: ( 0.40 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.491 ( 10.466 7.453 4.041) 13.469 2.586 ( 7.249 12.622 -3.194) 14.902 3.435 ( -4.527 5.237 -4.642) 8.335 3.681 ( 11.413 3.532 -5.566) 13.180 5.025 ( 0.657 12.238 2.396) 12.488 5.462 ( 2.159 -11.768 8.219) 14.516 5.750 ( -5.326 10.295 2.730) 11.908 6.060 ( -1.205 -0.559 1.189) 1.783 6.528 ( -0.920 -2.723 -3.432) 4.477 8.066 ( -0.341 3.381 4.791) 5.873 8.346 ( -3.112 3.736 0.961) 4.956 8.957 ( -4.198 -5.908 -4.029) 8.293 11.432 ( 9.571 -9.397 -0.228) 13.415 12.619 ( -10.679 -18.962 -4.036) 22.133 12.946 ( -1.177 -7.748 -1.842) 8.051 14.253 ( 18.221 2.970 0.325) 18.464 17.716 ( -4.602 0.039 5.246) 6.978 18.437 ( -9.877 0.892 -3.617) 10.557======================= Grid point 82 (55/344) =======================q-point: ( 0.47 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.711 ( 6.374 6.910 4.096) 10.255 2.928 ( 21.187 6.781 -4.052) 22.612 3.403 ( -3.029 5.311 -4.317) 7.485 3.915 ( 15.324 1.919 -4.477) 16.079 5.142 ( 0.155 8.462 2.201) 8.745 5.430 ( 3.248 -9.829 6.797) 12.384 5.709 ( -8.841 6.194 1.114) 10.852 6.081 ( 0.481 2.657 5.691) 6.300 6.468 ( -3.077 -1.426 -1.751) 3.817 8.111 ( 0.052 3.871 3.234) 5.045 8.313 ( -4.121 2.259 0.595) 4.737 8.770 ( -7.957 -6.988 -6.512) 12.432 11.530 ( 6.225 -2.505 0.720) 6.749 12.271 ( -6.486 -17.670 -4.358) 19.320 12.910 ( 5.452 -3.266 -0.151) 6.358 14.680 ( 25.161 8.088 0.250) 26.430 17.583 ( -9.712 -5.348 3.118) 11.517 18.180 ( -19.241 -1.438 -1.701) 19.369======================= Grid point 83 (56/344) =======================q-point: ( 0.53 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.887 ( 6.809 4.484 2.659) 8.575 3.217 ( 5.611 -1.526 -3.731) 6.909 3.525 ( 14.898 10.316 -2.866) 18.346 4.195 ( 16.979 1.858 -3.218) 17.381 5.201 ( -1.424 4.395 1.983) 5.028 5.403 ( -1.660 -4.547 4.530) 6.630 5.617 ( -5.447 0.690 1.138) 5.607 6.133 ( -0.041 2.298 5.703) 6.148 6.381 ( -5.716 -0.805 0.082) 5.773 8.163 ( 0.587 3.811 1.918) 4.306 8.266 ( -3.130 0.863 -0.392) 3.270 8.542 ( -7.914 -6.291 -6.214) 11.867 11.566 ( -1.871 3.341 3.160) 4.964 12.023 ( -3.462 -14.946 -5.785) 16.396 13.093 ( 15.965 1.604 0.778) 16.064 15.229 ( 26.945 13.821 0.330) 30.285 17.324 ( -11.391 -11.717 1.508) 16.411 17.765 ( -26.253 -3.646 -0.675) 26.513======================= Grid point 84 (57/344) =======================q-point: ( 0.60 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.043 ( 7.201 1.955 1.394) 7.591 3.188 ( -3.509 -0.617 -2.030) 4.101 3.922 ( 19.690 6.134 -2.067) 20.727 4.481 ( 15.188 2.109 -2.066) 15.472 5.190 ( -3.687 1.093 1.875) 4.278 5.276 ( -11.890 -0.252 1.696) 12.013 5.583 ( 2.381 -3.237 1.328) 4.233 6.153 ( -0.868 1.024 2.193) 2.571 6.255 ( -8.784 -0.881 0.803) 8.865 8.198 ( 0.378 -0.743 0.296) 0.884 8.251 ( 0.030 4.574 -0.687) 4.625 8.373 ( -3.970 -4.631 -2.303) 6.520 11.590 ( -2.907 5.701 4.791) 7.994 11.823 ( -1.742 -10.234 -5.736) 11.861 13.394 ( 13.333 4.188 0.365) 13.980 15.828 ( 25.117 16.960 0.512) 30.311 17.031 ( -6.344 -15.609 0.212) 16.850 17.251 ( -28.633 -4.487 -0.175) 28.982======================= Grid point 85 (58/344) =======================q-point: (-0.33 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.101 ( -5.902 -0.000 0.000) 5.902 3.174 ( 6.956 0.000 -0.000) 6.956 4.214 ( 9.773 0.000 -0.000) 9.773 4.698 ( 8.288 0.000 -0.000) 8.288 5.045 ( -13.198 -0.000 0.000) 13.198 5.140 ( -2.453 -0.000 0.000) 2.453 5.624 ( 3.673 0.000 -0.000) 3.673 6.076 ( -11.169 -0.000 0.000) 11.169 6.159 ( 0.751 0.000 -0.000) 0.751 8.205 ( 1.467 0.000 -0.000) 1.467 8.261 ( -4.003 -0.000 0.000) 4.003 8.356 ( 6.402 0.000 -0.000) 6.402 11.528 ( -7.054 -0.000 0.000) 7.054 11.830 ( 8.106 0.000 -0.000) 8.106 13.537 ( -0.391 -0.000 0.000) 0.391 16.214 ( -3.410 -0.000 0.000) 3.410 16.883 ( 2.763 0.000 -0.000) 2.763 16.896 ( -0.389 -0.000 0.000) 0.389======================= Grid point 96 (59/344) =======================q-point: ( 0.40 0.40 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.454 ( -0.000 5.854 1.077) 5.952 2.647 ( -0.000 10.221 -0.766) 10.250 3.527 ( 0.000 0.844 -7.934) 7.978 3.559 ( 0.000 3.519 -0.821) 3.613 5.136 ( -0.000 10.085 1.592) 10.210 5.351 ( -0.000 -10.969 6.722) 12.865 5.925 ( -0.000 10.594 4.450) 11.491 6.050 ( 0.000 -1.673 -0.843) 1.873 6.490 ( 0.000 -2.168 -4.635) 5.117 8.122 ( -0.000 3.587 5.154) 6.279 8.414 ( -0.000 3.149 0.983) 3.299 8.935 ( 0.000 -4.995 -2.576) 5.620 11.237 ( 0.000 -9.001 -0.398) 9.010 12.560 ( 0.000 -14.537 -3.549) 14.964 12.880 ( 0.000 -6.743 -1.188) 6.847 14.086 ( -0.000 0.751 0.357) 0.832 17.785 ( -0.000 1.213 3.097) 3.326 18.528 ( 0.000 1.210 -1.741) 2.120======================= Grid point 97 (60/344) =======================q-point: ( 0.47 0.40 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.621 ( 12.678 3.760 2.452) 13.450 2.757 ( 3.755 6.901 -2.455) 8.231 3.469 ( -2.388 1.602 -3.936) 4.875 3.691 ( 10.607 0.857 -2.397) 10.908 5.221 ( 0.008 6.479 -0.033) 6.479 5.303 ( 2.540 -7.772 6.005) 10.145 5.919 ( -8.013 4.351 0.929) 9.165 6.097 ( 2.700 2.749 3.417) 5.150 6.461 ( 0.033 -1.618 -3.744) 4.079 8.167 ( -0.376 3.438 3.982) 5.274 8.410 ( -3.645 2.088 0.984) 4.315 8.820 ( -6.699 -4.902 -3.622) 9.057 11.294 ( 13.930 -4.654 -0.160) 14.688 12.300 ( -12.841 -11.127 -2.227) 17.137 12.825 ( 0.874 -3.859 -0.774) 4.032 14.302 ( 22.325 1.808 0.222) 22.399 17.730 ( -8.317 -0.505 1.602) 8.485 18.438 ( -11.260 0.412 -0.610) 11.284======================= Grid point 98 (61/344) =======================q-point: ( 0.53 0.40 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.838 ( 4.840 3.205 3.312) 6.683 2.964 ( 18.619 0.740 -3.696) 18.997 3.464 ( 1.390 2.519 -1.680) 3.332 3.913 ( 15.834 0.245 -1.409) 15.899 5.264 ( -0.582 3.742 -0.809) 3.872 5.313 ( 3.798 -4.979 4.004) 7.433 5.802 ( -9.945 2.358 0.406) 10.229 6.164 ( 0.959 1.822 3.362) 3.943 6.427 ( -1.572 -1.011 -1.831) 2.616 8.204 ( -0.106 2.754 2.334) 3.612 8.350 ( -5.235 0.932 0.754) 5.371 8.619 ( -9.517 -3.914 -3.912) 11.009 11.532 ( 13.287 1.314 0.624) 13.366 11.982 ( -11.258 -8.536 -1.902) 14.256 12.870 ( 8.814 -0.999 0.010) 8.871 14.797 ( 31.836 3.255 0.132) 32.002 17.509 ( -15.933 -2.602 0.595) 16.155 18.161 ( -21.387 -0.290 -0.105) 21.390======================= Grid point 99 (62/344) =======================q-point: (-0.40 -0.60 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.944 ( 5.964 0.000 -0.000) 5.964 3.183 ( 5.173 0.000 -0.000) 5.173 3.618 ( 16.565 0.000 -0.000) 16.565 4.201 ( 17.836 0.000 -0.000) 17.836 5.254 ( -2.610 -0.000 0.000) 2.610 5.357 ( 2.164 0.000 -0.000) 2.164 5.640 ( -9.812 -0.000 0.000) 9.812 6.179 ( -0.767 -0.000 0.000) 0.767 6.369 ( -4.796 -0.000 0.000) 4.796 8.217 ( -1.302 -0.000 0.000) 1.302 8.280 ( -2.399 -0.000 0.000) 2.399 8.442 ( -7.646 -0.000 0.000) 7.646 11.693 ( 2.115 0.000 -0.000) 2.115 11.773 ( -5.785 -0.000 0.000) 5.785 13.112 ( 18.975 0.000 -0.000) 18.975 15.379 ( 33.831 0.000 -0.000) 33.831 17.195 ( -17.893 -0.000 0.000) 17.893 17.733 ( -28.622 -0.000 0.000) 28.622======================= Grid point 113 (63/344) =======================q-point: ( 0.47 0.47 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.534 ( -0.000 1.942 0.331) 1.970 2.785 ( -0.000 4.001 -0.231) 4.007 3.480 ( 0.000 -0.768 -3.167) 3.259 3.601 ( 0.000 1.187 -0.282) 1.220 5.221 ( -0.000 -2.907 0.618) 2.972 5.287 ( -0.000 2.262 2.433) 3.322 6.025 ( 0.000 -0.543 -0.269) 0.606 6.096 ( -0.000 4.123 2.377) 4.759 6.436 ( 0.000 -0.821 -2.415) 2.551 8.206 ( -0.000 1.855 2.369) 3.009 8.459 ( -0.000 1.006 0.336) 1.061 8.844 ( 0.000 -2.360 -1.348) 2.718 11.116 ( 0.000 -3.158 -0.133) 3.161 12.349 ( 0.000 -5.259 -1.265) 5.409 12.788 ( 0.000 -2.242 -0.359) 2.271 14.098 ( -0.000 0.298 0.134) 0.326 17.811 ( -0.000 0.370 0.682) 0.776 18.537 ( 0.000 0.306 -0.162) 0.347======================= Grid point 114 (64/344) =======================q-point: (-0.47 -0.53 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.666 ( 13.854 0.000 -0.000) 13.854 2.816 ( 1.530 0.000 -0.000) 1.530 3.467 ( -0.333 -0.000 0.000) 0.333 3.691 ( 9.721 0.000 -0.000) 9.721 5.230 ( 2.678 0.000 -0.000) 2.678 5.300 ( -0.449 -0.000 0.000) 0.449 5.955 ( -6.702 -0.000 0.000) 6.702 6.151 ( 2.323 0.000 -0.000) 2.323 6.428 ( -0.092 -0.000 0.000) 0.092 8.220 ( 0.099 0.000 -0.000) 0.099 8.435 ( -3.437 -0.000 0.000) 3.437 8.753 ( -8.310 -0.000 0.000) 8.310 11.249 ( 16.021 0.000 -0.000) 16.021 12.181 ( -14.153 -0.000 0.000) 14.153 12.785 ( 1.608 0.000 -0.000) 1.608 14.321 ( 23.890 0.000 -0.000) 23.890 17.729 ( -9.909 -0.000 0.000) 9.909 18.440 ( -11.560 -0.000 0.000) 11.560======================= Grid point 245 (65/344) =======================q-point: ( 0.07 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 344Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.261 ( -0.000 0.000 26.110) 26.110 0.261 ( -0.000 0.000 26.110) 26.110 0.473 ( -0.000 0.000 47.424) 47.424 3.003 ( 0.000 -0.000 -1.527) 1.527 3.003 ( 0.000 -0.000 -1.527) 1.527 5.168 ( 0.000 -0.000 -3.005) 3.005 6.291 ( -0.000 0.000 0.096) 0.096 6.291 ( -0.000 0.000 0.096) 0.096 7.969 ( 0.000 -0.000 -0.861) 0.861 7.969 ( 0.000 -0.000 -0.861) 0.861 8.923 ( 0.000 -0.000 -1.744) 1.744 10.918 ( -0.000 0.000 1.151) 1.151 12.487 ( -0.000 0.000 0.564) 0.564 12.487 ( -0.000 0.000 0.564) 0.564 14.044 ( 0.000 -0.000 -0.154) 0.154 14.044 ( 0.000 -0.000 -0.154) 0.154 14.889 ( 0.000 -0.000 -0.400) 0.400 18.747 ( -0.000 0.000 0.010) 0.010======================= Grid point 246 (66/344) =======================q-point: ( 0.13 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.602 ( 14.449 8.342 21.751) 27.413 0.625 ( 21.293 12.294 10.226) 26.629 1.179 ( 38.442 22.195 21.658) 49.391 3.033 ( 2.973 1.717 -1.660) 3.814 3.163 ( 14.260 8.233 -2.254) 16.619 5.142 ( -0.729 -0.421 -4.728) 4.803 6.284 ( -0.628 -0.363 0.086) 0.730 6.294 ( -0.453 -0.261 -3.935) 3.969 7.472 ( -35.880 -20.715 8.879) 42.371 7.993 ( 2.025 1.169 -0.505) 2.392 8.515 ( -16.923 -9.771 44.759) 48.839 8.992 ( 5.507 3.180 -1.345) 6.500 12.423 ( -5.490 -3.170 0.211) 6.343 13.995 ( -4.212 -2.432 -0.821) 4.933 14.050 ( 0.239 0.138 0.236) 0.363 14.575 ( -6.309 -3.642 -28.073) 29.003 16.288 ( 53.171 30.698 -56.530) 83.458 18.707 ( 2.221 1.282 -2.287) 3.436======================= Grid point 247 (67/344) =======================q-point: ( 0.20 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.074 ( 22.169 12.799 11.410) 28.026 1.138 ( 21.552 12.443 5.163) 25.416 2.099 ( 37.373 21.577 14.744) 45.604 3.119 ( 4.969 2.869 -1.764) 6.003 3.570 ( 21.590 12.465 -3.116) 25.124 5.108 ( -0.669 -0.386 -5.403) 5.458 6.260 ( -1.513 -0.873 -1.323) 2.191 6.265 ( -1.007 -0.581 -0.022) 1.163 6.788 ( -25.951 -14.983 -6.601) 30.684 8.052 ( 3.207 1.851 -0.004) 3.703 8.420 ( -6.244 -3.605 20.292) 21.535 9.104 ( 3.898 2.251 -2.190) 5.005 12.251 ( -9.672 -5.584 -0.159) 11.169 13.841 ( -9.373 -5.411 -2.308) 11.066 14.056 ( 0.193 0.112 0.559) 0.602 14.242 ( -14.718 -8.498 -17.844) 24.642 16.825 ( 15.086 8.710 -7.990) 19.164 18.797 ( 5.530 3.193 -4.971) 8.092======================= Grid point 248 (68/344) =======================q-point: ( 0.27 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.606 ( 18.825 10.868 3.514) 22.019 1.635 ( 24.827 14.334 6.308) 29.353 2.917 ( 31.511 18.193 10.889) 37.981 3.234 ( 5.678 3.278 -1.902) 6.827 4.055 ( 21.878 12.631 -4.014) 25.580 5.084 ( -0.028 -0.016 -3.794) 3.794 6.156 ( -13.097 -7.561 5.117) 15.965 6.240 ( -1.182 -0.683 -0.162) 1.375 6.352 ( -4.436 -2.561 -13.931) 14.843 8.131 ( 3.621 2.091 0.502) 4.211 8.321 ( -7.638 -4.410 13.256) 15.922 9.125 ( -1.304 -0.753 -4.176) 4.439 12.003 ( -12.059 -6.962 -0.446) 13.932 13.549 ( -15.502 -8.950 -6.152) 18.928 13.858 ( -14.732 -8.505 -9.080) 19.283 14.062 ( 0.154 0.089 0.725) 0.747 17.078 ( 9.551 5.514 2.051) 11.217 18.882 ( 2.781 1.605 -2.976) 4.378======================= Grid point 249 (69/344) =======================q-point: ( 0.33 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.996 ( 15.038 8.682 2.809) 17.590 2.204 ( 24.148 13.942 3.785) 28.140 3.351 ( 5.142 2.969 -1.981) 6.259 3.554 ( 22.272 12.859 6.248) 26.466 4.488 ( 17.536 10.124 -4.349) 20.710 5.085 ( 0.625 0.361 -0.439) 0.845 5.883 ( -8.242 -4.758 3.298) 10.072 6.211 ( -1.333 -0.769 -0.236) 1.557 6.357 ( 4.155 2.399 -6.564) 8.131 8.174 ( -8.541 -4.931 9.458) 13.665 8.213 ( 3.465 2.001 0.785) 4.078 9.015 ( -6.885 -3.975 -6.741) 10.423 11.724 ( -12.410 -7.165 -0.556) 14.340 13.136 ( -18.342 -10.590 -7.634) 22.514 13.534 ( -12.524 -7.231 -3.442) 14.865 14.068 ( 0.230 0.133 0.712) 0.760 17.283 ( 8.068 4.658 3.223) 9.858 18.895 ( -0.896 -0.517 -0.987) 1.429======================= Grid point 250 (70/344) =======================q-point: ( 0.40 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.294 ( 10.811 6.242 2.213) 12.678 2.729 ( 21.821 12.598 2.145) 25.288 3.446 ( 3.851 2.223 -1.780) 4.789 3.925 ( 9.661 5.578 -0.650) 11.175 4.803 ( 11.652 6.727 -1.970) 13.598 5.110 ( 1.804 1.042 2.829) 3.513 5.840 ( 1.639 0.946 7.275) 7.517 6.180 ( -1.386 -0.800 -0.275) 1.624 6.451 ( 5.439 3.140 -4.726) 7.860 8.027 ( -6.389 -3.689 7.990) 10.875 8.288 ( 2.934 1.694 0.790) 3.479 8.782 ( -11.242 -6.490 -8.898) 15.738 11.459 ( -10.821 -6.248 -0.481) 12.505 12.716 ( -16.556 -9.559 -5.926) 20.015 13.275 ( -9.783 -5.648 -1.612) 11.410 14.077 ( 0.374 0.216 0.568) 0.714 17.457 ( 6.593 3.806 2.436) 7.993 18.845 ( -3.129 -1.807 -0.031) 3.614======================= Grid point 251 (71/344) =======================q-point: ( 0.47 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.492 ( 6.367 3.676 1.313) 7.468 3.189 ( 18.784 10.845 0.542) 21.697 3.511 ( 2.400 1.386 -1.113) 2.986 3.985 ( -2.475 -1.429 -6.661) 7.248 4.998 ( 6.215 3.588 0.396) 7.188 5.202 ( 4.436 2.561 6.605) 8.359 5.923 ( 2.269 1.310 5.405) 6.007 6.150 ( -1.102 -0.636 -0.429) 1.343 6.553 ( 4.681 2.702 -3.742) 6.574 7.978 ( 0.111 0.064 9.369) 9.370 8.346 ( 2.016 1.164 0.707) 2.433 8.474 ( -13.105 -7.566 -9.146) 17.681 11.250 ( -7.461 -4.307 -0.329) 8.621 12.384 ( -11.282 -6.514 -3.547) 13.501 13.092 ( -6.125 -3.536 -1.029) 7.148 14.088 ( 0.378 0.218 0.364) 0.568 17.588 ( 4.442 2.565 1.558) 5.361 18.770 ( -3.271 -1.889 -0.014) 3.777======================= Grid point 252 (72/344) =======================q-point: ( 0.53 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.586 ( 1.815 1.048 0.119) 2.099 3.547 ( 1.069 0.617 -0.064) 1.236 3.559 ( 13.573 7.836 -2.558) 15.880 3.821 ( -8.338 -4.814 -7.799) 12.390 5.092 ( 2.040 1.178 0.717) 2.462 5.299 ( 1.252 0.723 7.705) 7.839 5.943 ( -1.062 -0.613 -1.095) 1.645 6.130 ( -0.452 -0.261 -0.758) 0.920 6.624 ( 2.399 1.385 -2.613) 3.808 8.093 ( 4.144 2.392 6.315) 7.923 8.178 ( -7.814 -4.511 -0.762) 9.055 8.379 ( 0.691 0.399 0.711) 1.069 11.134 ( -2.651 -1.531 -0.212) 3.069 12.209 ( -3.362 -1.941 -1.042) 4.020 12.997 ( -2.052 -1.185 -1.042) 2.589 14.094 ( 0.105 0.061 0.152) 0.194 17.661 ( 1.531 0.884 1.117) 2.091 18.712 ( -1.604 -0.926 -0.700) 1.980======================= Grid point 253 (73/344) =======================q-point: (-0.40 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.575 ( -2.645 -1.527 -0.929) 3.192 3.481 ( -13.543 -7.819 -10.121) 18.627 3.558 ( -0.304 -0.175 0.919) 0.983 3.870 ( 9.041 5.220 -2.799) 10.808 5.090 ( -2.249 -1.299 0.253) 2.610 5.294 ( -3.623 -2.092 6.572) 7.791 5.883 ( -3.010 -1.738 -6.094) 7.016 6.126 ( 0.391 0.226 -1.137) 1.223 6.641 ( -0.289 -0.167 -1.041) 1.093 7.936 ( -6.098 -3.520 -3.560) 7.890 8.380 ( -0.868 -0.501 0.769) 1.263 8.385 ( 11.550 6.669 13.796) 19.189 11.135 ( 2.780 1.605 -0.137) 3.213 12.234 ( 5.534 3.195 1.452) 6.553 12.994 ( 2.202 1.272 -1.362) 2.885 14.092 ( -0.310 -0.179 -0.049) 0.361 17.661 ( -1.843 -1.064 1.173) 2.430 18.700 ( 0.919 0.530 -1.868) 2.148======================= Grid point 254 (74/344) =======================q-point: (-0.33 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.464 ( -6.872 -3.967 -1.341) 8.047 3.098 ( -17.565 -10.141 -8.657) 22.053 3.537 ( -1.951 -1.127 1.388) 2.647 3.977 ( 0.746 0.431 -5.932) 5.994 5.011 ( -4.546 -2.625 0.435) 5.267 5.207 ( -5.271 -3.043 6.387) 8.823 5.776 ( -4.092 -2.363 -7.460) 8.831 6.140 ( 1.208 0.698 -1.362) 1.950 6.609 ( -2.398 -1.385 1.420) 3.112 7.865 ( 0.212 0.122 -1.194) 1.219 8.346 ( -2.342 -1.352 0.701) 2.793 8.691 ( 11.476 6.626 11.217) 17.362 11.254 ( 7.659 4.422 -0.024) 8.844 12.457 ( 13.300 7.679 3.709) 15.800 13.087 ( 6.577 3.797 -1.725) 7.787 14.081 ( -0.584 -0.337 -0.239) 0.715 17.588 ( -4.969 -2.869 1.620) 5.962 18.736 ( 2.903 1.676 -3.283) 4.692======================= Grid point 255 (75/344) =======================q-point: (-0.27 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.261 ( -10.952 -6.323 -0.942) 12.681 2.644 ( -20.718 -11.962 -6.516) 24.795 3.477 ( -3.767 -2.175 1.257) 4.527 3.831 ( -12.069 -6.968 -7.546) 15.848 4.875 ( -9.108 -5.259 1.565) 10.633 5.130 ( -3.075 -1.775 6.238) 7.178 5.704 ( 1.287 0.743 -5.264) 5.470 6.169 ( 1.700 0.982 -1.282) 2.345 6.556 ( -2.866 -1.655 5.069) 6.054 7.915 ( 4.240 2.448 -2.675) 5.579 8.283 ( -3.384 -1.954 0.340) 3.922 8.952 ( 8.784 5.071 7.329) 12.514 11.466 ( 11.064 6.388 0.208) 12.778 12.830 ( 18.109 10.455 5.325) 21.578 13.277 ( 10.908 6.298 -1.929) 12.743 14.067 ( -0.568 -0.328 -0.422) 0.780 17.456 ( -7.279 -4.202 2.500) 8.769 18.796 ( 3.309 1.910 -4.850) 6.174======================= Grid point 256 (76/344) =======================q-point: (-0.20 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.969 ( -15.041 -8.684 0.211) 17.369 2.131 ( -23.553 -13.598 -3.686) 27.445 3.379 ( -5.266 -3.040 0.706) 6.121 3.398 ( -24.007 -13.860 -7.191) 28.638 4.578 ( -17.764 -10.256 2.204) 20.630 5.113 ( -0.186 -0.107 3.942) 3.948 5.832 ( 10.364 5.983 -1.801) 12.102 6.204 ( 1.701 0.982 -0.909) 2.164 6.545 ( 0.457 0.264 10.948) 10.961 8.008 ( 4.882 2.818 -6.541) 8.634 8.202 ( -3.786 -2.186 -0.268) 4.380 9.121 ( 4.601 2.657 3.653) 6.448 11.735 ( 12.565 7.254 0.532) 14.518 13.263 ( 17.946 10.361 4.981) 21.313 13.566 ( 15.753 9.095 -1.170) 18.227 14.054 ( -0.362 -0.209 -0.592) 0.724 17.289 ( -8.397 -4.848 4.144) 10.544 18.837 ( 1.838 1.061 -6.699) 7.027======================= Grid point 257 (77/344) =======================q-point: (-0.13 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.576 ( -25.277 -14.594 0.165) 29.188 1.591 ( -19.075 -11.013 2.057) 22.121 2.733 ( -33.067 -19.091 -5.932) 38.640 3.254 ( -5.803 -3.351 -0.026) 6.701 4.126 ( -22.525 -13.005 2.048) 26.091 5.134 ( 0.900 0.519 1.731) 2.019 6.069 ( 9.521 5.497 -3.704) 11.601 6.237 ( 1.410 0.814 -0.456) 1.691 6.713 ( 11.159 6.443 20.549) 24.255 8.072 ( 3.065 1.769 -10.777) 11.343 8.116 ( -3.578 -2.066 -0.834) 4.215 9.177 ( -0.272 -0.157 0.959) 1.009 12.016 ( 12.005 6.931 0.812) 13.885 13.622 ( 13.022 7.518 1.771) 15.141 13.974 ( 20.007 11.551 0.453) 23.107 14.047 ( -0.150 -0.086 -0.704) 0.725 17.121 ( -7.937 -4.583 6.696) 11.351 18.823 ( -0.942 -0.544 -9.096) 9.161======================= Grid point 258 (78/344) =======================q-point: (-0.07 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.023 ( -24.552 -14.175 6.432) 29.071 1.134 ( -22.569 -13.030 4.849) 26.508 1.902 ( -39.386 -22.740 -3.411) 45.607 3.130 ( -4.947 -2.856 -0.725) 5.758 3.621 ( -22.236 -12.838 1.463) 25.717 5.157 ( 0.892 0.515 -0.514) 1.151 6.213 ( 5.367 3.099 -4.933) 7.921 6.264 ( 1.071 0.619 -0.134) 1.244 7.157 ( 19.844 11.457 27.927) 36.125 8.040 ( -2.835 -1.637 -1.102) 3.454 8.065 ( -0.231 -0.133 -13.434) 13.437 9.121 ( -4.517 -2.608 -0.597) 5.250 12.262 ( 9.397 5.426 0.920) 10.890 13.864 ( 8.416 4.859 0.179) 9.720 14.043 ( -0.006 -0.003 -0.686) 0.686 14.409 ( 18.151 10.479 -3.073) 21.183 16.984 ( -6.657 -3.843 6.060) 9.788 18.739 ( -3.155 -1.821 -11.640) 12.197======================= Grid point 261 (79/344) =======================q-point: ( 0.13 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.763 ( -0.000 21.088 20.121) 29.147 0.766 ( -0.000 23.622 16.200) 28.643 1.123 ( -0.000 35.417 22.911) 42.181 3.019 ( 0.000 3.197 -2.636) 4.144 3.183 ( -0.000 18.342 -1.591) 18.410 5.128 ( 0.000 -0.571 -5.360) 5.390 6.249 ( 0.000 -4.168 -2.857) 5.053 6.284 ( -0.000 -0.792 0.084) 0.796 7.871 ( 0.000 -7.320 -5.451) 9.127 7.973 ( 0.000 1.640 -1.651) 2.327 8.411 ( -0.000 -56.282 62.172) 83.863 8.980 ( 0.000 5.975 -2.331) 6.414 12.439 ( -0.000 -5.738 1.174) 5.857 13.993 ( 0.000 -4.535 -1.821) 4.887 14.037 ( 0.000 -0.236 -0.509) 0.561 14.490 ( 0.000 -1.142 -32.100) 32.121 16.178 ( 0.000 81.184 -51.739) 96.270 18.611 ( 0.000 -8.107 -1.641) 8.271======================= Grid point 262 (80/344) =======================q-point: ( 0.20 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.007 ( 6.050 19.548 17.580) 26.978 1.151 ( 7.935 25.803 9.502) 28.619 1.818 ( 27.663 29.786 14.434) 43.137 3.101 ( 4.482 5.918 -3.136) 8.059 3.445 ( 8.877 21.277 -0.966) 23.074 5.100 ( -0.693 0.210 -6.052) 6.096 6.197 ( 0.538 -5.412 -1.678) 5.691 6.279 ( 0.344 -0.957 -1.768) 2.040 7.237 ( -39.169 -11.410 3.972) 40.990 8.010 ( 2.518 0.663 -0.416) 2.637 8.392 ( 8.585 -17.845 22.511) 29.982 9.067 ( 3.409 5.068 -2.576) 6.629 12.329 ( -5.491 -7.082 0.731) 8.991 13.883 ( -5.227 -8.436 -2.673) 10.277 14.035 ( 0.410 -1.208 -1.311) 1.829 14.283 ( -7.144 -8.987 -20.056) 23.109 16.764 ( 9.349 32.570 -13.444) 36.455 18.626 ( 9.678 -4.170 -8.173) 13.336======================= Grid point 263 (81/344) =======================q-point: ( 0.27 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.449 ( 17.026 19.781 9.753) 27.862 1.567 ( 10.095 22.476 6.337) 25.441 2.590 ( 29.390 19.311 9.208) 36.352 3.246 ( 4.478 11.008 -2.390) 12.122 3.854 ( 16.092 18.332 -1.291) 24.427 5.077 ( -0.432 1.247 -5.150) 5.316 6.148 ( -0.158 -6.738 0.804) 6.788 6.263 ( 0.824 -1.545 -4.766) 5.078 6.586 ( -28.354 -4.647 0.491) 28.737 8.069 ( 4.028 -0.489 0.709) 4.119 8.382 ( -0.430 -9.385 12.024) 15.259 9.128 ( 0.192 1.857 -3.773) 4.210 12.134 ( -9.839 -6.550 0.232) 11.822 13.633 ( -10.719 -12.646 -5.885) 17.591 13.902 ( -7.915 -12.969 -9.828) 18.095 14.111 ( -1.989 2.698 -2.053) 3.931 17.072 ( 3.749 15.901 3.011) 16.612 18.736 ( 9.991 -4.385 -7.933) 13.490======================= Grid point 264 (82/344) =======================q-point: ( 0.33 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.941 ( 9.936 19.917 4.357) 22.681 1.993 ( 20.157 17.478 5.109) 27.164 3.148 ( 18.639 3.974 1.730) 19.136 3.494 ( 9.680 19.532 0.452) 21.804 4.289 ( 16.872 13.684 -1.283) 21.761 5.081 ( 0.443 2.095 -2.205) 3.074 5.997 ( -9.114 -6.726 1.340) 11.406 6.247 ( -0.882 -2.978 -4.137) 5.173 6.296 ( -3.408 2.337 1.690) 4.465 8.123 ( 3.135 -3.932 2.887) 5.798 8.302 ( -3.752 -3.417 6.027) 7.879 9.071 ( -5.276 -1.612 -6.001) 8.151 11.887 ( -12.572 -4.875 -0.093) 13.484 13.253 ( -15.028 -14.877 -8.002) 22.610 13.603 ( -8.653 -12.853 -4.879) 16.244 14.135 ( -1.394 6.834 0.037) 6.975 17.261 ( 3.136 9.404 5.578) 11.374 18.796 ( 6.355 -7.577 -4.594) 10.904======================= Grid point 265 (83/344) =======================q-point: ( 0.40 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.263 ( 6.909 15.534 3.544) 17.367 2.517 ( 20.351 16.204 1.601) 26.063 3.366 ( 7.784 1.512 -1.598) 8.089 3.855 ( 9.776 14.335 -2.462) 17.525 4.657 ( 13.585 9.090 0.671) 16.360 5.110 ( 0.818 2.028 1.300) 2.544 5.871 ( -2.232 0.267 5.627) 6.059 6.183 ( -1.832 -2.986 0.871) 3.610 6.352 ( 5.695 0.275 -2.368) 6.174 8.074 ( -2.860 -7.366 5.264) 9.495 8.289 ( 0.723 2.484 1.928) 3.227 8.885 ( -10.232 -4.358 -8.094) 13.755 11.635 ( -13.025 -1.915 -0.250) 13.167 12.822 ( -15.243 -15.473 -6.569) 22.692 13.342 ( -7.614 -10.013 -2.533) 12.832 14.185 ( -3.252 11.272 0.281) 11.735 17.403 ( 4.102 4.099 4.425) 7.295 18.776 ( 3.388 -10.610 -2.110) 11.336======================= Grid point 266 (84/344) =======================q-point: ( 0.47 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.495 ( 3.471 12.279 2.414) 12.987 2.981 ( 18.062 12.119 -1.117) 21.779 3.481 ( 4.492 3.254 -1.349) 5.708 4.022 ( -0.623 7.657 -8.100) 11.163 4.916 ( 8.472 4.792 2.412) 10.027 5.178 ( 3.663 2.428 6.292) 7.675 5.920 ( 1.936 2.036 5.965) 6.593 6.131 ( -0.399 -4.269 0.638) 4.335 6.450 ( 6.733 -0.750 -2.265) 7.143 7.993 ( -0.976 -3.642 5.806) 6.923 8.344 ( 1.507 2.523 2.118) 3.622 8.608 ( -13.175 -5.465 -8.611) 16.661 11.428 ( -11.861 3.225 -0.243) 12.294 12.425 ( -11.185 -15.733 -4.257) 19.768 13.143 ( -5.835 -6.188 -1.693) 8.672 14.241 ( -6.027 15.726 0.336) 16.845 17.508 ( 5.235 -1.192 2.856) 6.082 18.705 ( 2.426 -12.155 -1.009) 12.436======================= Grid point 267 (85/344) =======================q-point: ( 0.53 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.629 ( -0.604 9.233 0.918) 9.298 3.314 ( 12.908 1.425 -3.484) 13.445 3.607 ( 4.686 10.221 -0.836) 11.275 3.954 ( -10.074 5.025 -10.033) 15.080 5.058 ( 4.199 1.698 2.112) 4.997 5.293 ( 3.539 0.520 9.736) 10.373 5.951 ( -0.912 -0.698 0.150) 1.159 6.095 ( 0.963 -4.400 -0.153) 4.507 6.535 ( 5.842 -2.500 -1.917) 6.637 8.036 ( 5.160 0.004 6.773) 8.515 8.310 ( -12.422 -4.019 -3.928) 13.634 8.398 ( 0.636 2.692 1.625) 3.209 11.305 ( -10.421 10.058 -0.182) 14.484 12.142 ( -2.468 -15.357 -1.838) 15.662 13.018 ( -3.261 -2.690 -1.558) 4.505 14.284 ( -9.003 18.759 0.331) 20.811 17.574 ( 5.617 -5.645 1.825) 8.170 18.630 ( 3.377 -12.067 -0.995) 12.570======================= Grid point 268 (86/344) =======================q-point: (-0.40 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.660 ( -4.713 6.188 -0.529) 7.796 3.404 ( 3.420 -6.663 -4.733) 8.860 3.755 ( -12.207 3.006 -7.197) 14.486 3.827 ( 4.301 15.256 -3.466) 16.225 5.104 ( -0.060 -0.706 1.420) 1.587 5.335 ( -1.061 -2.947 8.929) 9.463 5.893 ( -2.663 -2.092 -5.299) 6.289 6.073 ( 2.051 -4.745 -1.105) 5.286 6.579 ( 3.903 -4.401 -1.124) 5.989 8.025 ( -7.785 -2.129 -2.348) 8.405 8.255 ( 7.267 0.784 6.543) 9.810 8.453 ( 1.153 5.128 6.213) 8.138 11.267 ( -8.307 14.494 -0.186) 16.707 12.059 ( 8.759 -11.583 0.619) 14.535 12.972 ( 0.120 -0.132 -1.878) 1.886 14.300 ( -11.286 19.374 0.299) 22.424 17.597 ( 4.436 -8.138 1.539) 9.396 18.588 ( 5.580 -10.874 -1.755) 12.348======================= Grid point 269 (87/344) =======================q-point: (-0.33 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.591 ( -8.510 3.419 -1.281) 9.260 3.251 ( -11.843 -5.937 -8.655) 15.824 3.596 ( -6.379 1.171 -0.902) 6.548 3.992 ( 0.871 10.155 -6.053) 11.854 5.059 ( -3.539 -2.209 1.088) 4.311 5.275 ( -4.139 -4.140 6.904) 9.052 5.795 ( -3.739 -2.701 -6.762) 8.185 6.069 ( 3.646 -4.932 -1.439) 6.300 6.575 ( 1.904 -5.897 0.347) 6.207 7.911 ( -4.387 1.633 0.656) 4.727 8.336 ( 1.633 -2.445 0.732) 3.030 8.636 ( 8.361 7.932 10.788) 15.786 11.307 ( -3.142 13.942 -0.089) 14.292 12.213 ( 17.349 -3.828 2.719) 17.973 13.008 ( 4.383 1.376 -2.415) 5.190 14.283 ( -12.091 17.460 0.257) 21.240 17.574 ( 1.502 -8.110 1.919) 8.469 18.597 ( 7.942 -9.278 -3.004) 12.577======================= Grid point 270 (88/344) =======================q-point: (-0.27 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.436 ( -12.171 1.334 -1.043) 12.288 2.888 ( -20.890 -4.749 -7.629) 22.741 3.511 ( -3.786 -3.196 0.352) 4.967 3.980 ( -9.008 4.894 -7.200) 12.527 4.959 ( -6.041 -3.448 0.921) 7.017 5.190 ( -3.882 -3.308 7.364) 8.958 5.696 ( -1.916 -0.760 -5.563) 5.933 6.091 ( 4.879 -4.340 -1.796) 6.773 6.538 ( 0.803 -6.917 2.728) 7.479 7.907 ( -0.126 3.864 0.764) 3.941 8.310 ( -1.639 -2.217 0.129) 2.760 8.888 ( 8.730 6.320 7.616) 13.197 11.435 ( 3.468 11.882 0.148) 12.378 12.557 ( 21.909 2.797 4.152) 22.473 13.130 ( 9.432 1.887 -3.050) 10.091 14.239 ( -11.126 13.754 0.212) 17.692 17.505 ( -2.473 -6.098 2.848) 7.170 18.648 ( 9.067 -7.628 -4.501) 12.676======================= Grid point 271 (89/344) =======================q-point: (-0.20 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.204 ( -16.104 0.160 0.104) 16.105 2.426 ( -25.314 -5.940 -4.787) 26.439 3.379 ( -6.437 -8.468 -0.789) 10.666 3.744 ( -19.848 3.169 -5.330) 20.794 4.753 ( -13.192 -7.966 0.622) 15.423 5.139 ( -1.831 -1.837 6.478) 6.978 5.742 ( 6.525 5.816 -2.200) 9.014 6.136 ( 5.437 -2.917 -1.979) 6.480 6.503 ( 2.322 -7.491 6.244) 10.024 7.960 ( 1.762 3.240 -1.682) 4.054 8.252 ( -3.060 -0.883 -0.330) 3.202 9.082 ( 5.832 4.072 3.815) 8.071 11.646 ( 8.437 10.062 0.383) 13.137 12.996 ( 22.786 5.406 4.650) 23.875 13.342 ( 15.227 1.793 -3.734) 15.780 14.183 ( -8.742 9.502 0.149) 12.912 17.396 ( -6.293 -3.445 4.343) 8.386 18.710 ( 7.912 -5.865 -6.155) 11.614======================= Grid point 272 (90/344) =======================q-point: (-0.13 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.896 ( -25.221 -2.081 1.130) 25.332 1.906 ( -23.144 -5.681 -0.368) 23.834 3.041 ( -22.353 -13.381 -2.807) 26.203 3.447 ( -16.419 5.238 -1.649) 17.313 4.377 ( -20.275 -10.696 0.983) 22.944 5.132 ( 0.149 -0.613 2.831) 2.901 5.955 ( 9.210 6.653 -1.192) 11.424 6.207 ( 4.718 1.400 -2.347) 5.452 6.555 ( 11.156 -7.688 12.020) 18.113 7.998 ( 1.336 0.356 -3.671) 3.923 8.199 ( -3.508 2.179 -1.263) 4.318 9.181 ( 1.606 1.657 0.878) 2.469 11.899 ( 10.738 7.696 0.571) 13.224 13.405 ( 18.421 3.302 2.439) 18.873 13.663 ( 21.910 2.311 -3.387) 22.290 14.138 ( -5.382 6.136 0.020) 8.162 17.261 ( -8.689 -1.734 6.197) 10.812 18.747 ( 4.313 -3.503 -7.918) 9.673======================= Grid point 273 (91/344) =======================q-point: (-0.07 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.352 ( -28.600 -7.585 3.873) 29.842 1.529 ( -24.602 -0.774 3.762) 24.900 2.409 ( -37.371 -8.471 0.002) 38.319 3.263 ( -10.609 2.854 -1.308) 11.064 3.906 ( -23.758 -8.951 0.716) 25.399 5.141 ( 0.846 -0.275 -0.539) 1.040 6.112 ( 6.111 1.521 -1.796) 6.548 6.278 ( 1.137 3.694 -2.828) 4.789 6.841 ( 24.548 -7.706 13.407) 29.012 7.996 ( 0.076 -0.029 -1.723) 1.725 8.170 ( -3.609 5.182 -1.212) 6.431 9.175 ( -2.974 -0.138 -0.855) 3.098 12.141 ( 10.682 3.943 0.624) 11.404 13.698 ( 14.194 0.875 -0.266) 14.224 13.998 ( 10.650 -0.193 -2.553) 10.954 14.180 ( 9.850 5.069 -2.960) 11.466 17.112 ( -9.331 -2.719 5.797) 11.317 18.734 ( -0.565 0.711 -9.107) 9.152======================= Grid point 277 (92/344) =======================q-point: ( 0.20 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.274 ( -0.000 19.283 17.252) 25.874 1.302 ( -0.000 21.848 10.930) 24.429 1.970 ( -0.000 39.167 8.690) 40.119 3.091 ( 0.000 6.121 -3.070) 6.848 3.625 ( -0.000 26.238 -0.596) 26.244 5.095 ( 0.000 1.528 -5.571) 5.777 6.132 ( 0.000 -5.464 -2.315) 5.934 6.260 ( 0.000 -1.626 -0.203) 1.639 7.538 ( 0.000 -23.252 0.642) 23.261 8.013 ( 0.000 3.631 -1.483) 3.922 8.101 ( -0.000 -13.419 22.730) 26.396 9.082 ( 0.000 5.570 -3.071) 6.360 12.283 ( -0.000 -11.018 1.078) 11.071 13.830 ( 0.000 -10.051 -5.042) 11.245 14.032 ( 0.000 0.072 -0.367) 0.374 14.168 ( 0.000 -13.071 -16.894) 21.360 17.006 ( 0.000 31.970 -3.745) 32.188 18.458 ( 0.000 -2.515 -12.227) 12.483======================= Grid point 278 (93/344) =======================q-point: ( 0.27 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.507 ( 4.756 21.293 10.996) 24.432 1.661 ( 8.901 20.039 9.359) 23.841 2.474 ( 13.548 30.067 4.758) 33.320 3.216 ( 7.509 8.232 -3.348) 11.635 3.911 ( 4.125 25.230 0.473) 25.569 5.095 ( -0.870 3.578 -4.262) 5.632 6.082 ( 0.988 -5.556 -0.705) 5.687 6.231 ( -1.064 -2.791 -1.713) 3.443 7.020 ( -27.679 -13.648 3.514) 31.060 8.012 ( 1.466 -0.703 1.497) 2.210 8.234 ( 9.649 -8.219 8.870) 15.470 9.129 ( 0.860 2.909 -3.554) 4.673 12.155 ( -2.364 -11.308 0.743) 11.576 13.642 ( -6.842 -12.418 -7.049) 15.834 13.866 ( -8.191 -14.361 -8.834) 18.745 14.106 ( 3.646 -0.008 -2.255) 4.287 17.257 ( -1.273 19.383 7.910) 20.974 18.485 ( 8.858 -2.043 -14.010) 16.701======================= Grid point 279 (94/344) =======================q-point: ( 0.33 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.905 ( 13.782 20.446 5.610) 25.288 2.028 ( 8.350 20.121 7.151) 22.928 2.942 ( 14.080 13.873 0.303) 19.769 3.476 ( 12.019 13.699 -3.611) 18.578 4.243 ( 8.150 20.503 2.151) 22.168 5.111 ( -1.055 5.257 -1.996) 5.721 6.036 ( -1.716 -5.055 0.722) 5.387 6.163 ( -0.009 -5.550 -2.622) 6.138 6.548 ( -19.081 -2.763 5.581) 20.072 8.047 ( 3.030 -2.379 2.102) 4.389 8.279 ( 2.268 -5.350 3.177) 6.622 9.112 ( -3.002 -0.683 -5.249) 6.085 11.990 ( -6.041 -8.734 0.587) 10.636 13.327 ( -12.603 -12.884 -9.016) 20.152 13.556 ( -6.242 -17.515 -4.414) 19.111 14.188 ( 3.053 5.858 -0.595) 6.632 17.401 ( -2.970 12.321 9.837) 16.044 18.555 ( 8.510 -7.394 -9.909) 15.009======================= Grid point 280 (95/344) =======================q-point: ( 0.40 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.315 ( 10.277 14.220 5.536) 18.398 2.417 ( 12.500 23.602 1.469) 26.748 3.217 ( 10.460 3.515 -2.218) 11.255 3.814 ( 11.832 14.542 -5.939) 19.666 4.577 ( 9.529 14.527 4.492) 17.945 5.142 ( -1.066 4.882 0.124) 4.999 5.942 ( -3.956 -0.933 3.209) 5.179 6.136 ( 3.220 -7.731 1.931) 8.594 6.353 ( -6.616 1.335 3.894) 7.792 8.052 ( -0.213 -4.145 2.569) 4.881 8.277 ( 1.961 -1.295 0.273) 2.366 8.975 ( -7.994 -3.760 -7.503) 11.590 11.793 ( -8.926 -5.636 0.543) 10.570 12.930 ( -16.081 -12.326 -8.147) 21.838 13.312 ( -3.480 -13.828 -1.904) 14.386 14.316 ( 2.218 11.754 -0.182) 11.963 17.467 ( -3.305 6.455 7.562) 10.478 18.549 ( 6.198 -13.953 -5.424) 16.202======================= Grid point 281 (96/344) =======================q-point: ( 0.47 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.588 ( 4.540 13.712 5.332) 15.397 2.844 ( 13.044 17.998 -3.602) 22.518 3.391 ( 8.956 2.283 -2.158) 9.491 4.065 ( 4.956 11.986 -9.108) 15.849 4.853 ( 7.346 8.478 6.166) 12.801 5.176 ( 0.795 2.971 3.056) 4.335 5.942 ( 0.320 2.044 5.654) 6.021 6.098 ( -0.105 -7.198 4.587) 8.536 6.340 ( 2.701 -1.107 1.268) 3.183 7.998 ( -1.918 -2.257 1.686) 3.408 8.324 ( 3.438 0.236 0.818) 3.542 8.737 ( -11.427 -5.305 -8.472) 15.182 11.612 ( -7.671 -1.737 0.609) 7.889 12.513 ( -16.858 -11.369 -5.856) 21.160 13.152 ( -3.256 -6.821 -1.222) 7.657 14.482 ( -0.365 18.634 0.125) 18.638 17.470 ( -1.850 -0.848 4.823) 5.235 18.471 ( 5.587 -18.751 -2.681) 19.749======================= Grid point 282 (97/344) =======================q-point: ( 0.53 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.765 ( -0.645 12.611 3.348) 13.064 3.136 ( 9.660 5.489 -5.923) 12.591 3.587 ( 8.863 9.555 -2.062) 13.195 4.144 ( -5.187 11.733 -10.262) 16.428 5.016 ( 3.813 2.895 4.884) 6.839 5.259 ( 4.157 0.318 8.041) 9.058 5.957 ( -0.880 -2.786 1.874) 3.471 6.051 ( -0.735 -3.318 3.282) 4.724 6.394 ( 5.754 -4.488 1.115) 7.382 7.996 ( 1.901 1.358 2.741) 3.602 8.386 ( 2.805 -0.135 -0.054) 2.809 8.463 ( -11.496 -3.935 -4.754) 13.048 11.532 ( -3.571 5.030 0.834) 6.225 12.122 ( -14.274 -11.123 -3.564) 18.444 13.054 ( -3.879 -0.587 -1.237) 4.113 14.648 ( -5.799 25.163 0.441) 25.826 17.432 ( 1.768 -8.639 2.806) 9.253 18.373 ( 6.903 -20.887 -1.589) 22.056======================= Grid point 283 (98/344) =======================q-point: ( 0.60 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.827 ( -5.396 9.513 0.459) 10.947 3.262 ( 6.366 -1.885 -4.407) 7.969 3.814 ( 4.344 11.637 -5.318) 13.512 4.081 ( -11.366 14.240 -7.967) 19.886 5.088 ( 1.835 -0.609 3.407) 3.917 5.329 ( 1.721 -3.732 9.701) 10.536 5.893 ( -1.910 -4.096 -2.453) 5.143 6.004 ( -1.113 -4.257 -0.618) 4.443 6.441 ( 5.562 -6.663 1.347) 8.783 8.078 ( 1.546 1.549 2.573) 3.378 8.246 ( -5.037 -0.429 -3.469) 6.131 8.465 ( 3.313 1.231 5.380) 6.437 11.589 ( -4.489 16.797 0.321) 17.389 11.829 ( -2.533 -14.680 -0.626) 14.910 13.000 ( -3.473 3.063 -1.700) 4.933 14.757 ( -12.840 28.233 0.695) 31.023 17.395 ( 6.161 -13.507 1.841) 14.959 18.300 ( 9.337 -20.734 -1.688) 22.802======================= Grid point 284 (99/344) =======================q-point: (-0.33 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.779 ( -8.478 5.472 -1.339) 10.179 3.293 ( -0.035 -0.795 -3.610) 3.697 3.780 ( -12.630 4.063 -6.898) 14.954 4.116 ( -2.347 17.194 -5.681) 18.259 5.085 ( -1.367 -2.591 2.558) 3.889 5.307 ( -1.935 -5.354 7.853) 9.700 5.803 ( -3.074 -2.802 -6.837) 8.003 5.952 ( 1.921 -6.773 0.348) 7.049 6.457 ( 4.134 -7.862 1.681) 9.040 8.023 ( -5.854 1.954 0.780) 6.221 8.277 ( 3.392 0.084 -0.070) 3.394 8.596 ( 7.467 3.706 7.427) 11.164 11.553 ( -9.570 6.967 -1.071) 11.885 11.913 ( 15.252 2.505 2.830) 15.713 12.986 ( -1.249 3.810 -2.394) 4.669 14.759 ( -18.078 25.319 0.790) 31.121 17.396 ( 8.050 -12.491 1.899) 14.981 18.280 ( 12.095 -18.953 -2.513) 22.623======================= Grid point 285 (100/344) =======================q-point: (-0.27 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.650 ( -10.822 2.538 -1.376) 11.201 3.183 ( -14.796 4.066 -4.870) 16.099 3.570 ( -8.973 -2.881 -2.769) 9.823 4.174 ( -6.783 12.637 -6.760) 15.855 5.019 ( -4.034 -3.394 2.423) 5.802 5.237 ( -3.103 -4.156 6.614) 8.405 5.704 ( -2.521 -1.511 -6.317) 6.968 5.943 ( 4.594 -6.816 0.217) 8.223 6.440 ( 2.582 -8.308 2.464) 9.043 7.984 ( -3.121 4.254 1.821) 5.581 8.296 ( 0.494 -1.819 -0.582) 1.973 8.811 ( 9.698 4.251 5.673) 12.013 11.516 ( -0.539 4.174 -0.014) 4.208 12.275 ( 18.267 10.273 3.122) 21.188 13.018 ( 3.013 1.791 -3.160) 4.719 14.656 ( -18.982 17.832 0.713) 26.054 17.425 ( 5.394 -7.221 2.712) 9.413 18.324 ( 14.230 -15.526 -3.610) 21.368======================= Grid point 286 (101/344) =======================q-point: (-0.20 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.460 ( -13.414 0.856 -0.321) 13.445 2.847 ( -26.873 4.153 -3.846) 27.463 3.409 ( -5.489 -6.152 -1.252) 8.339 4.074 ( -14.794 8.355 -5.546) 17.873 4.878 ( -9.195 -5.597 0.977) 10.809 5.176 ( -2.596 -3.161 6.925) 8.043 5.703 ( 3.631 4.937 -2.926) 6.791 5.971 ( 6.589 -6.423 -0.964) 9.252 6.406 ( 1.780 -8.015 3.651) 8.985 7.994 ( -1.354 3.720 0.876) 4.055 8.273 ( -0.871 -1.248 -0.672) 1.663 9.012 ( 8.132 2.773 2.355) 8.909 11.611 ( 6.130 4.694 0.427) 7.733 12.719 ( 20.231 11.489 3.207) 23.486 13.105 ( 9.313 -2.287 -4.143) 10.446 14.493 ( -16.052 9.823 0.499) 18.826 17.436 ( -0.076 -2.597 3.772) 4.580 18.428 ( 14.189 -9.968 -4.435) 17.898======================= Grid point 287 (102/344) =======================q-point: (-0.13 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.211 ( -17.065 -0.298 0.830) 17.088 2.378 ( -30.506 1.611 -0.697) 30.557 3.219 ( -11.214 -4.918 -1.039) 12.289 3.822 ( -20.539 5.580 -2.772) 21.463 4.604 ( -16.227 -6.273 0.076) 17.398 5.138 ( -1.110 -1.941 3.952) 4.541 5.884 ( 7.817 7.946 0.450) 11.156 6.050 ( 10.921 -3.520 -2.204) 11.684 6.379 ( 2.813 -8.019 5.204) 9.965 8.002 ( -0.852 1.489 -0.271) 1.737 8.249 ( -1.262 0.761 -0.579) 1.584 9.143 ( 4.879 0.736 -0.433) 4.953 11.791 ( 9.569 3.695 0.424) 10.267 13.157 ( 16.754 7.667 2.878) 18.649 13.284 ( 20.083 -3.978 -5.620) 21.231 14.328 ( -11.224 3.842 0.128) 11.864 17.387 ( -5.307 -1.457 4.490) 7.103 18.565 ( 10.919 -2.809 -4.545) 12.156======================= Grid point 288 (103/344) =======================q-point: (-0.07 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.834 ( -29.558 0.729 1.615) 29.611 1.924 ( -22.854 -0.990 2.899) 23.058 2.912 ( -23.874 2.055 1.571) 24.014 3.519 ( -17.852 1.415 -0.930) 17.932 4.240 ( -21.563 -1.551 -0.733) 21.631 5.124 ( 0.194 -1.144 0.160) 1.171 6.026 ( 5.767 0.560 0.233) 5.798 6.259 ( 7.003 6.653 -6.661) 11.733 6.414 ( 13.869 -12.314 7.535) 20.019 8.009 ( 0.148 1.962 1.263) 2.338 8.240 ( -1.127 1.563 0.846) 2.104 9.187 ( 1.039 -0.800 -2.026) 2.413 11.982 ( 10.574 -0.375 0.249) 10.583 13.431 ( 16.312 -1.970 -1.991) 16.550 13.660 ( 23.098 1.542 -4.068) 23.504 14.201 ( -5.725 -0.221 -0.544) 5.756 17.258 ( -9.009 -3.135 3.974) 10.334 18.697 ( 5.445 4.180 -3.891) 7.890======================= Grid point 293 (104/344) =======================q-point: ( 0.27 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.733 ( -0.000 18.231 11.085) 21.336 1.744 ( -0.000 17.612 6.939) 18.930 2.704 ( -0.000 32.410 0.779) 32.420 3.208 ( 0.000 7.731 -2.806) 8.224 4.129 ( -0.000 24.676 0.181) 24.677 5.144 ( 0.000 7.033 -2.136) 7.350 6.011 ( 0.000 -6.663 0.233) 6.668 6.216 ( 0.000 -2.599 -0.751) 2.706 7.090 ( 0.000 -21.435 -0.613) 21.444 8.036 ( -0.000 -5.683 11.083) 12.455 8.096 ( -0.000 5.540 -0.331) 5.550 9.134 ( 0.000 1.809 -3.437) 3.884 12.037 ( 0.000 -14.573 0.377) 14.578 13.551 ( 0.000 -13.092 -9.364) 16.097 13.787 ( 0.000 -18.178 -6.714) 19.379 14.036 ( -0.000 0.513 0.111) 0.525 17.470 ( -0.000 12.727 14.703) 19.446 18.371 ( 0.000 4.315 -18.065) 18.573======================= Grid point 294 (105/344) =======================q-point: ( 0.33 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.954 ( 5.786 19.051 5.175) 20.571 2.051 ( 10.408 14.531 7.830) 19.514 2.990 ( 1.314 21.409 -2.675) 21.616 3.375 ( 10.729 10.389 -3.377) 15.311 4.377 ( 2.559 21.441 1.536) 21.647 5.210 ( -1.950 10.056 0.143) 10.244 5.961 ( 2.124 -7.892 1.989) 8.412 6.154 ( -3.480 -3.791 -0.974) 5.238 6.781 ( -12.500 -11.755 1.277) 17.207 8.009 ( -0.074 -1.414 4.530) 4.746 8.201 ( 3.653 0.938 1.536) 4.072 9.123 ( -1.186 -0.904 -4.329) 4.579 11.913 ( 1.549 -13.634 0.247) 13.724 13.334 ( -6.570 -13.029 -10.980) 18.261 13.487 ( -8.538 -19.619 -1.985) 21.488 14.133 ( 7.869 2.619 -0.162) 8.295 17.597 ( -2.192 7.483 14.911) 16.827 18.385 ( 2.320 2.090 -14.842) 15.167======================= Grid point 295 (106/344) =======================q-point: ( 0.40 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.282 ( 10.010 15.391 3.411) 18.674 2.432 ( 14.463 17.048 5.173) 22.947 3.149 ( 2.208 9.457 -4.393) 10.659 3.691 ( 14.355 11.088 -5.883) 19.069 4.635 ( 4.651 17.175 3.921) 18.220 5.262 ( -4.271 10.223 1.360) 11.163 5.939 ( 3.334 -8.191 3.103) 9.372 6.050 ( -3.013 -4.049 2.627) 5.690 6.530 ( -10.244 -2.396 3.611) 11.123 8.024 ( 1.146 -0.917 2.168) 2.618 8.236 ( 0.776 0.062 -0.500) 0.925 9.027 ( -5.450 -3.992 -6.587) 9.436 11.808 ( -1.319 -10.051 0.605) 10.155 13.009 ( -11.029 -14.518 -11.060) 21.325 13.209 ( -3.053 -15.035 1.009) 15.375 14.325 ( 8.591 8.467 -0.219) 12.064 17.641 ( -4.820 4.420 11.426) 13.165 18.347 ( 0.198 -6.633 -9.393) 11.501======================= Grid point 296 (107/344) =======================q-point: ( 0.47 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.586 ( 9.686 10.534 4.341) 14.953 2.867 ( 11.748 21.780 -0.131) 24.746 3.246 ( 6.129 1.637 -4.633) 7.856 3.996 ( 12.246 9.679 -7.711) 17.410 4.877 ( 4.826 11.969 6.008) 14.236 5.265 ( -5.546 6.961 1.553) 9.035 5.930 ( 3.506 -8.483 4.030) 10.025 6.027 ( 1.087 -1.424 7.830) 8.033 6.394 ( -6.650 0.221 3.313) 7.433 8.024 ( -1.373 0.623 0.175) 1.518 8.259 ( 2.795 -0.316 -0.767) 2.916 8.827 ( -9.156 -5.992 -8.353) 13.766 11.671 ( -4.816 -6.963 1.199) 8.550 12.642 ( -12.689 -13.094 -8.556) 20.141 13.103 ( 1.644 -6.181 0.988) 6.472 14.582 ( 8.184 15.671 -0.081) 17.679 17.589 ( -8.103 0.495 7.666) 11.165 18.210 ( 0.361 -16.511 -5.318) 17.350======================= Grid point 297 (108/344) =======================q-point: ( 0.53 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.837 ( 7.218 8.434 4.960) 12.159 3.114 ( -0.788 10.861 -6.712) 12.792 3.465 ( 15.840 9.115 -2.506) 18.446 4.226 ( 6.017 10.904 -8.514) 15.085 5.043 ( 1.158 6.260 6.655) 9.209 5.248 ( -1.536 1.835 3.539) 4.272 5.904 ( 2.086 -9.783 4.452) 10.949 6.074 ( 0.047 1.240 6.639) 6.754 6.323 ( -2.030 -2.135 2.757) 4.035 8.018 ( -0.866 3.619 -0.244) 3.729 8.310 ( 4.128 -1.720 -0.799) 4.543 8.577 ( -9.803 -5.460 -6.964) 13.206 11.560 ( -1.776 -3.720 2.126) 4.638 12.280 ( -13.897 -9.895 -6.456) 18.241 13.116 ( -0.120 3.761 0.495) 3.795 14.894 ( 5.709 23.484 0.295) 24.169 17.432 ( -9.354 -5.894 4.396) 11.898 18.033 ( 4.380 -24.116 -2.784) 24.668======================= Grid point 298 (109/344) =======================q-point: ( 0.60 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.994 ( -1.836 8.124 3.164) 8.910 3.143 ( 3.916 0.740 -5.788) 7.027 3.811 ( 10.365 14.947 -4.932) 18.846 4.338 ( -3.874 14.153 -8.423) 16.920 5.084 ( -1.208 0.305 5.531) 5.669 5.275 ( 2.591 -3.865 6.742) 8.191 5.847 ( 0.422 -8.211 2.920) 8.725 6.049 ( -5.520 0.320 0.229) 5.534 6.304 ( 3.024 -5.922 3.407) 7.471 8.078 ( 2.263 5.251 1.610) 5.940 8.299 ( -3.183 -3.655 -6.508) 8.115 8.430 ( 0.437 -1.491 2.306) 2.781 11.569 ( 4.430 -2.108 3.279) 5.900 11.963 ( -12.383 -3.932 -5.048) 13.939 13.148 ( -5.025 10.760 -0.197) 11.878 15.194 ( -2.699 30.244 0.818) 30.375 17.225 ( -3.728 -13.653 2.261) 14.332 17.891 ( 9.626 -27.265 -1.798) 28.970======================= Grid point 299 (110/344) =======================q-point: (-0.33 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.954 ( -7.554 3.502 -1.634) 8.485 3.241 ( 5.423 1.793 -0.761) 5.762 3.990 ( -4.736 11.440 -7.933) 14.705 4.352 ( -7.005 17.156 -6.189) 19.537 5.073 ( -0.065 -3.759 4.494) 5.860 5.277 ( 1.235 -6.951 7.136) 10.038 5.785 ( -0.500 -5.091 -2.024) 5.501 5.930 ( -5.672 -2.739 -0.273) 6.304 6.315 ( 4.236 -7.282 3.005) 8.944 8.129 ( -3.647 2.308 0.846) 4.399 8.236 ( 1.757 1.085 -2.265) 3.066 8.503 ( 7.266 -0.423 3.519) 8.085 11.581 ( -0.333 -9.872 1.481) 9.988 11.877 ( 3.036 10.528 -1.403) 11.046 13.147 ( -8.430 12.647 -0.881) 15.225 15.332 ( -16.853 28.960 1.133) 33.526 17.120 ( 7.892 -14.172 1.599) 16.299 17.825 ( 14.380 -26.320 -2.007) 30.059======================= Grid point 300 (111/344) =======================q-point: (-0.27 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.832 ( -9.128 1.520 -1.194) 9.330 3.322 ( 1.166 3.372 -0.391) 3.589 3.814 ( -19.696 4.294 -6.794) 21.273 4.401 ( -6.145 15.727 -6.188) 17.983 5.033 ( -1.190 -5.309 4.284) 6.925 5.243 ( -0.261 -5.495 5.518) 7.792 5.710 ( -2.303 -1.180 -7.370) 7.811 5.849 ( -0.234 -4.943 4.871) 6.944 6.319 ( 3.541 -7.100 2.449) 8.303 8.088 ( -3.886 3.454 1.076) 5.310 8.265 ( 1.175 -1.031 -0.809) 1.760 8.676 ( 10.855 1.138 2.305) 11.156 11.489 ( 0.720 -5.925 0.376) 5.980 12.143 ( 13.657 10.950 0.518) 17.512 13.106 ( -8.363 9.156 -1.325) 12.471 15.197 ( -24.657 16.934 0.888) 29.925 17.218 ( 12.222 -5.007 2.226) 13.394 17.860 ( 18.359 -20.808 -2.665) 27.877======================= Grid point 301 (112/344) =======================q-point: (-0.20 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.673 ( -11.105 0.893 0.369) 11.147 3.314 ( -13.925 9.651 -0.830) 16.963 3.453 ( -14.561 -6.297 -4.042) 16.371 4.362 ( -11.285 9.705 -5.484) 15.863 4.951 ( -4.606 -5.073 2.844) 7.419 5.201 ( -1.544 -3.536 4.756) 6.124 5.689 ( 1.841 4.151 -3.823) 5.935 5.838 ( 2.373 -4.973 4.172) 6.912 6.315 ( 2.396 -5.369 2.118) 6.250 8.065 ( -2.927 2.142 0.778) 3.710 8.262 ( 0.366 -0.770 -0.559) 1.019 8.872 ( 10.615 0.241 -0.492) 10.629 11.515 ( 6.201 -1.588 0.563) 6.425 12.509 ( 18.636 7.309 -0.448) 20.023 13.048 ( -4.323 2.821 -1.118) 5.282 14.900 ( -22.847 6.010 0.402) 23.628 17.371 ( 6.843 -0.968 2.764) 7.443 18.030 ( 20.101 -9.079 -2.613) 22.210======================= Grid point 302 (113/344) =======================q-point: (-0.13 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.476 ( -13.832 0.718 1.885) 13.978 2.910 ( -30.570 1.093 -1.238) 30.615 3.329 ( -4.973 0.872 -1.017) 5.150 4.176 ( -16.712 3.376 -2.620) 17.250 4.790 ( -10.595 -2.058 -0.398) 10.801 5.156 ( -1.884 -2.578 3.786) 4.953 5.841 ( 7.845 8.855 1.180) 11.889 5.854 ( 4.816 -5.632 2.718) 7.893 6.312 ( 1.149 -2.507 1.406) 3.096 8.031 ( -1.760 -0.589 -0.258) 1.873 8.264 ( -0.193 0.851 0.058) 0.875 9.020 ( 8.444 -1.701 -3.120) 9.161 11.646 ( 9.258 -0.283 0.380) 9.270 12.868 ( 20.879 -4.404 -4.657) 21.841 13.058 ( 4.662 4.446 1.585) 6.635 14.585 ( -17.347 -0.336 -0.077) 17.350 17.425 ( 0.316 -2.047 2.512) 3.256 18.314 ( 17.035 2.598 -1.444) 17.292======================= Grid point 303 (114/344) =======================q-point: (-0.07 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.230 ( -17.372 0.483 2.774) 17.598 2.396 ( -30.674 0.646 0.897) 30.694 3.234 ( -10.147 6.203 0.283) 11.897 3.861 ( -21.139 -1.114 0.723) 21.180 4.568 ( -16.041 3.924 -2.581) 16.714 5.119 ( -1.005 -1.703 1.408) 2.427 5.893 ( 6.568 -5.767 1.450) 8.860 6.099 ( 11.065 5.720 2.174) 12.644 6.314 ( -0.203 0.817 -0.613) 1.041 8.016 ( 0.992 -0.094 1.146) 1.519 8.264 ( -0.927 0.402 0.853) 1.322 9.100 ( 5.644 -3.309 -4.555) 7.972 11.787 ( 9.521 -4.230 0.034) 10.419 13.073 ( 18.662 -9.128 -5.795) 21.568 13.336 ( 17.252 5.064 0.043) 17.980 14.322 ( -11.184 -4.141 -0.374) 11.932 17.365 ( -5.538 -2.469 2.294) 6.483 18.607 ( 11.303 8.117 -0.396) 13.921======================= Grid point 309 (115/344) =======================q-point: ( 0.33 0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.077 ( -0.000 13.200 4.033) 13.803 2.120 ( -0.000 15.723 6.423) 16.985 3.201 ( 0.000 20.104 -5.704) 20.897 3.342 ( 0.000 7.555 -2.256) 7.885 4.558 ( -0.000 19.152 1.645) 19.222 5.352 ( -0.000 13.811 2.108) 13.971 5.860 ( -0.000 -10.667 4.092) 11.425 6.153 ( 0.000 -3.122 -1.021) 3.285 6.739 ( 0.000 -12.857 -3.670) 13.370 8.026 ( -0.000 -1.427 7.011) 7.155 8.216 ( -0.000 6.316 0.815) 6.368 9.107 ( 0.000 -2.006 -3.878) 4.366 11.741 ( 0.000 -15.463 -0.322) 15.466 13.221 ( 0.000 -13.808 -11.953) 18.262 13.387 ( 0.000 -19.870 0.280) 19.872 14.052 ( -0.000 0.804 0.490) 0.942 17.704 ( -0.000 2.353 13.698) 13.899 18.390 ( 0.000 7.655 -12.577) 14.723======================= Grid point 310 (116/344) =======================q-point: ( 0.40 0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.308 ( 8.172 15.216 1.006) 17.301 2.337 ( 9.426 10.469 6.725) 15.610 3.267 ( -4.330 10.982 -5.187) 12.894 3.544 ( 11.759 8.664 -4.732) 15.353 4.755 ( 1.933 16.410 2.761) 16.753 5.466 ( -4.082 13.871 3.031) 14.774 5.789 ( 2.815 -12.220 5.548) 13.713 6.090 ( -3.069 -2.289 0.384) 3.848 6.601 ( -2.924 -6.472 -2.426) 7.505 8.033 ( -0.772 1.023 4.570) 4.746 8.266 ( -1.381 4.380 0.465) 4.616 9.040 ( -3.211 -4.121 -5.251) 7.407 11.651 ( 5.555 -12.901 -0.172) 14.047 12.966 ( -8.154 -17.649 -10.807) 22.243 13.149 ( -4.919 -14.099 1.609) 15.019 14.192 ( 12.782 3.279 0.210) 13.197 17.742 ( -1.552 -0.178 9.620) 9.746 18.375 ( -5.819 4.094 -7.550) 10.374======================= Grid point 311 (117/344) =======================q-point: ( 0.47 0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.555 ( 7.163 10.721 3.603) 13.388 2.739 ( 20.801 11.905 1.623) 24.022 3.270 ( -3.695 6.885 -5.183) 9.377 3.820 ( 14.335 6.349 -5.430) 16.592 4.948 ( 2.715 12.463 3.510) 13.229 5.485 ( -8.427 9.951 2.357) 13.251 5.753 ( 4.764 -12.452 6.272) 14.734 6.058 ( -0.540 1.290 4.843) 5.040 6.497 ( -4.364 -2.168 -0.268) 4.880 8.052 ( -0.382 2.502 1.805) 3.109 8.264 ( -2.305 2.615 -0.179) 3.490 8.877 ( -7.348 -6.313 -7.610) 12.319 11.633 ( 2.532 -7.728 0.567) 8.151 12.611 ( -7.482 -18.650 -8.232) 21.716 13.011 ( 0.994 -7.290 1.367) 7.484 14.503 ( 16.201 9.695 -0.037) 18.880 17.700 ( -4.239 -4.335 6.539) 8.917 18.209 ( -12.498 -2.524 -4.256) 13.442======================= Grid point 312 (118/344) =======================q-point: ( 0.53 0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.784 ( 8.109 7.317 3.335) 11.420 3.216 ( 16.365 2.488 -3.527) 16.925 3.252 ( 1.611 14.390 -2.100) 14.631 4.105 ( 14.248 6.120 -5.028) 16.302 5.098 ( 1.949 7.326 3.808) 8.483 5.408 ( -10.053 5.640 1.949) 11.691 5.742 ( 5.171 -11.752 6.260) 14.285 6.107 ( 0.659 2.482 6.560) 7.044 6.401 ( -5.631 -0.999 1.159) 5.835 8.076 ( -0.968 4.508 -0.472) 4.634 8.256 ( -0.105 0.269 -0.344) 0.449 8.646 ( -8.648 -6.688 -7.783) 13.419 11.575 ( -2.603 -3.166 2.057) 4.586 12.304 ( -6.948 -15.725 -7.298) 18.677 13.070 ( 8.626 0.560 1.550) 8.782 14.911 ( 16.319 17.705 0.048) 24.079 17.559 ( -6.990 -9.043 4.661) 12.344 17.895 ( -14.967 -11.014 -2.894) 18.807======================= Grid point 313 (119/344) =======================q-point: ( 0.60 0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.986 ( 7.908 4.607 2.513) 9.490 3.174 ( -4.550 1.489 -4.271) 6.416 3.702 ( 18.029 14.345 -2.364) 23.161 4.369 ( 10.324 8.131 -4.975) 14.052 5.167 ( -1.629 2.565 4.118) 5.118 5.287 ( -7.785 0.177 2.462) 8.167 5.732 ( 3.839 -10.127 5.066) 11.957 6.137 ( -2.028 1.411 3.050) 3.925 6.294 ( -5.506 -2.439 2.219) 6.418 8.118 ( 0.288 6.442 -0.284) 6.454 8.250 ( 0.801 -2.859 -2.626) 3.964 8.449 ( -5.039 -4.226 -3.301) 7.359 11.542 ( -0.537 0.576 3.940) 4.018 12.023 ( -7.204 -11.847 -6.541) 15.331 13.260 ( 6.243 8.711 0.818) 10.748 15.380 ( 13.640 25.803 0.468) 29.190 17.314 ( -14.310 -8.905 3.373) 17.189 17.530 ( -4.103 -24.469 -2.590) 24.946======================= Grid point 314 (120/344) =======================q-point: ( 0.67 0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.086 ( -6.079 1.403 -1.872) 6.514 3.153 ( 7.137 2.270 0.520) 7.507 4.063 ( 8.823 13.188 -4.260) 16.429 4.551 ( 1.362 11.896 -5.643) 13.237 5.096 ( -6.604 -2.526 4.678) 8.478 5.211 ( -0.085 -5.709 3.635) 6.769 5.709 ( 2.238 -7.205 2.145) 7.844 6.056 ( -8.987 0.783 -0.724) 9.050 6.221 ( 0.425 -4.741 3.072) 5.665 8.196 ( -0.423 4.686 0.643) 4.748 8.213 ( 0.649 -0.706 -2.953) 3.105 8.396 ( 3.292 -2.896 0.375) 4.400 11.552 ( -2.417 -1.707 4.211) 5.147 11.856 ( 1.745 -3.229 -5.051) 6.243 13.401 ( -3.060 12.542 0.171) 12.911 15.803 ( -0.408 30.753 1.116) 30.776 16.979 ( -9.256 -11.447 1.161) 14.767 17.320 ( 10.530 -29.292 -1.524) 31.165======================= Grid point 315 (121/344) =======================q-point: (-0.27 0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.981 ( -7.507 1.213 -0.204) 7.607 3.275 ( 5.517 0.901 -0.568) 5.619 4.143 ( -11.337 8.045 -5.164) 14.830 4.623 ( -4.405 13.773 -5.212) 15.371 4.996 ( -1.270 -7.687 5.693) 9.649 5.179 ( 2.130 -5.743 2.856) 6.758 5.686 ( 0.963 -2.685 -3.077) 4.196 5.911 ( -7.673 -0.247 3.979) 8.647 6.215 ( 2.754 -4.285 1.504) 5.311 8.177 ( -2.788 2.537 -0.442) 3.795 8.238 ( 0.498 -0.625 0.385) 0.887 8.500 ( 10.051 -0.772 -0.548) 10.095 11.459 ( -3.402 -3.785 1.438) 5.289 11.986 ( 12.087 2.841 -1.734) 12.537 13.384 ( -11.017 8.627 -0.030) 13.993 15.791 ( -26.724 13.900 0.909) 30.136 16.981 ( 13.027 1.782 1.360) 13.218 17.311 ( 20.079 -22.468 -1.776) 30.185======================= Grid point 316 (122/344) =======================q-point: (-0.20 0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.856 ( -9.202 1.104 1.744) 9.430 3.347 ( 3.088 -0.744 -1.957) 3.731 3.861 ( -24.410 3.522 -2.807) 24.822 4.598 ( -9.318 5.608 -3.893) 11.550 4.946 ( 0.470 -4.810 4.239) 6.428 5.181 ( 1.407 -2.761 1.099) 3.288 5.689 ( 1.720 3.171 -4.041) 5.417 5.838 ( -3.414 -0.743 8.684) 9.361 6.238 ( 3.131 -1.685 0.425) 3.581 8.130 ( -3.842 -0.909 -0.170) 3.952 8.252 ( 0.889 1.164 0.565) 1.570 8.669 ( 11.421 -1.651 -3.158) 11.965 11.430 ( 2.089 -0.196 1.087) 2.363 12.237 ( 16.014 -0.381 -2.345) 16.189 13.225 ( -11.876 0.616 0.486) 11.902 15.363 ( -28.371 -0.513 0.192) 28.376 17.213 ( 11.353 -2.031 1.054) 11.582 17.600 ( 24.670 2.375 -0.646) 24.792======================= Grid point 317 (123/344) =======================q-point: (-0.13 0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.701 ( -11.293 0.497 3.150) 11.735 3.289 ( -11.146 -6.269 -3.516) 13.263 3.499 ( -17.304 7.726 0.581) 18.959 4.414 ( -11.940 -3.098 -1.182) 12.392 4.909 ( -4.355 1.128 -0.128) 4.500 5.167 ( -0.902 -1.755 1.072) 2.246 5.804 ( 6.084 6.243 0.943) 8.768 5.817 ( -1.525 -0.059 8.460) 8.597 6.288 ( 2.168 2.403 -0.505) 3.275 8.045 ( -2.845 -3.446 -1.182) 4.622 8.282 ( 0.077 2.106 1.421) 2.541 8.814 ( 10.650 -3.940 -6.083) 12.882 11.516 ( 5.920 1.308 0.686) 6.101 12.463 ( 17.135 -9.369 -4.596) 20.063 13.080 ( -3.072 -0.575 1.769) 3.591 14.893 ( -22.808 -6.650 -0.238) 23.759 17.350 ( 6.958 -1.612 0.636) 7.171 18.064 ( 20.246 12.330 0.692) 23.715======================= Grid point 318 (124/344) =======================q-point: (-0.07 0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.499 ( -14.048 -1.214 3.443) 14.515 2.886 ( -25.976 0.202 -0.201) 25.978 3.416 ( -5.922 6.073 -0.482) 8.496 4.150 ( -14.875 -4.358 0.983) 15.531 4.819 ( -9.419 5.288 -2.945) 11.196 5.131 ( -1.690 -1.474 1.283) 2.583 5.805 ( -0.273 -2.326 7.000) 7.381 6.016 ( 8.087 6.447 3.395) 10.886 6.347 ( 0.223 6.063 -1.899) 6.358 7.984 ( 0.479 -3.225 -0.096) 3.262 8.296 ( -1.248 1.295 1.572) 2.389 8.908 ( 9.170 -5.958 -7.700) 13.374 11.606 ( 5.875 -4.961 0.008) 7.689 12.630 ( 19.208 -11.164 -5.520) 22.892 13.157 ( 9.197 2.051 1.006) 9.477 14.484 ( -15.933 -9.881 -0.320) 18.751 17.409 ( -0.078 0.857 0.999) 1.318 18.485 ( 14.702 12.298 1.213) 19.205======================= Grid point 325 (125/344) =======================q-point: ( 0.40 0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.314 ( -0.000 9.186 2.312) 9.473 2.429 ( -0.000 12.629 4.422) 13.381 3.419 ( 0.000 8.113 -7.842) 11.283 3.462 ( 0.000 6.038 -1.727) 6.280 4.901 ( -0.000 14.776 2.434) 14.975 5.616 ( -0.000 -4.232 9.617) 10.507 5.700 ( -0.000 5.353 0.948) 5.436 6.090 ( 0.000 -2.666 -0.645) 2.742 6.540 ( 0.000 -5.260 -5.053) 7.294 8.075 ( -0.000 2.302 4.823) 5.344 8.337 ( -0.000 5.183 0.990) 5.277 9.015 ( 0.000 -4.287 -4.568) 6.265 11.454 ( 0.000 -13.364 -0.510) 13.374 12.849 ( 0.000 -16.320 -10.040) 19.161 13.071 ( -0.000 -13.306 2.123) 13.475 14.072 ( -0.000 0.848 0.545) 1.008 17.782 ( -0.000 0.140 5.320) 5.321 18.468 ( 0.000 4.949 -3.156) 5.870======================= Grid point 326 (126/344) =======================q-point: ( 0.47 0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.525 ( 14.162 7.348 1.800) 16.056 2.584 ( 3.224 10.479 3.732) 11.581 3.388 ( -4.239 5.489 -4.613) 8.330 3.635 ( 11.071 4.099 -3.762) 12.390 5.046 ( 0.853 11.694 1.908) 11.879 5.552 ( 2.223 -13.425 9.844) 16.795 5.764 ( -6.363 11.318 -0.130) 12.984 6.077 ( 1.049 0.149 2.080) 2.335 6.490 ( 0.220 -3.012 -4.058) 5.059 8.107 ( -1.075 3.567 3.420) 5.058 8.354 ( -3.339 3.902 0.682) 5.181 8.906 ( -5.496 -5.417 -6.046) 9.803 11.430 ( 9.852 -9.378 -0.217) 13.604 12.562 ( -10.212 -16.697 -6.972) 20.777 12.944 ( -1.334 -8.480 1.246) 8.675 14.255 ( 18.077 2.975 0.222) 18.322 17.756 ( -4.486 -1.651 2.605) 5.444 18.416 ( -9.952 2.207 -0.567) 10.209======================= Grid point 327 (127/344) =======================q-point: ( 0.53 0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.752 ( 5.153 6.989 3.945) 9.538 2.903 ( 21.385 4.969 -0.984) 21.976 3.369 ( -2.571 6.165 -2.313) 7.068 3.878 ( 15.166 2.857 -2.917) 15.706 5.158 ( 0.588 7.507 1.181) 7.622 5.506 ( 2.558 -11.282 8.401) 14.297 5.712 ( -8.460 6.241 -0.350) 10.519 6.134 ( 1.630 2.456 4.639) 5.496 6.447 ( -1.586 -1.835 -2.345) 3.373 8.136 ( -0.993 4.493 1.542) 4.853 8.318 ( -4.517 2.475 0.425) 5.168 8.701 ( -8.701 -6.156 -7.229) 12.879 11.537 ( 7.211 -2.383 0.825) 7.639 12.220 ( -7.486 -16.112 -5.662) 18.646 12.917 ( 6.008 -3.713 1.417) 7.203 14.681 ( 25.139 8.161 -0.048) 26.430 17.604 ( -9.568 -6.512 0.944) 11.612 18.174 ( -19.427 -0.781 0.634) 19.453======================= Grid point 328 (128/344) =======================q-point: ( 0.60 0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.912 ( 6.383 3.748 2.294) 7.750 3.180 ( 5.522 -0.285 -3.584) 6.589 3.519 ( 14.564 10.142 1.639) 17.823 4.170 ( 16.679 3.003 -1.813) 17.044 5.214 ( -0.731 3.334 0.575) 3.462 5.447 ( -4.078 -4.646 3.880) 7.299 5.633 ( -3.253 -1.358 2.414) 4.273 6.176 ( -0.409 0.868 2.727) 2.891 6.379 ( -4.528 -1.077 -0.452) 4.676 8.175 ( -0.112 5.006 0.353) 5.020 8.257 ( -4.021 0.335 -1.422) 4.279 8.489 ( -6.922 -4.589 -4.112) 9.267 11.598 ( -0.705 3.966 3.238) 5.169 11.964 ( -4.203 -14.217 -5.872) 15.946 13.102 ( 15.907 1.144 1.099) 15.986 15.230 ( 27.075 13.851 -0.068) 30.413 17.331 ( -11.288 -12.497 -0.051) 16.840 17.767 ( -26.527 -3.348 0.953) 26.755======================= Grid point 329 (129/344) =======================q-point: ( 0.67 0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.051 ( 6.942 1.009 0.352) 7.023 3.173 ( -3.225 0.992 -1.038) 3.530 3.918 ( 18.696 7.180 1.075) 20.056 4.465 ( 14.477 3.827 -1.122) 15.016 5.199 ( -2.785 -0.336 -0.039) 2.805 5.287 ( -12.035 -1.278 0.509) 12.113 5.607 ( 2.438 -5.220 3.400) 6.690 6.159 ( -2.029 -0.104 -1.010) 2.269 6.262 ( -7.719 -1.639 0.553) 7.911 8.190 ( -0.715 -0.775 -1.703) 2.003 8.247 ( 1.040 5.896 -0.216) 5.991 8.362 ( -3.400 -3.550 0.033) 4.916 11.640 ( -3.346 4.959 5.231) 7.946 11.765 ( -1.029 -8.610 -5.950) 10.516 13.397 ( 13.199 3.854 0.309) 13.753 15.831 ( 25.453 16.692 0.070) 30.438 17.029 ( -6.541 -15.905 -0.654) 17.210 17.255 ( -28.774 -4.380 0.864) 29.118======================= Grid point 330 (130/344) =======================q-point: (-0.27 0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.106 ( -5.410 1.275 0.807) 5.616 3.169 ( 6.425 -0.618 -0.945) 6.524 4.218 ( 8.743 2.746 0.657) 9.187 4.694 ( 7.436 4.146 -0.761) 8.547 5.052 ( -11.813 -3.993 1.247) 12.532 5.133 ( -2.175 -1.910 -1.187) 3.128 5.625 ( 2.700 -1.612 0.070) 3.145 6.079 ( -9.097 1.806 0.442) 9.285 6.157 ( 0.233 -2.980 -0.325) 3.006 8.200 ( 1.388 1.888 -0.823) 2.484 8.272 ( -3.972 -1.182 1.758) 4.502 8.351 ( 6.061 0.605 -0.934) 6.162 11.528 ( -6.422 -2.745 0.019) 6.984 11.830 ( 7.388 3.196 -0.018) 8.050 13.537 ( -0.355 -0.146 -0.000) 0.384 16.214 ( -3.126 -1.436 -0.001) 3.440 16.884 ( 3.123 3.007 0.173) 4.339 16.896 ( -0.945 -1.994 -0.170) 2.213======================= Grid point 331 (131/344) =======================q-point: (-0.20 0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.012 ( -7.443 0.556 2.736) 7.949 3.255 ( 5.356 -1.350 -2.556) 6.086 4.196 ( -11.923 -1.394 -0.064) 12.005 4.711 ( -5.118 -8.222 1.921) 9.873 4.926 ( -0.254 3.045 -0.031) 3.056 5.127 ( 2.414 0.437 -1.762) 3.020 5.666 ( 2.534 2.876 -2.598) 4.631 5.967 ( -6.906 1.495 7.069) 9.995 6.178 ( 3.538 1.183 -2.148) 4.305 8.178 ( -4.115 -2.777 -0.310) 4.974 8.258 ( 1.159 2.694 2.154) 3.638 8.466 ( 8.505 -1.526 -3.671) 9.389 11.452 ( -2.056 2.393 0.692) 3.230 11.991 ( 9.947 -1.342 -1.190) 10.107 13.388 ( -10.515 -8.330 0.314) 13.419 15.779 ( -26.359 -15.030 -0.196) 30.344 16.962 ( 12.414 -2.220 -0.484) 12.621 17.337 ( 20.595 23.453 0.804) 31.223======================= Grid point 332 (132/344) =======================q-point: (-0.13 0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.881 ( -9.112 -1.442 3.529) 9.877 3.295 ( 1.326 -1.155 -3.195) 3.647 3.889 ( -20.567 -0.287 0.632) 20.579 4.492 ( -6.875 -13.573 1.398) 15.279 4.976 ( -0.768 5.016 -0.767) 5.132 5.164 ( 0.828 1.102 -1.008) 1.708 5.768 ( 5.100 5.795 0.044) 7.719 5.917 ( -4.361 1.847 9.005) 10.174 6.274 ( 4.017 5.984 -1.762) 7.420 8.070 ( -4.738 -3.375 -0.717) 5.861 8.305 ( 0.590 1.758 3.137) 3.644 8.571 ( 9.627 -4.530 -7.759) 13.168 11.499 ( 0.861 6.107 1.274) 6.297 12.101 ( 11.505 -11.698 -3.523) 16.781 13.133 ( -7.153 -8.201 1.154) 10.943 15.185 ( -24.498 -17.351 -0.290) 30.022 17.192 ( 11.980 4.482 -0.291) 12.795 17.900 ( 18.992 21.505 1.205) 28.716======================= Grid point 333 (133/344) =======================q-point: (-0.07 0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.697 ( -11.075 -3.838 3.172) 12.142 3.216 ( -11.237 1.821 -1.541) 11.487 3.603 ( -12.844 2.477 0.459) 13.088 4.258 ( -6.612 -11.076 0.062) 12.899 4.974 ( -4.534 4.767 -1.392) 6.725 5.163 ( -1.991 1.103 0.895) 2.445 5.864 ( -2.035 0.971 7.612) 7.939 5.973 ( 5.242 6.668 3.367) 9.126 6.396 ( 2.058 8.682 -1.502) 9.048 7.967 ( -2.928 -3.060 0.194) 4.240 8.331 ( -0.326 0.916 2.856) 3.017 8.646 ( 9.870 -7.430 -10.149) 15.988 11.520 ( -1.416 -4.365 0.397) 4.606 12.201 ( 17.442 -9.487 -4.083) 20.270 13.059 ( 3.203 -1.903 0.858) 3.823 14.646 ( -18.821 -17.731 -0.208) 25.858 17.400 ( 5.367 6.709 0.246) 8.595 18.375 ( 14.963 16.017 1.362) 21.961======================= Grid point 341 (134/344) =======================q-point: ( 0.47 0.47 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.466 ( -0.000 5.343 1.368) 5.515 2.668 ( -0.000 8.693 4.864) 9.962 3.460 ( 0.000 1.832 -5.285) 5.593 3.549 ( 0.000 3.922 -1.229) 4.110 5.146 ( -0.000 9.006 0.454) 9.018 5.434 ( -0.000 -12.568 9.742) 15.901 5.948 ( -0.000 11.337 0.101) 11.337 6.046 ( 0.000 -1.646 0.050) 1.647 6.448 ( 0.000 -1.606 -3.588) 3.931 8.161 ( -0.000 3.375 2.704) 4.325 8.421 ( -0.000 3.011 0.369) 3.033 8.897 ( 0.000 -4.045 -5.057) 6.475 11.233 ( 0.000 -8.902 -0.263) 8.906 12.508 ( 0.000 -12.133 -6.481) 13.755 12.885 ( -0.000 -7.600 2.084) 7.881 14.090 ( -0.000 0.642 0.355) 0.734 17.804 ( -0.000 0.381 0.677) 0.777 18.524 ( -0.000 1.555 0.998) 1.848======================= Grid point 342 (135/344) =======================q-point: ( 0.53 0.47 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.635 ( 13.856 3.345 0.226) 14.255 2.771 ( 1.901 5.496 5.307) 7.873 3.439 ( -1.575 2.588 -1.826) 3.537 3.672 ( 10.165 1.825 -1.570) 10.446 5.216 ( 0.339 4.849 -0.753) 4.919 5.378 ( 2.183 -9.484 8.726) 13.071 5.918 ( -8.156 4.508 -1.187) 9.395 6.120 ( 3.886 2.419 0.866) 4.658 6.431 ( 0.132 -0.727 -1.852) 1.994 8.192 ( -0.492 2.913 1.066) 3.141 8.416 ( -3.446 1.986 0.139) 3.980 8.776 ( -7.656 -3.250 -5.168) 9.792 11.293 ( 14.108 -4.604 0.001) 14.840 12.266 ( -12.600 -9.230 -4.355) 16.214 12.831 ( 0.742 -4.358 1.796) 4.771 14.303 ( 22.237 1.762 0.046) 22.307 17.736 ( -8.315 -0.875 -0.334) 8.368 18.442 ( -11.274 0.225 1.512) 11.377======================= Grid point 343 (136/344) =======================q-point: ( 0.60 0.47 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.854 ( 5.170 1.061 -0.429) 5.295 2.961 ( 16.998 2.126 3.265) 17.439 3.465 ( 2.149 3.163 1.859) 4.251 3.904 ( 15.850 1.274 -0.433) 15.907 5.251 ( 0.127 2.361 -1.647) 2.882 5.367 ( 2.874 -7.244 6.411) 10.091 5.798 ( -9.779 2.536 -1.245) 10.179 6.176 ( 1.335 -0.179 -1.070) 1.721 6.418 ( -1.385 0.189 0.272) 1.424 8.212 ( 0.010 1.740 -0.719) 1.883 8.348 ( -5.716 0.639 -1.522) 5.950 8.589 ( -9.389 -0.717 -1.845) 9.596 11.541 ( 14.432 0.850 1.086) 14.498 11.956 ( -12.192 -6.431 -3.347) 14.185 12.877 ( 8.761 -1.496 1.440) 9.004 14.796 ( 31.811 3.258 -0.271) 31.978 17.508 ( -15.910 -2.725 -0.834) 16.164 18.167 ( -21.441 -0.711 1.463) 21.503======================= Grid point 344 (137/344) =======================q-point: (-0.33 -0.53 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.941 ( 6.057 -1.524 -0.645) 6.279 3.188 ( 4.696 2.159 0.904) 5.247 3.643 ( 16.431 -0.046 4.884) 17.142 4.206 ( 17.836 1.215 1.072) 17.910 5.240 ( -2.324 -0.003 -2.438) 3.368 5.369 ( 0.813 -3.379 2.123) 4.072 5.638 ( -8.890 -0.519 -0.159) 8.907 6.160 ( -0.525 -2.057 -3.860) 4.405 6.370 ( -5.332 0.284 0.104) 5.341 8.201 ( -1.078 -1.459 -2.815) 3.349 8.274 ( -1.971 1.285 -1.125) 2.608 8.461 ( -7.616 2.854 3.248) 8.758 11.679 ( -0.340 -8.289 -2.467) 8.655 11.786 ( -3.137 9.642 2.320) 10.402 13.114 ( 18.745 -0.535 0.377) 18.756 15.376 ( 33.811 -0.061 -0.536) 33.816 17.190 ( -17.786 -0.050 -0.977) 17.812 17.739 ( -28.711 -0.387 1.181) 28.738======================= Grid point 345 (138/344) =======================q-point: (-0.27 -0.53 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.025 ( 6.962 -2.959 -2.186) 7.874 3.212 ( -3.288 2.221 2.712) 4.806 3.958 ( 19.433 -5.587 4.978) 20.824 4.505 ( 15.477 -0.219 2.787) 15.727 5.161 ( -4.636 -2.187 -3.985) 6.493 5.255 ( -11.204 -0.938 -2.255) 11.467 5.581 ( 1.842 1.067 1.118) 2.404 6.115 ( 0.073 -2.015 -5.402) 5.766 6.247 ( -8.607 0.173 -0.786) 8.645 8.189 ( 1.481 0.471 -1.248) 1.993 8.256 ( 0.040 -2.820 0.168) 2.825 8.406 ( -5.359 5.554 4.095) 8.737 11.545 ( -2.531 -5.926 -4.179) 7.680 11.878 ( -2.367 11.395 5.183) 12.740 13.390 ( 13.389 -4.552 -0.358) 14.146 15.821 ( 24.926 -17.038 -0.855) 30.204 17.025 ( -6.116 14.753 -1.036) 16.004 17.258 ( -28.566 4.977 1.166) 29.020======================= Grid point 346 (139/344) =======================q-point: (-0.20 -0.53 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.074 ( 2.270 -4.759 -2.890) 6.013 3.188 ( -1.254 2.323 3.636) 4.493 4.148 ( 9.804 -11.205 4.073) 15.436 4.668 ( 2.745 -8.495 5.195) 10.330 4.994 ( -6.379 0.505 -5.222) 8.259 5.139 ( -2.497 3.019 -2.926) 4.890 5.655 ( 2.487 5.040 -1.741) 5.884 6.082 ( -2.202 -3.106 -1.438) 4.070 6.151 ( -1.263 4.994 -1.736) 5.436 8.178 ( -0.334 -5.284 -0.480) 5.317 8.282 ( 2.201 3.937 1.470) 4.744 8.394 ( -2.435 2.248 1.736) 3.741 11.484 ( 0.528 0.309 -2.566) 2.638 11.943 ( -2.346 5.756 3.573) 7.169 13.395 ( -2.442 -12.710 -0.351) 12.948 15.784 ( -0.557 -30.613 -0.668) 30.626 16.962 ( -8.670 10.056 -0.446) 13.285 17.341 ( 10.494 29.877 0.459) 31.670======================= Grid point 347 (140/344) =======================q-point: (-0.13 0.47 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.981 ( -5.174 -6.174 0.582) 8.077 3.247 ( 3.212 2.475 0.032) 4.055 4.090 ( -4.764 -9.638 1.810) 10.902 4.453 ( -8.932 -16.395 2.330) 18.815 5.014 ( 2.098 4.139 -1.052) 4.758 5.161 ( 1.180 3.738 -2.705) 4.763 5.755 ( 3.476 7.010 -1.191) 7.915 6.013 ( -2.905 -0.745 2.829) 4.122 6.258 ( 5.074 8.162 -1.616) 9.746 8.112 ( -2.202 -3.382 -0.421) 4.058 8.330 ( -2.520 0.375 6.302) 6.797 8.397 ( 4.383 -0.622 -6.456) 7.828 11.564 ( 3.837 8.790 -0.272) 9.595 11.893 ( -3.264 -9.044 0.273) 9.618 13.158 ( -7.210 -12.045 0.217) 14.040 15.317 ( -16.729 -28.923 -0.271) 33.414 17.100 ( 7.813 13.670 -0.359) 15.749 17.850 ( 15.036 26.371 0.455) 30.360======================= Grid point 348 (141/344) =======================q-point: (-0.07 0.47 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.808 ( -7.472 -7.366 1.377) 10.583 3.317 ( 0.641 4.918 -0.980) 5.055 3.861 ( -14.631 -2.573 0.819) 14.879 4.182 ( -2.900 -17.553 -0.578) 17.801 5.059 ( -1.019 3.399 -0.431) 3.574 5.206 ( 0.249 2.930 0.654) 3.012 5.885 ( 3.365 4.645 1.620) 5.960 6.001 ( 0.071 2.872 3.001) 4.154 6.428 ( 4.411 9.509 -0.613) 10.500 8.033 ( -5.332 0.071 1.610) 5.570 8.305 ( 2.834 -5.807 1.339) 6.599 8.437 ( 3.125 -1.636 -6.135) 7.077 11.574 ( -11.348 -8.572 1.007) 14.257 11.861 ( 15.003 0.046 -2.301) 15.179 13.014 ( -0.766 -3.702 0.333) 3.795 14.750 ( -17.930 -25.152 -0.069) 30.889 17.376 ( 8.036 12.249 0.012) 14.650 18.312 ( 12.921 18.788 0.563) 22.809======================= Grid point 357 (142/344) =======================q-point: ( 0.53 0.53 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.539 ( -0.000 1.478 0.726) 1.647 2.815 ( -0.000 2.199 6.148) 6.530 3.463 ( 0.000 1.320 -0.229) 1.339 3.596 ( 0.000 1.615 -0.712) 1.765 5.224 ( 0.000 -1.119 -0.035) 1.119 5.326 ( -0.000 -3.323 5.541) 6.461 6.027 ( -0.000 -0.580 0.665) 0.883 6.088 ( 0.000 3.865 -3.980) 5.548 6.428 ( -0.000 0.575 0.834) 1.013 8.213 ( 0.000 0.681 -1.061) 1.261 8.459 ( 0.000 0.897 -0.377) 0.973 8.819 ( 0.000 -0.286 -3.844) 3.855 11.115 ( 0.000 -3.079 0.049) 3.079 12.323 ( 0.000 -3.112 -3.662) 4.806 12.800 ( -0.000 -2.916 2.606) 3.911 14.099 ( -0.000 0.177 0.082) 0.195 17.809 ( 0.000 0.261 -1.006) 1.039 18.545 ( -0.000 -0.170 1.678) 1.686======================= Grid point 358 (143/344) =======================q-point: (-0.40 -0.47 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.658 ( 12.145 -0.602 -1.345) 12.234 2.855 ( 2.714 -1.378 7.294) 7.904 3.480 ( -0.305 1.438 2.608) 2.994 3.693 ( 9.970 0.970 0.260) 10.020 5.229 ( 2.026 -0.537 -0.441) 2.142 5.313 ( 0.087 -3.439 2.887) 4.492 5.950 ( -7.083 0.200 -1.242) 7.194 6.127 ( 2.504 -0.966 -4.264) 5.039 6.444 ( -0.202 1.355 2.855) 3.167 8.203 ( 0.152 -1.339 -3.347) 3.608 8.428 ( -3.801 -0.203 -1.360) 4.042 8.748 ( -7.461 2.749 -1.039) 8.018 11.250 ( 16.076 0.007 0.216) 16.078 12.170 ( -13.997 1.859 -2.080) 14.273 12.798 ( 1.344 -0.469 2.430) 2.816 14.320 ( 23.821 -0.056 -0.191) 23.822 17.721 ( -9.869 -0.100 -1.468) 9.978 18.449 ( -11.600 -0.475 1.631) 11.723======================= Grid point 359 (144/344) =======================q-point: (-0.33 -0.47 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.803 ( 7.117 -3.939 -3.253) 8.760 3.020 ( 15.554 -0.898 6.968) 17.067 3.496 ( 1.716 -2.263 4.605) 5.410 3.932 ( 16.010 1.026 2.451) 16.229 5.247 ( -0.612 -1.739 -3.908) 4.321 5.308 ( 3.416 -0.877 2.561) 4.359 5.790 ( -9.901 -2.248 -2.064) 10.360 6.117 ( 0.590 -2.766 -5.811) 6.463 6.449 ( -2.645 1.324 2.265) 3.726 8.168 ( 0.127 -3.234 -4.617) 5.638 8.338 ( -4.808 -0.424 -1.658) 5.104 8.659 ( -8.347 5.954 3.791) 10.931 11.528 ( 12.237 -1.931 -0.130) 12.389 11.992 ( -9.786 10.757 0.143) 14.543 12.877 ( 8.143 0.539 1.502) 8.298 14.793 ( 31.762 -3.224 -0.514) 31.930 17.497 ( -15.817 2.263 -1.886) 16.089 18.169 ( -21.477 0.080 1.617) 21.538======================= Grid point 360 (145/344) =======================q-point: (-0.27 -0.47 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.861 ( 6.918 -5.184 -2.614) 9.031 3.253 ( 5.286 2.292 3.564) 6.775 3.573 ( 14.920 -10.926 6.608) 19.637 4.233 ( 17.189 -0.509 4.433) 17.759 5.173 ( -2.057 -4.689 -3.690) 6.311 5.363 ( -1.985 1.935 -3.453) 4.428 5.609 ( -5.004 -1.136 -0.314) 5.141 6.067 ( -0.070 -3.063 -7.514) 8.114 6.376 ( -6.971 0.270 -0.940) 7.040 8.141 ( 1.786 -2.567 -2.435) 3.963 8.267 ( -2.513 -0.805 -0.138) 2.642 8.605 ( -8.026 7.444 6.038) 12.502 11.537 ( -3.038 -2.920 -2.696) 5.003 12.076 ( -2.253 15.942 4.808) 16.803 13.087 ( 15.516 -2.100 -0.257) 15.660 15.224 ( 26.861 -13.675 -0.669) 30.149 17.303 ( -11.356 10.577 -2.642) 15.741 17.779 ( -26.173 4.220 2.015) 26.587======================= Grid point 361 (146/344) =======================q-point: (-0.20 -0.47 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.916 ( 6.961 -6.098 -3.899) 10.042 3.275 ( -3.472 0.888 4.993) 6.146 3.776 ( 18.904 -15.637 4.772) 24.993 4.486 ( 12.175 -5.150 6.412) 14.692 5.062 ( -4.522 -4.375 -6.229) 8.854 5.226 ( -7.224 -0.475 -3.205) 7.917 5.661 ( 3.520 7.078 -1.346) 8.019 6.021 ( 1.377 -2.754 -8.450) 8.993 6.256 ( -5.892 1.513 -1.395) 6.241 8.124 ( -0.018 -5.211 0.308) 5.220 8.267 ( 2.341 2.298 -0.540) 3.325 8.561 ( -8.303 6.614 6.842) 12.629 11.471 ( -1.176 0.878 -2.975) 3.317 12.152 ( -7.969 12.442 5.868) 15.898 13.241 ( 6.769 -9.120 -1.021) 11.403 15.370 ( 13.318 -25.461 -0.477) 28.738 17.252 ( -11.319 8.151 -2.745) 14.216 17.575 ( -6.443 24.230 1.832) 25.139======================= Grid point 362 (147/344) =======================q-point: (-0.13 -0.47 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.919 ( 2.446 -8.616 -3.987) 9.804 3.255 ( -0.332 0.664 4.794) 4.851 3.882 ( 11.118 -16.838 1.948) 20.272 4.480 ( -5.833 -12.694 3.958) 14.519 4.986 ( 2.342 0.737 -2.873) 3.779 5.173 ( -0.123 1.735 -2.721) 3.230 5.779 ( 2.146 8.551 -2.220) 9.092 5.997 ( 1.611 -2.593 -6.635) 7.304 6.264 ( 2.723 6.663 0.225) 7.202 8.065 ( 0.086 -5.820 0.178) 5.824 8.338 ( 2.823 1.705 -3.251) 4.631 8.489 ( -9.476 4.466 8.447) 13.457 11.515 ( 4.738 3.496 -2.027) 6.227 12.061 ( -14.880 3.555 4.481) 15.941 13.142 ( -3.851 -10.110 -0.749) 10.845 15.184 ( -2.861 -29.991 -0.122) 30.127 17.195 ( -2.568 12.755 -0.704) 13.030 17.907 ( 9.300 27.428 -0.215) 28.963======================= Grid point 373 (148/344) =======================q-point: (-0.40 -0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.533 ( 0.000 -2.437 0.116) 2.440 2.819 ( -0.000 -6.000 6.485) 8.835 3.525 ( -0.000 2.834 5.779) 6.437 3.602 ( 0.000 -0.749 -0.190) 0.772 5.211 ( 0.000 1.680 -1.603) 2.322 5.280 ( -0.000 -5.024 1.289) 5.186 6.032 ( -0.000 0.502 1.159) 1.263 6.047 ( 0.000 -3.828 -7.107) 8.072 6.471 ( -0.000 1.598 4.174) 4.469 8.167 ( 0.000 -2.735 -5.413) 6.065 8.452 ( 0.000 -1.101 -0.992) 1.482 8.844 ( 0.000 4.381 -1.430) 4.608 11.118 ( -0.000 3.232 0.291) 3.245 12.347 ( 0.000 7.280 -1.431) 7.419 12.807 ( -0.000 1.661 3.361) 3.749 14.097 ( 0.000 -0.408 -0.163) 0.440 17.796 ( 0.000 -0.680 -2.201) 2.304 18.548 ( -0.000 -0.546 1.922) 1.998======================= Grid point 374 (149/344) =======================q-point: (-0.33 -0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.596 ( 9.905 -4.453 -2.251) 11.091 2.810 ( 6.246 -8.399 7.807) 13.057 3.512 ( -2.856 -1.283 4.432) 5.426 3.722 ( 11.146 0.649 3.975) 11.852 5.203 ( -0.034 -5.852 -4.013) 7.096 5.274 ( 2.370 3.446 0.575) 4.222 5.896 ( -7.303 -5.074 -4.029) 9.763 6.063 ( 0.966 -1.490 -2.972) 3.462 6.500 ( -0.586 1.724 3.908) 4.311 8.116 ( -0.023 -3.516 -6.130) 7.067 8.397 ( -3.815 -1.917 -1.486) 4.521 8.845 ( -5.000 6.331 1.199) 8.156 11.296 ( 13.798 4.646 0.286) 14.562 12.308 ( -12.625 12.855 -0.374) 18.021 12.846 ( 0.446 3.533 3.342) 4.884 14.299 ( 22.279 -1.834 -0.365) 22.357 17.706 ( -8.249 -0.231 -3.113) 8.820 18.454 ( -11.339 -0.181 2.477) 11.608======================= Grid point 375 (150/344) =======================q-point: (-0.27 -0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.675 ( 7.172 -7.073 -3.131) 10.549 2.980 ( 19.801 -8.493 6.377) 22.470 3.450 ( -2.708 -5.254 4.883) 7.667 3.967 ( 15.420 -0.869 5.924) 16.542 5.115 ( -0.149 -8.569 -3.182) 9.142 5.374 ( 2.655 6.393 -4.432) 8.219 5.691 ( -7.823 -5.511 -2.420) 9.870 6.026 ( -1.264 -2.094 -5.236) 5.779 6.479 ( -4.848 0.595 0.488) 4.909 8.075 ( 1.466 -2.841 -3.867) 5.017 8.307 ( -3.642 -1.853 -0.679) 4.142 8.825 ( -6.562 7.722 4.413) 11.053 11.523 ( 5.299 2.456 -0.538) 5.865 12.304 ( -4.740 19.284 2.101) 19.969 12.921 ( 4.088 2.912 1.978) 5.395 14.677 ( 25.144 -7.959 -0.515) 26.378 17.545 ( -9.691 3.881 -4.370) 11.317 18.205 ( -19.306 2.397 3.359) 19.742======================= Grid point 376 (151/344) =======================q-point: (-0.20 -0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.712 ( 7.579 -8.079 -3.321) 11.565 3.269 ( 21.672 -9.893 3.079) 24.021 3.352 ( -2.535 -9.220 5.694) 11.129 4.230 ( 15.189 -4.213 7.097) 17.287 5.017 ( -0.216 -8.738 -3.939) 9.587 5.321 ( -7.456 -3.318 -6.203) 10.251 5.665 ( 3.862 7.986 -1.295) 8.965 5.960 ( -1.054 -2.423 -7.532) 7.982 6.363 ( -7.127 -0.445 -2.439) 7.546 8.076 ( 1.339 -2.992 -0.335) 3.294 8.258 ( -0.139 0.042 0.017) 0.147 8.798 ( -8.002 7.756 6.488) 12.895 11.537 ( -3.918 4.115 -1.630) 5.911 12.442 ( -6.161 17.737 5.861) 19.670 13.045 ( 7.911 -1.273 -0.764) 8.049 14.907 ( 16.263 -17.339 -0.306) 23.774 17.454 ( -6.591 5.913 -5.221) 10.280 17.966 ( -15.187 13.223 3.735) 20.480======================= Grid point 377 (152/344) =======================q-point: (-0.13 -0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.739 ( 6.435 -9.307 -4.401) 12.141 3.244 ( 0.634 -11.876 5.545) 13.122 3.498 ( 15.855 -10.306 0.702) 18.923 4.380 ( 5.984 -10.262 5.607) 13.136 4.927 ( 1.495 -5.528 -3.684) 6.809 5.186 ( -2.692 -1.760 -2.575) 4.120 5.823 ( 2.822 10.253 -2.862) 11.012 5.908 ( 1.511 -2.232 -9.416) 9.794 6.288 ( -0.467 2.500 -0.590) 2.611 8.033 ( -1.725 -4.276 1.157) 4.754 8.297 ( 2.816 1.297 -1.460) 3.427 8.742 ( -9.980 6.534 8.185) 14.467 11.526 ( -1.860 5.237 -1.280) 5.703 12.410 ( -16.084 9.633 6.058) 19.702 13.096 ( 0.938 -2.769 -1.467) 3.271 14.891 ( 5.527 -23.245 0.065) 23.893 17.364 ( -6.333 5.141 -2.198) 8.448 18.065 ( 1.954 24.182 0.451) 24.265======================= Grid point 389 (153/344) =======================q-point: (-0.33 -0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.446 ( 0.000 -6.453 -0.615) 6.482 2.682 ( -0.000 -12.170 6.146) 13.634 3.565 ( 0.000 -3.089 0.290) 3.103 3.614 ( -0.000 -0.116 9.596) 9.597 5.113 ( 0.000 -9.880 -3.198) 10.384 5.305 ( 0.000 7.569 -2.478) 7.964 5.866 ( 0.000 -9.420 -7.111) 11.803 6.062 ( -0.000 1.666 1.598) 2.309 6.536 ( -0.000 2.149 4.407) 4.903 8.062 ( 0.000 -3.300 -6.873) 7.624 8.402 ( 0.000 -3.211 -1.435) 3.517 8.947 ( -0.000 6.207 -0.312) 6.215 11.241 ( -0.000 9.061 0.463) 9.073 12.575 ( -0.000 16.434 -0.381) 16.439 12.910 ( -0.000 6.282 4.676) 7.831 14.083 ( 0.000 -0.829 -0.298) 0.881 17.745 ( 0.000 -2.476 -4.612) 5.235 18.556 ( -0.000 -0.338 3.815) 3.830======================= Grid point 390 (154/344) =======================q-point: (-0.27 -0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.457 ( 8.433 -8.260 -2.745) 12.119 2.636 ( 8.883 -14.508 6.617) 18.253 3.475 ( -4.026 -5.189 3.297) 7.349 3.745 ( 11.138 -3.327 7.300) 13.726 5.001 ( 0.540 -11.836 -2.357) 12.080 5.390 ( 1.553 8.040 -6.450) 10.424 5.714 ( -3.832 -8.199 -4.282) 10.012 6.054 ( -3.336 1.212 0.058) 3.550 6.555 ( -2.472 1.865 1.999) 3.686 8.015 ( 0.755 -2.493 -5.247) 5.858 8.335 ( -2.739 -3.494 -1.132) 4.581 8.984 ( -2.719 6.676 1.378) 7.338 11.434 ( 9.270 9.346 0.188) 13.165 12.639 ( -10.240 20.550 0.091) 22.961 12.981 ( -1.812 7.619 4.973) 9.277 14.249 ( 18.228 -2.933 -0.388) 18.467 17.657 ( -4.572 -1.929 -6.303) 8.022 18.483 ( -10.028 0.697 5.381) 11.402======================= Grid point 391 (155/344) =======================q-point: (-0.20 -0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.486 ( 7.428 -10.456 -2.813) 13.131 2.763 ( 20.197 -17.231 3.623) 26.795 3.362 ( -3.139 -7.047 3.618) 8.521 3.948 ( 15.127 -6.334 6.884) 17.786 4.892 ( 1.304 -12.592 -1.664) 12.768 5.356 ( -4.726 -5.242 -9.431) 11.779 5.685 ( 2.862 8.437 -0.959) 8.961 5.984 ( -5.124 0.551 -2.323) 5.653 6.473 ( -7.624 -0.499 -2.636) 8.082 8.018 ( 2.619 -1.244 -1.504) 3.266 8.266 ( -1.461 -1.840 0.106) 2.351 8.996 ( -4.731 6.769 3.791) 9.087 11.621 ( 1.446 7.757 -0.608) 7.914 12.733 ( -4.168 22.810 2.710) 23.345 13.021 ( -2.654 5.870 3.020) 7.115 14.501 ( 16.378 -9.366 -0.288) 18.869 17.551 ( -3.902 0.086 -7.383) 8.351 18.320 ( -13.186 6.235 6.058) 15.794======================= Grid point 392 (156/344) =======================q-point: (-0.13 -0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.503 ( 8.175 -11.284 -3.437) 14.352 2.894 ( 16.056 -24.572 1.862) 29.412 3.313 ( 3.969 -3.122 2.139) 5.484 4.136 ( 12.819 -10.733 5.366) 17.559 4.795 ( 3.034 -11.672 -1.607) 12.166 5.200 ( -3.448 -4.342 -4.645) 7.234 5.860 ( 4.214 11.563 -2.645) 12.588 5.892 ( -4.303 0.999 -5.021) 6.688 6.332 ( -4.776 -0.785 -2.533) 5.463 8.028 ( -0.230 -1.799 0.376) 1.853 8.265 ( 1.623 0.470 -0.001) 1.690 8.975 ( -7.209 6.035 5.825) 11.060 11.651 ( -4.991 7.609 -0.732) 9.130 12.807 ( -14.673 14.024 7.338) 21.583 13.076 ( 2.399 7.380 -1.728) 7.951 14.584 ( 8.198 -15.398 0.118) 17.444 17.462 ( -3.999 -1.096 -4.753) 6.307 18.292 ( -3.871 16.724 2.852) 17.401======================= Grid point 405 (157/344) =======================q-point: (-0.27 -0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.272 ( 0.000 -10.753 -1.637) 10.877 2.434 ( -0.000 -17.198 4.610) 17.805 3.487 ( -0.000 -5.223 0.694) 5.269 3.591 ( -0.000 -10.124 8.746) 13.378 4.864 ( 0.000 -13.751 -0.726) 13.770 5.414 ( 0.000 2.215 -10.218) 10.455 5.667 ( 0.000 -1.852 -1.845) 2.614 6.116 ( -0.000 2.593 1.809) 3.161 6.614 ( -0.000 3.958 1.816) 4.355 7.970 ( 0.000 -1.603 -5.111) 5.356 8.312 ( 0.000 -4.965 -1.352) 5.146 9.064 ( -0.000 5.607 0.122) 5.608 11.464 ( -0.000 13.287 0.368) 13.293 12.951 ( -0.000 22.033 -1.626) 22.093 13.114 ( -0.000 10.895 7.449) 13.198 14.064 ( 0.000 -0.903 -0.235) 0.933 17.632 ( 0.000 -4.944 -8.299) 9.661 18.589 ( -0.000 -0.269 7.772) 7.776======================= Grid point 406 (158/344) =======================q-point: (-0.20 -0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.238 ( 8.117 -12.388 -3.283) 15.170 2.333 ( 9.260 -20.249 3.585) 22.553 3.347 ( -4.598 -10.939 2.675) 12.163 3.645 ( 13.031 -11.535 5.038) 18.117 4.733 ( 0.976 -15.453 0.712) 15.500 5.323 ( -2.563 -7.352 -10.011) 12.682 5.728 ( 2.207 10.473 -0.849) 10.737 6.101 ( -5.228 3.019 1.340) 6.184 6.599 ( -7.075 3.217 -2.753) 8.245 7.964 ( 1.997 -0.221 -2.022) 2.850 8.255 ( -0.269 -3.897 -0.492) 3.937 9.108 ( -1.045 4.892 1.225) 5.151 11.651 ( 4.887 12.642 -0.134) 13.555 13.066 ( -8.026 22.719 -2.039) 24.181 13.213 ( -5.518 12.495 8.428) 16.050 14.187 ( 13.038 -3.033 -0.216) 13.388 17.538 ( -1.040 -5.011 -9.580) 10.861 18.553 ( -6.941 1.463 9.203) 11.619======================= Grid point 407 (159/344) =======================q-point: (-0.13 -0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.226 ( 8.543 -15.041 -2.138) 17.430 2.376 ( 16.914 -23.183 -0.538) 28.703 3.206 ( 1.790 -11.436 1.632) 11.689 3.790 ( 15.570 -13.439 3.785) 20.913 4.601 ( 2.801 -17.175 0.156) 17.402 5.186 ( -2.459 -4.778 -5.311) 7.555 5.893 ( 3.637 10.772 -1.367) 11.451 6.034 ( -7.289 6.459 0.941) 9.785 6.433 ( -10.475 -0.382 -5.631) 11.898 8.002 ( 2.074 0.004 -0.261) 2.090 8.244 ( 1.408 -0.574 0.421) 1.578 9.126 ( -3.008 4.059 2.936) 5.843 11.796 ( -1.649 10.069 -0.563) 10.219 13.181 ( -2.773 15.325 -1.703) 15.666 13.214 ( -12.328 17.482 8.291) 22.942 14.328 ( 8.789 -8.038 0.058) 11.911 17.447 ( -0.687 -5.488 -7.550) 9.359 18.509 ( -5.051 8.255 6.602) 11.715======================= Grid point 421 (160/344) =======================q-point: (-0.20 -0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.003 ( 0.000 -15.615 -3.057) 15.912 2.073 ( 0.000 -22.180 1.259) 22.215 3.293 ( -0.000 -25.188 4.047) 25.511 3.376 ( -0.000 -6.712 0.996) 6.786 4.565 ( -0.000 -18.743 1.887) 18.838 5.244 ( 0.000 -6.580 -7.651) 10.091 5.816 ( -0.000 11.971 -0.418) 11.978 6.179 ( -0.000 2.650 1.451) 3.021 6.724 ( 0.000 9.107 -5.577) 10.679 7.943 ( 0.000 0.786 -0.527) 0.946 8.203 ( 0.000 -5.368 -0.407) 5.383 9.153 ( -0.000 3.054 0.506) 3.096 11.743 ( -0.000 14.993 -0.163) 14.993 13.332 ( 0.000 17.313 -1.693) 17.395 13.469 ( -0.000 20.546 8.157) 22.106 14.047 ( -0.000 -0.649 0.079) 0.654 17.445 ( 0.000 -7.469 -11.221) 13.480 18.645 ( -0.000 -0.860 12.087) 12.118======================= Grid point 422 (161/344) =======================q-point: (-0.13 -0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.898 ( 7.329 -25.475 -0.447) 26.512 1.931 ( 9.981 -17.048 -4.169) 20.190 3.021 ( 0.745 -25.448 1.357) 25.496 3.429 ( 12.090 -10.925 2.027) 16.420 4.377 ( 1.175 -22.221 0.590) 22.260 5.164 ( -1.268 -3.002 -3.515) 4.793 5.947 ( 1.784 10.424 0.461) 10.585 6.185 ( -2.549 4.370 2.057) 5.461 6.666 ( -14.449 8.885 -9.909) 19.644 7.972 ( 1.641 0.946 1.206) 2.246 8.191 ( 3.593 -2.418 0.373) 4.347 9.179 ( 0.150 1.491 1.125) 1.874 11.904 ( 1.250 13.257 -0.552) 13.327 13.421 ( -6.500 15.747 -0.665) 17.048 13.609 ( -9.197 20.990 7.318) 24.057 14.137 ( 8.148 -1.849 0.199) 8.358 17.342 ( 1.187 -8.167 -10.055) 13.008 18.651 ( -2.683 1.267 11.260) 11.644======================= Grid point 437 (162/344) =======================q-point: (-0.13 -0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.593 ( 0.000 -26.460 -3.282) 26.663 1.624 ( 0.000 -21.001 -4.533) 21.485 2.696 ( 0.000 -37.459 1.677) 37.496 3.248 ( -0.000 -6.958 1.088) 7.042 4.136 ( 0.000 -25.562 -0.112) 25.563 5.148 ( 0.000 -0.791 -1.178) 1.419 6.037 ( -0.000 9.417 2.718) 9.801 6.231 ( -0.000 1.926 0.676) 2.041 6.907 ( 0.000 17.814 -17.832) 25.206 7.986 ( -0.000 1.473 5.927) 6.107 8.108 ( -0.000 -4.459 0.795) 4.529 9.178 ( -0.000 -1.020 0.762) 1.273 12.024 ( -0.000 14.017 -0.798) 14.040 13.631 ( -0.000 14.066 0.184) 14.067 13.946 ( -0.000 22.976 5.851) 23.710 14.041 ( -0.000 -0.252 0.505) 0.565 17.208 ( 0.000 -8.987 -10.725) 13.992 18.706 ( -0.000 -2.128 14.220) 14.379======================= Grid point 486 (163/344) =======================q-point: ( 0.13 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 344Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.515 ( -0.000 0.000 25.007) 25.007 0.515 ( -0.000 0.000 25.007) 25.007 0.937 ( -0.000 0.000 46.100) 46.100 2.981 ( 0.000 -0.000 -2.953) 2.953 2.981 ( 0.000 -0.000 -2.953) 2.953 5.123 ( 0.000 -0.000 -6.102) 6.102 6.292 ( -0.000 0.000 0.178) 0.178 6.292 ( -0.000 0.000 0.178) 0.178 7.957 ( 0.000 -0.000 -1.574) 1.574 7.957 ( 0.000 -0.000 -1.574) 1.574 8.899 ( 0.000 -0.000 -2.989) 2.989 10.933 ( -0.000 0.000 1.990) 1.990 12.495 ( -0.000 0.000 1.033) 1.033 12.495 ( -0.000 0.000 1.033) 1.033 14.042 ( 0.000 -0.000 -0.285) 0.285 14.042 ( 0.000 -0.000 -0.285) 0.285 14.884 ( 0.000 -0.000 -0.729) 0.729 18.747 ( -0.000 0.000 0.019) 0.019======================= Grid point 487 (164/344) =======================q-point: ( 0.20 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.759 ( 15.910 9.185 16.078) 24.413 0.839 ( 10.801 6.236 24.639) 27.616 1.429 ( 30.268 17.475 27.962) 44.759 3.010 ( 3.165 1.828 -2.959) 4.703 3.138 ( 14.238 8.220 -2.711) 16.663 5.082 ( -1.069 -0.617 -7.277) 7.381 6.265 ( -1.400 -0.808 -1.761) 2.391 6.285 ( -0.678 -0.392 0.125) 0.793 7.546 ( -35.969 -20.767 5.486) 41.894 7.984 ( 2.340 1.351 -1.229) 2.968 8.912 ( -15.035 -8.680 14.976) 22.927 9.035 ( -20.529 -11.852 27.129) 36.026 12.428 ( -5.735 -3.311 0.717) 6.661 13.981 ( -4.079 -2.355 -2.930) 5.547 14.051 ( 0.428 0.247 0.035) 0.495 14.221 ( 10.262 5.925 -39.079) 40.836 15.848 ( 69.070 39.878 -30.755) 85.480 18.683 ( -1.184 -0.684 -2.225) 2.611======================= Grid point 488 (165/344) =======================q-point: ( 0.27 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.209 ( 19.316 11.152 9.001) 24.051 1.218 ( 17.496 10.101 17.117) 26.479 2.251 ( 34.453 19.892 15.369) 42.649 3.096 ( 5.137 2.966 -2.798) 6.559 3.543 ( 21.328 12.314 -2.074) 24.714 5.042 ( -0.063 -0.036 -7.802) 7.802 6.237 ( -0.176 -0.102 -2.633) 2.641 6.264 ( -1.097 -0.633 -0.103) 1.270 6.770 ( -31.107 -17.960 1.926) 35.971 8.049 ( 3.585 2.070 -0.601) 4.183 8.619 ( -10.893 -6.289 19.251) 22.996 9.078 ( 3.101 1.790 -2.835) 4.567 12.251 ( -9.917 -5.726 0.294) 11.455 13.804 ( -10.617 -6.129 -5.859) 13.587 14.053 ( -9.442 -5.451 -18.455) 21.435 14.060 ( 0.343 0.198 0.346) 0.526 16.756 ( 24.110 13.920 -5.684) 28.414 18.727 ( 5.741 3.315 -8.411) 10.710======================= Grid point 489 (166/344) =======================q-point: ( 0.33 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.652 ( 17.749 10.247 5.656) 21.261 1.714 ( 22.187 12.810 9.440) 27.303 3.013 ( 29.458 17.008 7.721) 34.880 3.212 ( 5.801 3.349 -2.577) 7.177 4.027 ( 21.510 12.419 -1.211) 24.867 5.037 ( 1.707 0.986 -5.502) 5.844 6.203 ( -19.446 -11.227 1.769) 22.524 6.237 ( -1.249 -0.721 -0.456) 1.512 6.250 ( 2.045 1.181 -4.167) 4.790 8.134 ( 3.939 2.274 0.191) 4.553 8.449 ( -9.621 -5.555 12.364) 16.622 9.078 ( -2.170 -1.253 -5.288) 5.851 12.000 ( -12.238 -7.066 -0.132) 14.132 13.471 ( -16.165 -9.333 -9.524) 20.955 13.773 ( -11.403 -6.584 -7.490) 15.149 14.068 ( 0.225 0.130 0.547) 0.606 17.115 ( 10.709 6.183 5.378) 13.485 18.828 ( 4.686 2.705 -7.714) 9.422======================= Grid point 490 (167/344) =======================q-point: ( 0.40 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.029 ( 14.425 8.328 3.779) 17.080 2.244 ( 22.694 13.102 4.421) 26.575 3.329 ( 5.283 3.050 -2.245) 6.500 3.585 ( 19.908 11.494 -0.655) 22.997 4.469 ( 17.699 10.218 1.104) 20.466 5.078 ( 2.560 1.478 -0.994) 3.118 5.919 ( -6.447 -3.722 3.710) 8.317 6.206 ( -1.324 -0.765 -0.794) 1.723 6.312 ( 4.208 2.430 -2.491) 5.460 8.221 ( 3.599 2.078 0.860) 4.244 8.267 ( -9.527 -5.500 9.114) 14.286 8.945 ( -7.697 -4.444 -7.024) 11.329 11.719 ( -12.473 -7.202 -0.424) 14.409 13.058 ( -17.539 -10.126 -8.084) 21.806 13.498 ( -11.330 -6.541 -3.672) 13.588 14.075 ( 0.220 0.127 0.589) 0.642 17.329 ( 7.300 4.214 6.087) 10.397 18.867 ( 0.609 0.352 -4.734) 4.786======================= Grid point 491 (168/344) =======================q-point: ( 0.47 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.317 ( 10.319 5.958 2.345) 12.144 2.743 ( 20.936 12.087 0.726) 24.185 3.429 ( 4.102 2.368 -1.627) 5.008 3.877 ( 7.588 4.381 -9.013) 12.571 4.811 ( 11.842 6.837 3.441) 14.100 5.150 ( 3.959 2.286 5.366) 7.049 5.905 ( 2.013 1.162 5.692) 6.148 6.173 ( -1.339 -0.773 -1.047) 1.868 6.412 ( 5.248 3.030 -3.011) 6.766 8.110 ( -6.305 -3.640 8.237) 10.993 8.298 ( 2.896 1.672 1.199) 3.553 8.702 ( -11.584 -6.688 -6.995) 15.094 11.454 ( -10.784 -6.226 -0.506) 12.462 12.659 ( -15.543 -8.974 -5.440) 18.754 13.255 ( -9.261 -5.347 -2.361) 10.952 14.083 ( 0.312 0.180 0.496) 0.613 17.491 ( 5.678 3.278 4.416) 7.905 18.832 ( -2.323 -1.341 -2.657) 3.776======================= Grid point 492 (169/344) =======================q-point: ( 0.53 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.503 ( 5.860 3.383 0.929) 6.830 3.177 ( 18.017 10.402 -2.742) 20.984 3.502 ( 2.784 1.607 -0.648) 3.279 3.885 ( -2.714 -1.567 -13.021) 13.393 5.015 ( 5.915 3.415 2.966) 7.447 5.292 ( 5.129 2.961 11.312) 12.769 5.956 ( 0.164 0.094 1.119) 1.135 6.141 ( -1.091 -0.630 -1.290) 1.803 6.516 ( 4.811 2.777 -3.682) 6.665 8.073 ( 0.754 0.435 8.821) 8.863 8.356 ( 1.926 1.112 1.288) 2.570 8.409 ( -12.217 -7.053 -3.100) 14.443 11.246 ( -7.389 -4.266 -0.438) 8.544 12.351 ( -10.279 -5.934 -2.899) 12.218 13.077 ( -5.909 -3.411 -1.946) 7.095 14.091 ( 0.295 0.170 0.335) 0.478 17.611 ( 3.824 2.208 2.882) 5.273 18.761 ( -3.021 -1.744 -1.819) 3.934======================= Grid point 493 (170/344) =======================q-point: ( 0.60 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.584 ( 1.366 0.789 -0.365) 1.619 3.499 ( 9.746 5.627 -9.602) 14.794 3.549 ( 1.463 0.845 0.431) 1.743 3.731 ( -4.396 -2.538 -9.610) 10.869 5.108 ( 1.537 0.887 2.376) 2.966 5.397 ( 0.070 0.041 11.174) 11.174 5.911 ( -2.870 -1.657 -4.907) 5.921 6.118 ( -0.485 -0.280 -1.585) 1.681 6.593 ( 2.951 1.704 -3.555) 4.924 8.082 ( -6.632 -3.829 -2.643) 8.102 8.279 ( 4.565 2.635 14.935) 15.838 8.390 ( 0.623 0.359 1.324) 1.506 11.132 ( -2.595 -1.498 -0.348) 3.017 12.201 ( -2.354 -1.359 -0.474) 2.759 12.981 ( -2.025 -1.169 -2.120) 3.156 14.096 ( 0.020 0.012 0.167) 0.169 17.677 ( 1.269 0.732 2.115) 2.573 18.698 ( -1.760 -1.016 -1.964) 2.826======================= Grid point 494 (171/344) =======================q-point: (-0.33 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.564 ( -2.872 -1.658 -1.107) 3.497 3.357 ( -12.027 -6.944 -14.525) 20.096 3.568 ( -0.075 -0.043 1.127) 1.130 3.824 ( 8.057 4.652 -6.133) 11.143 5.100 ( -2.646 -1.528 1.733) 3.513 5.365 ( -4.779 -2.759 6.598) 8.601 5.824 ( -3.435 -1.983 -4.729) 6.172 6.111 ( 0.374 0.216 -1.859) 1.908 6.623 ( 0.715 0.413 -2.537) 2.668 7.928 ( -5.151 -2.974 1.710) 6.189 8.391 ( -0.948 -0.547 1.358) 1.744 8.523 ( 10.492 6.058 13.637) 18.241 11.133 ( 2.832 1.635 -0.291) 3.283 12.250 ( 6.497 3.751 1.793) 7.714 12.974 ( 2.164 1.249 -2.678) 3.662 14.092 ( -0.394 -0.228 0.020) 0.456 17.678 ( -1.821 -1.051 2.219) 3.056 18.676 ( 0.491 0.284 -2.882) 2.938======================= Grid point 495 (172/344) =======================q-point: (-0.27 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.452 ( -6.800 -3.926 -1.006) 7.916 2.996 ( -15.999 -9.237 -11.532) 21.778 3.550 ( -1.945 -1.123 1.182) 2.538 3.904 ( 0.326 0.188 -8.485) 8.493 5.019 ( -4.821 -2.784 1.434) 5.749 5.271 ( -4.519 -2.609 5.324) 7.455 5.721 ( -4.382 -2.530 -2.776) 5.771 6.123 ( 1.283 0.740 -1.966) 2.461 6.614 ( -0.798 -0.461 -0.378) 0.996 7.875 ( -0.536 -0.309 3.151) 3.211 8.356 ( -2.520 -1.455 1.264) 3.173 8.795 ( 9.911 5.722 9.520) 14.886 11.252 ( 7.754 4.477 -0.208) 8.956 12.493 ( 14.107 8.144 3.624) 16.687 13.062 ( 6.565 3.790 -3.464) 8.335 14.079 ( -0.672 -0.388 -0.107) 0.784 17.612 ( -4.753 -2.744 3.161) 6.333 18.697 ( 2.327 1.344 -4.429) 5.181======================= Grid point 496 (173/344) =======================q-point: (-0.20 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.256 ( -10.595 -6.117 -0.034) 12.235 2.572 ( -19.052 -10.999 -7.889) 23.371 3.487 ( -3.924 -2.266 0.686) 4.583 3.754 ( -11.605 -6.700 -7.851) 15.531 4.875 ( -8.993 -5.192 -1.010) 10.433 5.212 ( -3.492 -2.016 9.681) 10.487 5.666 ( 2.085 1.204 -2.447) 3.433 6.154 ( 1.909 1.102 -1.783) 2.835 6.599 ( -0.552 -0.319 3.318) 3.379 7.906 ( 2.195 1.267 0.656) 2.619 8.289 ( -3.713 -2.144 0.851) 4.371 9.014 ( 7.300 4.215 5.120) 9.863 11.467 ( 11.228 6.483 0.007) 12.965 12.880 ( 18.527 10.697 4.678) 21.899 13.245 ( 11.048 6.378 -4.502) 13.528 14.063 ( -0.666 -0.385 -0.229) 0.803 17.494 ( -6.854 -3.957 5.025) 9.375 18.738 ( 2.614 1.509 -6.640) 7.294======================= Grid point 497 (174/344) =======================q-point: (-0.13 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.979 ( -14.431 -8.332 1.777) 16.758 2.096 ( -21.690 -12.523 -3.213) 25.251 3.337 ( -23.408 -13.515 -5.084) 27.503 3.381 ( -5.498 -3.174 -0.140) 6.350 4.582 ( -16.873 -9.742 -1.113) 19.516 5.169 ( -2.522 -1.456 6.975) 7.559 5.819 ( 10.509 6.068 -0.862) 12.166 6.193 ( 1.995 1.152 -1.294) 2.643 6.648 ( 4.256 2.457 9.446) 10.648 7.958 ( 2.544 1.469 -3.429) 4.515 8.201 ( -4.182 -2.415 0.078) 4.830 9.147 ( 3.524 2.034 1.577) 4.364 11.740 ( 12.756 7.365 0.381) 14.735 13.305 ( 16.898 9.756 3.533) 19.830 13.536 ( 16.853 9.730 -5.034) 20.101 14.050 ( -0.461 -0.266 -0.368) 0.647 17.350 ( -7.723 -4.459 7.985) 11.970 18.755 ( 0.977 0.564 -9.857) 9.921======================= Grid point 502 (175/344) =======================q-point: ( 0.20 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.937 ( -0.000 19.326 17.780) 26.261 0.952 ( -0.000 23.240 18.550) 29.735 1.403 ( -0.000 19.362 31.567) 37.032 2.986 ( 0.000 3.265 -3.821) 5.026 3.162 ( 0.000 19.277 -2.329) 19.417 5.062 ( 0.000 -0.544 -7.909) 7.928 6.233 ( 0.000 -5.348 -0.545) 5.376 6.285 ( -0.000 -0.882 0.128) 0.891 7.822 ( 0.000 -10.026 -4.475) 10.979 7.955 ( 0.000 1.671 -1.946) 2.566 8.917 ( -0.000 -20.766 13.111) 24.559 9.007 ( -0.000 -45.761 33.274) 56.579 12.452 ( -0.000 -5.736 1.323) 5.887 13.935 ( 0.000 1.502 -14.677) 14.754 14.032 ( 0.000 -0.261 -0.440) 0.512 14.159 ( 0.000 13.538 -26.393) 29.663 15.799 ( 0.000 85.529 -25.597) 89.277 18.605 ( 0.000 -11.949 0.026) 11.949======================= Grid point 503 (176/344) =======================q-point: ( 0.27 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.185 ( 4.154 17.305 17.069) 24.659 1.271 ( 5.340 22.408 15.055) 27.519 1.973 ( 26.070 22.969 16.084) 38.287 3.065 ( 4.732 5.869 -4.055) 8.561 3.438 ( 8.804 22.298 -0.378) 23.976 5.028 ( -0.732 1.061 -8.249) 8.349 6.185 ( 1.017 -5.332 -0.657) 5.467 6.267 ( -0.819 -1.531 -0.821) 1.921 7.267 ( -38.297 -12.449 2.179) 40.329 8.001 ( 3.024 1.191 -1.355) 3.521 8.628 ( 1.444 -26.170 23.891) 35.464 9.040 ( 3.407 4.077 -2.625) 5.926 12.338 ( -5.868 -7.045 0.927) 9.216 13.828 ( -4.664 -8.989 -9.994) 14.228 14.002 ( -2.241 -3.360 -6.265) 7.454 14.113 ( -2.214 -0.785 -10.606) 10.863 16.637 ( 17.260 45.487 -11.717) 50.043 18.553 ( 7.731 -7.894 -6.249) 12.694======================= Grid point 504 (177/344) =======================q-point: ( 0.33 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.556 ( 13.780 17.469 11.280) 24.945 1.646 ( 8.800 20.948 9.881) 24.777 2.671 ( 28.081 15.018 6.434) 32.488 3.217 ( 5.487 11.036 -3.452) 12.799 3.854 ( 15.283 19.508 1.567) 24.831 5.017 ( 0.298 2.946 -6.879) 7.489 6.156 ( 0.910 -6.574 0.893) 6.697 6.219 ( -1.149 -2.375 -3.931) 4.734 6.608 ( -28.951 -2.959 3.560) 29.319 8.071 ( 4.521 0.378 -0.248) 4.544 8.503 ( -2.014 -13.913 12.174) 18.596 9.085 ( -0.509 1.345 -4.698) 4.913 12.138 ( -10.191 -6.446 0.499) 12.069 13.550 ( -11.065 -12.745 -10.903) 20.094 13.813 ( -7.016 -10.624 -7.265) 14.659 14.098 ( -0.216 3.147 -0.698) 3.230 17.112 ( 5.739 19.916 4.945) 21.308 18.643 ( 11.596 -4.627 -10.484) 16.303======================= Grid point 505 (178/344) =======================q-point: ( 0.40 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.989 ( 9.336 19.782 5.101) 22.461 2.053 ( 17.717 15.331 7.000) 24.452 3.151 ( 16.549 2.363 -1.149) 16.756 3.481 ( 11.009 17.875 -3.473) 21.279 4.302 ( 16.251 15.008 3.942) 22.469 5.053 ( 1.972 3.771 -3.369) 5.427 6.011 ( -7.512 -6.062 1.320) 9.743 6.212 ( 2.093 -1.254 -2.430) 3.443 6.327 ( -8.012 3.038 3.933) 9.428 8.145 ( 4.235 -2.047 1.655) 4.986 8.365 ( -4.587 -8.052 6.485) 11.311 9.008 ( -6.011 -2.141 -6.536) 9.134 11.887 ( -12.897 -4.678 0.150) 13.720 13.168 ( -14.324 -14.162 -8.979) 22.053 13.557 ( -7.766 -11.679 -4.202) 14.641 14.136 ( -1.018 6.578 0.116) 6.658 17.331 ( 2.199 9.759 8.237) 12.959 18.733 ( 8.537 -6.692 -8.094) 13.534======================= Grid point 506 (179/344) =======================q-point: ( 0.47 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.300 ( 5.817 16.008 3.798) 17.450 2.532 ( 19.348 14.101 1.430) 23.983 3.347 ( 7.869 1.507 -2.246) 8.321 3.796 ( 8.461 12.492 -9.175) 17.658 4.692 ( 13.093 10.135 6.055) 17.629 5.126 ( 3.287 3.080 1.978) 4.920 5.924 ( -0.990 0.960 4.903) 5.094 6.188 ( -2.243 -1.468 0.143) 2.685 6.341 ( 3.908 1.269 0.143) 4.112 8.126 ( -1.617 -8.739 5.139) 10.267 8.307 ( 0.555 1.671 1.577) 2.364 8.810 ( -10.382 -4.903 -6.849) 13.370 11.633 ( -13.275 -1.654 -0.078) 13.378 12.758 ( -14.266 -14.750 -6.030) 21.388 13.314 ( -7.196 -9.472 -2.959) 12.258 14.188 ( -3.093 11.101 0.340) 11.529 17.458 ( 2.788 3.615 6.474) 7.922 18.741 ( 4.798 -9.845 -4.913) 12.003======================= Grid point 507 (180/344) =======================q-point: ( 0.53 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.518 ( 2.404 12.628 2.111) 13.027 2.961 ( 17.488 10.263 -2.868) 20.478 3.467 ( 5.011 3.256 -1.534) 6.170 3.913 ( -1.508 7.845 -13.127) 15.367 4.954 ( 7.276 5.023 4.725) 10.025 5.257 ( 6.408 2.793 9.672) 11.934 5.962 ( 0.304 1.217 2.302) 2.621 6.135 ( -1.420 -2.831 0.190) 3.173 6.431 ( 5.575 0.487 -1.450) 5.781 8.053 ( 0.717 -5.343 5.797) 7.916 8.361 ( 1.625 2.666 0.939) 3.260 8.544 ( -12.031 -5.754 -3.573) 13.807 11.426 ( -12.029 3.503 -0.161) 12.530 12.386 ( -10.259 -15.124 -3.350) 18.580 13.122 ( -5.633 -5.925 -2.472) 8.541 14.245 ( -6.005 15.689 0.424) 16.804 17.543 ( 4.279 -1.709 4.235) 6.258 18.685 ( 3.073 -11.708 -3.023) 12.477======================= Grid point 508 (181/344) =======================q-point: ( 0.60 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.636 ( -1.485 9.315 0.443) 9.443 3.265 ( 12.599 1.046 -6.441) 14.189 3.594 ( 4.724 8.876 -1.718) 10.200 3.839 ( -9.580 6.761 -12.326) 17.012 5.087 ( 3.445 1.720 3.593) 5.266 5.405 ( 3.642 -0.237 12.416) 12.941 5.929 ( -3.173 -1.687 -4.401) 5.682 6.091 ( -0.005 -3.623 -0.443) 3.650 6.515 ( 5.056 -0.902 -2.131) 5.561 8.091 ( 3.323 -1.683 3.842) 5.351 8.291 ( -6.535 -4.674 0.880) 8.083 8.435 ( 0.357 3.547 5.350) 6.429 11.303 ( -10.533 10.234 -0.213) 14.687 12.128 ( -1.580 -14.712 -0.910) 14.825 12.997 ( -3.232 -2.620 -2.526) 4.868 14.288 ( -9.089 18.858 0.446) 20.939 17.597 ( 5.147 -5.987 2.781) 8.371 18.613 ( 3.470 -11.914 -2.379) 12.635======================= Grid point 509 (182/344) =======================q-point: (-0.33 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.653 ( -5.193 6.101 -0.681) 8.040 3.334 ( 1.249 -5.433 -9.691) 11.180 3.682 ( -8.674 3.835 -6.857) 11.703 3.785 ( 3.368 14.155 -4.602) 15.261 5.125 ( -0.705 -0.788 2.857) 3.047 5.423 ( -2.919 -3.799 7.848) 9.194 5.837 ( -2.658 -2.467 -5.056) 6.222 6.063 ( 1.494 -4.237 -0.968) 4.596 6.564 ( 3.566 -2.654 -1.884) 4.828 8.020 ( -6.911 -1.364 1.279) 7.159 8.310 ( 6.148 -3.180 4.639) 8.333 8.530 ( 3.760 6.135 8.806) 11.372 11.265 ( -8.278 14.465 -0.305) 16.669 12.068 ( 9.486 -10.830 1.331) 14.458 12.947 ( 0.039 -0.173 -3.008) 3.013 14.304 ( -11.448 19.576 0.434) 22.682 17.617 ( 4.401 -8.261 2.371) 9.656 18.566 ( 5.274 -10.947 -2.694) 12.446======================= Grid point 510 (183/344) =======================q-point: (-0.27 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.580 ( -8.545 3.380 -0.839) 9.227 3.147 ( -12.860 -3.225 -11.870) 17.795 3.587 ( -3.912 0.056 -0.969) 4.031 3.922 ( -0.022 10.176 -7.766) 12.801 5.077 ( -3.931 -2.148 2.680) 5.220 5.330 ( -4.493 -3.474 3.196) 6.517 5.751 ( -3.218 -3.816 -1.260) 5.148 6.055 ( 3.126 -4.428 -1.289) 5.572 6.573 ( 2.164 -4.127 -0.741) 4.718 7.934 ( -3.989 1.239 3.920) 5.729 8.347 ( 1.234 -3.341 1.412) 3.831 8.734 ( 8.442 6.087 8.665) 13.543 11.306 ( -3.038 14.007 -0.215) 14.334 12.241 ( 17.928 -3.387 2.881) 18.471 12.977 ( 4.250 1.302 -3.770) 5.828 14.286 ( -12.296 17.721 0.402) 21.572 17.599 ( 1.796 -8.058 3.009) 8.787 18.563 ( 7.344 -9.444 -3.784) 12.548======================= Grid point 511 (184/344) =======================q-point: (-0.20 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.431 ( -11.850 1.466 0.005) 11.940 2.803 ( -20.054 -2.550 -9.161) 22.194 3.511 ( -3.388 -4.046 -0.506) 5.301 3.904 ( -8.802 5.892 -8.029) 13.292 4.967 ( -7.290 -3.714 0.900) 8.231 5.265 ( -2.087 -2.096 7.241) 7.822 5.662 ( -1.819 -1.738 -1.024) 2.716 6.074 ( 4.562 -4.161 -1.625) 6.385 6.559 ( 1.856 -5.356 1.487) 5.860 7.927 ( -1.206 2.932 3.038) 4.391 8.315 ( -1.594 -2.949 0.764) 3.438 8.950 ( 7.899 4.626 4.842) 10.356 11.436 ( 3.510 12.112 0.025) 12.610 12.595 ( 22.487 2.740 3.580) 22.935 13.091 ( 9.223 1.796 -4.865) 10.581 14.241 ( -11.349 14.027 0.341) 18.046 17.542 ( -1.894 -5.991 4.668) 7.827 18.597 ( 8.204 -7.674 -5.556) 12.533======================= Grid point 512 (185/344) =======================q-point: (-0.13 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.213 ( -15.468 0.369 1.691) 15.565 2.377 ( -24.017 -3.989 -4.923) 24.839 3.367 ( -6.949 -9.144 -1.604) 11.596 3.693 ( -18.406 4.532 -4.897) 19.579 4.746 ( -13.183 -7.119 -1.523) 15.060 5.222 ( -3.363 -4.007 9.751) 11.065 5.728 ( 7.396 6.547 -0.680) 9.901 6.117 ( 5.516 -3.190 -1.822) 6.627 6.560 ( 4.628 -6.499 5.029) 9.431 7.953 ( -0.097 2.868 0.168) 2.875 8.252 ( -3.168 -1.549 0.183) 3.531 9.107 ( 5.115 2.813 1.292) 5.979 11.649 ( 8.489 10.258 0.281) 13.317 13.037 ( 22.963 4.972 3.663) 23.779 13.290 ( 15.117 1.647 -6.698) 16.617 14.185 ( -8.966 9.723 0.205) 13.228 17.454 ( -5.362 -3.603 7.302) 9.750 18.639 ( 6.639 -5.394 -8.069) 11.759======================= Grid point 518 (186/344) =======================q-point: ( 0.27 0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.414 ( -0.000 19.124 11.272) 22.199 1.458 ( -0.000 16.091 19.741) 25.468 2.064 ( -0.000 32.469 9.590) 33.856 3.056 ( 0.000 6.472 -3.811) 7.511 3.622 ( -0.000 26.835 0.214) 26.836 5.029 ( 0.000 3.181 -7.711) 8.342 6.120 ( 0.000 -5.476 -0.339) 5.486 6.258 ( 0.000 -1.866 -0.189) 1.875 7.494 ( 0.000 -19.472 -7.356) 20.815 7.999 ( 0.000 4.053 -1.290) 4.253 8.364 ( -0.000 -25.445 27.478) 37.450 9.049 ( 0.000 5.413 -3.450) 6.419 12.293 ( 0.000 -11.264 0.871) 11.298 13.743 ( 0.000 -9.570 -12.933) 16.088 14.025 ( 0.000 -8.635 -10.659) 13.717 14.029 ( 0.000 0.209 -0.091) 0.228 16.954 ( 0.000 47.022 -6.396) 47.455 18.364 ( 0.000 -9.403 -6.651) 11.517======================= Grid point 519 (187/344) =======================q-point: ( 0.33 0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.622 ( 3.671 17.684 11.649) 21.492 1.767 ( 7.253 18.331 12.166) 23.166 2.514 ( 13.355 25.576 2.726) 28.982 3.179 ( 7.245 8.614 -3.864) 11.900 3.923 ( 4.901 25.444 2.310) 26.015 5.043 ( -0.739 6.044 -6.188) 8.682 6.081 ( 1.391 -5.125 0.488) 5.333 6.216 ( -2.211 -2.865 -1.174) 3.805 7.031 ( -24.494 -12.860 -0.966) 27.682 8.021 ( 0.772 1.513 0.355) 1.735 8.346 ( 6.818 -15.073 12.912) 20.986 9.090 ( 0.414 2.695 -4.235) 5.037 12.162 ( -2.342 -11.493 0.601) 11.745 13.541 ( -6.499 -11.939 -12.743) 18.632 13.797 ( -7.766 -12.929 -4.871) 15.849 14.091 ( 3.828 1.454 -0.974) 4.209 17.331 ( -0.574 27.238 6.847) 28.092 18.353 ( 9.957 -5.346 -12.195) 16.627======================= Grid point 520 (188/344) =======================q-point: ( 0.40 0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.968 ( 12.336 17.831 6.812) 22.727 2.106 ( 6.943 19.349 8.651) 22.304 2.932 ( 13.766 11.379 -2.537) 18.039 3.433 ( 11.645 13.077 -4.877) 18.177 4.280 ( 8.927 20.761 5.143) 23.177 5.083 ( -0.637 7.710 -3.700) 8.576 6.044 ( -1.908 -4.773 0.794) 5.201 6.147 ( 0.315 -3.515 -0.628) 3.584 6.596 ( -17.795 -2.336 4.212) 18.436 8.065 ( 3.350 -1.174 1.545) 3.872 8.317 ( 1.066 -9.528 4.424) 10.559 9.055 ( -3.860 -1.093 -6.045) 7.255 11.996 ( -6.060 -8.708 0.620) 10.628 13.226 ( -11.616 -12.770 -10.773) 20.348 13.521 ( -6.162 -15.601 -2.630) 16.979 14.183 ( 3.242 5.990 -0.412) 6.824 17.507 ( -4.626 13.876 11.477) 18.592 18.448 ( 11.275 -7.092 -11.673) 17.711======================= Grid point 521 (189/344) =======================q-point: ( 0.47 0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.371 ( 12.649 13.146 5.313) 19.001 2.437 ( 7.470 22.543 2.837) 23.918 3.187 ( 10.952 2.778 -4.036) 11.998 3.743 ( 10.733 13.584 -8.054) 19.094 4.638 ( 10.048 14.826 7.477) 19.409 5.137 ( -0.101 6.229 -0.881) 6.292 5.973 ( -2.110 -0.122 3.080) 3.736 6.156 ( 3.340 -4.596 2.110) 6.061 6.396 ( -8.167 1.076 4.603) 9.436 8.081 ( 0.102 -5.325 3.288) 6.259 8.276 ( 2.142 -2.663 -0.550) 3.462 8.901 ( -8.414 -4.301 -7.324) 11.956 11.799 ( -9.078 -5.385 0.703) 10.578 12.851 ( -14.530 -12.464 -7.709) 20.638 13.293 ( -3.913 -12.292 -1.901) 13.039 14.315 ( 2.420 11.700 -0.047) 11.948 17.551 ( -5.247 6.134 9.240) 12.269 18.484 ( 8.342 -13.055 -7.585) 17.249======================= Grid point 522 (190/344) =======================q-point: ( 0.53 0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.643 ( 3.075 14.367 5.701) 15.760 2.804 ( 12.137 15.475 -4.379) 20.148 3.364 ( 9.713 2.286 -3.348) 10.525 3.964 ( 3.803 12.413 -10.606) 16.764 4.922 ( 6.401 8.592 7.006) 12.802 5.212 ( 3.880 3.185 4.404) 6.678 5.986 ( -0.160 1.277 3.074) 3.333 6.142 ( -1.216 -4.300 4.132) 6.086 6.359 ( 1.292 -0.406 2.376) 2.735 8.019 ( -1.071 -4.053 2.616) 4.942 8.325 ( 4.171 -0.112 -0.842) 4.257 8.664 ( -10.539 -5.688 -5.839) 13.324 11.619 ( -7.925 -1.209 0.829) 8.059 12.459 ( -15.376 -11.727 -4.857) 19.938 13.137 ( -3.723 -5.695 -1.762) 7.029 14.484 ( -0.183 18.606 0.308) 18.609 17.524 ( -3.319 -1.494 6.041) 7.053 18.435 ( 6.756 -18.041 -4.510) 19.786======================= Grid point 523 (191/344) =======================q-point: ( 0.60 0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.795 ( -2.659 13.212 2.792) 13.763 3.074 ( 10.374 4.582 -6.537) 13.090 3.559 ( 8.614 8.597 -3.674) 12.713 4.037 ( -5.331 13.120 -10.679) 17.737 5.066 ( 2.760 3.168 4.926) 6.475 5.349 ( 6.457 -0.737 9.819) 11.775 5.957 ( -3.245 -2.339 -2.183) 4.557 6.082 ( -2.854 -3.074 3.220) 5.288 6.406 ( 4.755 -3.057 1.213) 5.782 8.028 ( 3.364 0.063 3.678) 4.984 8.349 ( -2.907 -3.059 -5.140) 6.650 8.466 ( -2.840 -1.791 3.095) 4.566 11.541 ( -4.087 5.937 0.886) 7.262 12.092 ( -12.703 -11.795 -2.401) 17.500 13.038 ( -4.370 0.192 -1.958) 4.792 14.654 ( -5.703 25.249 0.661) 25.893 17.464 ( 0.940 -9.205 3.647) 9.946 18.350 ( 7.314 -20.460 -2.965) 21.929======================= Grid point 524 (192/344) =======================q-point: ( 0.67 0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.830 ( -6.379 9.002 0.099) 11.033 3.212 ( 6.313 -0.023 -5.733) 8.527 3.748 ( 2.543 9.913 -8.012) 12.998 4.005 ( -9.224 15.757 -6.862) 19.505 5.126 ( 1.006 -0.441 4.198) 4.339 5.426 ( 1.440 -5.120 9.365) 10.770 5.844 ( -4.041 -2.935 -6.774) 8.417 6.014 ( -1.577 -4.528 2.631) 5.470 6.452 ( 4.749 -5.052 0.781) 6.977 8.102 ( -0.960 0.854 2.323) 2.655 8.230 ( 0.044 -1.921 0.275) 1.941 8.517 ( 4.538 0.831 4.762) 6.631 11.589 ( -6.262 17.100 -0.410) 18.215 11.830 ( 0.175 -14.785 0.934) 14.815 12.979 ( -4.002 3.616 -2.431) 5.916 14.765 ( -12.883 28.414 0.920) 31.211 17.417 ( 5.954 -13.859 2.467) 15.284 18.279 ( 9.234 -20.574 -2.591) 22.699======================= Grid point 525 (193/344) =======================q-point: (-0.27 0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.769 ( -8.528 4.965 -0.696) 9.893 3.245 ( -1.963 2.441 -6.053) 6.815 3.704 ( -9.856 3.796 -8.018) 13.260 4.058 ( -3.207 16.780 -5.766) 18.030 5.117 ( -1.882 -2.364 3.851) 4.895 5.371 ( -3.267 -5.064 4.159) 7.322 5.744 ( -2.003 -4.126 -3.946) 6.050 5.968 ( 0.752 -5.380 2.721) 6.076 6.470 ( 3.781 -6.460 1.000) 7.552 8.039 ( -5.049 1.629 2.481) 5.857 8.284 ( 3.370 -1.482 1.261) 3.892 8.658 ( 8.508 2.172 4.761) 9.989 11.543 ( -8.839 7.038 -0.946) 11.338 11.941 ( 15.307 2.413 2.795) 15.746 12.959 ( -1.818 4.293 -3.039) 5.565 14.768 ( -18.222 25.470 0.966) 31.332 17.418 ( 8.342 -12.579 2.585) 15.313 18.252 ( 11.637 -18.938 -3.059) 22.437======================= Grid point 526 (194/344) =======================q-point: (-0.20 0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.643 ( -10.516 2.493 0.028) 10.807 3.123 ( -16.452 7.408 -6.966) 19.341 3.538 ( -6.414 -3.629 -3.673) 8.234 4.103 ( -7.057 13.110 -7.356) 16.606 5.046 ( -5.086 -3.437 3.164) 6.906 5.297 ( -1.996 -2.686 5.073) 6.077 5.663 ( -1.477 -3.353 -1.731) 4.052 5.953 ( 2.847 -5.492 1.906) 6.473 6.463 ( 2.812 -7.333 1.944) 8.091 8.006 ( -3.065 3.372 2.759) 5.327 8.295 ( 0.501 -2.594 0.249) 2.654 8.850 ( 9.702 2.187 2.206) 10.187 11.517 ( -0.325 4.501 0.158) 4.515 12.301 ( 18.710 9.517 2.006) 21.087 12.984 ( 2.313 2.371 -3.696) 4.963 14.663 ( -19.131 17.846 0.779) 26.174 17.458 ( 5.993 -7.212 3.899) 10.155 18.285 ( 13.535 -15.352 -4.156) 20.884======================= Grid point 527 (195/344) =======================q-point: (-0.13 0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.465 ( -13.050 1.034 1.371) 13.163 2.804 ( -26.266 6.621 -4.481) 27.456 3.391 ( -5.057 -6.207 -2.365) 8.348 4.014 ( -13.885 9.458 -6.399) 17.978 4.882 ( -10.355 -5.291 0.392) 11.635 5.260 ( -2.408 -5.079 9.554) 11.085 5.685 ( 4.907 5.780 -0.857) 7.630 5.969 ( 5.000 -5.519 0.617) 7.473 6.442 ( 2.654 -7.884 3.493) 9.022 8.005 ( -1.983 2.973 1.170) 3.761 8.268 ( -0.837 -1.658 -0.279) 1.879 9.020 ( 8.027 0.986 -0.827) 8.129 11.616 ( 6.118 4.829 0.545) 7.813 12.741 ( 21.101 10.351 0.953) 23.522 13.061 ( 8.069 -1.446 -4.597) 9.399 14.497 ( -16.167 9.679 0.426) 18.848 17.485 ( 0.719 -3.151 5.892) 6.720 18.378 ( 13.285 -8.949 -5.507) 16.938======================= Grid point 534 (196/344) =======================q-point: ( 0.33 0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.812 ( -0.000 15.844 6.506) 17.128 1.861 ( -0.000 14.104 14.503) 20.230 2.703 ( -0.000 29.184 -1.334) 29.214 3.178 ( 0.000 8.172 -3.128) 8.750 4.140 ( -0.000 24.679 2.223) 24.779 5.111 ( 0.000 10.020 -4.587) 11.020 6.020 ( -0.000 -5.516 1.486) 5.712 6.210 ( 0.000 -2.855 -0.588) 2.915 7.047 ( 0.000 -19.650 -7.245) 20.943 8.095 ( -0.000 6.105 0.017) 6.105 8.170 ( -0.000 -11.099 14.984) 18.647 9.096 ( 0.000 1.777 -4.095) 4.464 12.039 ( 0.000 -14.876 0.040) 14.876 13.437 ( 0.000 -12.501 -12.836) 17.917 13.738 ( 0.000 -15.833 -3.571) 16.231 14.039 ( -0.000 0.648 0.422) 0.773 17.615 ( -0.000 18.615 14.023) 23.306 18.198 ( 0.000 1.747 -16.352) 16.445======================= Grid point 535 (197/344) =======================q-point: ( 0.40 0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.011 ( 5.266 16.273 5.933) 18.103 2.138 ( 9.912 12.859 9.726) 18.926 2.954 ( 1.216 19.684 -4.519) 20.233 3.340 ( 9.865 10.181 -3.562) 14.617 4.403 ( 3.438 21.290 3.655) 21.873 5.197 ( -1.904 12.813 -2.765) 13.245 5.985 ( 1.805 -6.318 2.705) 7.105 6.148 ( -3.097 -3.366 -0.275) 4.582 6.773 ( -8.776 -11.675 -2.768) 14.865 8.059 ( -2.584 -0.164 5.229) 5.835 8.224 ( 3.256 -2.651 3.348) 5.370 9.075 ( -1.981 -1.091 -5.244) 5.711 11.914 ( 1.851 -13.829 0.019) 13.953 13.216 ( -6.420 -13.189 -12.067) 18.994 13.476 ( -7.937 -17.321 -0.601) 19.062 14.132 ( 7.531 2.856 -0.019) 8.054 17.750 ( -3.670 6.879 15.878) 17.689 18.236 ( 4.273 4.330 -15.238) 16.408======================= Grid point 536 (198/344) =======================q-point: ( 0.47 0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.318 ( 10.101 14.696 3.789) 18.230 2.492 ( 12.912 14.985 6.794) 20.915 3.098 ( 2.193 9.029 -5.786) 10.946 3.634 ( 13.177 10.821 -5.432) 17.895 4.682 ( 5.872 16.571 5.342) 18.374 5.261 ( -4.316 11.919 -1.531) 12.769 5.970 ( 2.210 -5.753 2.959) 6.836 6.083 ( -0.389 -3.001 3.942) 4.969 6.557 ( -8.171 -3.652 1.780) 9.125 8.052 ( 0.030 -1.604 3.447) 3.802 8.230 ( 0.035 -0.496 -0.743) 0.894 8.958 ( -6.315 -4.383 -7.231) 10.554 11.814 ( -0.963 -10.077 0.496) 10.135 12.903 ( -9.830 -14.328 -10.084) 20.090 13.219 ( -3.589 -13.624 0.858) 14.115 14.323 ( 8.544 8.565 -0.215) 12.100 17.757 ( -6.339 2.822 11.841) 13.724 18.251 ( 1.902 -4.512 -9.808) 10.963======================= Grid point 537 (199/344) =======================q-point: ( 0.53 0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.625 ( 10.327 10.211 3.314) 14.896 2.876 ( 8.022 20.765 2.113) 22.361 3.195 ( 7.491 1.307 -5.731) 9.521 3.924 ( 10.985 10.499 -6.578) 16.558 4.939 ( 5.935 10.924 6.200) 13.892 5.273 ( -4.707 7.687 0.019) 9.014 5.969 ( 2.661 -6.122 3.629) 7.598 6.102 ( 2.066 -1.346 7.150) 7.564 6.425 ( -6.220 -0.717 2.887) 6.895 8.029 ( -1.854 -0.713 0.813) 2.146 8.248 ( 2.823 0.124 -1.465) 3.183 8.747 ( -8.954 -6.263 -7.475) 13.239 11.683 ( -4.526 -6.648 1.186) 8.129 12.562 ( -11.388 -13.195 -7.325) 18.906 13.111 ( 0.855 -5.148 0.658) 5.260 14.582 ( 8.336 15.698 -0.043) 17.774 17.667 ( -9.728 -0.499 8.064) 12.645 18.153 ( 1.785 -15.502 -6.096) 16.753======================= Grid point 538 (200/344) =======================q-point: ( 0.60 0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.880 ( 8.519 7.391 3.347) 11.764 3.055 ( -3.493 10.994 -4.532) 12.394 3.436 ( 15.352 9.520 -3.496) 18.399 4.146 ( 4.655 12.266 -7.234) 14.982 5.104 ( 0.931 5.760 5.263) 7.858 5.285 ( 1.319 1.114 3.940) 4.302 5.941 ( 0.473 -7.817 2.701) 8.284 6.130 ( -1.680 -0.068 4.933) 5.212 6.351 ( -1.892 -2.205 2.886) 4.095 8.019 ( 0.203 2.778 0.550) 2.839 8.292 ( 3.074 -2.053 -2.739) 4.601 8.525 ( -7.216 -5.054 -3.553) 9.499 11.582 ( -1.614 -2.891 2.110) 3.926 12.221 ( -12.764 -10.552 -5.190) 17.356 13.118 ( -0.863 4.550 0.002) 4.631 14.897 ( 5.971 23.525 0.401) 24.274 17.479 ( -10.698 -6.620 4.872) 13.491 18.000 ( 5.297 -23.557 -3.752) 24.434======================= Grid point 539 (201/344) =======================q-point: ( 0.67 0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.015 ( -5.915 6.578 0.416) 8.856 3.095 ( 7.428 3.042 -2.996) 8.567 3.756 ( 8.643 14.761 -6.152) 18.178 4.260 ( -4.027 15.179 -7.072) 17.223 5.135 ( -1.297 0.412 4.632) 4.828 5.343 ( 4.283 -5.451 6.822) 9.726 5.853 ( -2.736 -6.108 -2.252) 7.062 6.063 ( -6.042 -1.400 3.226) 6.991 6.335 ( 2.709 -5.353 2.758) 6.603 8.098 ( 3.514 4.619 2.387) 6.276 8.244 ( -3.026 -3.434 -4.349) 6.314 8.450 ( 2.487 -2.249 1.602) 3.716 11.602 ( 4.491 -0.821 3.388) 5.685 11.916 ( -11.454 -5.202 -4.292) 13.292 13.143 ( -5.699 11.425 -0.607) 12.782 15.203 ( -2.481 30.362 0.976) 30.479 17.250 ( -4.314 -14.298 2.683) 15.173 17.869 ( 9.806 -26.865 -2.591) 28.716======================= Grid point 540 (202/344) =======================q-point: (-0.27 0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.940 ( -7.395 3.134 -1.152) 8.114 3.230 ( 4.870 3.419 -1.309) 6.092 3.902 ( -5.935 12.381 -9.688) 16.804 4.295 ( -6.370 17.237 -5.159) 19.087 5.120 ( -0.529 -3.403 4.902) 5.991 5.342 ( 1.231 -8.108 5.708) 9.992 5.735 ( -3.332 -3.482 -6.683) 8.239 5.966 ( -3.980 -3.359 6.309) 8.181 6.341 ( 3.898 -6.983 2.302) 8.322 8.136 ( -3.782 1.335 0.664) 4.066 8.229 ( 3.177 1.172 0.566) 3.433 8.526 ( 8.065 -1.643 0.934) 8.283 11.599 ( -2.547 -9.808 2.135) 10.356 11.860 ( 5.985 10.119 -1.967) 11.920 13.137 ( -9.084 13.385 -0.988) 16.207 15.345 ( -16.912 29.020 1.304) 33.614 17.138 ( 8.096 -14.526 1.953) 16.744 17.803 ( 14.100 -26.104 -2.430) 29.768======================= Grid point 541 (203/344) =======================q-point: (-0.20 0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.828 ( -8.863 2.128 0.355) 9.122 3.310 ( 0.692 4.393 -1.888) 4.831 3.737 ( -18.729 5.857 -8.553) 21.407 4.340 ( -6.794 15.746 -6.114) 18.206 5.080 ( -1.832 -4.747 5.027) 7.153 5.294 ( 0.028 -6.083 4.494) 7.563 5.647 ( -1.383 -1.497 -4.922) 5.327 5.911 ( -1.376 -3.619 7.310) 8.272 6.343 ( 3.607 -7.252 2.245) 8.405 8.100 ( -3.379 2.889 1.467) 4.681 8.261 ( 0.992 -1.423 0.068) 1.736 8.682 ( 11.056 -0.626 -1.089) 11.127 11.497 ( 0.343 -5.481 1.229) 5.628 12.139 ( 14.480 9.593 -1.363) 17.423 13.095 ( -9.017 10.206 -0.962) 13.653 15.207 ( -24.841 16.708 0.975) 29.953 17.244 ( 12.848 -5.075 2.879) 14.111 17.832 ( 17.879 -20.523 -2.943) 27.378======================= Grid point 542 (204/344) =======================q-point: (-0.13 0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.685 ( -10.953 1.744 2.090) 11.287 3.298 ( -16.723 11.953 -2.406) 20.696 3.406 ( -10.767 -6.435 -5.242) 13.595 4.300 ( -11.043 10.954 -6.826) 16.986 4.981 ( -6.290 -5.158 3.301) 8.778 5.258 ( -0.240 -5.986 6.356) 8.735 5.665 ( 3.529 5.647 -1.213) 6.769 5.891 ( 0.175 -3.488 6.299) 7.203 6.338 ( 2.774 -6.232 2.480) 7.259 8.072 ( -3.064 1.054 0.562) 3.289 8.259 ( 0.280 -0.389 -0.195) 0.517 8.850 ( 10.672 -1.566 -3.834) 11.448 11.523 ( 5.980 -1.526 1.142) 6.277 12.489 ( 18.823 5.332 -3.428) 19.862 13.041 ( -4.870 4.672 -0.156) 6.751 14.903 ( -22.974 5.675 0.381) 23.667 17.406 ( 7.432 -2.041 4.218) 8.786 18.001 ( 19.688 -7.602 -3.307) 21.362======================= Grid point 550 (205/344) =======================q-point: ( 0.40 0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.115 ( -0.000 12.233 3.533) 12.733 2.201 ( -0.000 12.895 9.673) 16.120 3.142 ( 0.000 18.432 -5.927) 19.361 3.319 ( 0.000 7.911 -2.389) 8.264 4.583 ( -0.000 19.148 3.205) 19.414 5.352 ( 0.000 16.275 -1.891) 16.384 5.907 ( -0.000 -8.874 5.078) 10.224 6.146 ( 0.000 -3.171 -0.512) 3.212 6.687 ( 0.000 -12.242 -6.569) 13.893 8.102 ( -0.000 -3.981 8.174) 9.092 8.224 ( -0.000 6.567 0.829) 6.619 9.063 ( 0.000 -2.058 -4.957) 5.367 11.737 ( 0.000 -15.589 -0.505) 15.598 13.102 ( 0.000 -13.815 -11.590) 18.033 13.391 ( 0.000 -17.772 0.360) 17.775 14.058 ( -0.000 0.816 0.670) 1.056 17.828 ( -0.000 -2.279 10.201) 10.453 18.281 ( 0.000 13.164 -8.398) 15.615======================= Grid point 551 (206/344) =======================q-point: ( 0.47 0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.325 ( 8.554 13.127 2.131) 15.812 2.412 ( 8.391 9.872 8.172) 15.318 3.215 ( -4.065 11.180 -5.024) 12.914 3.502 ( 10.953 8.292 -3.570) 14.194 4.786 ( 2.390 15.967 3.323) 16.484 5.472 ( -4.368 15.829 -1.665) 16.505 5.852 ( 2.555 -10.965 6.806) 13.156 6.099 ( -1.434 -1.776 1.361) 2.658 6.567 ( -0.696 -6.898 -4.178) 8.095 8.081 ( -1.943 -0.209 5.040) 5.405 8.270 ( -1.975 4.533 0.235) 4.950 8.982 ( -4.207 -4.282 -6.451) 8.812 11.648 ( 5.886 -12.946 -0.282) 14.224 12.860 ( -7.325 -16.047 -10.279) 20.416 13.168 ( -5.181 -14.023 1.999) 15.082 14.194 ( 12.463 3.331 0.188) 12.902 17.818 ( -0.793 -3.680 5.024) 6.278 18.322 ( -6.511 7.784 -2.627) 10.483======================= Grid point 552 (207/344) =======================q-point: ( 0.53 0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.590 ( 7.283 11.021 3.423) 13.647 2.765 ( 19.637 9.503 3.344) 22.070 3.223 ( -4.065 7.794 -4.025) 9.668 3.775 ( 13.846 6.888 -3.584) 15.874 4.982 ( 3.423 11.411 3.171) 12.328 5.488 ( -8.600 11.496 -1.653) 14.452 5.824 ( 4.467 -12.057 7.608) 14.939 6.108 ( 1.167 1.577 4.977) 5.350 6.488 ( -2.300 -3.264 -1.628) 4.312 8.069 ( -1.893 1.963 1.530) 3.127 8.262 ( -2.691 3.180 -0.197) 4.170 8.799 ( -7.871 -6.394 -7.914) 12.863 11.638 ( 3.140 -7.637 0.416) 8.268 12.530 ( -7.350 -17.338 -7.795) 20.381 13.028 ( 1.064 -7.440 2.092) 7.801 14.502 ( 16.129 9.754 -0.185) 18.850 17.749 ( -3.027 -7.243 2.834) 8.346 18.183 ( -13.800 0.199 -0.638) 13.817======================= Grid point 553 (208/344) =======================q-point: ( 0.60 0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.814 ( 7.653 7.262 2.803) 10.916 3.168 ( 7.424 0.164 -5.466) 9.220 3.259 ( 9.126 16.823 2.708) 19.329 4.064 ( 13.450 7.205 -3.105) 15.571 5.131 ( 2.948 5.906 2.904) 7.211 5.415 ( -9.504 6.407 -0.539) 11.475 5.810 ( 4.442 -11.804 7.156) 14.501 6.163 ( 0.359 1.633 4.547) 4.845 6.408 ( -4.120 -1.891 0.179) 4.537 8.068 ( -1.548 4.535 -0.956) 4.886 8.250 ( -0.880 0.470 -0.796) 1.276 8.577 ( -7.484 -6.099 -5.983) 11.359 11.594 ( -1.849 -2.612 1.740) 3.642 12.236 ( -6.676 -15.368 -6.057) 17.817 13.085 ( 8.192 0.567 1.481) 8.344 14.910 ( 16.494 17.729 -0.108) 24.216 17.594 ( -5.207 -11.912 2.121) 13.173 17.876 ( -17.025 -8.434 -0.656) 19.011======================= Grid point 554 (209/344) =======================q-point: ( 0.67 0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.002 ( 7.316 4.276 0.789) 8.511 3.142 ( -3.935 2.047 -2.204) 4.953 3.685 ( 15.741 15.358 -1.073) 22.018 4.327 ( 8.832 9.541 -3.314) 13.417 5.201 ( -0.611 1.248 2.698) 3.035 5.306 ( -6.083 -0.522 1.363) 6.256 5.781 ( 2.101 -9.992 4.473) 11.147 6.156 ( -3.480 0.120 1.061) 3.641 6.314 ( -4.130 -3.070 1.563) 5.378 8.116 ( 1.247 6.507 -0.206) 6.629 8.220 ( -0.727 -2.710 -3.017) 4.120 8.429 ( -2.798 -3.515 -1.038) 4.611 11.579 ( 0.186 1.561 3.452) 3.793 11.964 ( -7.164 -12.229 -5.212) 15.101 13.267 ( 5.826 8.724 0.531) 10.504 15.384 ( 14.032 25.781 0.326) 29.354 17.347 ( -14.360 -10.019 2.977) 17.761 17.504 ( -4.483 -23.624 -2.458) 24.171======================= Grid point 555 (210/344) =======================q-point: ( 0.73 0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.068 ( -5.020 2.411 -1.643) 5.807 3.159 ( 5.953 1.815 0.555) 6.248 4.021 ( 6.137 15.014 -4.244) 16.766 4.502 ( 0.174 13.034 -4.123) 13.671 5.138 ( -4.995 -2.929 3.790) 6.920 5.244 ( 1.340 -7.687 2.997) 8.359 5.715 ( -0.914 -6.282 -1.155) 6.453 6.064 ( -6.869 -0.435 2.362) 7.276 6.246 ( 0.403 -5.342 1.894) 5.682 8.179 ( -0.618 -0.476 -2.124) 2.263 8.216 ( 1.980 5.312 1.558) 5.880 8.395 ( 3.315 -3.634 -0.597) 4.955 11.597 ( -3.899 -2.685 4.931) 6.836 11.803 ( 3.538 -2.005 -5.435) 6.787 13.402 ( -3.281 12.631 0.045) 13.050 15.814 ( -0.004 30.741 1.053) 30.759 16.991 ( -9.554 -12.281 1.381) 15.621 17.304 ( 10.462 -28.716 -1.830) 30.617======================= Grid point 556 (211/344) =======================q-point: (-0.20 0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.986 ( -7.176 2.419 1.158) 7.661 3.263 ( 5.181 0.235 -1.914) 5.528 4.084 ( -12.442 10.886 -6.627) 17.811 4.575 ( -5.058 14.196 -4.398) 15.699 5.055 ( -0.871 -7.266 6.083) 9.516 5.206 ( 2.767 -8.130 2.660) 8.990 5.644 ( -1.070 -1.181 -4.593) 4.862 5.973 ( -4.992 -0.551 7.638) 9.141 6.228 ( 3.013 -5.566 1.183) 6.439 8.174 ( -1.584 2.491 -0.008) 2.952 8.246 ( -0.606 -0.486 0.905) 1.193 8.483 ( 9.740 -1.679 -2.745) 10.257 11.478 ( -3.782 -4.336 2.477) 6.264 11.962 ( 12.302 3.283 -3.123) 13.110 13.385 ( -11.044 8.871 0.142) 14.166 15.801 ( -26.929 13.421 1.065) 30.107 16.996 ( 13.790 1.699 1.583) 13.984 17.292 ( 19.657 -22.122 -1.951) 29.658======================= Grid point 557 (212/344) =======================q-point: (-0.13 0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.880 ( -9.035 2.105 3.151) 9.797 3.318 ( 2.938 -1.583 -3.726) 5.002 3.823 ( -23.846 6.516 -4.538) 25.133 4.548 ( -9.707 7.983 -5.873) 13.872 5.000 ( -0.665 -6.566 6.163) 9.030 5.198 ( 2.273 -4.970 2.306) 5.932 5.661 ( 2.911 4.867 -1.434) 5.849 5.930 ( -3.431 -0.211 9.521) 10.122 6.245 ( 3.600 -3.222 0.868) 4.909 8.127 ( -4.076 -1.820 -0.271) 4.472 8.259 ( 0.797 2.293 0.843) 2.570 8.625 ( 10.869 -3.044 -5.665) 12.629 11.446 ( 1.810 -0.394 2.099) 2.800 12.203 ( 15.467 -0.630 -4.380) 16.088 13.232 ( -11.619 1.079 0.849) 11.700 15.366 ( -28.507 -0.936 0.360) 28.525 17.228 ( 11.888 -3.975 1.999) 12.693 17.590 ( 24.501 4.604 -1.266) 24.962======================= Grid point 566 (213/344) =======================q-point: ( 0.47 0.47 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.336 ( -0.000 8.700 2.087) 8.947 2.492 ( -0.000 11.246 8.069) 13.841 3.353 ( 0.000 8.067 -5.166) 9.579 3.444 ( 0.000 6.331 -1.857) 6.598 4.924 ( -0.000 14.116 2.095) 14.270 5.667 ( -0.000 15.351 -1.248) 15.401 5.739 ( -0.000 -12.124 8.389) 14.743 6.088 ( 0.000 -2.565 0.153) 2.569 6.489 ( 0.000 -4.646 -5.046) 6.859 8.118 ( -0.000 1.211 3.760) 3.951 8.344 ( -0.000 5.063 0.539) 5.092 8.961 ( 0.000 -4.261 -6.235) 7.552 11.450 ( 0.000 -13.285 -0.450) 13.293 12.750 ( 0.000 -14.800 -9.605) 17.644 13.096 ( -0.000 -13.196 2.672) 13.463 14.077 ( -0.000 0.757 0.568) 0.946 17.812 ( -0.000 -1.420 0.678) 1.573 18.460 ( -0.000 6.344 1.777) 6.589======================= Grid point 567 (214/344) =======================q-point: ( 0.53 0.47 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.533 ( 12.705 7.525 0.579) 14.777 2.649 ( 3.550 8.989 8.262) 12.715 3.350 ( -3.666 6.046 -2.580) 7.527 3.606 ( 10.747 4.552 -2.222) 11.881 5.061 ( 1.076 10.704 1.020) 10.806 5.652 ( 1.386 -12.563 9.835) 16.015 5.748 ( -6.056 11.049 -2.740) 12.895 6.098 ( 2.877 0.261 2.094) 3.568 6.451 ( 0.736 -2.527 -3.527) 4.401 8.132 ( -1.564 2.939 1.686) 3.732 8.359 ( -3.339 3.929 0.300) 5.165 8.839 ( -6.310 -5.142 -7.409) 11.007 11.428 ( 10.070 -9.291 -0.176) 13.702 12.489 ( -9.445 -15.065 -7.370) 19.249 12.965 ( -1.747 -8.779 2.803) 9.380 14.257 ( 17.828 2.946 0.087) 18.070 17.765 ( -4.273 -2.440 -0.826) 4.990 18.427 ( -10.205 2.616 2.927) 10.934======================= Grid point 568 (215/344) =======================q-point: ( 0.60 0.47 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.787 ( 5.839 6.446 3.038) 9.213 2.906 ( 17.834 4.430 1.473) 18.435 3.362 ( -1.236 7.472 1.129) 7.657 3.858 ( 15.152 3.482 -1.189) 15.592 5.165 ( 1.011 6.368 0.098) 6.449 5.585 ( -1.242 -8.368 6.148) 10.458 5.709 ( -4.892 3.079 0.766) 5.830 6.168 ( 2.391 1.069 2.084) 3.347 6.425 ( -0.822 -1.341 -1.721) 2.332 8.141 ( -1.680 4.503 -0.517) 4.834 8.320 ( -4.835 2.122 -0.252) 5.286 8.632 ( -8.390 -4.908 -6.421) 11.650 11.545 ( 8.099 -2.079 0.750) 8.395 12.164 ( -7.737 -15.104 -5.566) 17.860 12.936 ( 5.817 -3.989 2.373) 7.442 14.680 ( 25.078 8.164 -0.337) 26.375 17.602 ( -9.331 -6.943 -1.395) 11.714 18.192 ( -19.782 -0.773 2.871) 20.004======================= Grid point 569 (216/344) =======================q-point: ( 0.67 0.47 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.934 ( 5.785 2.774 2.401) 6.851 3.146 ( 5.204 1.464 -3.259) 6.312 3.555 ( 13.583 10.527 5.283) 17.978 4.160 ( 16.386 3.830 -0.118) 16.828 5.213 ( -0.132 2.026 -0.653) 2.133 5.469 ( -8.028 -1.924 0.288) 8.261 5.671 ( 0.369 -5.338 5.367) 7.578 6.185 ( -0.553 -1.206 -1.020) 1.674 6.374 ( -4.106 -0.862 -0.498) 4.225 8.170 ( -0.155 5.689 -1.342) 5.847 8.237 ( -4.508 -0.832 -2.382) 5.166 8.464 ( -5.667 -2.218 -1.120) 6.188 11.628 ( 0.155 4.844 2.486) 5.447 11.911 ( -4.315 -14.051 -4.627) 15.410 13.114 ( 15.430 0.809 1.210) 15.498 15.228 ( 27.225 13.760 -0.459) 30.508 17.323 ( -11.101 -12.674 -1.485) 16.913 17.783 ( -26.909 -3.488 2.308) 27.232======================= Grid point 570 (217/344) =======================q-point: ( 0.73 0.47 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.053 ( 6.214 -0.004 0.078) 6.215 3.166 ( -2.504 2.550 -0.401) 3.596 3.940 ( 16.498 8.807 3.309) 18.992 4.460 ( 13.504 5.163 0.247) 14.460 5.191 ( -1.965 -2.152 -1.499) 3.277 5.285 ( -11.273 -1.960 -0.924) 11.480 5.646 ( 1.363 -6.330 4.429) 7.845 6.136 ( -2.033 -1.681 -3.324) 4.243 6.264 ( -6.456 -2.135 -0.097) 6.800 8.173 ( -0.711 -0.288 -1.434) 1.627 8.242 ( 2.240 5.692 -0.793) 6.168 8.370 ( -4.010 -1.911 1.392) 4.655 11.692 ( -5.381 -0.994 4.398) 7.021 11.708 ( 1.258 -1.984 -4.756) 5.305 13.400 ( 13.010 3.602 0.210) 13.501 15.829 ( 25.869 16.283 -0.396) 30.570 17.019 ( -6.576 -15.642 -1.227) 17.012 17.268 ( -29.053 -4.630 1.584) 29.463======================= Grid point 571 (218/344) =======================q-point: (-0.20 0.47 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.115 ( -2.871 1.215 0.726) 3.201 3.159 ( 3.737 -0.081 -0.811) 3.825 4.224 ( 5.837 5.495 0.414) 8.027 4.687 ( 5.560 6.901 -0.473) 8.875 5.065 ( -8.179 -7.571 1.095) 11.199 5.120 ( -1.626 -3.051 -1.063) 3.617 5.625 ( 0.390 -1.925 0.042) 1.965 6.083 ( -3.411 1.504 0.297) 3.739 6.154 ( -1.503 -4.632 -0.225) 4.875 8.193 ( 1.466 2.540 -0.388) 2.958 8.289 ( -3.549 -2.596 1.290) 4.583 8.340 ( 4.495 2.535 -0.902) 5.238 11.528 ( -4.644 -5.062 0.012) 6.870 11.830 ( 5.364 5.879 -0.011) 7.958 13.537 ( -0.253 -0.272 -0.000) 0.371 16.214 ( -2.314 -2.608 -0.001) 3.486 16.886 ( 4.356 6.849 0.158) 8.118 16.894 ( -2.736 -5.013 -0.156) 5.713======================= Grid point 572 (219/344) =======================q-point: (-0.13 0.47 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.043 ( -6.812 0.626 3.267) 7.581 3.224 ( 4.554 -1.028 -3.537) 5.857 4.183 ( -13.380 1.354 -2.603) 13.698 4.708 ( -6.794 -3.229 -2.515) 7.932 4.947 ( 1.494 -2.547 3.868) 4.867 5.120 ( 3.318 -0.914 0.617) 3.496 5.649 ( 2.550 3.489 -0.622) 4.367 6.037 ( -4.676 0.817 6.591) 8.122 6.157 ( 4.717 -0.164 -1.970) 5.114 8.176 ( -4.176 -2.911 -0.052) 5.091 8.279 ( 1.182 4.125 1.653) 4.598 8.425 ( 6.424 -2.277 -4.124) 7.966 11.463 ( -1.110 1.541 1.667) 2.527 11.973 ( 8.188 -0.306 -2.486) 8.563 13.391 ( -10.144 -8.345 0.367) 13.140 15.780 ( -26.257 -15.493 0.253) 30.488 16.960 ( 12.588 -2.404 -0.001) 12.815 17.342 ( 20.676 23.836 0.176) 31.555======================= Grid point 582 (220/344) =======================q-point: ( 0.53 0.53 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.480 ( -0.000 5.006 1.436) 5.208 2.740 ( -0.000 8.028 9.515) 12.449 3.425 ( 0.000 2.699 -1.731) 3.207 3.536 ( 0.000 4.229 -1.435) 4.466 5.146 ( -0.000 7.962 -0.474) 7.976 5.539 ( -0.000 -13.290 11.151) 17.348 5.924 ( 0.000 11.380 -5.071) 12.459 6.051 ( -0.000 -1.590 0.932) 1.843 6.423 ( 0.000 -0.288 -1.416) 1.444 8.176 ( -0.000 2.573 0.341) 2.595 8.422 ( 0.000 2.821 -0.311) 2.838 8.835 ( 0.000 -3.354 -7.348) 8.077 11.232 ( 0.000 -8.782 -0.079) 8.782 12.441 ( 0.000 -10.515 -6.798) 12.521 12.915 ( -0.000 -7.841 3.563) 8.613 14.093 ( -0.000 0.520 0.291) 0.596 17.798 ( 0.000 0.256 -1.806) 1.824 18.547 ( -0.000 1.183 3.514) 3.708======================= Grid point 583 (221/344) =======================q-point: ( 0.60 0.53 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.634 ( 12.140 2.898 -0.164) 12.482 2.850 ( 1.888 4.946 10.119) 11.420 3.436 ( -0.685 3.713 1.160) 3.950 3.659 ( 10.239 2.339 -0.921) 10.543 5.206 ( 0.399 4.193 -1.386) 4.434 5.472 ( 1.831 -11.318 10.084) 15.268 5.894 ( -7.985 5.522 -3.758) 10.411 6.114 ( 4.494 0.454 -1.623) 4.799 6.427 ( -0.071 0.929 0.815) 1.238 8.189 ( -0.493 1.931 -1.504) 2.497 8.411 ( -3.609 1.491 -1.142) 4.069 8.720 ( -7.273 -1.352 -6.208) 9.657 11.294 ( 14.294 -4.500 0.143) 14.986 12.218 ( -12.165 -7.844 -4.946) 15.296 12.857 ( 0.289 -4.608 3.368) 5.715 14.303 ( 22.033 1.704 -0.139) 22.099 17.724 ( -8.243 -0.808 -2.070) 8.537 18.466 ( -11.378 -0.355 3.231) 11.834======================= Grid point 584 (222/344) =======================q-point: ( 0.67 0.53 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.842 ( 8.652 -0.756 -1.285) 8.779 3.014 ( 10.347 3.698 6.511) 12.773 3.501 ( 3.775 3.758 5.475) 7.638 3.905 ( 16.150 2.028 0.666) 16.291 5.231 ( 0.019 1.492 -2.322) 2.760 5.436 ( 1.934 -9.113 7.260) 11.811 5.779 ( -9.072 2.576 -2.491) 9.754 6.147 ( 1.530 -2.176 -4.363) 5.110 6.429 ( -2.096 1.301 1.671) 2.980 8.193 ( 0.311 0.332 -2.963) 2.998 8.321 ( -6.212 0.438 -3.556) 7.171 8.580 ( -7.764 2.387 -0.293) 8.128 11.553 ( 15.649 0.646 1.412) 15.725 11.918 ( -12.711 -4.957 -4.016) 14.222 12.897 ( 8.093 -1.827 2.440) 8.648 14.791 ( 31.691 3.230 -0.628) 31.861 17.494 ( -15.755 -2.643 -1.988) 16.099 18.188 ( -21.625 -1.242 2.646) 21.822======================= Grid point 585 (223/344) =======================q-point: (-0.27 -0.47 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.934 ( 6.190 -2.937 -0.509) 6.870 3.200 ( 3.551 4.010 1.480) 5.557 3.710 ( 15.950 0.076 8.375) 18.015 4.222 ( 17.851 2.281 2.263) 18.138 5.209 ( -2.178 -0.854 -3.750) 4.420 5.389 ( -2.650 -4.692 1.235) 5.528 5.643 ( -5.903 -1.692 1.434) 6.306 6.107 ( -0.284 -3.518 -6.457) 7.359 6.369 ( -6.414 0.208 -0.476) 6.435 8.171 ( -0.038 -1.967 -3.001) 3.588 8.259 ( -1.388 2.280 -1.733) 3.183 8.496 ( -7.342 4.638 3.404) 9.327 11.651 ( -3.389 -9.612 -2.948) 10.610 11.812 ( 0.441 12.052 2.712) 12.362 13.120 ( 18.102 -0.953 0.701) 18.141 15.369 ( 33.756 -0.109 -0.978) 33.770 17.176 ( -17.491 -0.119 -1.688) 17.573 17.755 ( -28.955 -0.684 2.057) 29.036======================= Grid point 586 (224/344) =======================q-point: (-0.20 -0.47 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.003 ( 6.429 -3.995 -2.078) 7.850 3.239 ( -2.856 3.596 2.679) 5.317 4.017 ( 18.030 -5.344 6.633) 19.941 4.536 ( 15.310 1.519 3.512) 15.781 5.113 ( -5.383 -3.318 -5.489) 8.373 5.232 ( -10.144 -1.666 -2.490) 10.577 5.604 ( 0.996 -0.720 3.322) 3.542 6.050 ( 0.864 -3.151 -7.507) 8.187 6.239 ( -7.565 -0.191 -0.917) 7.623 8.178 ( 2.303 0.370 -0.797) 2.465 8.254 ( 0.120 -1.691 -0.630) 1.809 8.448 ( -6.245 6.591 4.146) 9.981 11.508 ( -2.182 -5.817 -3.403) 7.083 11.925 ( -2.899 12.109 4.300) 13.173 13.387 ( 13.347 -4.886 -0.281) 14.217 15.812 ( 24.917 -16.912 -1.047) 30.132 17.012 ( -5.823 13.700 -1.509) 14.963 17.273 ( -28.660 5.553 1.778) 29.247======================= Grid point 598 (225/344) =======================q-point: ( 0.60 0.60 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.548 ( -0.000 1.118 1.007) 1.504 2.905 ( -0.000 0.854 11.715) 11.746 3.475 ( -0.000 3.189 2.552) 4.084 3.588 ( 0.000 1.965 -1.027) 2.217 5.218 ( 0.000 0.345 -1.319) 1.363 5.396 ( -0.000 -7.884 8.287) 11.438 6.023 ( 0.000 3.588 -8.597) 9.316 6.038 ( -0.000 -0.607 1.489) 1.608 6.449 ( -0.000 1.948 2.935) 3.523 8.188 ( 0.000 -0.788 -3.737) 3.819 8.452 ( 0.000 0.794 -1.032) 1.302 8.767 ( 0.000 1.754 -6.624) 6.852 11.116 ( 0.000 -3.008 0.222) 3.016 12.282 ( 0.000 -1.663 -4.346) 4.654 12.834 ( -0.000 -3.137 4.162) 5.212 14.100 ( -0.000 0.066 0.016) 0.068 17.792 ( 0.000 0.340 -2.362) 2.386 18.569 ( -0.000 -0.770 3.067) 3.162======================= Grid point 599 (226/344) =======================q-point: (-0.33 -0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.647 ( 10.113 -1.193 -0.729) 10.209 2.951 ( 3.168 -2.434 11.641) 12.308 3.517 ( -0.106 2.265 4.564) 5.096 3.698 ( 10.663 2.215 0.849) 10.924 5.217 ( 0.968 -0.843 -2.034) 2.405 5.359 ( 0.767 -6.564 6.125) 9.010 5.924 ( -7.234 0.459 -4.288) 8.422 6.082 ( 2.145 -1.391 -3.962) 4.715 6.477 ( -0.579 2.034 3.618) 4.191 8.158 ( 0.362 -2.635 -5.509) 6.118 8.409 ( -4.604 -0.033 -2.326) 5.159 8.729 ( -5.272 4.981 -3.004) 7.850 11.253 ( 16.222 0.019 0.372) 16.226 12.143 ( -13.736 3.140 -3.129) 14.433 12.830 ( 0.778 -0.629 3.915) 4.041 14.317 ( 23.626 -0.103 -0.353) 23.629 17.701 ( -9.763 -0.204 -2.526) 10.086 18.471 ( -11.706 -0.847 2.821) 12.071======================= Grid point 600 (227/344) =======================q-point: (-0.27 -0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.778 ( 7.982 -4.447 -1.834) 9.319 3.096 ( 12.004 -1.020 8.111) 14.524 3.553 ( 3.183 -2.833 6.658) 7.905 3.962 ( 16.210 2.528 3.649) 16.807 5.204 ( -0.380 -2.059 -4.537) 4.996 5.344 ( 2.019 -4.001 4.193) 6.138 5.763 ( -9.059 -2.265 -3.249) 9.887 6.057 ( -0.401 -2.894 -5.927) 6.608 6.467 ( -4.183 1.037 1.393) 4.529 8.119 ( 1.037 -3.284 -5.106) 6.159 8.319 ( -4.326 0.399 -1.963) 4.767 8.687 ( -6.561 7.200 1.679) 9.885 11.530 ( 11.346 -2.640 0.326) 11.654 11.986 ( -8.032 12.622 -1.389) 15.025 12.898 ( 6.968 0.312 2.655) 7.463 14.787 ( 31.605 -3.170 -0.811) 31.774 17.474 ( -15.597 1.789 -2.689) 15.928 18.191 ( -21.680 0.096 2.684) 21.846======================= Grid point 601 (228/344) =======================q-point: (-0.20 -0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.838 ( 6.691 -5.914 -1.762) 9.103 3.286 ( 4.508 2.680 2.965) 6.025 3.650 ( 14.816 -11.926 8.565) 20.859 4.282 ( 17.215 0.864 5.441) 18.075 5.130 ( -2.567 -4.349 -4.904) 7.039 5.331 ( -3.931 -1.246 -3.200) 5.220 5.615 ( -2.820 -1.277 1.703) 3.533 5.989 ( -0.878 -3.269 -8.087) 8.767 6.363 ( -7.804 -0.223 -1.728) 7.996 8.118 ( 3.087 -1.750 -2.074) 4.111 8.264 ( -2.078 -0.387 -0.342) 2.141 8.656 ( -7.337 8.405 4.091) 11.884 11.514 ( -4.081 -2.632 -2.025) 5.261 12.116 ( -0.673 16.836 3.237) 17.158 13.088 ( 14.583 -2.505 0.378) 14.801 15.216 ( 26.842 -13.439 -0.897) 30.031 17.274 ( -11.150 9.452 -3.078) 14.938 17.803 ( -26.340 4.793 2.766) 26.915======================= Grid point 614 (229/344) =======================q-point: (-0.33 -0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.536 ( -0.000 -2.886 0.545) 2.937 2.910 ( -0.000 -8.019 11.695) 14.180 3.592 ( -0.000 4.749 7.604) 8.966 3.598 ( 0.000 -0.368 -0.628) 0.728 5.188 ( 0.000 -1.321 -2.959) 3.241 5.312 ( -0.000 -5.662 4.863) 7.463 5.964 ( 0.000 -3.254 -9.340) 9.891 6.047 ( -0.000 0.466 1.857) 1.915 6.514 ( -0.000 1.917 4.365) 4.767 8.103 ( 0.000 -3.436 -7.202) 7.980 8.440 ( 0.000 -1.163 -1.488) 1.889 8.814 ( 0.000 6.374 -4.771) 7.962 11.121 ( -0.000 3.286 0.397) 3.310 12.325 ( 0.000 8.435 -2.797) 8.887 12.849 ( -0.000 1.628 4.835) 5.102 14.095 ( 0.000 -0.490 -0.164) 0.516 17.769 ( 0.000 -1.116 -3.136) 3.329 18.573 ( -0.000 -0.526 3.143) 3.187======================= Grid point 615 (230/344) =======================q-point: (-0.27 -0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.580 ( 8.314 -5.069 -1.010) 9.789 2.905 ( 6.730 -10.000 11.095) 16.382 3.551 ( -2.139 -1.723 3.211) 4.226 3.772 ( 10.871 2.509 6.258) 12.792 5.156 ( 0.330 -4.497 -4.856) 6.626 5.298 ( 1.499 -1.458 3.529) 4.102 5.840 ( -5.489 -5.438 -6.827) 10.311 6.044 ( -1.715 -0.286 -0.717) 1.881 6.535 ( -1.653 1.395 3.098) 3.779 8.050 ( 0.746 -3.299 -6.877) 7.664 8.381 ( -3.859 -1.599 -1.760) 4.533 8.842 ( -2.984 7.700 -1.998) 8.496 11.300 ( 13.716 4.587 0.340) 14.467 12.295 ( -12.200 13.868 -2.138) 18.594 12.887 ( -0.243 3.647 4.705) 5.958 14.295 ( 22.104 -1.838 -0.454) 22.185 17.671 ( -8.135 -1.110 -3.817) 9.054 18.485 ( -11.487 0.334 3.649) 12.057======================= Grid point 616 (231/344) =======================q-point: (-0.20 -0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.651 ( 7.374 -7.459 -1.617) 10.612 3.050 ( 17.669 -9.774 7.454) 21.524 3.497 ( -1.636 -5.987 4.480) 7.655 4.031 ( 15.276 0.002 7.001) 16.804 5.080 ( -0.271 -7.550 -3.621) 8.378 5.338 ( 0.867 1.431 -3.390) 3.780 5.667 ( -5.354 -4.217 -1.953) 7.090 5.981 ( -3.653 -1.202 -3.715) 5.347 6.477 ( -6.501 -0.353 -0.879) 6.570 8.038 ( 3.057 -1.776 -3.561) 5.017 8.300 ( -3.101 -1.361 -0.637) 3.446 8.854 ( -4.820 8.543 1.339) 9.899 11.519 ( 4.549 2.264 -0.341) 5.093 12.313 ( -2.726 20.438 -0.236) 20.621 12.948 ( 2.355 2.907 3.327) 5.007 14.670 ( 25.094 -7.800 -0.705) 26.288 17.500 ( -9.513 2.550 -4.552) 10.849 18.243 ( -19.610 3.315 4.131) 20.312======================= Grid point 630 (232/344) =======================q-point: (-0.27 -0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.442 ( 0.000 -7.045 -0.057) 7.045 2.764 ( -0.000 -14.274 10.198) 17.543 3.565 ( 0.000 -2.699 -0.276) 2.713 3.713 ( -0.000 0.232 10.185) 10.188 5.076 ( 0.000 -8.208 -3.868) 9.074 5.298 ( -0.000 2.564 0.462) 2.605 5.791 ( 0.000 -7.983 -7.546) 10.985 6.081 ( -0.000 1.628 2.087) 2.647 6.575 ( -0.000 1.657 3.430) 3.809 7.990 ( 0.000 -2.630 -7.296) 7.756 8.387 ( 0.000 -3.187 -1.653) 3.591 8.928 ( 0.000 7.721 -3.547) 8.497 11.245 ( -0.000 9.072 0.448) 9.083 12.559 ( 0.000 17.056 -2.617) 17.255 12.964 ( -0.000 6.692 5.824) 8.872 14.080 ( 0.000 -0.861 -0.187) 0.881 17.697 ( 0.000 -3.772 -4.969) 6.238 18.600 ( -0.000 0.738 4.880) 4.936======================= Grid point 631 (233/344) =======================q-point: (-0.20 -0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.437 ( 7.538 -8.967 -1.275) 11.784 2.713 ( 8.805 -16.589 8.748) 20.718 3.500 ( -2.936 -5.095 1.732) 6.130 3.823 ( 10.347 -3.797 8.144) 13.704 4.980 ( 0.503 -10.278 -1.739) 10.436 5.330 ( 0.396 2.458 -5.973) 6.471 5.674 ( -2.152 -5.067 -3.106) 6.321 6.060 ( -4.929 1.615 1.055) 5.293 6.566 ( -4.139 0.553 0.215) 4.182 7.965 ( 2.065 -1.130 -4.625) 5.190 8.324 ( -2.287 -3.192 -1.095) 4.077 8.983 ( -1.255 7.765 -1.698) 8.047 11.436 ( 8.982 9.238 0.097) 12.885 12.626 ( -9.441 20.985 -2.412) 23.137 13.037 ( -2.641 8.271 5.860) 10.475 14.245 ( 18.089 -2.877 -0.398) 18.321 17.595 ( -4.432 -3.528 -5.958) 8.221 18.540 ( -10.349 2.135 5.928) 12.116======================= Grid point 646 (234/344) =======================q-point: (-0.20 -0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.260 ( 0.000 -11.569 -0.871) 11.602 2.494 ( -0.000 -19.675 7.335) 20.998 3.491 ( 0.000 -4.836 -0.005) 4.836 3.675 ( -0.000 -11.904 8.187) 14.447 4.865 ( 0.000 -12.003 0.709) 12.024 5.312 ( 0.000 -1.679 -10.281) 10.418 5.656 ( 0.000 1.263 -0.260) 1.289 6.135 ( -0.000 2.427 1.968) 3.124 6.619 ( 0.000 1.984 -0.789) 2.135 7.927 ( 0.000 0.166 -3.446) 3.450 8.299 ( 0.000 -4.661 -1.205) 4.815 9.052 ( 0.000 6.864 -2.521) 7.313 11.467 ( -0.000 13.146 0.196) 13.148 12.922 ( 0.000 21.689 -3.789) 22.018 13.188 ( -0.000 12.247 6.883) 14.048 14.062 ( 0.000 -0.857 -0.003) 0.857 17.555 ( 0.000 -6.753 -7.121) 9.813 18.666 ( -0.000 1.637 7.701) 7.873======================= Grid point 727 (235/344) =======================q-point: ( 0.20 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 344Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.754 ( -0.000 0.000 23.086) 23.086 0.754 ( -0.000 0.000 23.086) 23.086 1.383 ( -0.000 0.000 43.669) 43.669 2.945 ( 0.000 -0.000 -4.137) 4.137 2.945 ( 0.000 -0.000 -4.137) 4.137 5.047 ( 0.000 -0.000 -9.189) 9.189 6.294 ( -0.000 0.000 0.232) 0.232 6.294 ( -0.000 0.000 0.232) 0.232 7.939 ( 0.000 -0.000 -2.017) 2.017 7.939 ( 0.000 -0.000 -2.017) 2.017 8.866 ( 0.000 -0.000 -3.463) 3.463 10.955 ( -0.000 0.000 2.350) 2.350 12.507 ( -0.000 0.000 1.326) 1.326 12.507 ( -0.000 0.000 1.326) 1.326 14.039 ( 0.000 -0.000 -0.373) 0.373 14.039 ( 0.000 -0.000 -0.373) 0.373 14.875 ( 0.000 -0.000 -0.931) 0.931 18.747 ( -0.000 0.000 0.023) 0.023======================= Grid point 728 (236/344) =======================q-point: ( 0.27 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.930 ( 11.674 6.740 17.809) 22.336 1.075 ( 11.359 6.558 22.547) 26.085 1.717 ( 20.566 11.874 29.292) 37.709 2.976 ( 3.414 1.971 -3.993) 5.612 3.112 ( 15.033 8.679 -2.462) 17.533 4.998 ( -1.094 -0.632 -9.703) 9.785 6.256 ( -2.344 -1.353 -0.328) 2.727 6.286 ( -0.756 -0.436 0.144) 0.884 7.585 ( -31.809 -18.365 2.744) 36.832 7.969 ( 2.628 1.517 -1.742) 3.499 8.915 ( 3.462 1.999 -3.103) 5.060 9.396 ( -50.090 -28.920 34.111) 67.149 12.437 ( -5.952 -3.436 1.100) 6.960 13.799 ( 19.235 11.105 -32.933) 39.723 14.005 ( -0.887 -0.512 -3.307) 3.462 14.050 ( 0.588 0.339 -0.177) 0.702 15.642 ( 63.103 36.433 -13.435) 74.093 18.664 ( -4.081 -2.356 -1.557) 4.963======================= Grid point 729 (237/344) =======================q-point: ( 0.33 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.310 ( 16.741 9.665 11.089) 22.285 1.402 ( 13.450 7.765 19.457) 24.895 2.389 ( 30.230 17.453 11.655) 36.801 3.064 ( 5.412 3.124 -3.536) 7.180 3.536 ( 21.734 12.548 0.892) 25.112 4.957 ( 0.619 0.357 -9.322) 9.349 6.215 ( -0.804 -0.464 -1.744) 1.976 6.263 ( -1.252 -0.723 -0.168) 1.456 6.811 ( -32.945 -19.021 5.700) 38.467 8.040 ( 4.012 2.316 -1.094) 4.760 8.792 ( -13.596 -7.850 15.090) 21.776 9.052 ( 0.485 0.280 -2.031) 2.107 12.256 ( -10.182 -5.879 0.695) 11.778 13.700 ( -10.069 -5.814 -15.336) 19.245 13.920 ( -6.071 -3.505 -7.555) 10.306 14.062 ( 0.498 0.288 0.072) 0.580 16.712 ( 32.259 18.625 -3.166) 37.383 18.640 ( 3.753 2.167 -8.841) 9.846======================= Grid point 730 (238/344) =======================q-point: ( 0.40 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.715 ( 16.293 9.407 6.864) 20.027 1.820 ( 18.808 10.859 11.696) 24.667 3.056 ( 26.465 15.280 0.422) 30.562 3.184 ( 6.057 3.497 -2.924) 7.581 4.040 ( 21.839 12.609 4.149) 25.557 4.977 ( 3.620 2.090 -6.430) 7.670 6.164 ( -8.644 -4.990 -4.601) 10.990 6.231 ( -1.425 -0.823 -0.673) 1.777 6.294 ( -8.920 -5.150 7.850) 12.951 8.134 ( 4.392 2.535 -0.152) 5.073 8.563 ( -11.264 -6.503 10.336) 16.614 9.022 ( -2.884 -1.665 -5.758) 6.651 12.000 ( -12.483 -7.207 0.205) 14.415 13.366 ( -15.030 -8.678 -11.185) 20.647 13.714 ( -10.014 -5.782 -4.442) 12.387 14.072 ( 0.327 0.189 0.275) 0.468 17.181 ( 12.141 7.009 7.864) 16.074 18.734 ( 6.194 3.576 -11.045) 13.158======================= Grid point 731 (239/344) =======================q-point: ( 0.47 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.069 ( 13.510 7.800 4.128) 16.137 2.292 ( 20.353 11.751 5.139) 24.057 3.307 ( 5.563 3.212 -2.165) 6.778 3.536 ( 17.186 9.922 -8.849) 21.728 4.510 ( 17.993 10.388 6.738) 21.842 5.068 ( 5.299 3.059 -0.705) 6.159 5.955 ( -4.808 -2.776 3.582) 6.607 6.196 ( -1.440 -0.831 -1.212) 2.058 6.307 ( 3.031 1.750 1.246) 3.715 8.229 ( 3.909 2.257 0.781) 4.581 8.348 ( -10.172 -5.873 6.912) 13.629 8.881 ( -7.847 -4.530 -5.582) 10.642 11.716 ( -12.623 -7.288 -0.219) 14.577 12.980 ( -16.275 -9.396 -7.288) 20.157 13.464 ( -10.781 -6.224 -3.143) 12.840 14.080 ( 0.251 0.145 0.365) 0.466 17.401 ( 6.286 3.629 8.318) 11.039 18.803 ( 2.479 1.431 -8.023) 8.518======================= Grid point 732 (240/344) =======================q-point: ( 0.53 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.339 ( 9.625 5.557 2.060) 11.303 2.745 ( 19.193 11.081 -0.228) 22.163 3.414 ( 4.464 2.577 -1.178) 5.288 3.756 ( 6.142 3.546 -14.671) 16.295 4.859 ( 10.932 6.312 5.387) 13.725 5.219 ( 7.364 4.252 8.557) 12.063 5.949 ( 1.169 0.675 2.959) 3.252 6.160 ( -1.382 -0.798 -1.630) 2.281 6.391 ( 4.245 2.451 -1.162) 5.037 8.180 ( -5.937 -3.428 5.390) 8.720 8.311 ( 2.999 1.732 1.390) 3.732 8.654 ( -10.746 -6.204 -2.105) 12.585 11.449 ( -10.815 -6.244 -0.444) 12.496 12.611 ( -14.529 -8.388 -4.101) 17.270 13.230 ( -8.987 -5.189 -2.651) 10.711 14.087 ( 0.288 0.166 0.339) 0.475 17.543 ( 4.512 2.605 5.926) 7.890 18.793 ( -1.139 -0.658 -5.084) 5.251======================= Grid point 733 (241/344) =======================q-point: ( 0.60 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.510 ( 5.292 3.055 0.365) 6.122 3.136 ( 16.230 9.370 -5.556) 19.547 3.498 ( 3.190 1.842 -0.049) 3.684 3.740 ( -2.149 -1.241 -15.410) 15.609 5.050 ( 5.496 3.173 3.787) 7.390 5.419 ( 5.696 3.289 13.929) 15.404 5.944 ( -2.301 -1.328 -3.601) 4.475 6.125 ( -1.114 -0.643 -1.916) 2.308 6.482 ( 4.348 2.510 -3.138) 5.921 8.134 ( -0.396 -0.228 3.173) 3.206 8.371 ( 1.910 1.103 1.632) 2.744 8.428 ( -8.500 -4.908 6.951) 12.028 11.242 ( -7.355 -4.246 -0.471) 8.506 12.328 ( -9.407 -5.431 -1.576) 10.977 13.054 ( -5.833 -3.368 -2.659) 7.242 14.094 ( 0.247 0.143 0.248) 0.378 17.644 ( 3.061 1.767 3.876) 5.246 18.734 ( -2.489 -1.437 -3.468) 4.504======================= Grid point 734 (242/344) =======================q-point: ( 0.67 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.579 ( 1.011 0.584 -0.778) 1.403 3.373 ( 4.151 2.397 -15.445) 16.172 3.555 ( 1.761 1.016 0.847) 2.202 3.642 ( 1.017 0.587 -8.144) 8.228 5.137 ( 1.098 0.634 3.277) 3.514 5.503 ( -2.533 -1.462 9.013) 9.476 5.858 ( -2.459 -1.419 -4.688) 5.481 6.100 ( -0.514 -0.297 -2.126) 2.207 6.556 ( 3.086 1.782 -3.800) 5.210 8.074 ( -5.676 -3.277 1.043) 6.636 8.405 ( 0.584 0.337 1.693) 1.822 8.431 ( 5.125 2.959 15.163) 16.277 11.128 ( -2.558 -1.477 -0.424) 2.984 12.201 ( -1.528 -0.882 0.589) 1.861 12.955 ( -2.111 -1.219 -3.118) 3.958 14.098 ( -0.033 -0.019 0.154) 0.158 17.702 ( 0.985 0.569 2.863) 3.080 18.674 ( -1.743 -1.007 -3.006) 3.618======================= Grid point 735 (243/344) =======================q-point: (-0.27 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.553 ( -2.919 -1.685 -1.089) 3.542 3.202 ( -10.336 -5.967 -16.201) 20.122 3.579 ( -0.002 -0.001 1.140) 1.140 3.754 ( 6.887 3.976 -7.870) 11.188 5.123 ( -2.847 -1.644 2.957) 4.422 5.400 ( -5.977 -3.451 -0.288) 6.908 5.811 ( -2.660 -1.536 2.673) 4.071 6.090 ( 0.370 0.214 -2.248) 2.288 6.593 ( 1.373 0.793 -3.440) 3.788 7.965 ( -4.290 -2.477 5.472) 7.382 8.406 ( -1.004 -0.579 1.698) 2.056 8.649 ( 8.976 5.182 11.603) 15.558 11.129 ( 2.863 1.653 -0.396) 3.329 12.270 ( 7.217 4.167 2.344) 8.657 12.941 ( 1.980 1.143 -3.924) 4.541 14.093 ( -0.446 -0.258 0.085) 0.522 17.704 ( -1.653 -0.954 3.008) 3.562 18.644 ( 0.082 0.048 -3.528) 3.530======================= Grid point 736 (244/344) =======================q-point: (-0.20 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.444 ( -6.527 -3.768 -0.513) 7.554 2.877 ( -14.207 -8.202 -12.125) 20.399 3.560 ( -2.081 -1.202 0.792) 2.530 3.813 ( 0.256 0.148 -9.770) 9.775 5.041 ( -5.771 -3.332 2.996) 7.307 5.300 ( -1.812 -1.046 0.695) 2.205 5.729 ( -5.461 -3.153 4.174) 7.562 6.102 ( 1.354 0.782 -2.220) 2.715 6.602 ( 0.549 0.317 -2.047) 2.143 7.922 ( -1.458 -0.842 6.090) 6.318 8.370 ( -2.668 -1.540 1.597) 3.470 8.876 ( 8.240 4.757 6.783) 11.685 11.250 ( 7.824 4.517 -0.358) 9.041 12.528 ( 14.637 8.451 3.402) 17.240 13.019 ( 6.286 3.629 -5.054) 8.845 14.079 ( -0.730 -0.421 0.044) 0.844 17.650 ( -4.175 -2.410 4.376) 6.511 18.650 ( 1.549 0.895 -5.021) 5.330======================= Grid point 743 (245/344) =======================q-point: ( 0.27 0.27 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.110 ( -0.000 15.801 16.776) 23.046 1.135 ( -0.000 23.016 18.269) 29.385 1.719 ( -0.000 7.822 31.089) 32.057 2.944 ( 0.000 3.424 -4.582) 5.720 3.141 ( -0.000 20.754 -1.853) 20.837 4.972 ( 0.000 -0.138 -10.321) 10.322 6.233 ( 0.000 -5.694 0.488) 5.715 6.286 ( -0.000 -0.986 0.151) 0.997 7.781 ( 0.000 -12.737 -3.866) 13.311 7.936 ( 0.000 1.849 -1.904) 2.654 8.905 ( 0.000 4.742 -3.416) 5.844 9.403 ( -0.000 -73.348 34.932) 81.241 12.465 ( -0.000 -5.853 1.241) 5.983 13.677 ( 0.000 23.974 -29.342) 37.890 14.028 ( 0.000 -0.191 -0.294) 0.350 14.044 ( 0.000 1.359 -3.618) 3.865 15.625 ( 0.000 75.166 -11.652) 76.064 18.607 ( 0.000 -13.027 0.391) 13.033======================= Grid point 744 (246/344) =======================q-point: ( 0.33 0.27 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.332 ( 3.614 18.066 13.119) 22.617 1.448 ( 3.775 17.109 19.593) 26.284 2.122 ( 22.439 15.586 13.272) 30.373 3.022 ( 4.883 5.901 -4.456) 8.862 3.443 ( 9.534 23.568 1.755) 25.484 4.938 ( -0.557 1.997 -9.867) 10.083 6.184 ( 0.778 -5.165 0.445) 5.242 6.261 ( -1.450 -2.052 -0.458) 2.554 7.283 ( -33.971 -14.459 1.096) 36.937 7.985 ( 3.365 1.521 -1.673) 4.054 8.837 ( -4.265 -24.442 16.142) 29.600 9.028 ( 1.686 -3.371 1.754) 4.157 12.347 ( -6.027 -7.165 0.959) 9.412 13.676 ( -2.528 -5.326 -18.623) 19.534 13.946 ( -5.070 -4.413 -3.536) 7.594 14.066 ( 1.025 0.911 -1.698) 2.182 16.537 ( 23.237 52.566 -8.361) 58.078 18.502 ( 4.112 -10.779 -4.122) 12.251======================= Grid point 745 (247/344) =======================q-point: ( 0.40 0.27 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.661 ( 10.664 16.818 9.572) 22.095 1.765 ( 7.633 17.302 13.943) 23.495 2.708 ( 25.753 11.448 0.788) 28.194 3.179 ( 6.082 10.749 -4.184) 13.040 3.889 ( 15.604 20.514 5.524) 26.360 4.943 ( 1.218 4.567 -7.716) 9.049 6.166 ( 1.300 -6.302 1.005) 6.513 6.187 ( -2.756 -2.484 -2.532) 4.492 6.651 ( -27.461 -3.509 5.071) 28.145 8.065 ( 5.052 0.932 -0.813) 5.201 8.618 ( -4.090 -16.752 10.666) 20.276 9.036 ( -1.325 0.732 -5.125) 5.344 12.144 ( -10.428 -6.454 0.678) 12.283 13.429 ( -9.617 -11.333 -12.764) 19.592 13.761 ( -6.941 -9.786 -3.515) 12.502 14.093 ( 0.439 3.036 -0.360) 3.089 17.167 ( 8.904 23.882 6.140) 26.217 18.534 ( 11.051 -5.277 -11.281) 16.650======================= Grid point 746 (248/344) =======================q-point: ( 0.47 0.27 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.039 ( 8.992 18.806 4.766) 21.384 2.131 ( 14.371 13.427 8.692) 21.503 3.125 ( 16.153 1.899 -4.158) 16.788 3.427 ( 9.774 16.110 -6.954) 20.085 4.364 ( 16.397 15.740 8.039) 24.109 5.018 ( 3.903 5.364 -3.460) 7.482 6.024 ( -5.665 -4.859 1.319) 7.579 6.196 ( 1.915 -0.686 -1.120) 2.322 6.373 ( -9.596 2.943 5.463) 11.428 8.157 ( 5.098 -0.519 0.781) 5.184 8.425 ( -5.438 -11.442 5.139) 13.671 8.945 ( -6.121 -2.608 -5.745) 8.790 11.890 ( -13.206 -4.530 0.366) 13.966 13.081 ( -12.908 -13.158 -8.152) 20.155 13.521 ( -7.619 -11.286 -3.069) 13.959 14.137 ( -0.755 6.468 0.087) 6.513 17.423 ( 1.381 9.930 10.251) 14.339 18.638 ( 10.382 -5.480 -10.884) 16.009======================= Grid point 747 (249/344) =======================q-point: ( 0.53 0.27 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.335 ( 4.724 16.345 3.225) 17.317 2.547 ( 17.449 11.728 1.645) 21.088 3.321 ( 8.746 1.129 -3.145) 9.363 3.686 ( 6.348 12.306 -12.237) 18.479 4.762 ( 11.994 10.169 7.098) 17.252 5.154 ( 7.151 4.329 4.091) 9.306 5.965 ( -0.802 1.015 3.279) 3.524 6.186 ( -2.354 -0.016 -0.615) 2.433 6.353 ( 1.503 1.495 2.247) 3.089 8.173 ( -0.784 -8.698 4.119) 9.656 8.316 ( 0.606 0.268 -0.144) 0.678 8.758 ( -9.201 -5.409 -3.275) 11.165 11.633 ( -13.578 -1.374 0.105) 13.648 12.706 ( -13.147 -14.093 -4.452) 19.780 13.285 ( -7.066 -9.276 -2.909) 12.018 14.192 ( -2.990 11.082 0.310) 11.482 17.530 ( 1.312 2.904 7.949) 8.564 18.679 ( 6.357 -8.699 -7.354) 13.045======================= Grid point 748 (250/344) =======================q-point: ( 0.60 0.27 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.536 ( 1.310 12.935 1.427) 13.079 2.926 ( 15.994 8.417 -4.078) 18.528 3.449 ( 5.901 2.582 -2.271) 6.830 3.777 ( -2.409 9.259 -13.538) 16.578 5.000 ( 6.338 5.061 4.259) 9.161 5.366 ( 9.238 2.754 11.949) 15.353 5.964 ( -2.279 -0.016 -1.768) 2.885 6.135 ( -2.424 -1.161 -0.124) 2.691 6.420 ( 4.042 1.145 -0.936) 4.304 8.102 ( 1.303 -5.498 3.974) 6.908 8.359 ( 1.344 1.003 -0.916) 1.911 8.545 ( -8.171 -5.239 3.500) 10.319 11.425 ( -12.285 3.816 -0.059) 12.864 12.361 ( -9.386 -14.647 -1.683) 17.478 13.094 ( -5.582 -5.828 -2.961) 8.596 14.249 ( -6.026 15.787 0.425) 16.903 17.590 ( 3.202 -2.365 5.166) 6.522 18.646 ( 3.929 -11.002 -4.777) 12.621======================= Grid point 749 (251/344) =======================q-point: ( 0.67 0.27 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.638 ( -2.268 9.494 -0.008) 9.761 3.186 ( 10.785 1.190 -9.336) 14.315 3.569 ( 4.808 6.139 -3.757) 8.656 3.727 ( -8.322 9.420 -9.235) 15.598 5.124 ( 3.015 1.829 3.793) 5.179 5.528 ( 2.590 -1.645 11.644) 12.041 5.869 ( -3.889 -2.198 -7.018) 8.319 6.088 ( -1.132 -2.222 -0.221) 2.503 6.493 ( 4.124 0.320 -2.399) 4.782 8.117 ( -0.002 -1.404 2.001) 2.445 8.320 ( 0.236 -5.770 4.108) 7.087 8.500 ( 0.847 2.599 7.468) 7.953 11.301 ( -10.696 10.369 -0.234) 14.899 12.126 ( -0.863 -14.157 0.557) 14.194 12.968 ( -3.325 -2.599 -3.293) 5.353 14.293 ( -9.206 19.067 0.477) 21.178 17.628 ( 4.639 -6.395 3.408) 8.604 18.584 ( 3.752 -11.589 -3.500) 12.674======================= Grid point 750 (252/344) =======================q-point: (-0.27 0.27 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.647 ( -5.544 6.298 -0.554) 8.409 3.217 ( -1.733 -2.676 -13.413) 13.786 3.621 ( -3.008 2.535 -5.641) 6.877 3.742 ( 0.608 13.416 -3.896) 13.984 5.157 ( -1.109 -0.673 3.431) 3.668 5.465 ( -6.234 -4.296 -0.347) 7.579 5.817 ( 0.355 -2.923 1.927) 3.519 6.055 ( 0.453 -2.931 -0.412) 2.994 6.541 ( 3.082 -1.100 -2.623) 4.194 8.048 ( -5.339 -1.225 4.306) 6.967 8.350 ( 4.490 -4.420 3.585) 7.249 8.617 ( 5.803 4.273 8.160) 10.887 11.261 ( -8.236 14.375 -0.398) 16.571 12.086 ( 9.926 -10.231 2.244) 14.430 12.913 ( -0.194 -0.171 -3.891) 3.899 14.308 ( -11.624 19.849 0.490) 23.007 17.643 ( 4.444 -8.379 2.901) 9.918 18.536 ( 5.073 -10.918 -3.280) 12.478======================= Grid point 751 (253/344) =======================q-point: (-0.20 0.27 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.576 ( -8.520 3.753 -0.077) 9.310 3.024 ( -12.858 -0.804 -12.623) 18.036 3.575 ( -1.992 -1.408 -1.711) 2.979 3.843 ( -1.381 10.490 -7.814) 13.153 5.111 ( -4.118 -2.062 4.067) 6.144 5.332 ( -3.910 -1.598 -2.437) 4.877 5.775 ( -2.547 -5.628 5.433) 8.227 6.045 ( 2.172 -3.319 -0.694) 4.027 6.560 ( 2.177 -2.287 -1.945) 3.708 7.985 ( -3.549 0.142 6.099) 7.058 8.363 ( 0.877 -3.855 1.758) 4.326 8.804 ( 8.313 3.755 5.502) 10.653 11.303 ( -2.947 14.086 -0.311) 14.394 12.270 ( 18.212 -3.265 2.828) 18.717 12.935 ( 3.853 1.338 -4.693) 6.218 14.290 ( -12.491 17.992 0.469) 21.908 17.633 ( 2.351 -7.883 3.717) 9.027 18.523 ( 6.681 -9.617 -4.048) 12.390======================= Grid point 759 (254/344) =======================q-point: ( 0.33 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.520 ( -0.000 16.592 9.877) 19.310 1.660 ( -0.000 15.102 20.762) 25.673 2.147 ( -0.000 24.356 6.596) 25.234 3.017 ( 0.000 6.895 -3.959) 7.951 3.634 ( -0.000 27.599 2.408) 27.704 4.944 ( 0.000 4.787 -9.369) 10.521 6.123 ( -0.000 -5.518 1.001) 5.608 6.257 ( 0.000 -2.081 -0.142) 2.086 7.412 ( 0.000 -20.188 -8.843) 22.040 7.988 ( 0.000 4.548 -0.869) 4.630 8.617 ( -0.000 -30.418 23.014) 38.143 9.017 ( 0.000 4.312 -2.761) 5.120 12.300 ( 0.000 -11.567 0.509) 11.578 13.591 ( 0.000 -6.830 -16.273) 17.648 13.954 ( 0.000 -7.719 -4.598) 8.985 14.030 ( -0.000 0.389 0.206) 0.440 16.887 ( 0.000 56.663 -6.757) 57.065 18.322 ( 0.000 -14.342 -2.126) 14.499======================= Grid point 760 (255/344) =======================q-point: ( 0.40 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.727 ( 3.905 15.632 9.138) 18.523 1.905 ( 4.669 15.626 15.473) 22.481 2.521 ( 12.592 21.615 -1.397) 25.054 3.141 ( 6.874 8.970 -3.759) 11.909 3.958 ( 6.007 25.577 4.708) 26.691 4.974 ( -0.353 8.154 -7.630) 11.173 6.090 ( 1.413 -4.838 1.336) 5.214 6.207 ( -2.892 -2.869 -0.806) 4.152 7.006 ( -19.090 -13.451 -3.718) 23.647 8.022 ( 0.391 3.188 0.014) 3.212 8.478 ( 2.554 -19.392 13.276) 23.640 9.047 ( -0.216 2.173 -4.406) 4.917 12.167 ( -2.155 -11.733 0.355) 11.934 13.409 ( -5.749 -10.580 -13.097) 17.791 13.763 ( -7.376 -12.186 -2.462) 14.456 14.084 ( 3.617 1.909 -0.396) 4.109 17.388 ( 2.357 35.447 4.366) 35.793 18.250 ( 8.073 -9.874 -8.234) 15.182======================= Grid point 761 (256/344) =======================q-point: ( 0.47 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.033 ( 10.867 15.939 6.144) 20.246 2.200 ( 5.408 17.883 10.224) 21.298 2.890 ( 13.533 10.038 -5.750) 17.803 3.383 ( 10.455 12.694 -4.924) 17.167 4.342 ( 10.158 20.464 7.075) 23.917 5.040 ( 0.229 9.544 -4.825) 10.697 6.051 ( -2.171 -4.415 0.686) 4.968 6.148 ( 0.852 -1.807 0.511) 2.062 6.631 ( -15.126 -2.801 2.903) 15.655 8.077 ( 3.497 0.615 0.864) 3.654 8.364 ( -0.966 -13.240 4.983) 14.179 8.995 ( -4.427 -1.643 -5.992) 7.629 12.002 ( -5.936 -8.745 0.547) 10.584 13.123 ( -10.081 -12.346 -9.563) 18.588 13.501 ( -6.626 -14.447 -1.581) 15.972 14.179 ( 3.378 6.037 -0.260) 6.923 17.626 ( -5.532 15.600 12.378) 20.668 18.327 ( 12.822 -6.976 -12.620) 19.296======================= Grid point 762 (257/344) =======================q-point: ( 0.53 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.408 ( 13.915 13.873 1.989) 19.750 2.482 ( 2.947 19.721 6.403) 20.942 3.137 ( 11.801 2.474 -5.966) 13.453 3.663 ( 8.821 13.761 -7.567) 18.012 4.716 ( 10.446 14.334 7.648) 19.315 5.128 ( 2.015 7.078 -0.806) 7.403 6.000 ( -1.018 0.271 2.273) 2.505 6.175 ( 2.681 -1.800 1.612) 3.609 6.443 ( -8.350 0.465 4.704) 9.595 8.116 ( 0.555 -5.471 3.622) 6.585 8.265 ( 1.515 -4.305 -1.840) 4.921 8.836 ( -7.856 -5.002 -5.541) 10.836 11.806 ( -9.125 -5.175 0.731) 10.516 12.782 ( -12.857 -12.594 -5.892) 18.938 13.275 ( -4.624 -11.158 -1.688) 12.196 14.315 ( 2.636 11.652 0.052) 11.947 17.648 ( -7.100 5.451 10.289) 13.637 18.400 ( 10.188 -11.660 -9.331) 18.078======================= Grid point 763 (258/344) =======================q-point: ( 0.60 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.699 ( 0.285 16.154 5.268) 16.994 2.760 ( 11.901 12.182 -4.319) 17.569 3.323 ( 10.531 2.267 -4.859) 11.817 3.865 ( 2.221 13.635 -9.070) 16.526 4.982 ( 5.177 8.365 4.839) 10.963 5.265 ( 7.976 2.851 6.257) 10.531 6.003 ( -1.651 0.445 0.316) 1.739 6.177 ( -1.898 -1.552 2.720) 3.663 6.385 ( -0.386 -0.143 2.736) 2.766 8.048 ( -0.359 -5.291 2.895) 6.042 8.307 ( 4.331 -0.491 -2.499) 5.025 8.626 ( -8.033 -6.287 -1.705) 10.342 11.628 ( -8.147 -0.721 0.866) 8.224 12.420 ( -13.936 -12.221 -2.911) 18.763 13.118 ( -4.342 -4.733 -2.072) 6.749 14.488 ( 0.009 18.613 0.415) 18.617 17.587 ( -4.772 -2.352 6.687) 8.546 18.383 ( 7.881 -16.977 -5.989) 19.652======================= Grid point 764 (259/344) =======================q-point: ( 0.67 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.818 ( -4.563 13.694 1.645) 14.528 3.011 ( 10.172 4.462 -5.944) 12.598 3.513 ( 8.122 7.530 -5.627) 12.424 3.942 ( -5.354 14.512 -8.033) 17.430 5.110 ( 2.585 3.399 3.854) 5.753 5.448 ( 8.268 -2.217 9.779) 12.996 5.914 ( -6.247 -2.356 -6.169) 9.090 6.117 ( -3.867 -1.849 3.640) 5.623 6.415 ( 3.505 -1.733 0.423) 3.933 8.066 ( 4.223 -0.559 3.814) 5.718 8.310 ( -2.006 -4.035 -2.311) 5.064 8.500 ( 0.010 -2.617 3.529) 4.394 11.549 ( -4.718 6.672 0.651) 8.198 12.077 ( -11.162 -12.566 -0.498) 16.815 13.016 ( -4.950 0.978 -2.466) 5.616 14.661 ( -5.609 25.382 0.758) 26.005 17.503 ( 0.110 -9.867 4.070) 10.674 18.315 ( 7.818 -19.813 -4.029) 21.677======================= Grid point 765 (260/344) =======================q-point: ( 0.73 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.830 ( -6.771 8.486 0.087) 10.857 3.150 ( 4.788 2.796 -6.649) 8.658 3.660 ( 1.054 8.479 -9.344) 12.661 3.950 ( -7.262 16.163 -4.268) 18.226 5.168 ( 0.725 -0.139 4.003) 4.070 5.499 ( -1.472 -6.120 4.408) 7.684 5.779 ( -1.814 -3.135 -5.264) 6.390 6.050 ( -2.688 -2.823 4.390) 5.871 6.454 ( 3.933 -3.444 -0.318) 5.237 8.127 ( -2.125 0.434 2.799) 3.541 8.247 ( 3.199 -3.510 2.995) 5.615 8.556 ( 5.711 -0.604 2.961) 6.461 11.581 ( -7.427 16.318 -1.115) 17.963 11.847 ( 2.036 -14.191 2.582) 14.567 12.953 ( -4.619 4.334 -2.861) 6.950 14.774 ( -12.938 28.638 0.985) 31.441 17.443 ( 5.785 -14.254 2.768) 15.630 18.250 ( 9.262 -20.261 -3.149) 22.499======================= Grid point 766 (261/344) =======================q-point: (-0.20 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.767 ( -8.315 4.771 0.395) 9.595 3.176 ( -4.534 6.236 -7.751) 10.933 3.625 ( -6.612 2.668 -7.810) 10.575 4.005 ( -4.532 16.154 -4.885) 17.475 5.159 ( -1.988 -1.950 4.484) 5.278 5.380 ( -4.768 -2.808 -2.126) 5.928 5.735 ( 0.879 -6.873 1.697) 7.134 6.004 ( -0.990 -3.414 4.568) 5.788 6.475 ( 3.405 -4.811 -0.131) 5.896 8.072 ( -4.102 0.517 4.145) 5.855 8.300 ( 3.000 -2.625 1.903) 4.417 8.689 ( 9.191 0.122 1.459) 9.307 11.535 ( -8.301 7.594 -0.695) 11.272 11.967 ( 15.256 1.319 2.371) 15.495 12.928 ( -2.534 5.106 -3.174) 6.524 14.778 ( -18.388 25.635 0.972) 31.563 17.446 ( 8.799 -12.621 2.896) 15.655 18.221 ( 11.225 -18.859 -3.153) 22.173======================= Grid point 775 (262/344) =======================q-point: ( 0.40 0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.869 ( -0.000 14.404 4.953) 15.232 2.013 ( -0.000 10.400 15.747) 18.871 2.678 ( 0.000 26.933 -3.384) 27.145 3.148 ( 0.000 8.555 -2.859) 9.020 4.172 ( -0.000 24.612 4.166) 24.962 5.055 ( 0.000 12.330 -6.715) 14.040 6.038 ( -0.000 -4.602 2.092) 5.055 6.205 ( 0.000 -2.993 -0.321) 3.010 6.958 ( 0.000 -18.207 -10.464) 21.000 8.097 ( -0.000 6.555 0.362) 6.565 8.320 ( -0.000 -15.274 14.902) 21.340 9.055 ( 0.000 1.386 -4.293) 4.511 12.038 ( 0.000 -15.126 -0.304) 15.129 13.312 ( 0.000 -11.584 -11.755) 16.504 13.709 ( 0.000 -14.540 -2.359) 14.730 14.045 ( -0.000 0.752 0.659) 1.000 17.731 ( -0.000 30.612 7.618) 31.545 18.065 ( 0.000 -7.503 -8.647) 11.449======================= Grid point 776 (263/344) =======================q-point: ( 0.47 0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.065 ( 5.671 14.515 4.734) 16.287 2.241 ( 8.605 10.835 10.528) 17.387 2.905 ( 0.672 19.094 -4.988) 19.747 3.308 ( 9.101 10.106 -2.899) 13.906 4.446 ( 4.267 20.815 4.825) 21.789 5.156 ( -1.571 14.677 -5.275) 15.675 6.012 ( 1.168 -4.880 2.501) 5.607 6.149 ( -2.317 -2.722 0.425) 3.600 6.730 ( -4.597 -11.170 -5.649) 13.335 8.105 ( -3.615 3.248 3.796) 6.167 8.270 ( 1.338 -8.411 5.852) 10.333 9.021 ( -2.730 -1.585 -5.611) 6.438 11.913 ( 2.197 -13.980 -0.208) 14.153 13.105 ( -6.012 -12.966 -10.066) 17.481 13.472 ( -7.475 -15.878 -0.290) 17.552 14.132 ( 7.129 2.983 0.104) 7.729 17.908 ( -4.448 3.783 15.512) 16.575 18.087 ( 5.205 8.885 -14.406) 17.707======================= Grid point 777 (264/344) =======================q-point: ( 0.53 0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.355 ( 9.640 14.024 3.581) 17.390 2.561 ( 11.967 13.264 6.756) 19.100 3.039 ( 1.527 9.538 -5.709) 11.221 3.587 ( 12.021 11.032 -3.736) 16.738 4.736 ( 6.915 15.538 5.352) 17.830 5.234 ( -3.570 12.837 -3.709) 13.830 5.996 ( 1.336 -3.551 2.280) 4.426 6.124 ( 1.282 -1.621 4.036) 4.534 6.565 ( -5.284 -4.732 -0.186) 7.095 8.092 ( -1.200 -1.949 4.594) 5.132 8.221 ( -1.084 -1.518 -1.129) 2.180 8.887 ( -6.565 -4.990 -6.762) 10.664 11.818 ( -0.555 -10.116 0.294) 10.135 12.814 ( -8.668 -14.318 -7.765) 18.451 13.227 ( -4.127 -12.413 0.856) 13.109 14.321 ( 8.525 8.580 -0.195) 12.097 17.868 ( -6.033 -1.029 9.816) 11.567 18.160 ( 1.493 -0.104 -8.073) 8.211======================= Grid point 778 (265/344) =======================q-point: ( 0.60 0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.650 ( 9.889 10.394 1.806) 14.460 2.908 ( 5.143 19.901 4.172) 20.974 3.135 ( 8.348 1.408 -6.184) 10.484 3.869 ( 9.557 11.544 -4.344) 15.603 4.995 ( 6.495 9.835 4.867) 12.751 5.268 ( -2.539 7.661 -0.798) 8.110 6.000 ( 1.507 -3.951 2.518) 4.922 6.163 ( 1.918 -0.727 4.993) 5.398 6.449 ( -5.004 -1.936 1.973) 5.716 8.040 ( -2.290 -2.427 1.273) 3.571 8.231 ( 2.384 0.871 -1.885) 3.162 8.684 ( -7.689 -6.709 -5.102) 11.409 11.694 ( -4.162 -6.408 0.903) 7.694 12.500 ( -10.114 -13.543 -4.968) 17.618 13.116 ( -0.079 -4.164 0.376) 4.181 14.581 ( 8.557 15.654 -0.016) 17.840 17.745 ( -10.376 -2.268 7.263) 12.867 18.092 ( 2.091 -13.591 -5.966) 14.990======================= Grid point 779 (266/344) =======================q-point: ( 0.67 0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.893 ( 8.762 6.883 -0.924) 11.180 3.036 ( -5.465 10.668 0.858) 12.017 3.396 ( 14.320 10.779 -4.527) 18.486 4.086 ( 3.209 13.513 -4.872) 14.718 5.144 ( 0.516 5.564 2.811) 6.255 5.326 ( 4.872 -0.347 4.260) 6.481 5.952 ( -2.740 -5.507 -0.559) 6.176 6.172 ( -2.017 -1.125 3.505) 4.197 6.377 ( -1.729 -2.410 2.190) 3.687 8.028 ( 1.553 1.776 1.256) 2.673 8.263 ( 1.831 -2.242 -2.775) 4.010 8.505 ( -4.300 -5.086 -0.710) 6.698 11.600 ( -1.408 -2.196 1.533) 3.026 12.181 ( -11.773 -11.435 -2.846) 16.657 13.116 ( -1.648 5.365 -0.461) 5.631 14.901 ( 6.293 23.506 0.427) 24.338 17.527 ( -11.736 -7.499 4.779) 14.724 17.960 ( 5.908 -22.689 -4.320) 23.840======================= Grid point 780 (267/344) =======================q-point: ( 0.73 0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.996 ( -4.203 4.586 -3.434) 7.106 3.092 ( 4.796 5.805 1.714) 7.722 3.689 ( 6.339 15.235 -7.142) 17.980 4.202 ( -4.173 15.845 -4.602) 17.019 5.174 ( -0.627 0.544 3.335) 3.437 5.406 ( 5.327 -7.007 5.711) 10.492 5.807 ( -6.387 -4.025 -6.466) 9.940 6.109 ( -4.462 -2.211 5.316) 7.284 6.357 ( 2.309 -4.787 1.621) 5.557 8.124 ( 4.526 3.869 2.733) 6.552 8.215 ( -1.670 -3.767 -1.293) 4.319 8.460 ( 2.904 -3.141 0.420) 4.298 11.632 ( 4.774 1.077 2.326) 5.419 11.882 ( -10.995 -7.474 -2.157) 13.469 13.136 ( -6.311 12.204 -0.930) 13.771 15.213 ( -2.212 30.448 0.960) 30.543 17.277 ( -4.843 -14.966 2.768) 15.972 17.841 ( 10.022 -26.299 -3.053) 28.309======================= Grid point 781 (268/344) =======================q-point: (-0.20 0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.933 ( -6.693 3.365 -0.278) 7.497 3.216 ( 3.556 4.499 -1.607) 5.955 3.803 ( -7.117 13.232 -9.949) 18.020 4.251 ( -6.373 17.021 -3.655) 18.539 5.168 ( -0.329 -2.886 4.565) 5.410 5.384 ( -0.257 -7.614 2.420) 7.993 5.674 ( -2.042 -3.813 -4.958) 6.580 6.037 ( -3.563 -2.685 7.500) 8.727 6.360 ( 3.674 -6.387 1.398) 7.500 8.147 ( -2.760 0.183 1.722) 3.258 8.241 ( 3.133 0.705 1.764) 3.664 8.522 ( 8.230 -2.893 -1.630) 8.875 11.623 ( -4.738 -9.207 2.688) 10.697 11.838 ( 8.500 8.818 -2.451) 12.491 13.128 ( -9.604 14.285 -0.919) 17.238 15.357 ( -16.955 29.097 1.250) 33.700 17.158 ( 8.368 -14.888 2.009) 17.197 17.778 ( 13.920 -25.788 -2.473) 29.409======================= Grid point 791 (269/344) =======================q-point: ( 0.47 0.47 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.145 ( -0.000 11.673 2.386) 11.914 2.302 ( -0.000 10.998 10.119) 14.945 3.092 ( 0.000 17.764 -3.549) 18.115 3.296 ( 0.000 8.114 -2.058) 8.371 4.618 ( -0.000 18.600 3.604) 18.946 5.316 ( 0.000 17.788 -5.275) 18.554 5.956 ( -0.000 -6.672 4.576) 8.090 6.143 ( 0.000 -3.081 0.082) 3.082 6.614 ( 0.000 -10.559 -8.003) 13.249 8.184 ( -0.000 -7.009 8.331) 10.887 8.232 ( -0.000 6.605 0.703) 6.642 9.010 ( 0.000 -2.519 -5.653) 6.189 11.731 ( 0.000 -15.609 -0.600) 15.621 12.998 ( 0.000 -13.751 -9.307) 16.604 13.394 ( 0.000 -16.199 0.326) 16.203 14.065 ( -0.000 0.777 0.733) 1.068 17.877 ( 0.000 -5.612 -1.243) 5.748 18.251 ( -0.000 17.205 3.437) 17.545======================= Grid point 792 (270/344) =======================q-point: ( 0.53 0.47 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.347 ( 9.079 11.918 2.138) 15.134 2.492 ( 6.851 9.698 7.634) 14.116 3.176 ( -4.127 11.592 -2.325) 12.523 3.475 ( 10.531 8.267 -1.879) 13.519 4.818 ( 2.808 15.002 2.867) 15.530 5.437 ( -4.188 16.673 -5.255) 17.976 5.916 ( 1.932 -8.376 5.857) 10.402 6.116 ( 0.277 -1.352 2.120) 2.530 6.521 ( 1.007 -6.439 -5.018) 8.225 8.131 ( -2.667 -2.520 5.135) 6.311 8.271 ( -2.534 4.775 -0.037) 5.406 8.915 ( -4.845 -4.780 -7.009) 9.770 11.645 ( 6.139 -12.924 -0.351) 14.312 12.768 ( -6.766 -15.574 -8.075) 18.802 13.188 ( -5.092 -13.206 2.077) 14.305 14.195 ( 12.090 3.323 0.132) 12.539 17.832 ( 0.498 -5.187 -2.313) 5.701 18.332 ( -7.907 9.433 4.663) 13.162======================= Grid point 793 (271/344) =======================q-point: ( 0.60 0.47 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.625 ( 7.542 11.243 3.742) 14.046 2.793 ( 17.404 7.897 1.696) 19.187 3.199 ( -4.263 9.351 -0.402) 10.285 3.751 ( 13.451 7.384 -1.175) 15.389 5.008 ( 4.085 10.090 2.114) 11.088 5.457 ( -7.726 12.066 -4.488) 15.014 5.897 ( 3.555 -9.766 6.858) 12.452 6.154 ( 2.159 1.186 4.071) 4.758 6.467 ( -0.554 -3.807 -2.506) 4.592 8.081 ( -3.147 0.421 0.900) 3.300 8.261 ( -3.041 3.791 0.021) 4.860 8.725 ( -7.466 -6.601 -6.987) 12.171 11.641 ( 3.635 -7.520 0.128) 8.354 12.462 ( -6.731 -16.825 -5.839) 19.039 13.051 ( 0.643 -7.173 2.328) 7.569 14.500 ( 16.078 9.731 -0.310) 18.796 17.752 ( -1.418 -8.856 -2.059) 9.202 18.199 ( -15.661 1.715 3.829) 16.214======================= Grid point 794 (272/344) =======================q-point: ( 0.67 0.47 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.841 ( 6.346 7.707 2.841) 10.380 3.114 ( 7.636 0.654 -5.333) 9.337 3.297 ( 7.513 16.989 4.726) 19.168 4.045 ( 12.555 8.120 -0.723) 14.969 5.154 ( 3.821 4.512 1.509) 6.102 5.399 ( -7.988 6.424 -2.515) 10.555 5.878 ( 2.718 -10.307 6.281) 12.372 6.195 ( -0.202 0.239 1.764) 1.792 6.405 ( -2.668 -2.546 -0.691) 3.752 8.057 ( -1.443 3.951 -1.349) 4.417 8.242 ( -1.897 0.437 -0.592) 2.035 8.530 ( -5.621 -5.445 -3.417) 8.539 11.608 ( -1.245 -2.167 0.877) 2.648 12.188 ( -6.100 -15.405 -3.588) 16.953 13.099 ( 7.454 0.731 1.234) 7.591 14.908 ( 16.727 17.639 -0.257) 24.310 17.598 ( -2.779 -14.282 -1.404) 14.617 17.884 ( -19.795 -6.177 2.339) 20.868======================= Grid point 795 (273/344) =======================q-point: ( 0.73 0.47 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.005 ( 4.884 5.063 -0.022) 7.034 3.129 ( -1.360 1.259 -0.526) 1.926 3.679 ( 12.434 17.229 -0.271) 21.249 4.305 ( 7.263 10.699 -1.171) 12.984 5.220 ( -0.065 0.397 0.964) 1.045 5.315 ( -3.259 -1.902 0.405) 3.795 5.814 ( -1.622 -8.258 1.818) 8.610 6.162 ( -2.645 -1.651 0.183) 3.123 6.324 ( -2.881 -3.696 0.522) 4.715 8.114 ( 2.586 6.083 -0.076) 6.611 8.198 ( -1.301 -2.496 -1.264) 3.086 8.423 ( -1.900 -3.155 -0.176) 3.687 11.605 ( 1.089 2.393 1.500) 3.027 11.926 ( -7.424 -12.869 -2.122) 15.008 13.271 ( 5.388 8.860 0.183) 10.371 15.386 ( 14.494 25.627 0.117) 29.442 17.370 ( -11.355 -12.416 1.396) 16.883 17.485 ( -7.891 -21.276 -1.215) 22.725======================= Grid point 796 (274/344) =======================q-point: ( 0.80 0.47 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.056 ( -3.866 3.956 -0.701) 5.576 3.163 ( 4.568 0.557 0.292) 4.611 3.979 ( 2.696 17.004 -4.196) 17.720 4.471 ( -0.960 13.792 -2.103) 13.984 5.170 ( -2.984 -2.970 2.713) 5.009 5.269 ( 2.719 -9.514 2.116) 10.119 5.689 ( -4.507 -4.080 -3.824) 7.181 6.098 ( -3.207 -2.008 4.066) 5.554 6.259 ( 0.722 -5.958 0.906) 6.070 8.167 ( -0.053 -0.421 -0.237) 0.486 8.231 ( 2.775 5.249 1.425) 6.106 8.385 ( 2.198 -4.146 -1.413) 4.900 11.649 ( -5.433 -4.050 5.491) 8.722 11.749 ( 5.130 -0.683 -5.567) 7.601 13.401 ( -3.394 12.815 -0.087) 13.257 15.823 ( 0.552 30.669 0.797) 30.684 17.006 ( -9.892 -13.024 1.437) 16.418 17.285 ( 10.442 -28.063 -1.883) 30.002======================= Grid point 807 (275/344) =======================q-point: ( 0.53 0.53 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.354 ( -0.000 8.554 1.485) 8.681 2.580 ( -0.000 11.203 9.112) 14.441 3.324 ( -0.000 8.080 -0.286) 8.085 3.426 ( 0.000 6.456 -1.642) 6.661 4.940 ( -0.000 13.089 1.152) 13.140 5.625 ( 0.000 16.853 -6.452) 18.046 5.827 ( -0.000 -11.052 8.494) 13.939 6.093 ( -0.000 -2.391 0.922) 2.562 6.443 ( 0.000 -3.234 -3.983) 5.130 8.150 ( -0.000 -0.685 2.929) 3.008 8.347 ( -0.000 4.808 -0.007) 4.808 8.892 ( 0.000 -4.705 -7.596) 8.935 11.446 ( 0.000 -13.140 -0.310) 13.144 12.664 ( 0.000 -14.327 -7.466) 16.155 13.123 ( -0.000 -12.396 2.721) 12.691 14.083 ( -0.000 0.642 0.493) 0.809 17.796 ( 0.000 -1.214 -3.756) 3.947 18.501 ( -0.000 5.932 6.107) 8.514======================= Grid point 808 (276/344) =======================q-point: ( 0.60 0.53 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.540 ( 11.845 7.014 0.752) 13.787 2.736 ( 2.522 9.728 8.825) 13.374 3.342 ( -3.205 6.534 1.123) 7.364 3.592 ( 10.948 4.624 -0.389) 11.891 5.066 ( 1.277 9.628 -0.152) 9.714 5.681 ( -6.389 9.536 -5.904) 12.908 5.770 ( 1.920 -9.254 8.959) 13.023 6.116 ( 3.812 -0.523 1.464) 4.117 6.423 ( 0.655 -1.138 -2.011) 2.401 8.142 ( -2.036 1.611 0.309) 2.615 8.359 ( -3.129 3.670 -0.197) 4.827 8.761 ( -6.250 -5.110 -8.190) 11.500 11.427 ( 10.165 -9.154 -0.129) 13.680 12.422 ( -8.822 -14.323 -5.889) 17.823 12.996 ( -2.031 -8.585 3.349) 9.436 14.257 ( 17.516 2.886 -0.067) 17.752 17.742 ( -4.056 -2.105 -3.609) 5.823 18.470 ( -10.537 1.949 5.432) 12.014======================= Grid point 809 (277/344) =======================q-point: ( 0.67 0.53 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.813 ( 9.731 4.472 2.120) 10.917 2.927 ( 9.760 6.512 2.579) 12.013 3.393 ( 0.586 8.686 4.792) 9.937 3.856 ( 15.365 3.661 1.041) 15.830 5.160 ( 1.366 5.326 -1.146) 5.617 5.597 ( -7.931 2.659 -3.536) 9.081 5.754 ( 1.792 -7.130 7.903) 10.794 6.173 ( 2.610 -1.305 -1.070) 3.108 6.415 ( -0.981 0.083 -0.348) 1.044 8.127 ( -2.154 4.115 -2.096) 5.096 8.312 ( -4.930 0.670 -1.141) 5.104 8.576 ( -6.819 -3.137 -4.759) 8.887 11.551 ( 8.672 -1.626 0.411) 8.832 12.114 ( -7.403 -14.830 -4.156) 17.088 12.962 ( 5.164 -4.039 2.765) 7.115 14.675 ( 24.987 8.098 -0.576) 26.272 17.579 ( -9.071 -6.623 -3.101) 11.652 18.228 ( -20.214 -1.368 4.232) 20.697======================= Grid point 810 (278/344) =======================q-point: ( 0.73 0.53 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.962 ( 5.341 1.248 3.176) 6.338 3.116 ( 4.542 3.798 -2.821) 6.559 3.618 ( 11.942 11.554 7.092) 18.067 4.169 ( 16.136 4.263 2.026) 16.812 5.200 ( 0.376 0.774 -1.958) 2.139 5.453 ( -9.541 0.366 -3.415) 10.141 5.736 ( 1.391 -7.839 7.308) 10.807 6.158 ( -0.278 -3.321 -4.168) 5.337 6.368 ( -4.562 -0.528 -0.750) 4.653 8.150 ( 0.257 5.963 -2.415) 6.438 8.217 ( -3.751 -2.156 -1.382) 4.542 8.461 ( -4.857 -0.162 0.109) 4.861 11.643 ( -0.010 5.439 0.278) 5.446 11.879 ( -3.268 -14.071 -1.535) 14.527 13.125 ( 14.659 0.639 1.141) 14.717 15.222 ( 27.366 13.567 -0.776) 30.554 17.303 ( -10.846 -12.329 -2.404) 16.596 17.810 ( -27.345 -3.938 3.012) 27.790======================= Grid point 823 (279/344) =======================q-point: ( 0.60 0.60 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.494 ( -0.000 4.911 1.256) 5.069 2.849 ( -0.000 8.836 11.953) 14.865 3.429 ( -0.000 2.776 2.824) 3.960 3.522 ( 0.000 4.379 -1.388) 4.594 5.136 ( 0.000 7.180 -1.496) 7.334 5.646 ( -0.000 -12.662 9.749) 15.980 5.854 ( 0.000 10.617 -8.135) 13.375 6.064 ( -0.000 -1.512 1.659) 2.245 6.419 ( -0.000 1.413 0.612) 1.540 8.171 ( 0.000 1.218 -1.091) 1.635 8.415 ( 0.000 2.611 -0.948) 2.778 8.751 ( 0.000 -3.072 -9.632) 10.110 11.232 ( 0.000 -8.661 0.119) 8.662 12.380 ( 0.000 -9.785 -5.291) 11.124 12.952 ( -0.000 -7.580 3.897) 8.523 14.095 ( -0.000 0.407 0.177) 0.444 17.770 ( 0.000 0.750 -3.563) 3.641 18.590 ( -0.000 0.260 5.020) 5.026======================= Grid point 824 (280/344) =======================q-point: ( 0.67 0.60 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.634 ( 10.821 2.520 0.200) 11.112 2.962 ( 0.448 5.656 12.066) 13.333 3.463 ( 0.270 4.501 4.339) 6.258 3.655 ( 10.971 2.271 0.153) 11.205 5.187 ( 0.369 3.814 -2.317) 4.478 5.569 ( 0.983 -11.654 8.680) 14.565 5.845 ( -6.304 6.007 -5.640) 10.375 6.097 ( 3.333 -1.385 -1.460) 3.894 6.443 ( -0.322 2.384 2.264) 3.304 8.167 ( -0.415 0.620 -2.805) 2.902 8.393 ( -4.473 0.688 -2.572) 5.205 8.653 ( -5.153 0.455 -7.215) 8.878 11.296 ( 14.425 -4.358 0.225) 15.071 12.173 ( -11.861 -7.215 -4.073) 14.468 12.894 ( -0.148 -4.554 3.924) 6.013 14.301 ( 21.746 1.643 -0.305) 21.810 17.697 ( -8.123 -0.409 -3.177) 8.731 18.504 ( -11.545 -1.139 4.123) 12.312======================= Grid point 825 (281/344) =======================q-point: (-0.27 -0.40 -0.80)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.833 ( 10.107 -1.552 -0.553) 10.241 3.082 ( 4.678 4.845 7.021) 9.729 3.571 ( 5.615 4.238 8.308) 10.887 3.919 ( 16.769 2.345 2.138) 17.066 5.204 ( -0.200 0.889 -3.247) 3.372 5.499 ( -0.679 -8.732 4.272) 9.744 5.758 ( -6.354 1.204 -0.932) 6.534 6.098 ( 0.766 -3.333 -5.130) 6.165 6.446 ( -3.349 1.687 1.374) 3.993 8.159 ( 0.853 -1.055 -3.538) 3.789 8.283 ( -5.977 0.976 -3.932) 7.221 8.575 ( -5.570 4.107 -1.036) 6.997 11.568 ( 16.878 0.875 1.464) 16.964 11.879 ( -13.084 -4.517 -3.730) 14.335 12.924 ( 7.105 -1.922 2.897) 7.910 14.784 ( 31.499 3.179 -0.881) 31.671 17.470 ( -15.512 -2.420 -2.638) 15.920 18.218 ( -21.891 -1.743 3.208) 22.193======================= Grid point 839 (282/344) =======================q-point: (-0.33 -0.33 -0.80)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.559 ( -0.000 0.924 1.122) 1.453 3.042 ( -0.000 0.316 15.664) 15.668 3.512 ( -0.000 4.419 4.831) 6.547 3.577 ( 0.000 2.175 -1.169) 2.469 5.199 ( 0.000 0.838 -2.500) 2.637 5.483 ( -0.000 -10.105 8.576) 13.254 5.929 ( 0.000 3.448 -9.793) 10.382 6.056 ( -0.000 -0.619 2.065) 2.155 6.482 ( -0.000 2.842 3.585) 4.575 8.144 ( 0.000 -2.520 -4.780) 5.403 8.439 ( 0.000 0.714 -1.522) 1.681 8.686 ( 0.000 3.594 -9.853) 10.488 11.119 ( -0.000 -2.959 0.357) 2.981 12.242 ( 0.000 -1.065 -3.546) 3.702 12.878 ( -0.000 -2.968 4.433) 5.335 14.100 ( 0.000 -0.014 -0.053) 0.055 17.764 ( 0.000 0.544 -3.109) 3.156 18.603 ( -0.000 -1.344 3.723) 3.958======================= Grid point 840 (283/344) =======================q-point: (-0.27 -0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.644 ( 8.895 -1.567 0.076) 9.033 3.079 ( 1.709 -3.033 13.854) 14.285 3.567 ( 0.836 1.588 5.408) 5.698 3.712 ( 11.425 4.228 2.132) 12.368 5.191 ( 0.354 -1.196 -3.120) 3.360 5.425 ( 0.592 -8.351 6.466) 10.578 5.866 ( -5.326 0.347 -6.672) 8.544 6.058 ( -0.272 -1.323 -1.082) 1.731 6.512 ( -1.314 2.230 3.282) 4.180 8.100 ( 0.852 -3.900 -5.839) 7.073 8.383 ( -5.450 0.561 -2.983) 6.238 8.686 ( -2.356 6.517 -5.718) 8.984 11.257 ( 16.405 0.036 0.432) 16.411 12.112 ( -13.658 3.653 -3.023) 14.457 12.872 ( 0.261 -0.497 4.301) 4.338 14.313 ( 23.337 -0.134 -0.460) 23.342 17.673 ( -9.622 -0.295 -2.994) 10.081 18.502 ( -11.847 -1.050 3.364) 12.360======================= Grid point 855 (284/344) =======================q-point: (-0.27 -0.27 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.543 ( -0.000 -3.216 0.889) 3.336 3.045 ( -0.000 -9.988 15.120) 18.121 3.590 ( 0.000 -0.104 -0.963) 0.969 3.672 ( -0.000 6.453 8.339) 10.544 5.156 ( 0.000 -2.854 -3.384) 4.427 5.367 ( -0.000 -6.752 5.409) 8.652 5.871 ( 0.000 -2.792 -8.603) 9.045 6.068 ( -0.000 0.439 2.244) 2.287 6.556 ( -0.000 1.924 4.003) 4.441 8.030 ( 0.000 -4.131 -7.290) 8.379 8.423 ( 0.000 -1.184 -1.740) 2.105 8.749 ( 0.000 8.387 -8.387) 11.861 11.125 ( -0.000 3.312 0.434) 3.340 12.296 ( 0.000 8.712 -2.863) 9.171 12.898 ( -0.000 1.941 4.809) 5.186 14.094 ( 0.000 -0.528 -0.136) 0.545 17.736 ( 0.000 -1.560 -3.371) 3.714 18.608 ( -0.000 -0.291 3.660) 3.671======================= Grid point 968 (285/344) =======================q-point: ( 0.27 0.27 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 344Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.969 ( -0.000 0.000 20.198) 20.198 0.969 ( -0.000 0.000 20.198) 20.198 1.797 ( -0.000 0.000 39.698) 39.698 2.900 ( 0.000 -0.000 -4.867) 4.867 2.900 ( 0.000 -0.000 -4.867) 4.867 4.942 ( 0.000 -0.000 -11.787) 11.787 6.297 ( -0.000 0.000 0.249) 0.249 6.297 ( -0.000 0.000 0.249) 0.249 7.918 ( 0.000 -0.000 -2.113) 2.113 7.918 ( 0.000 -0.000 -2.113) 2.113 8.833 ( 0.000 -0.000 -3.200) 3.200 10.978 ( -0.000 0.000 2.240) 2.240 12.520 ( -0.000 0.000 1.391) 1.391 12.520 ( -0.000 0.000 1.391) 1.391 14.035 ( 0.000 -0.000 -0.399) 0.399 14.035 ( 0.000 -0.000 -0.399) 0.399 14.866 ( 0.000 -0.000 -0.971) 0.971 18.747 ( -0.000 0.000 0.023) 0.023======================= Grid point 969 (286/344) =======================q-point: ( 0.33 0.27 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.104 ( 8.882 5.128 16.900) 19.768 1.282 ( 13.170 7.604 19.070) 24.391 1.992 ( 10.735 6.198 25.419) 28.280 2.933 ( 3.698 2.135 -4.567) 6.252 3.095 ( 16.950 9.786 -0.514) 19.579 4.892 ( -0.659 -0.381 -11.532) 11.558 6.256 ( -2.758 -1.593 0.206) 3.192 6.288 ( -0.848 -0.489 0.140) 0.989 7.606 ( -27.925 -16.122 1.727) 32.291 7.951 ( 2.841 1.640 -1.956) 3.820 8.882 ( 4.148 2.395 -3.295) 5.813 9.681 ( -53.652 -30.976 23.649) 66.312 12.449 ( -6.102 -3.523 1.296) 7.165 13.509 ( 24.068 13.896 -24.476) 37.033 13.991 ( -3.258 -1.881 -0.647) 3.817 14.048 ( 0.692 0.400 -0.363) 0.878 15.548 ( 57.352 33.112 -6.499) 66.542 18.651 ( -6.158 -3.555 -1.123) 7.199======================= Grid point 970 (287/344) =======================q-point: ( 0.40 0.27 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.423 ( 14.359 8.290 11.315) 20.073 1.596 ( 10.826 6.250 19.412) 23.089 2.469 ( 24.881 14.365 4.068) 29.017 3.027 ( 5.776 3.335 -3.818) 7.685 3.566 ( 22.921 13.234 5.298) 26.992 4.861 ( 1.588 0.917 -9.725) 9.896 6.202 ( -1.840 -1.063 -1.026) 2.360 6.261 ( -1.448 -0.836 -0.204) 1.685 6.877 ( -32.495 -18.761 7.530) 38.270 8.028 ( 4.416 2.549 -1.399) 5.287 8.901 ( -7.519 -4.341 6.126) 10.626 9.051 ( -10.064 -5.810 2.670) 11.923 12.265 ( -10.422 -6.017 0.978) 12.074 13.536 ( -6.658 -3.844 -15.955) 17.711 13.879 ( -6.659 -3.844 -2.021) 7.950 14.062 ( 0.635 0.366 -0.217) 0.764 16.692 ( 38.914 22.467 -1.056) 44.947 18.556 ( 0.279 0.161 -8.016) 8.022======================= Grid point 971 (288/344) =======================q-point: ( 0.47 0.27 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.784 ( 14.712 8.494 6.930) 18.347 1.942 ( 15.321 8.846 12.721) 21.790 3.020 ( 23.321 13.464 -7.501) 27.954 3.155 ( 6.432 3.713 -2.826) 7.946 4.105 ( 22.418 12.943 8.373) 27.207 4.915 ( 5.631 3.251 -5.747) 8.678 6.129 ( -6.152 -3.552 -2.552) 7.548 6.224 ( -1.680 -0.970 -0.777) 2.089 6.382 ( -11.533 -6.658 9.801) 16.535 8.131 ( 4.899 2.828 -0.472) 5.676 8.649 ( -12.893 -7.444 6.784) 16.361 8.968 ( -2.965 -1.712 -4.950) 6.018 12.004 ( -12.750 -7.361 0.508) 14.732 13.260 ( -13.078 -7.550 -9.700) 17.948 13.682 ( -9.994 -5.770 -2.224) 11.752 14.073 ( 0.445 0.257 -0.045) 0.515 17.269 ( 13.895 8.022 9.743) 18.771 18.613 ( 6.765 3.906 -13.161) 15.304======================= Grid point 972 (289/344) =======================q-point: ( 0.53 0.27 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.108 ( 12.434 7.179 3.754) 14.840 2.344 ( 17.461 10.081 5.340) 20.857 3.288 ( 5.954 3.437 -1.694) 7.080 3.421 ( 15.195 8.773 -13.800) 22.322 4.586 ( 17.358 10.021 7.652) 21.454 5.070 ( 8.823 5.094 1.613) 10.315 5.987 ( -3.671 -2.119 2.793) 5.076 6.183 ( -1.656 -0.956 -1.421) 2.382 6.334 ( 1.030 0.595 4.100) 4.270 8.236 ( 4.337 2.504 0.561) 5.040 8.395 ( -10.786 -6.227 2.176) 12.644 8.843 ( -6.977 -4.028 -1.670) 8.228 11.715 ( -12.831 -7.408 0.027) 14.816 12.918 ( -14.904 -8.605 -5.135) 17.960 13.437 ( -10.789 -6.229 -2.355) 12.679 14.082 ( 0.318 0.184 0.078) 0.375 17.492 ( 5.046 2.913 9.978) 11.555 18.710 ( 4.518 2.609 -10.690) 11.895======================= Grid point 973 (290/344) =======================q-point: ( 0.60 0.27 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.356 ( 8.845 5.107 1.384) 10.307 2.738 ( 16.779 9.688 -1.370) 19.424 3.406 ( 4.878 2.816 -0.484) 5.653 3.601 ( 5.570 3.216 -15.958) 17.205 4.906 ( 9.912 5.723 3.953) 12.109 5.318 ( 10.716 6.187 11.279) 16.742 5.963 ( -0.868 -0.501 -0.109) 1.008 6.142 ( -1.503 -0.868 -1.925) 2.592 6.387 ( 2.707 1.563 0.180) 3.130 8.210 ( -5.569 -3.215 0.648) 6.463 8.324 ( 3.225 1.862 1.328) 3.953 8.666 ( -8.662 -5.001 4.309) 10.891 11.446 ( -10.910 -6.299 -0.302) 12.602 12.581 ( -13.630 -7.869 -1.845) 15.846 13.203 ( -9.023 -5.210 -2.711) 10.766 14.089 ( 0.307 0.177 0.123) 0.375 17.607 ( 3.161 1.825 6.878) 7.787 18.733 ( 0.333 0.192 -7.051) 7.062======================= Grid point 974 (291/344) =======================q-point: ( 0.67 0.27 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.510 ( 4.773 2.756 -0.268) 5.518 3.066 ( 13.380 7.725 -8.545) 17.656 3.501 ( 3.537 2.042 0.570) 4.124 3.594 ( -0.703 -0.406 -13.461) 13.486 5.087 ( 5.446 3.144 3.414) 7.155 5.560 ( 5.314 3.068 13.969) 15.257 5.888 ( -4.179 -2.413 -7.192) 8.661 6.105 ( -1.165 -0.673 -2.203) 2.581 6.454 ( 3.543 2.046 -2.532) 4.811 8.149 ( -1.257 -0.726 0.807) 1.661 8.388 ( 1.969 1.137 1.681) 2.828 8.527 ( -4.731 -2.731 11.821) 13.022 11.237 ( -7.364 -4.251 -0.422) 8.513 12.322 ( -8.755 -5.055 0.449) 10.119 13.025 ( -5.941 -3.430 -3.242) 7.588 14.096 ( 0.241 0.139 0.118) 0.302 17.686 ( 2.221 1.282 4.427) 5.116 18.693 ( -1.713 -0.989 -4.733) 5.130======================= Grid point 975 (292/344) =======================q-point: ( 0.73 0.27 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.570 ( 0.813 0.469 -1.044) 1.404 3.207 ( 1.049 0.605 -17.253) 17.296 3.565 ( 1.908 1.101 1.107) 2.465 3.569 ( 3.661 2.114 -6.554) 7.799 5.170 ( 0.873 0.504 3.234) 3.387 5.543 ( -7.442 -4.296 -1.918) 8.804 5.851 ( 1.366 0.789 4.350) 4.628 6.078 ( -0.532 -0.307 -2.292) 2.373 6.518 ( 2.905 1.677 -3.752) 5.033 8.100 ( -3.893 -2.247 3.840) 5.912 8.422 ( 0.582 0.336 1.759) 1.883 8.572 ( 4.384 2.531 13.015) 13.965 11.123 ( -2.546 -1.470 -0.428) 2.971 12.214 ( -1.005 -0.580 2.063) 2.367 12.920 ( -2.316 -1.337 -3.958) 4.777 14.099 ( -0.044 -0.026 0.113) 0.124 17.732 ( 0.711 0.411 3.238) 3.340 18.640 ( -1.540 -0.889 -3.653) 4.063======================= Grid point 984 (293/344) =======================q-point: ( 0.33 0.33 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.263 ( -0.000 12.959 13.858) 18.973 1.310 ( -0.000 22.386 16.735) 27.950 2.002 ( -0.000 -1.368 25.340) 25.377 2.898 ( 0.000 3.691 -4.622) 5.915 3.131 ( -0.000 23.132 0.252) 23.133 4.861 ( 0.000 0.594 -11.850) 11.865 6.240 ( -0.000 -5.422 0.821) 5.484 6.288 ( -0.000 -1.088 0.146) 1.098 7.745 ( 0.000 -15.044 -3.474) 15.440 7.919 ( 0.000 2.145 -1.528) 2.634 8.872 ( 0.000 4.982 -3.137) 5.887 9.689 ( -0.000 -70.771 23.395) 74.537 12.476 ( -0.000 -6.069 0.940) 6.142 13.426 ( 0.000 27.408 -20.880) 34.456 14.022 ( 0.000 -1.525 -1.491) 2.133 14.026 ( 0.000 -0.035 -0.093) 0.099 15.541 ( -0.000 67.736 -5.922) 67.994 18.612 ( 0.000 -13.070 0.470) 13.078======================= Grid point 985 (294/344) =======================q-point: ( 0.40 0.33 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.451 ( 3.319 16.313 10.668) 19.772 1.641 ( 4.020 16.247 18.992) 25.315 2.224 ( 17.226 8.268 6.843) 20.296 2.979 ( 4.918 6.071 -4.159) 8.851 3.476 ( 10.933 24.695 4.858) 27.440 4.836 ( -0.016 3.014 -10.400) 10.828 6.191 ( 0.326 -4.758 0.913) 4.856 6.257 ( -1.821 -2.468 -0.318) 3.084 7.291 ( -28.616 -16.903 0.610) 33.241 7.969 ( 3.353 1.897 -1.564) 4.158 8.911 ( -0.093 -2.619 0.647) 2.699 9.107 ( -8.343 -28.073 12.230) 31.737 12.356 ( -5.939 -7.424 0.826) 9.543 13.500 ( -0.948 -1.925 -15.791) 15.936 13.924 ( -5.340 -5.404 -1.382) 7.722 14.056 ( 1.411 0.866 -0.671) 1.787 16.470 ( 27.233 55.761 -5.342) 62.285 18.470 ( 0.395 -12.424 -2.529) 12.685======================= Grid point 986 (295/344) =======================q-point: ( 0.47 0.33 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.745 ( 8.966 15.981 7.384) 19.756 1.914 ( 5.708 14.112 15.729) 21.889 2.684 ( 23.260 9.515 -5.725) 25.775 3.137 ( 6.075 10.270 -3.994) 12.583 3.959 ( 16.580 20.793 8.018) 27.776 4.868 ( 2.526 5.882 -7.146) 9.594 6.166 ( -4.248 -3.404 -1.684) 5.698 6.176 ( 1.786 -4.812 0.911) 5.213 6.707 ( -24.686 -5.342 6.080) 25.978 8.055 ( 5.453 1.334 -1.094) 5.720 8.711 ( -6.416 -18.283 7.946) 20.942 8.986 ( -1.945 0.291 -4.899) 5.279 12.151 ( -10.511 -6.575 0.741) 12.420 13.312 ( -7.893 -9.783 -10.325) 16.267 13.736 ( -7.215 -9.956 -1.596) 12.398 14.090 ( 0.723 3.024 -0.310) 3.125 17.231 ( 13.138 27.600 6.700) 31.293 18.423 ( 8.302 -6.456 -10.829) 15.095======================= Grid point 987 (296/344) =======================q-point: ( 0.53 0.33 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.081 ( 8.638 17.140 3.607) 19.530 2.221 ( 10.830 12.049 9.325) 18.693 3.067 ( 17.213 2.515 -7.706) 19.026 3.356 ( 7.132 14.894 -6.703) 17.822 4.447 ( 16.310 15.568 8.058) 23.945 4.991 ( 6.531 6.641 -1.661) 9.462 6.036 ( -4.128 -3.706 1.050) 5.645 6.187 ( 1.121 -0.516 -0.874) 1.512 6.435 ( -10.226 1.865 6.910) 12.482 8.161 ( 5.869 0.495 0.090) 5.891 8.460 ( -6.974 -13.153 1.651) 14.979 8.901 ( -5.101 -3.086 -2.975) 6.663 11.894 ( -13.445 -4.462 0.513) 14.175 13.012 ( -11.377 -12.248 -5.594) 17.628 13.496 ( -7.860 -11.434 -2.013) 14.020 14.137 ( -0.598 6.516 -0.005) 6.543 17.532 ( 0.663 9.891 11.791) 15.404 18.519 ( 11.742 -4.165 -12.993) 18.001======================= Grid point 988 (297/344) =======================q-point: ( 0.60 0.33 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.361 ( 4.150 16.211 1.828) 16.833 2.563 ( 14.480 9.792 1.594) 17.552 3.282 ( 10.445 0.471 -4.945) 11.566 3.570 ( 3.881 13.381 -10.310) 17.332 4.820 ( 10.459 9.705 4.265) 14.892 5.210 ( 11.583 5.327 7.074) 14.580 5.988 ( -1.559 0.447 1.165) 1.997 6.176 ( -2.322 1.038 -1.286) 2.850 6.383 ( -1.110 1.130 3.624) 3.955 8.206 ( -1.250 -7.998 2.312) 8.419 8.302 ( 1.518 -0.496 -2.471) 2.942 8.749 ( -6.702 -6.066 1.616) 9.183 11.635 ( -13.878 -1.135 0.256) 13.927 12.674 ( -12.060 -13.606 -1.867) 18.277 13.257 ( -7.218 -9.406 -2.666) 12.152 14.194 ( -2.944 11.209 0.214) 11.591 17.613 ( -0.300 1.966 8.790) 9.012 18.597 ( 8.005 -7.267 -9.192) 14.191======================= Grid point 989 (298/344) =======================q-point: ( 0.67 0.33 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.545 ( 0.471 13.174 0.503) 13.192 2.880 ( 13.467 7.026 -5.419) 16.127 3.418 ( 6.921 1.279 -4.136) 8.164 3.662 ( -2.903 11.320 -9.065) 14.790 5.036 ( 6.249 5.243 2.913) 8.662 5.487 ( 11.385 2.122 12.092) 16.743 5.928 ( -5.435 -1.447 -5.442) 7.826 6.133 ( -3.133 0.630 -0.402) 3.221 6.413 ( 2.352 1.130 -0.519) 2.660 8.130 ( 1.041 -4.137 1.725) 4.602 8.353 ( 2.479 -0.424 -0.117) 2.518 8.601 ( -4.500 -5.790 7.170) 10.256 11.425 ( -12.574 4.088 0.027) 13.222 12.355 ( -8.655 -14.381 0.686) 16.799 13.063 ( -5.719 -5.872 -3.267) 8.824 14.253 ( -6.081 16.001 0.350) 17.121 17.644 ( 2.081 -3.112 5.527) 6.676 18.592 ( 4.942 -10.099 -6.004) 12.746======================= Grid point 990 (299/344) =======================q-point: ( 0.73 0.33 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.637 ( -2.850 9.878 -0.270) 10.285 3.081 ( 7.609 1.991 -11.617) 14.029 3.517 ( 4.047 3.611 -6.110) 8.170 3.668 ( -5.427 11.097 -3.020) 12.717 5.160 ( 2.951 2.014 3.231) 4.818 5.609 ( -3.822 -4.198 2.702) 6.288 5.815 ( 1.597 -1.549 -1.838) 2.886 6.088 ( -2.280 -0.207 0.398) 2.324 6.468 ( 3.227 0.927 -2.569) 4.227 8.139 ( -0.316 -0.702 2.627) 2.737 8.361 ( 2.442 -5.048 3.786) 6.766 8.577 ( 2.242 -0.582 7.965) 8.295 11.298 ( -10.864 10.404 -0.246) 15.044 12.140 ( -0.408 -13.825 2.380) 14.035 12.933 ( -3.554 -2.559 -3.807) 5.803 14.297 ( -9.333 19.348 0.425) 21.486 17.663 ( 4.141 -6.830 3.585) 8.755 18.545 ( 4.207 -11.121 -4.154) 12.595======================= Grid point 1000 (300/344) =======================q-point: ( 0.40 0.40 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.604 ( -0.000 14.511 6.898) 16.067 1.865 ( -0.000 16.618 20.300) 26.234 2.186 ( -0.000 15.740 1.130) 15.781 2.981 ( 0.000 7.329 -3.274) 8.027 3.670 ( -0.000 28.138 4.601) 28.512 4.847 ( 0.000 6.150 -9.868) 11.627 6.137 ( -0.000 -5.415 1.622) 5.652 6.256 ( 0.000 -2.232 -0.070) 2.233 7.322 ( 0.000 -22.575 -9.207) 24.381 7.983 ( -0.000 5.030 -0.298) 5.039 8.807 ( -0.000 -26.825 14.506) 30.497 9.003 ( -0.000 -2.024 0.577) 2.105 12.303 ( 0.000 -11.873 0.058) 11.873 13.443 ( 0.000 -4.576 -12.940) 13.725 13.919 ( 0.000 -7.953 -2.719) 8.405 14.033 ( -0.000 0.577 0.468) 0.743 16.824 ( 0.000 60.872 -5.923) 61.160 18.317 ( 0.000 -16.094 0.854) 16.117======================= Grid point 1001 (301/344) =======================q-point: ( 0.47 0.40 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.800 ( 4.730 14.586 5.599) 16.324 2.067 ( 2.307 12.257 16.554) 20.727 2.486 ( 11.300 19.788 -5.480) 23.437 3.108 ( 6.458 9.280 -2.829) 11.655 4.013 ( 7.130 25.366 5.845) 26.990 4.896 ( 0.365 9.580 -7.877) 12.408 6.106 ( 1.209 -4.723 1.653) 5.148 6.200 ( -3.335 -2.720 -0.571) 4.341 6.961 ( -13.082 -15.100 -5.351) 20.683 8.023 ( -0.063 4.371 0.196) 4.376 8.602 ( -1.233 -21.279 11.482) 24.210 9.004 ( -0.996 1.388 -4.184) 4.519 12.169 ( -1.833 -11.984 0.052) 12.124 13.294 ( -5.063 -9.486 -9.746) 14.512 13.744 ( -6.940 -11.945 -1.517) 13.897 14.082 ( 3.288 2.129 -0.074) 3.917 17.414 ( 7.288 41.151 0.709) 41.797 18.195 ( 3.474 -12.937 -2.846) 13.695======================= Grid point 1002 (302/344) =======================q-point: ( 0.53 0.40 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.084 ( 9.670 15.067 3.976) 18.339 2.305 ( 4.096 15.570 10.539) 19.243 2.821 ( 13.048 10.315 -7.727) 18.340 3.340 ( 9.088 12.639 -3.497) 15.955 4.412 ( 11.116 19.825 6.550) 23.654 4.991 ( 1.774 10.440 -4.569) 11.533 6.057 ( -2.230 -4.044 0.470) 4.642 6.154 ( 1.001 -0.516 0.709) 1.331 6.654 ( -11.328 -4.219 1.697) 12.207 8.083 ( 3.286 2.233 0.374) 3.991 8.411 ( -3.663 -15.423 4.211) 16.402 8.941 ( -4.295 -2.308 -4.721) 6.787 12.007 ( -5.698 -8.838 0.376) 10.523 13.043 ( -8.693 -12.064 -6.416) 16.195 13.489 ( -7.078 -13.785 -0.883) 15.521 14.177 ( 3.461 6.059 -0.144) 6.979 17.749 ( -5.003 17.770 12.339) 22.205 18.201 ( 12.409 -7.600 -12.532) 19.204======================= Grid point 1003 (303/344) =======================q-point: ( 0.60 0.40 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.416 ( 11.170 14.619 -0.080) 18.398 2.552 ( 2.375 17.293 7.032) 18.818 3.071 ( 12.526 2.845 -6.938) 14.599 3.599 ( 6.897 14.339 -5.061) 16.697 4.779 ( 9.876 13.811 4.731) 17.625 5.127 ( 5.515 7.064 0.923) 9.009 6.017 ( -0.739 0.339 1.103) 1.370 6.186 ( 1.627 0.287 0.358) 1.690 6.488 ( -7.490 -0.693 4.317) 8.673 8.150 ( 1.401 -4.002 3.271) 5.355 8.239 ( -0.390 -6.180 -3.403) 7.066 8.796 ( -6.171 -5.960 -2.191) 8.855 11.813 ( -9.067 -5.055 0.595) 10.398 12.738 ( -11.305 -12.840 -2.931) 17.357 13.259 ( -5.480 -10.402 -1.420) 11.843 14.316 ( 2.838 11.630 0.113) 11.972 17.752 ( -8.884 4.273 10.627) 14.495 18.301 ( 11.746 -9.777 -10.445) 18.511======================= Grid point 1004 (304/344) =======================q-point: ( 0.67 0.40 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.707 ( 4.915 15.525 -4.077) 16.787 2.757 ( 3.935 12.245 4.169) 13.521 3.269 ( 11.066 2.279 -5.753) 12.678 3.791 ( 0.936 14.704 -5.628) 15.772 5.015 ( 4.687 8.310 1.890) 9.726 5.333 ( 11.441 1.889 7.175) 13.637 5.992 ( -4.047 -0.322 -2.380) 4.706 6.193 ( -1.734 0.653 0.467) 1.910 6.412 ( -2.156 -0.484 2.777) 3.549 8.073 ( 0.116 -5.454 2.007) 5.813 8.281 ( 4.644 -0.657 -2.368) 5.254 8.629 ( -5.152 -7.359 2.089) 9.222 11.636 ( -8.304 -0.395 0.659) 8.340 12.404 ( -12.674 -12.832 -0.158) 18.036 13.097 ( -5.068 -3.975 -2.253) 6.823 14.492 ( 0.184 18.655 0.443) 18.661 17.654 ( -6.110 -3.385 6.586) 9.601 18.319 ( 8.902 -15.643 -6.802) 19.241======================= Grid point 1005 (305/344) =======================q-point: ( 0.73 0.40 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.825 ( -4.579 13.161 -0.289) 13.938 2.960 ( 7.379 6.425 -4.221) 10.656 3.451 ( 7.506 6.455 -6.523) 11.855 3.882 ( -4.926 15.171 -4.206) 16.496 5.142 ( 3.069 3.628 2.506) 5.372 5.537 ( 8.965 -3.883 7.903) 12.566 5.840 ( -8.472 -2.454 -8.551) 12.285 6.151 ( -3.824 -0.043 3.095) 4.920 6.415 ( 2.143 -0.897 -0.174) 2.330 8.101 ( 4.491 -0.372 3.163) 5.505 8.302 ( 0.678 -4.407 0.467) 4.484 8.536 ( 0.879 -4.725 3.668) 6.045 11.553 ( -5.330 6.972 0.139) 8.777 12.084 ( -9.876 -13.276 1.897) 16.655 12.990 ( -5.557 1.741 -2.754) 6.442 14.668 ( -5.531 25.539 0.726) 26.141 17.543 ( -0.643 -10.555 3.947) 11.287 18.272 ( 8.386 -19.016 -4.544) 21.274======================= Grid point 1016 (306/344) =======================q-point: ( 0.47 0.47 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.907 ( -0.000 13.532 2.448) 13.751 2.157 ( -0.000 7.148 12.038) 14.000 2.648 ( -0.000 26.564 -1.644) 26.615 3.124 ( 0.000 8.773 -1.932) 8.983 4.217 ( -0.000 24.322 4.528) 24.740 4.982 ( 0.000 13.677 -7.703) 15.697 6.059 ( -0.000 -4.069 2.088) 4.573 6.203 ( 0.000 -2.990 0.004) 2.990 6.846 ( 0.000 -17.334 -11.900) 21.025 8.102 ( -0.000 6.813 0.643) 6.843 8.459 ( -0.000 -17.684 12.978) 21.935 9.012 ( 0.000 0.642 -4.185) 4.234 12.033 ( 0.000 -15.279 -0.593) 15.291 13.212 ( 0.000 -11.043 -8.201) 13.755 13.689 ( 0.000 -13.727 -1.779) 13.842 14.052 ( -0.000 0.808 0.781) 1.123 17.725 ( 0.000 34.161 -8.216) 35.135 18.067 ( -0.000 -9.098 8.507) 12.456======================= Grid point 1017 (307/344) =======================q-point: ( 0.53 0.47 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.102 ( 6.618 13.848 2.630) 15.572 2.332 ( 7.442 8.977 6.855) 13.526 2.869 ( -0.811 19.611 -1.378) 19.676 3.286 ( 8.702 10.179 -1.411) 13.466 4.493 ( 4.914 20.152 4.233) 21.170 5.096 ( -0.904 15.476 -6.602) 16.849 6.033 ( 0.348 -3.956 1.599) 4.281 6.156 ( -1.411 -1.860 0.949) 2.520 6.665 ( -0.716 -10.508 -7.357) 12.847 8.134 ( -3.105 5.792 2.163) 6.918 8.336 ( -1.669 -12.805 7.186) 14.778 8.966 ( -3.184 -2.341 -5.336) 6.640 11.910 ( 2.527 -14.062 -0.399) 14.293 13.022 ( -5.602 -13.021 -6.584) 15.629 13.470 ( -7.010 -14.783 0.009) 16.360 14.133 ( 6.717 3.019 0.171) 7.366 17.927 ( 7.426 -1.072 -13.605) 15.537 18.079 ( -6.830 14.814 15.039) 22.187======================= Grid point 1018 (308/344) =======================q-point: ( 0.60 0.47 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.387 ( 8.967 14.080 2.727) 16.914 2.613 ( 12.207 11.305 2.972) 16.901 2.998 ( -0.442 11.156 -1.915) 11.328 3.562 ( 11.036 11.479 -1.205) 15.969 4.783 ( 7.541 14.580 3.692) 16.825 5.192 ( -1.974 12.797 -4.614) 13.746 6.014 ( 0.921 -1.945 1.337) 2.534 6.160 ( 1.682 -0.128 2.964) 3.410 6.554 ( -2.115 -5.618 -1.993) 6.325 8.141 ( -2.054 -0.722 5.013) 5.466 8.208 ( -2.877 -3.827 -1.570) 5.038 8.828 ( -5.878 -5.829 -4.947) 9.643 11.819 ( -0.183 -10.174 0.005) 10.176 12.752 ( -7.560 -14.625 -4.475) 17.061 13.236 ( -4.715 -11.387 0.969) 12.363 14.319 ( 8.534 8.526 -0.172) 12.064 17.919 ( 1.541 -8.686 -1.494) 8.948 18.123 ( -6.452 8.032 2.728) 10.657======================= Grid point 1019 (309/344) =======================q-point: ( 0.67 0.47 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.661 ( 8.061 11.293 0.535) 13.885 2.950 ( 6.263 19.016 3.395) 20.306 3.080 ( 6.174 2.010 -4.009) 7.631 3.840 ( 8.148 12.493 -1.508) 14.991 5.030 ( 6.064 9.442 1.927) 11.385 5.261 ( 1.001 6.461 -0.513) 6.558 6.017 ( -0.024 -2.251 0.901) 2.424 6.198 ( 0.989 0.177 1.790) 2.053 6.463 ( -3.238 -3.247 0.702) 4.639 8.051 ( -2.570 -3.958 0.732) 4.776 8.215 ( 1.704 1.832 -1.006) 2.697 8.649 ( -5.688 -7.467 -1.788) 9.555 11.700 ( -3.815 -6.326 0.343) 7.395 12.466 ( -8.901 -14.082 -1.764) 16.752 13.119 ( -1.136 -3.316 0.122) 3.507 14.581 ( 8.810 15.551 -0.003) 17.873 17.802 ( -7.946 -5.690 3.563) 10.402 18.044 ( -0.772 -9.941 -3.111) 10.445======================= Grid point 1020 (310/344) =======================q-point: ( 0.73 0.47 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.871 ( 5.738 8.073 -3.000) 10.349 3.065 ( -4.119 8.751 4.337) 10.600 3.347 ( 12.728 12.750 -5.153) 18.738 4.051 ( 1.930 14.391 -2.035) 14.662 5.160 ( 0.821 5.569 0.394) 5.643 5.367 ( 7.775 -2.094 3.833) 8.918 5.930 ( -6.769 -3.823 -3.900) 8.697 6.197 ( -0.986 -1.063 1.247) 1.912 6.395 ( -1.538 -2.843 1.386) 3.517 8.042 ( 2.965 0.994 1.533) 3.483 8.243 ( 1.476 -2.061 -0.978) 2.717 8.508 ( -2.631 -5.923 1.231) 6.597 11.610 ( -1.264 -1.888 0.392) 2.306 12.168 ( -10.938 -12.316 0.332) 16.476 13.109 ( -2.414 6.136 -0.880) 6.652 14.905 ( 6.625 23.430 0.372) 24.351 17.570 ( -12.118 -8.482 3.807) 15.273 17.917 ( 5.927 -21.565 -4.068) 22.732======================= Grid point 1032 (311/344) =======================q-point: ( 0.53 0.53 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.161 ( -0.000 11.643 0.754) 11.667 2.387 ( -0.000 10.858 6.174) 12.491 3.085 ( -0.000 17.457 2.678) 17.661 3.279 ( 0.000 8.092 -1.280) 8.193 4.650 ( -0.000 17.800 2.659) 17.998 5.252 ( 0.000 18.339 -7.533) 19.826 5.994 ( -0.000 -4.794 2.895) 5.600 6.147 ( -0.000 -2.868 0.657) 2.943 6.532 ( 0.000 -8.082 -8.226) 11.532 8.238 ( -0.000 6.423 0.453) 6.439 8.265 ( -0.000 -9.816 7.877) 12.585 8.952 ( 0.000 -3.387 -5.946) 6.843 11.725 ( 0.000 -15.518 -0.587) 15.529 12.921 ( 0.000 -14.032 -5.903) 15.223 13.398 ( 0.000 -14.872 0.509) 14.881 14.072 ( -0.000 0.697 0.668) 0.966 17.816 ( 0.000 -2.074 -9.583) 9.805 18.335 ( -0.000 14.086 11.860) 18.414======================= Grid point 1033 (312/344) =======================q-point: ( 0.60 0.53 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.364 ( 10.048 11.440 1.303) 15.282 2.553 ( 4.666 10.856 4.141) 12.521 3.177 ( -4.662 11.629 2.738) 12.825 3.467 ( 10.692 8.391 0.653) 13.607 4.840 ( 3.144 13.908 1.503) 14.338 5.372 ( -3.585 16.734 -7.707) 18.769 5.964 ( 1.351 -5.487 3.661) 6.733 6.139 ( 1.653 -1.145 2.324) 3.073 6.471 ( 1.936 -5.073 -5.028) 7.400 8.180 ( -3.234 -5.651 4.582) 7.961 8.270 ( -2.878 5.323 -0.024) 6.051 8.845 ( -4.793 -5.642 -6.757) 10.023 11.642 ( 6.255 -12.844 -0.374) 14.291 12.703 ( -6.330 -15.721 -4.933) 17.651 13.209 ( -4.890 -12.286 2.196) 13.404 14.196 ( 11.717 3.262 0.037) 12.163 17.782 ( 1.322 -3.679 -7.121) 8.124 18.404 ( -8.985 7.972 9.084) 15.059======================= Grid point 1034 (313/344) =======================q-point: ( 0.67 0.53 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.665 ( 8.113 11.758 4.231) 14.899 2.791 ( 13.936 7.635 -2.097) 16.028 3.218 ( -3.887 10.547 4.048) 11.947 3.754 ( 13.061 7.766 1.905) 15.314 5.022 ( 4.616 8.861 0.449) 10.001 5.402 ( -6.201 11.957 -6.430) 14.926 5.956 ( 2.581 -6.687 4.889) 8.677 6.185 ( 2.276 0.190 2.098) 3.101 6.440 ( 0.488 -3.448 -2.806) 4.473 8.085 ( -4.172 -1.472 -0.343) 4.438 8.265 ( -3.143 4.045 0.944) 5.209 8.665 ( -6.013 -7.052 -4.971) 10.516 11.641 ( 3.884 -7.424 -0.273) 8.383 12.418 ( -5.844 -16.902 -2.971) 18.128 13.074 ( -0.041 -6.760 2.345) 7.155 14.496 ( 16.053 9.634 -0.402) 18.727 17.714 ( -0.389 -8.409 -5.301) 9.948 18.252 ( -17.059 1.254 6.378) 18.255======================= Grid point 1048 (314/344) =======================q-point: ( 0.60 0.60 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.364 ( -0.000 8.793 0.589) 8.812 2.662 ( -0.000 12.978 6.957) 14.725 3.355 ( -0.000 7.554 6.629) 10.050 3.412 ( 0.000 6.367 -1.099) 6.461 4.945 ( -0.000 12.027 -0.203) 12.029 5.543 ( 0.000 16.413 -9.866) 19.150 5.900 ( -0.000 -7.952 6.138) 10.046 6.105 ( -0.000 -2.171 1.535) 2.658 6.411 ( 0.000 -1.226 -2.462) 2.751 8.177 ( -0.000 -3.041 2.572) 3.983 8.344 ( 0.000 4.460 -0.563) 4.495 8.812 ( 0.000 -5.726 -8.448) 10.206 11.444 ( 0.000 -12.956 -0.113) 12.956 12.605 ( 0.000 -14.429 -4.438) 15.096 13.150 ( -0.000 -11.519 2.703) 11.832 14.087 ( -0.000 0.523 0.332) 0.620 17.745 ( 0.000 0.192 -6.275) 6.278 18.573 ( -0.000 4.293 8.161) 9.221======================= Grid point 1049 (315/344) =======================q-point: (-0.33 -0.40 -0.73)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.546 ( 11.533 6.780 0.350) 13.383 2.817 ( 0.633 12.059 7.335) 14.129 3.372 ( -3.032 6.643 4.490) 8.572 3.603 ( 11.609 4.123 3.027) 12.686 5.058 ( 1.410 8.671 -1.493) 8.911 5.598 ( -5.457 11.517 -10.159) 16.298 5.859 ( 1.856 -8.684 8.270) 12.134 6.127 ( 3.502 -1.640 0.805) 3.950 6.411 ( 0.296 0.778 -0.410) 0.927 8.140 ( -2.778 0.008 -0.535) 2.830 8.356 ( -2.680 2.980 -0.483) 4.037 8.679 ( -5.013 -5.517 -8.295) 11.153 11.426 ( 10.087 -8.995 -0.085) 13.515 12.376 ( -8.394 -14.262 -3.410) 16.896 13.030 ( -2.171 -8.211 3.422) 9.156 14.256 ( 17.189 2.810 -0.221) 17.419 17.697 ( -3.873 -1.063 -5.113) 6.502 18.530 ( -10.886 0.664 6.366) 12.628======================= Grid point 1064 (316/344) =======================q-point: (-0.33 -0.33 -0.73)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.505 ( -0.000 5.086 0.844) 5.156 2.967 ( -0.000 11.576 11.345) 16.209 3.484 ( -0.000 1.425 8.382) 8.502 3.509 ( 0.000 4.331 -1.083) 4.464 5.116 ( 0.000 6.610 -2.543) 7.083 5.677 ( 0.000 -0.277 -7.148) 7.153 5.818 ( -0.000 -0.654 4.465) 4.512 6.083 ( -0.000 -1.426 2.109) 2.546 6.432 ( -0.000 2.910 1.825) 3.435 8.159 ( 0.000 -0.395 -1.212) 1.275 8.403 ( 0.000 2.417 -1.435) 2.811 8.645 ( 0.000 -3.551 -11.575) 12.108 11.234 ( 0.000 -8.562 0.297) 8.567 12.339 ( 0.000 -9.709 -2.920) 10.139 12.990 ( -0.000 -7.177 3.693) 8.072 14.096 ( -0.000 0.321 0.032) 0.323 17.730 ( 0.000 1.593 -4.387) 4.668 18.643 ( -0.000 -0.882 5.350) 5.422======================= Grid point 1209 (317/344) =======================q-point: ( 0.33 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 344Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.150 ( -0.000 0.000 16.116) 16.116 1.150 ( -0.000 0.000 16.116) 16.116 2.162 ( -0.000 0.000 33.367) 33.367 2.851 ( 0.000 -0.000 -4.832) 4.832 2.851 ( 0.000 -0.000 -4.832) 4.832 4.818 ( 0.000 -0.000 -12.875) 12.875 6.299 ( -0.000 0.000 0.221) 0.221 6.299 ( -0.000 0.000 0.221) 0.221 7.898 ( 0.000 -0.000 -1.844) 1.844 7.898 ( 0.000 -0.000 -1.844) 1.844 8.805 ( 0.000 -0.000 -2.446) 2.446 10.999 ( -0.000 0.000 1.783) 1.783 12.533 ( -0.000 0.000 1.216) 1.216 12.533 ( -0.000 0.000 1.216) 1.216 14.031 ( 0.000 -0.000 -0.356) 0.356 14.031 ( 0.000 -0.000 -0.356) 0.356 14.857 ( 0.000 -0.000 -0.843) 0.843 18.748 ( -0.000 0.000 0.020) 0.020======================= Grid point 1210 (318/344) =======================q-point: ( 0.40 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.259 ( 7.252 4.187 14.036) 16.344 1.449 ( 15.222 8.788 14.354) 22.693 2.205 ( 1.189 0.686 16.804) 16.860 2.888 ( 3.965 2.289 -4.406) 6.354 3.108 ( 19.914 11.497 3.306) 23.231 4.775 ( 0.106 0.061 -11.609) 11.609 6.259 ( -2.936 -1.695 0.250) 3.400 6.289 ( -0.939 -0.542 0.113) 1.090 7.622 ( -24.584 -14.193 1.581) 28.431 7.932 ( 2.941 1.698 -1.836) 3.861 8.853 ( 4.110 2.373 -2.577) 5.401 9.869 ( -53.722 -31.017 14.618) 63.732 12.462 ( -6.161 -3.557 1.272) 7.226 13.314 ( 22.978 13.266 -15.199) 30.578 13.987 ( -3.530 -2.038 -0.129) 4.078 14.043 ( 0.722 0.417 -0.489) 0.966 15.501 ( 54.142 31.259 -3.361) 62.608 18.641 ( -7.672 -4.430 -0.866) 8.901======================= Grid point 1211 (319/344) =======================q-point: ( 0.47 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.529 ( 12.479 7.205 9.756) 17.401 1.781 ( 9.774 5.643 17.759) 21.042 2.466 ( 19.418 11.211 -4.545) 22.878 2.991 ( 6.181 3.568 -3.441) 7.923 3.635 ( 24.055 13.888 8.032) 28.915 4.770 ( 2.937 1.696 -8.283) 8.951 6.193 ( -2.760 -1.593 -0.916) 3.315 6.259 ( -1.653 -0.954 -0.204) 1.919 6.957 ( -30.662 -17.703 8.578) 36.430 8.014 ( 4.726 2.729 -1.468) 5.651 8.922 ( 1.297 0.749 -0.456) 1.566 9.095 ( -22.311 -12.881 4.668) 26.182 12.275 ( -10.596 -6.117 1.097) 12.284 13.400 ( -4.468 -2.580 -11.150) 12.286 13.868 ( -7.148 -4.127 -0.334) 8.261 14.058 ( 0.729 0.421 -0.473) 0.966 16.690 ( 44.237 25.540 0.639) 51.084 18.482 ( -3.733 -2.155 -6.844) 8.088======================= Grid point 1212 (320/344) =======================q-point: ( 0.53 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.848 ( 13.253 7.652 5.785) 16.361 2.067 ( 12.004 6.930 12.187) 18.457 2.917 ( 21.250 12.269 -12.648) 27.605 3.130 ( 6.875 3.969 -2.184) 8.234 4.190 ( 22.364 12.912 8.005) 27.036 4.871 ( 7.885 4.552 -2.876) 9.548 6.109 ( -4.826 -2.787 -1.627) 5.806 6.216 ( -1.970 -1.138 -0.748) 2.395 6.487 ( -12.889 -7.441 11.227) 18.643 8.125 ( 5.373 3.102 -0.713) 6.245 8.688 ( -14.918 -8.613 0.529) 17.234 8.933 ( -1.920 -1.109 -1.514) 2.685 12.010 ( -12.995 -7.503 0.727) 15.023 13.181 ( -11.385 -6.573 -6.084) 14.486 13.668 ( -10.374 -5.990 -0.732) 12.001 14.071 ( 0.557 0.322 -0.359) 0.737 17.373 ( 16.048 9.265 11.220) 21.663 18.476 ( 6.118 3.532 -14.357) 16.001======================= Grid point 1213 (321/344) =======================q-point: ( 0.60 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.141 ( 11.377 6.568 2.673) 13.406 2.393 ( 14.313 8.264 4.105) 17.030 3.275 ( 6.392 3.691 -0.854) 7.430 3.277 ( 14.340 8.279 -14.422) 21.959 4.647 ( 15.922 9.193 4.088) 18.834 5.105 ( 12.597 7.273 5.428) 15.525 6.008 ( -3.111 -1.796 1.321) 3.828 6.169 ( -1.933 -1.116 -1.388) 2.629 6.385 ( -1.538 -0.888 6.134) 6.386 8.240 ( 4.809 2.776 0.241) 5.558 8.389 ( -11.048 -6.379 -3.318) 13.181 8.851 ( -5.437 -3.139 2.986) 6.952 11.716 ( -13.063 -7.542 0.271) 15.087 12.882 ( -13.688 -7.903 -1.890) 15.919 13.417 ( -11.206 -6.470 -1.576) 13.035 14.081 ( 0.409 0.236 -0.223) 0.523 17.597 ( 3.486 2.013 11.075) 11.784 18.594 ( 6.672 3.852 -12.592) 14.762======================= Grid point 1214 (322/344) =======================q-point: ( 0.67 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.365 ( 8.127 4.692 0.437) 9.394 2.714 ( 13.937 8.046 -3.595) 16.490 3.405 ( 5.257 3.035 0.334) 6.080 3.454 ( 5.815 3.357 -13.015) 14.645 4.935 ( 9.793 5.654 1.910) 11.468 5.435 ( 12.982 7.495 11.739) 19.039 5.947 ( -3.758 -2.170 -3.170) 5.375 6.123 ( -1.680 -0.970 -1.890) 2.708 6.394 ( 0.867 0.500 1.185) 1.551 8.201 ( -4.509 -2.603 -1.981) 5.570 8.336 ( 3.530 2.038 1.033) 4.205 8.729 ( -6.481 -3.742 7.909) 10.888 11.444 ( -11.053 -6.382 -0.105) 12.764 12.577 ( -12.931 -7.465 1.143) 14.975 13.176 ( -9.370 -5.410 -2.703) 11.151 14.089 ( 0.365 0.211 -0.115) 0.437 17.677 ( 1.679 0.969 7.112) 7.372 18.656 ( 1.999 1.154 -8.239) 8.556======================= Grid point 1225 (323/344) =======================q-point: ( 0.40 0.40 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.379 ( -0.000 10.656 9.243) 14.106 1.460 ( -0.000 22.228 13.228) 25.866 2.209 ( -0.000 -8.740 16.013) 18.243 2.856 ( 0.000 4.060 -3.632) 5.447 3.149 ( -0.000 25.765 3.231) 25.967 4.744 ( 0.000 1.396 -11.156) 11.243 6.249 ( -0.000 -4.893 0.782) 4.955 6.289 ( -0.000 -1.169 0.113) 1.175 7.712 ( 0.000 -17.222 -3.099) 17.499 7.907 ( 0.000 2.507 -0.886) 2.659 8.845 ( 0.000 4.773 -2.237) 5.271 9.874 ( -0.000 -66.982 14.287) 68.489 12.483 ( 0.000 -6.349 0.474) 6.367 13.263 ( 0.000 25.891 -12.302) 28.665 14.010 ( 0.000 -2.566 -1.111) 2.796 14.027 ( -0.000 0.180 0.130) 0.222 15.498 ( -0.000 63.508 -3.129) 63.585 18.616 ( 0.000 -12.683 0.501) 12.693======================= Grid point 1226 (324/344) =======================q-point: ( 0.47 0.40 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.540 ( 3.821 13.835 7.212) 16.063 1.815 ( 5.846 18.608 15.631) 24.995 2.256 ( 10.740 1.644 -0.110) 10.865 2.943 ( 4.762 6.407 -3.008) 8.531 3.533 ( 12.463 25.022 6.162) 28.625 4.739 ( 0.858 3.874 -8.681) 9.544 6.200 ( -0.300 -4.114 0.802) 4.203 6.254 ( -2.019 -2.831 -0.227) 3.484 7.296 ( -22.897 -19.683 0.355) 30.196 7.956 ( 2.958 2.371 -1.105) 3.949 8.902 ( 1.759 2.691 -1.385) 3.501 9.218 ( -14.596 -34.302 9.007) 38.351 12.363 ( -5.616 -7.777 0.556) 9.609 13.372 ( -0.186 -0.410 -9.816) 9.826 13.914 ( -5.028 -6.123 -0.633) 7.948 14.051 ( 1.313 0.996 -0.368) 1.689 16.429 ( 29.950 56.899 -2.941) 64.367 18.451 ( -2.903 -12.938 -1.366) 13.330======================= Grid point 1227 (325/344) =======================q-point: ( 0.53 0.40 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.806 ( 8.415 14.442 4.838) 17.401 2.069 ( 3.338 12.133 15.021) 19.596 2.599 ( 21.457 9.442 -10.902) 25.853 3.103 ( 5.821 9.947 -2.712) 11.840 4.035 ( 17.291 20.419 6.665) 27.574 4.809 ( 4.337 6.685 -4.348) 9.077 6.151 ( -4.383 -2.620 -1.422) 5.300 6.184 ( 1.046 -4.840 0.728) 5.004 6.770 ( -20.891 -7.994 6.670) 23.341 8.044 ( 5.589 1.656 -1.118) 5.935 8.769 ( -9.870 -19.017 3.310) 21.680 8.944 ( -1.191 0.458 -2.966) 3.229 12.158 ( -10.427 -6.790 0.682) 12.462 13.231 ( -6.629 -8.805 -5.822) 12.465 13.727 ( -7.321 -10.395 -0.497) 12.724 14.087 ( 0.798 3.152 -0.306) 3.266 17.298 ( 18.380 30.725 6.573) 36.401 18.322 ( 3.542 -7.849 -9.358) 12.717======================= Grid point 1228 (326/344) =======================q-point: ( 0.60 0.40 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.108 ( 8.326 15.328 1.847) 17.541 2.308 ( 7.399 11.041 7.659) 15.340 2.977 ( 18.207 4.505 -9.771) 21.148 3.304 ( 5.268 13.684 -3.701) 15.123 4.509 ( 15.428 14.995 3.942) 21.873 4.992 ( 9.875 7.417 2.157) 12.537 6.043 ( -3.215 -2.830 0.414) 4.303 6.177 ( 0.281 -0.615 -1.019) 1.222 6.508 ( -10.223 -0.063 7.852) 12.891 8.159 ( 6.517 1.030 -0.532) 6.619 8.453 ( -9.059 -12.914 -3.042) 16.065 8.891 ( -3.126 -3.773 1.085) 5.019 11.900 ( -13.574 -4.494 0.567) 14.310 12.974 ( -10.065 -11.624 -1.866) 15.489 13.480 ( -8.256 -11.917 -1.145) 14.542 14.137 ( -0.544 6.701 -0.106) 6.724 17.655 ( -0.055 9.552 12.987) 16.121 18.382 ( 12.640 -2.839 -14.503) 19.447======================= Grid point 1229 (327/344) =======================q-point: ( 0.67 0.40 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.370 ( 4.293 15.422 0.120) 16.009 2.573 ( 10.653 8.998 -0.132) 13.945 3.225 ( 11.977 0.727 -6.102) 13.462 3.493 ( 2.214 13.910 -4.955) 14.931 4.844 ( 9.864 9.510 0.850) 13.729 5.289 ( 14.805 5.597 8.559) 17.993 5.988 ( -3.119 -0.517 -1.198) 3.381 6.160 ( -2.164 1.385 -1.915) 3.205 6.423 ( -3.564 0.318 4.495) 5.746 8.213 ( -3.927 -7.673 -1.306) 8.718 8.277 ( 5.060 0.372 -1.878) 5.410 8.785 ( -4.155 -6.751 5.192) 9.476 11.638 ( -14.116 -0.999 0.347) 14.156 12.671 ( -11.131 -13.345 1.426) 17.436 13.232 ( -7.612 -9.802 -2.401) 12.641 14.196 ( -2.959 11.454 0.087) 11.831 17.701 ( -2.057 0.772 8.760) 9.031 18.500 ( 9.722 -5.614 -10.048) 15.067======================= Grid point 1241 (328/344) =======================q-point: ( 0.47 0.47 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.652 ( -0.000 13.104 2.651) 13.370 2.053 ( -0.000 24.571 16.066) 29.358 2.173 ( 0.000 3.604 -2.450) 4.358 2.955 ( 0.000 7.657 -1.711) 7.845 3.717 ( -0.000 28.219 4.261) 28.538 4.756 ( 0.000 6.874 -7.970) 10.525 6.154 ( -0.000 -5.130 1.703) 5.406 6.255 ( 0.000 -2.292 0.016) 2.292 7.230 ( 0.000 -25.656 -9.341) 27.304 7.983 ( -0.000 5.413 0.323) 5.423 8.891 ( -0.000 -6.982 3.138) 7.655 9.043 ( -0.000 -22.584 6.828) 23.594 12.301 ( 0.000 -12.128 -0.400) 12.135 13.342 ( 0.000 -3.540 -7.341) 8.150 13.896 ( 0.000 -8.237 -1.971) 8.470 14.039 ( -0.000 0.740 0.649) 0.984 16.771 ( -0.000 61.340 -4.702) 61.520 18.336 ( -0.000 -15.242 2.838) 15.504======================= Grid point 1242 (329/344) =======================q-point: ( 0.53 0.47 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.838 ( 5.688 13.973 1.956) 15.212 2.210 ( 2.637 6.273 9.763) 11.901 2.431 ( 7.849 23.281 -3.186) 24.774 3.087 ( 6.086 9.540 -1.171) 11.377 4.064 ( 7.974 25.048 3.872) 26.570 4.825 ( 1.425 9.930 -5.797) 11.586 6.122 ( 0.855 -4.775 1.601) 5.108 6.195 ( -3.717 -2.407 -0.472) 4.453 6.903 ( -7.126 -17.343 -6.313) 19.784 8.027 ( -0.571 5.176 0.566) 5.238 8.702 ( -4.370 -21.535 8.576) 23.588 8.965 ( -1.564 0.679 -3.590) 3.975 12.168 ( -1.431 -12.205 -0.253) 12.291 13.221 ( -4.593 -9.053 -4.863) 11.256 13.732 ( -6.406 -11.842 -0.912) 13.495 14.082 ( 2.915 2.257 0.134) 3.689 17.402 ( 12.485 41.539 -2.987) 43.478 18.194 ( -1.963 -11.661 2.589) 12.105======================= Grid point 1243 (330/344) =======================q-point: ( 0.60 0.47 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.111 ( 8.879 14.858 1.346) 17.361 2.392 ( 4.493 12.395 5.645) 14.341 2.753 ( 10.898 12.789 -4.687) 17.444 3.317 ( 7.980 12.847 -1.235) 15.174 4.461 ( 11.347 19.453 2.809) 22.694 4.957 ( 4.116 10.091 -2.031) 11.086 6.060 ( -2.181 -3.805 0.170) 4.389 6.160 ( 0.663 0.345 0.300) 0.806 6.665 ( -6.818 -6.431 0.559) 9.389 8.085 ( 2.641 3.383 0.097) 4.293 8.442 ( -6.947 -15.595 1.723) 17.159 8.907 ( -3.080 -3.195 -1.874) 4.817 12.009 ( -5.395 -8.982 0.134) 10.478 12.999 ( -7.579 -12.142 -2.245) 14.488 13.483 ( -7.467 -13.397 -0.288) 15.340 14.176 ( 3.498 6.071 -0.046) 7.007 17.859 ( 1.237 20.590 8.322) 22.242 18.090 ( 5.786 -9.355 -8.395) 13.837======================= Grid point 1244 (331/344) =======================q-point: ( 0.67 0.47 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.408 ( 8.982 14.635 -1.496) 17.237 2.609 ( 2.239 16.372 3.702) 16.934 3.011 ( 12.202 3.864 -4.444) 13.549 3.565 ( 5.452 14.833 -1.836) 15.910 4.803 ( 8.812 13.725 -0.026) 16.310 5.149 ( 9.508 6.097 3.537) 11.835 6.022 ( -1.154 0.177 -0.170) 1.180 6.181 ( 0.370 1.388 -1.316) 1.948 6.526 ( -5.892 -2.446 3.411) 7.234 8.175 ( 4.700 1.007 0.470) 4.829 8.203 ( -5.141 -9.956 -2.704) 11.527 8.794 ( -3.946 -7.121 1.751) 8.327 11.818 ( -8.924 -5.072 0.322) 10.269 12.726 ( -9.970 -13.256 0.716) 16.603 13.246 ( -6.439 -9.964 -1.168) 11.921 14.317 ( 3.003 11.635 0.148) 12.017 17.854 ( -10.512 2.089 9.487) 14.314 18.197 ( 12.954 -7.020 -10.061) 17.841======================= Grid point 1257 (332/344) =======================q-point: ( 0.53 0.53 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.916 ( -0.000 13.396 -0.595) 13.409 2.223 ( -0.000 6.630 0.396) 6.642 2.672 ( -0.000 26.109 7.412) 27.141 3.111 ( -0.000 8.732 -0.512) 8.747 4.253 ( -0.000 24.256 2.081) 24.345 4.910 ( 0.000 13.612 -6.382) 15.034 6.078 ( -0.000 -4.041 1.768) 4.411 6.205 ( -0.000 -2.849 0.326) 2.868 6.725 ( 0.000 -16.685 -12.357) 20.762 8.109 ( -0.000 6.836 0.809) 6.884 8.575 ( -0.000 -18.628 10.221) 21.248 8.972 ( 0.000 -0.283 -3.819) 3.830 12.026 ( 0.000 -15.310 -0.776) 15.329 13.153 ( 0.000 -11.114 -3.543) 11.665 13.674 ( 0.000 -13.089 -1.177) 13.142 14.060 ( -0.000 0.805 0.764) 1.110 17.615 ( 0.000 26.471 -12.539) 29.290 18.186 ( -0.000 -0.315 14.023) 14.027======================= Grid point 1258 (333/344) =======================q-point: ( 0.60 0.53 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.116 ( 7.781 14.045 0.318) 16.060 2.359 ( 6.728 9.214 -1.675) 11.531 2.892 ( -3.083 19.514 6.181) 20.701 3.282 ( 8.784 10.469 0.778) 13.688 4.522 ( 5.254 19.981 1.236) 20.697 5.033 ( 0.152 14.771 -5.717) 15.839 6.043 ( -0.370 -3.719 0.517) 3.773 6.166 ( -0.785 -0.927 1.126) 1.656 6.588 ( 2.543 -9.748 -8.046) 12.893 8.150 ( -2.560 6.473 1.197) 7.064 8.405 ( -4.382 -14.556 6.304) 16.457 8.918 ( -2.938 -3.325 -4.047) 6.006 11.905 ( 2.776 -14.068 -0.525) 14.349 12.977 ( -5.268 -13.535 -2.397) 14.720 13.472 ( -6.561 -13.871 0.476) 15.352 14.135 ( 6.348 2.979 0.170) 7.014 17.789 ( 8.070 3.404 -13.878) 16.411 18.233 ( -7.909 10.893 15.461) 20.500======================= Grid point 1273 (334/344) =======================q-point: (-0.40 -0.40 -0.67)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.160 ( -0.000 12.165 -1.060) 12.212 2.416 ( -0.000 13.048 -0.109) 13.048 3.150 ( -0.000 16.801 10.345) 19.731 3.272 ( -0.000 7.826 -0.220) 7.829 4.665 ( -0.000 17.460 0.121) 17.460 5.173 ( 0.000 17.470 -7.870) 19.161 6.012 ( -0.000 -3.729 0.712) 3.796 6.156 ( -0.000 -2.570 1.118) 2.802 6.454 ( 0.000 -5.029 -7.524) 9.050 8.241 ( -0.000 6.053 0.119) 6.054 8.338 ( -0.000 -11.867 6.563) 13.561 8.895 ( 0.000 -4.643 -5.418) 7.136 11.720 ( 0.000 -15.333 -0.470) 15.340 12.882 ( 0.000 -14.726 -1.976) 14.858 13.405 ( 0.000 -13.770 0.938) 13.802 14.077 ( -0.000 0.590 0.487) 0.765 17.709 ( 0.000 1.562 -11.361) 11.468 18.464 ( -0.000 10.503 13.410) 17.033======================= Grid point 1451 (335/344) =======================q-point: ( 0.40 0.40 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 344Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.284 ( -0.000 0.000 10.607) 10.607 1.284 ( -0.000 0.000 10.607) 10.607 2.447 ( -0.000 0.000 23.350) 23.350 2.808 ( 0.000 -0.000 -3.699) 3.699 2.808 ( 0.000 -0.000 -3.699) 3.699 4.698 ( 0.000 -0.000 -10.851) 10.851 6.301 ( -0.000 0.000 0.153) 0.153 6.301 ( -0.000 0.000 0.153) 0.153 7.883 ( 0.000 -0.000 -1.253) 1.253 7.883 ( 0.000 -0.000 -1.253) 1.253 8.785 ( 0.000 -0.000 -1.484) 1.484 11.013 ( -0.000 0.000 1.127) 1.127 12.544 ( -0.000 0.000 0.827) 0.827 12.544 ( -0.000 0.000 0.827) 0.827 14.028 ( 0.000 -0.000 -0.246) 0.246 14.028 ( 0.000 -0.000 -0.246) 0.246 14.850 ( 0.000 -0.000 -0.571) 0.571 18.748 ( -0.000 0.000 0.013) 0.013======================= Grid point 1452 (336/344) =======================q-point: ( 0.47 0.40 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.376 ( 6.578 3.798 9.437) 12.114 1.561 ( 17.241 9.954 7.974) 21.446 2.321 ( -6.419 -3.706 6.975) 10.178 2.849 ( 4.128 2.383 -3.234) 5.760 3.155 ( 22.370 12.915 5.380) 26.385 4.673 ( 0.951 0.549 -8.342) 8.414 6.260 ( -3.106 -1.793 0.052) 3.587 6.290 ( -1.011 -0.584 0.065) 1.169 7.639 ( -21.669 -12.511 1.833) 25.088 7.915 ( 2.909 1.680 -1.399) 3.639 8.833 ( 3.953 2.282 -1.472) 4.796 9.975 ( -53.385 -30.822 6.988) 62.039 12.473 ( -6.115 -3.530 1.030) 7.135 13.201 ( 21.263 12.276 -7.677) 25.724 13.988 ( -3.454 -1.994 0.265) 3.998 14.038 ( 0.669 0.386 -0.530) 0.937 15.477 ( 52.660 30.404 -1.508) 60.826 18.634 ( -8.823 -5.094 -0.707) 10.213======================= Grid point 1453 (337/344) =======================q-point: ( 0.53 0.40 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.611 ( 11.282 6.513 6.572) 14.591 1.944 ( 10.601 6.121 14.759) 19.175 2.385 ( 14.473 8.356 -11.295) 20.171 2.962 ( 6.531 3.771 -2.253) 7.871 3.709 ( 24.453 14.118 5.944) 28.855 4.707 ( 4.450 2.569 -3.920) 6.463 6.183 ( -3.491 -2.015 -1.153) 4.193 6.257 ( -1.830 -1.057 -0.167) 2.120 7.045 ( -28.063 -16.202 9.138) 33.668 8.000 ( 4.890 2.823 -1.286) 5.791 8.912 ( 2.757 1.592 -1.010) 3.339 9.124 ( -26.225 -15.141 0.580) 30.287 12.286 ( -10.674 -6.163 1.030) 12.368 13.319 ( -3.358 -1.939 -5.134) 6.434 13.870 ( -7.323 -4.228 0.633) 8.479 14.053 ( 0.765 0.441 -0.650) 1.096 16.704 ( 48.421 27.956 2.078) 55.950 18.421 ( -7.617 -4.398 -5.613) 10.434======================= Grid point 1454 (338/344) =======================q-point: ( 0.60 0.40 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.895 ( 12.150 7.015 3.547) 14.471 2.175 ( 8.725 5.037 8.920) 13.457 2.783 ( 21.029 12.141 -13.538) 27.802 3.114 ( 7.293 4.210 -0.999) 8.480 4.249 ( 21.610 12.476 3.225) 25.160 4.866 ( 10.241 5.912 2.078) 12.006 6.094 ( -3.945 -2.278 -1.496) 4.795 6.210 ( -2.248 -1.298 -0.589) 2.662 6.603 ( -13.804 -7.970 12.105) 20.014 8.117 ( 5.734 3.311 -0.833) 6.673 8.658 ( -16.083 -9.285 -6.195) 19.577 8.940 ( -0.952 -0.549 2.434) 2.671 12.018 ( -13.174 -7.606 0.823) 15.235 13.143 ( -10.231 -5.907 -1.425) 11.899 13.666 ( -10.839 -6.258 0.363) 12.522 14.067 ( 0.647 0.373 -0.614) 0.967 17.490 ( 18.821 10.867 12.323) 24.984 18.331 ( 3.997 2.308 -14.783) 15.487======================= Grid point 1467 (339/344) =======================q-point: ( 0.47 0.47 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.442 ( -0.000 8.889 3.217) 9.453 1.565 ( -0.000 22.260 7.458) 23.476 2.320 ( -0.000 -12.578 6.777) 14.288 2.830 ( 0.000 4.456 -1.559) 4.720 3.185 ( -0.000 27.041 3.170) 27.226 4.652 ( 0.000 1.898 -6.689) 6.953 6.255 ( -0.000 -4.344 0.554) 4.379 6.290 ( 0.000 -1.215 0.060) 1.216 7.684 ( 0.000 -19.511 -2.683) 19.695 7.902 ( -0.000 2.872 -0.091) 2.873 8.828 ( 0.000 4.551 -1.063) 4.674 9.978 ( -0.000 -63.901 6.740) 64.256 12.485 ( 0.000 -6.642 -0.075) 6.642 13.177 ( 0.000 24.146 -5.151) 24.689 14.000 ( 0.000 -3.216 -0.885) 3.335 14.029 ( -0.000 0.415 0.332) 0.531 15.476 ( -0.000 61.299 -1.365) 61.314 18.622 ( 0.000 -12.056 0.540) 12.068======================= Grid point 1468 (340/344) =======================q-point: ( 0.53 0.47 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.590 ( 5.264 11.683 2.568) 13.069 1.936 ( 10.513 22.932 7.329) 26.270 2.237 ( 2.301 -3.705 -2.268) 4.916 2.922 ( 4.351 6.839 -1.106) 8.181 3.582 ( 13.623 24.659 2.954) 28.327 4.676 ( 1.874 4.177 -3.559) 5.799 6.206 ( -1.189 -3.359 0.315) 3.578 6.253 ( -1.988 -3.146 -0.090) 3.722 7.298 ( -17.035 -22.780 0.124) 28.446 7.948 ( 2.250 2.904 -0.399) 3.696 8.891 ( 2.102 3.576 -0.590) 4.190 9.278 ( -18.320 -34.748 3.102) 39.404 12.367 ( -5.111 -8.162 0.196) 9.632 13.307 ( 0.081 0.115 -3.291) 3.294 13.911 ( -4.406 -6.716 -0.190) 8.034 14.048 ( 0.990 1.232 -0.125) 1.585 16.410 ( 31.895 56.894 -0.937) 65.231 18.442 ( -5.689 -12.491 -0.432) 13.732======================= Grid point 1469 (341/344) =======================q-point: ( 0.60 0.47 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.839 ( 8.584 12.944 1.643) 15.618 2.199 ( 0.585 9.626 10.041) 13.922 2.481 ( 21.170 12.153 -11.511) 26.988 3.086 ( 5.545 9.910 -0.827) 11.386 4.078 ( 17.467 19.897 1.457) 26.516 4.791 ( 6.408 6.788 0.874) 9.376 6.137 ( -4.483 -2.115 -1.446) 5.163 6.190 ( 0.370 -4.593 0.531) 4.638 6.837 ( -16.369 -11.203 6.752) 20.953 8.034 ( 5.370 1.916 -0.918) 5.775 8.766 ( -14.176 -17.374 -3.888) 22.759 8.937 ( 0.825 -0.386 1.511) 1.764 12.164 ( -10.195 -7.062 0.511) 12.412 13.199 ( -5.861 -8.399 -0.532) 10.256 13.726 ( -7.240 -10.924 0.286) 13.109 14.084 ( 0.711 3.380 -0.257) 3.463 17.359 ( 24.330 32.503 5.469) 40.967 18.242 ( -2.733 -8.660 -6.725) 11.300======================= Grid point 1483 (342/344) =======================q-point: ( 0.53 0.53 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.655 ( 0.000 12.576 -2.167) 12.761 2.067 ( 0.000 17.972 -9.568) 20.360 2.252 ( -0.000 9.131 14.862) 17.443 2.948 ( -0.000 7.744 0.361) 7.752 3.740 ( -0.000 28.198 -0.156) 28.198 4.700 ( 0.000 6.512 -2.719) 7.057 6.170 ( -0.000 -4.671 1.480) 4.900 6.256 ( 0.000 -2.249 0.100) 2.252 7.137 ( 0.000 -29.032 -9.348) 30.500 7.989 ( -0.000 5.631 0.882) 5.700 8.904 ( -0.000 1.636 0.668) 1.767 9.104 ( -0.000 -30.522 4.448) 30.845 12.295 ( 0.000 -12.288 -0.785) 12.313 13.299 ( 0.000 -3.378 -1.141) 3.566 13.880 ( 0.000 -8.425 -1.360) 8.534 14.046 ( -0.000 0.848 0.713) 1.107 16.731 ( -0.000 59.434 -3.406) 59.531 18.371 ( -0.000 -12.602 4.327) 13.324======================= Grid point 1694 (343/344) =======================q-point: ( 0.47 0.47 0.47)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 344Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.356 ( -0.000 0.000 3.736) 3.736 1.356 ( -0.000 0.000 3.736) 3.736 2.609 ( -0.000 0.000 8.631) 8.631 2.782 ( 0.000 -0.000 -1.410) 1.410 2.782 ( 0.000 -0.000 -1.410) 1.410 4.618 ( 0.000 -0.000 -4.434) 4.434 6.302 ( -0.000 0.000 0.055) 0.055 6.302 ( -0.000 0.000 0.055) 0.055 7.874 ( 0.000 -0.000 -0.444) 0.444 7.874 ( 0.000 -0.000 -0.444) 0.444 8.775 ( 0.000 -0.000 -0.491) 0.491 11.021 ( -0.000 0.000 0.383) 0.383 12.549 ( -0.000 0.000 0.293) 0.293 12.549 ( -0.000 0.000 0.293) 0.293 14.026 ( 0.000 -0.000 -0.088) 0.088 14.026 ( 0.000 -0.000 -0.088) 0.088 14.846 ( 0.000 -0.000 -0.202) 0.202 18.748 ( -0.000 0.000 0.005) 0.005======================= Grid point 1695 (344/344) =======================q-point: ( 0.53 0.47 0.47)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.441 ( 6.761 3.903 3.405) 8.517 1.602 ( 18.739 10.819 0.169) 21.638 2.353 ( -10.462 -6.040 -0.126) 12.081 2.827 ( 4.097 2.365 -1.046) 4.845 3.195 ( 23.318 13.462 1.731) 26.980 4.623 ( 1.553 0.897 -1.185) 2.149 6.259 ( -3.373 -1.948 -0.247) 3.903 6.290 ( -1.052 -0.607 0.004) 1.214 7.659 ( -19.121 -11.039 2.242) 22.192 7.905 ( 2.749 1.587 -0.718) 3.254 8.824 ( 3.872 2.235 -0.213) 4.476 10.010 ( -53.792 -31.057 0.103) 62.113 12.481 ( -5.970 -3.447 0.607) 6.921 13.158 ( 20.440 11.801 -1.208) 23.633 13.992 ( -3.192 -1.843 0.610) 3.736 14.033 ( 0.541 0.312 -0.475) 0.785 15.470 ( 52.363 30.232 -0.063) 60.463 18.627 ( -9.726 -5.616 -0.605) 11.247=================== 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 3/60750 10.0 6457.021 6457.021 19350.259 0.000 -0.000 -0.000 3/60750 20.0 1959.879 1959.879 1783.437 0.000 -0.000 -0.000 3/60750 30.0 683.697 683.697 478.321 0.000 -0.000 -0.000 3/60750 40.0 308.696 308.696 190.948 0.000 -0.000 -0.000 3/60750 50.0 172.086 172.086 97.018 0.000 -0.000 -0.000 3/60750 60.0 111.248 111.248 58.430 0.000 -0.000 -0.000 3/60750 70.0 79.536 79.536 39.670 0.000 -0.000 -0.000 3/60750 80.0 60.936 60.936 29.289 0.000 -0.000 -0.000 3/60750 90.0 49.019 49.019 22.944 0.000 -0.000 -0.000 3/60750 100.0 40.857 40.857 18.757 0.000 -0.000 -0.000 3/60750 110.0 34.972 34.972 15.826 0.000 -0.000 -0.000 3/60750 120.0 30.554 30.554 13.677 0.000 -0.000 -0.000 3/60750 130.0 27.130 27.130 12.042 0.000 -0.000 -0.000 3/60750 140.0 24.405 24.405 10.759 0.000 -0.000 -0.000 3/60750 150.0 22.189 22.189 9.729 0.000 -0.000 -0.000 3/60750 160.0 20.352 20.352 8.883 0.000 -0.000 -0.000 3/60750 170.0 18.807 18.807 8.178 0.000 -0.000 -0.000 3/60750 180.0 17.489 17.489 7.580 0.000 -0.000 -0.000 3/60750 190.0 16.351 16.351 7.067 0.000 -0.000 -0.000 3/60750 200.0 15.359 15.359 6.622 0.000 -0.000 -0.000 3/60750 210.0 14.486 14.486 6.232 0.000 -0.000 -0.000 3/60750 220.0 13.712 13.712 5.887 0.000 -0.000 -0.000 3/60750 230.0 13.020 13.020 5.580 0.000 -0.000 -0.000 3/60750 240.0 12.398 12.398 5.306 0.000 -0.000 -0.000 3/60750 250.0 11.835 11.835 5.058 0.000 -0.000 -0.000 3/60750 260.0 11.324 11.324 4.833 0.000 -0.000 -0.000 3/60750 270.0 10.857 10.857 4.628 0.000 -0.000 -0.000 3/60750 280.0 10.429 10.429 4.441 0.000 -0.000 -0.000 3/60750 290.0 10.034 10.034 4.269 0.000 -0.000 -0.000 3/60750 300.0 9.670 9.670 4.110 0.000 -0.000 -0.000 3/60750 310.0 9.332 9.332 3.963 0.000 -0.000 -0.000 3/60750 320.0 9.017 9.017 3.827 0.000 -0.000 -0.000 3/60750 330.0 8.724 8.724 3.700 0.000 -0.000 -0.000 3/60750 340.0 8.450 8.450 3.581 0.000 -0.000 -0.000 3/60750 350.0 8.193 8.193 3.470 0.000 -0.000 -0.000 3/60750 360.0 7.952 7.952 3.366 0.000 -0.000 -0.000 3/60750 370.0 7.725 7.725 3.269 0.000 -0.000 -0.000 3/60750 380.0 7.511 7.511 3.176 0.000 -0.000 -0.000 3/60750 390.0 7.309 7.309 3.090 0.000 -0.000 -0.000 3/60750 400.0 7.118 7.118 3.007 0.000 -0.000 -0.000 3/60750 410.0 6.936 6.936 2.930 0.000 -0.000 -0.000 3/60750 420.0 6.764 6.764 2.856 0.000 -0.000 -0.000 3/60750 430.0 6.601 6.601 2.786 0.000 -0.000 -0.000 3/60750 440.0 6.445 6.445 2.719 0.000 -0.000 -0.000 3/60750 450.0 6.297 6.297 2.656 0.000 -0.000 -0.000 3/60750 460.0 6.155 6.155 2.595 0.000 -0.000 -0.000 3/60750 470.0 6.020 6.020 2.538 0.000 -0.000 -0.000 3/60750 480.0 5.890 5.890 2.483 0.000 -0.000 -0.000 3/60750 490.0 5.767 5.767 2.430 0.000 -0.000 -0.000 3/60750 500.0 5.648 5.648 2.379 0.000 -0.000 -0.000 3/60750 510.0 5.534 5.534 2.331 0.000 -0.000 -0.000 3/60750 520.0 5.425 5.425 2.284 0.000 -0.000 -0.000 3/60750 530.0 5.320 5.320 2.240 0.000 -0.000 -0.000 3/60750 540.0 5.219 5.219 2.197 0.000 -0.000 -0.000 3/60750 550.0 5.122 5.122 2.156 0.000 -0.000 -0.000 3/60750 560.0 5.029 5.029 2.116 0.000 -0.000 -0.000 3/60750 570.0 4.939 4.939 2.078 0.000 -0.000 -0.000 3/60750 580.0 4.852 4.852 2.041 0.000 -0.000 -0.000 3/60750 590.0 4.768 4.768 2.005 0.000 -0.000 -0.000 3/60750 600.0 4.687 4.687 1.971 0.000 -0.000 -0.000 3/60750 610.0 4.609 4.609 1.938 0.000 -0.000 -0.000 3/60750 620.0 4.533 4.533 1.906 0.000 -0.000 -0.000 3/60750 630.0 4.460 4.460 1.875 0.000 -0.000 -0.000 3/60750 640.0 4.389 4.389 1.845 0.000 -0.000 -0.000 3/60750 650.0 4.320 4.320 1.816 0.000 -0.000 -0.000 3/60750 660.0 4.254 4.254 1.788 0.000 -0.000 -0.000 3/60750 670.0 4.190 4.190 1.760 0.000 -0.000 -0.000 3/60750 680.0 4.127 4.127 1.734 0.000 -0.000 -0.000 3/60750 690.0 4.066 4.066 1.708 0.000 -0.000 -0.000 3/60750 700.0 4.008 4.008 1.683 0.000 -0.000 -0.000 3/60750 710.0 3.950 3.950 1.659 0.000 -0.000 -0.000 3/60750 720.0 3.895 3.895 1.636 0.000 -0.000 -0.000 3/60750 730.0 3.841 3.841 1.613 0.000 -0.000 -0.000 3/60750 740.0 3.788 3.788 1.591 0.000 -0.000 -0.000 3/60750 750.0 3.737 3.737 1.569 0.000 -0.000 -0.000 3/60750 760.0 3.687 3.687 1.548 0.000 -0.000 -0.000 3/60750 770.0 3.639 3.639 1.528 0.000 -0.000 -0.000 3/60750 780.0 3.592 3.592 1.508 0.000 -0.000 -0.000 3/60750 790.0 3.546 3.546 1.488 0.000 -0.000 -0.000 3/60750 800.0 3.501 3.501 1.470 0.000 -0.000 -0.000 3/60750 810.0 3.457 3.457 1.451 0.000 -0.000 -0.000 3/60750 820.0 3.415 3.415 1.433 0.000 -0.000 -0.000 3/60750 830.0 3.373 3.373 1.416 0.000 -0.000 -0.000 3/60750 840.0 3.333 3.333 1.399 0.000 -0.000 -0.000 3/60750 850.0 3.293 3.293 1.382 0.000 -0.000 -0.000 3/60750 860.0 3.255 3.255 1.366 0.000 -0.000 -0.000 3/60750 870.0 3.217 3.217 1.350 0.000 -0.000 -0.000 3/60750 880.0 3.180 3.180 1.334 0.000 -0.000 -0.000 3/60750 890.0 3.144 3.144 1.319 0.000 -0.000 -0.000 3/60750 900.0 3.109 3.109 1.304 0.000 -0.000 -0.000 3/60750 910.0 3.074 3.074 1.290 0.000 -0.000 -0.000 3/60750 920.0 3.041 3.041 1.276 0.000 -0.000 -0.000 3/60750 930.0 3.008 3.008 1.262 0.000 -0.000 -0.000 3/60750 940.0 2.976 2.976 1.248 0.000 -0.000 -0.000 3/60750 950.0 2.944 2.944 1.235 0.000 -0.000 -0.000 3/60750 960.0 2.913 2.913 1.222 0.000 -0.000 -0.000 3/60750 970.0 2.883 2.883 1.209 0.000 -0.000 -0.000 3/60750 980.0 2.853 2.853 1.197 0.000 -0.000 -0.000 3/60750 990.0 2.824 2.824 1.184 0.000 -0.000 -0.000 3/60750 1000.0 2.796 2.796 1.173 0.000 -0.000 -0.000 3/60750Thermal conductivity related properties were written into "kappa-m151515.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-07 22:48:51]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|