# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/285d9abb-042d-43a0-999c-40643b8b9162/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 KLaTe2 / R-3m (166) / materials id 11739](https://mdr.nims.go.jp/datasets/0d7049fa-8aa4-461f-a0f2-800587d42ad7) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-07 23:57:04]-------------------------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: [3 3 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333]Spacegroup: R-3m (166)Number of symmetry operations in supercell: 324------------------------------ primitive cell ------------------------------Lattice vectors: a 2.325087089588105 1.342389657063013 8.080835653333326 b -2.325087089588100 1.342389657063013 8.080835653333326 c 0.000000000000002 -2.684779314126030 8.080835653333326Atomic positions (fractional): *1 K 0.50000000000000 0.50000000000000 0.50000000000000 39.098 *2 Te 0.26107279768986 0.26107279768986 0.26107279768986 127.600 3 Te 0.73892720231014 0.73892720231014 0.73892720231014 127.600 *4 La 0.00000000000000 0.00000000000000 0.00000000000000 138.905-------------------------------- unit cell ---------------------------------Lattice vectors: a 4.650174179176206 0.000000000000000 0.000000000000000 b -2.325087089588103 4.027168971189043 0.000000000000000 c 0.000000000000000 0.000000000000000 24.242506960000000Atomic positions (fractional): *1 K 0.33333333333333 0.66666666666667 0.16666666666667 39.098 > 1 2 K 0.00000000000000 0.00000000000000 0.50000000000000 39.098 > 1 3 K 0.66666666666667 0.33333333333333 0.83333333333333 39.098 > 1 *4 Te 0.00000000000000 0.00000000000000 0.26107279768986 127.600 > 2 5 Te 0.66666666666667 0.33333333333333 0.07226053564348 127.600 > 3 6 Te 0.66666666666667 0.33333333333333 0.59440613102319 127.600 > 2 7 Te 0.33333333333333 0.66666666666667 0.40559386897681 127.600 > 3 8 Te 0.33333333333333 0.66666666666667 0.92773946435652 127.600 > 2 9 Te 0.00000000000000 0.00000000000000 0.73892720231014 127.600 > 3 *10 La 0.00000000000000 0.00000000000000 0.00000000000000 138.905 > 4 11 La 0.66666666666667 0.33333333333333 0.33333333333333 138.905 > 4 12 La 0.33333333333333 0.66666666666667 0.66666666666667 138.905 > 4-------------------------------- super cell --------------------------------Lattice vectors: a 13.950522537528618 0.000000000000000 0.000000000000000 b -6.975261268764309 12.081506913567129 0.000000000000000 c 0.000000000000000 0.000000000000000 24.242506960000000Atomic positions (fractional): *1 K 0.11111111111111 0.22222222222222 0.16666666666667 39.098 > 1 2 K 0.44444444444444 0.22222222222222 0.16666666666667 39.098 > 1 3 K 0.77777777777778 0.22222222222222 0.16666666666667 39.098 > 1 4 K 0.11111111111111 0.55555555555556 0.16666666666667 39.098 > 1 5 K 0.44444444444444 0.55555555555556 0.16666666666667 39.098 > 1 6 K 0.77777777777778 0.55555555555556 0.16666666666667 39.098 > 1 7 K 0.11111111111111 0.88888888888889 0.16666666666667 39.098 > 1 8 K 0.44444444444444 0.88888888888889 0.16666666666667 39.098 > 1 9 K 0.77777777777778 0.88888888888889 0.16666666666667 39.098 > 1 10 K 0.00000000000000 0.00000000000000 0.50000000000000 39.098 > 1 11 K 0.33333333333333 0.00000000000000 0.50000000000000 39.098 > 1 12 K 0.66666666666667 0.00000000000000 0.50000000000000 39.098 > 1 13 K 0.00000000000000 0.33333333333333 0.50000000000000 39.098 > 1 14 K 0.33333333333333 0.33333333333333 0.50000000000000 39.098 > 1 15 K 0.66666666666667 0.33333333333333 0.50000000000000 39.098 > 1 16 K 0.00000000000000 0.66666666666667 0.50000000000000 39.098 > 1 17 K 0.33333333333333 0.66666666666667 0.50000000000000 39.098 > 1 18 K 0.66666666666667 0.66666666666667 0.50000000000000 39.098 > 1 19 K 0.22222222222222 0.11111111111111 0.83333333333333 39.098 > 1 20 K 0.55555555555556 0.11111111111111 0.83333333333333 39.098 > 1 21 K 0.88888888888889 0.11111111111111 0.83333333333333 39.098 > 1 22 K 0.22222222222222 0.44444444444444 0.83333333333333 39.098 > 1 23 K 0.55555555555556 0.44444444444444 0.83333333333333 39.098 > 1 24 K 0.88888888888889 0.44444444444444 0.83333333333333 39.098 > 1 25 K 0.22222222222222 0.77777777777778 0.83333333333333 39.098 > 1 26 K 0.55555555555556 0.77777777777778 0.83333333333333 39.098 > 1 27 K 0.88888888888889 0.77777777777778 0.83333333333333 39.098 > 1 *28 Te 0.00000000000000 0.00000000000000 0.26107279768986 127.600 > 2 29 Te 0.33333333333333 0.00000000000000 0.26107279768986 127.600 > 2 30 Te 0.66666666666667 0.00000000000000 0.26107279768986 127.600 > 2 31 Te 0.00000000000000 0.33333333333333 0.26107279768986 127.600 > 2 32 Te 0.33333333333333 0.33333333333333 0.26107279768986 127.600 > 2 33 Te 0.66666666666667 0.33333333333333 0.26107279768986 127.600 > 2 34 Te 0.00000000000000 0.66666666666667 0.26107279768986 127.600 > 2 35 Te 0.33333333333333 0.66666666666667 0.26107279768986 127.600 > 2 36 Te 0.66666666666667 0.66666666666667 0.26107279768986 127.600 > 2 37 Te 0.22222222222222 0.11111111111111 0.07226053564348 127.600 > 3 38 Te 0.55555555555556 0.11111111111111 0.07226053564348 127.600 > 3 39 Te 0.88888888888889 0.11111111111111 0.07226053564348 127.600 > 3 40 Te 0.22222222222222 0.44444444444444 0.07226053564348 127.600 > 3 41 Te 0.55555555555556 0.44444444444444 0.07226053564348 127.600 > 3 42 Te 0.88888888888889 0.44444444444444 0.07226053564348 127.600 > 3 43 Te 0.22222222222222 0.77777777777778 0.07226053564348 127.600 > 3 44 Te 0.55555555555556 0.77777777777778 0.07226053564348 127.600 > 3 45 Te 0.88888888888889 0.77777777777778 0.07226053564348 127.600 > 3 46 Te 0.22222222222222 0.11111111111111 0.59440613102319 127.600 > 2 47 Te 0.55555555555556 0.11111111111111 0.59440613102319 127.600 > 2 48 Te 0.88888888888889 0.11111111111111 0.59440613102319 127.600 > 2 49 Te 0.22222222222222 0.44444444444444 0.59440613102319 127.600 > 2 50 Te 0.55555555555556 0.44444444444444 0.59440613102319 127.600 > 2 51 Te 0.88888888888889 0.44444444444444 0.59440613102319 127.600 > 2 52 Te 0.22222222222222 0.77777777777778 0.59440613102319 127.600 > 2 53 Te 0.55555555555556 0.77777777777778 0.59440613102319 127.600 > 2 54 Te 0.88888888888889 0.77777777777778 0.59440613102319 127.600 > 2 55 Te 0.11111111111111 0.22222222222222 0.40559386897681 127.600 > 3 56 Te 0.44444444444444 0.22222222222222 0.40559386897681 127.600 > 3 57 Te 0.77777777777778 0.22222222222222 0.40559386897681 127.600 > 3 58 Te 0.11111111111111 0.55555555555556 0.40559386897681 127.600 > 3 59 Te 0.44444444444444 0.55555555555556 0.40559386897681 127.600 > 3 60 Te 0.77777777777778 0.55555555555556 0.40559386897681 127.600 > 3 61 Te 0.11111111111111 0.88888888888889 0.40559386897681 127.600 > 3 62 Te 0.44444444444444 0.88888888888889 0.40559386897681 127.600 > 3 63 Te 0.77777777777778 0.88888888888889 0.40559386897681 127.600 > 3 64 Te 0.11111111111111 0.22222222222222 0.92773946435652 127.600 > 2 65 Te 0.44444444444444 0.22222222222222 0.92773946435652 127.600 > 2 66 Te 0.77777777777778 0.22222222222222 0.92773946435652 127.600 > 2 67 Te 0.11111111111111 0.55555555555556 0.92773946435652 127.600 > 2 68 Te 0.44444444444444 0.55555555555556 0.92773946435652 127.600 > 2 69 Te 0.77777777777778 0.55555555555556 0.92773946435652 127.600 > 2 70 Te 0.11111111111111 0.88888888888889 0.92773946435652 127.600 > 2 71 Te 0.44444444444444 0.88888888888889 0.92773946435652 127.600 > 2 72 Te 0.77777777777778 0.88888888888889 0.92773946435652 127.600 > 2 73 Te 0.00000000000000 0.00000000000000 0.73892720231014 127.600 > 3 74 Te 0.33333333333333 0.00000000000000 0.73892720231014 127.600 > 3 75 Te 0.66666666666667 0.00000000000000 0.73892720231014 127.600 > 3 76 Te 0.00000000000000 0.33333333333333 0.73892720231014 127.600 > 3 77 Te 0.33333333333333 0.33333333333333 0.73892720231014 127.600 > 3 78 Te 0.66666666666667 0.33333333333333 0.73892720231014 127.600 > 3 79 Te 0.00000000000000 0.66666666666667 0.73892720231014 127.600 > 3 80 Te 0.33333333333333 0.66666666666667 0.73892720231014 127.600 > 3 81 Te 0.66666666666667 0.66666666666667 0.73892720231014 127.600 > 3 *82 La 0.00000000000000 0.00000000000000 0.00000000000000 138.905 > 4 83 La 0.33333333333333 0.00000000000000 0.00000000000000 138.905 > 4 84 La 0.66666666666667 0.00000000000000 0.00000000000000 138.905 > 4 85 La 0.00000000000000 0.33333333333333 0.00000000000000 138.905 > 4 86 La 0.33333333333333 0.33333333333333 0.00000000000000 138.905 > 4 87 La 0.66666666666667 0.33333333333333 0.00000000000000 138.905 > 4 88 La 0.00000000000000 0.66666666666667 0.00000000000000 138.905 > 4 89 La 0.33333333333333 0.66666666666667 0.00000000000000 138.905 > 4 90 La 0.66666666666667 0.66666666666667 0.00000000000000 138.905 > 4 91 La 0.22222222222222 0.11111111111111 0.33333333333333 138.905 > 4 92 La 0.55555555555556 0.11111111111111 0.33333333333333 138.905 > 4 93 La 0.88888888888889 0.11111111111111 0.33333333333333 138.905 > 4 94 La 0.22222222222222 0.44444444444444 0.33333333333333 138.905 > 4 95 La 0.55555555555556 0.44444444444444 0.33333333333333 138.905 > 4 96 La 0.88888888888889 0.44444444444444 0.33333333333333 138.905 > 4 97 La 0.22222222222222 0.77777777777778 0.33333333333333 138.905 > 4 98 La 0.55555555555556 0.77777777777778 0.33333333333333 138.905 > 4 99 La 0.88888888888889 0.77777777777778 0.33333333333333 138.905 > 4 100 La 0.11111111111111 0.22222222222222 0.66666666666667 138.905 > 4 101 La 0.44444444444444 0.22222222222222 0.66666666666667 138.905 > 4 102 La 0.77777777777778 0.22222222222222 0.66666666666667 138.905 > 4 103 La 0.11111111111111 0.55555555555556 0.66666666666667 138.905 > 4 104 La 0.44444444444444 0.55555555555556 0.66666666666667 138.905 > 4 105 La 0.77777777777778 0.55555555555556 0.66666666666667 138.905 > 4 106 La 0.11111111111111 0.88888888888889 0.66666666666667 138.905 > 4 107 La 0.44444444444444 0.88888888888889 0.66666666666667 138.905 > 4 108 La 0.77777777777778 0.88888888888889 0.66666666666667 138.905 > 4----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 7.6180808 -0.0000000 0.0000000 -0.0000000 7.6180808 0.0000000 0.0000000 0.0000000 5.0353698-------------------------- Born effective charges -------------------------- 1 K 1.0866785 -0.0000000 0.0000000 -0.0000000 1.0866785 0.0000000 0.0000000 0.0000000 1.7885051 2 Te -2.9032023 0.0000000 0.0000000 0.0000000 -2.9032023 0.0000000 0.0000000 0.0000000 -1.7715621 3 Te -2.9032023 0.0000000 0.0000000 0.0000000 -2.9032023 0.0000000 0.0000000 0.0000000 -1.7715621 4 La 4.7197261 -0.0000000 0.0000000 -0.0000000 4.7197261 0.0000000 0.0000000 0.0000000 1.7546191----------------------------------------------------------------------------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: 324/324Permutation basis: 2568/2568Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 215Number of blocks in projector: 169Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 3--- Eigsh_solver_block: 1 / 3 ---Block_size: 97Use standard eigh solver.--- Eigsh_solver_block: 2 / 3 ---Block_size: 64Use standard eigh solver.--- Eigsh_solver_block: 3 / 3 ---Block_size: 54Use standard eigh solver.Tree of FC basis block matrices:- (215, 209), data: False|-- (54, 51), data: True|-- (64, 64), data: True|-- (97, 94), data: True-----Solver_atoms: 1 -- 108 / 108Time (Solver_compr_matrix_reshape): 0.006Solver_block: 80 / 80 - Time: 0.129Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.136--------------------------------- Symfc end --------------------------------Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 324/324Permutation basis: 2568/2568Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 215Number of blocks in projector: 169Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 3--- Eigsh_solver_block: 1 / 3 ---Block_size: 97Use standard eigh solver.--- Eigsh_solver_block: 2 / 3 ---Block_size: 64Use standard eigh solver.--- Eigsh_solver_block: 3 / 3 ---Block_size: 54Use standard eigh solver.Tree of FC basis block matrices:- (215, 209), data: False|-- (54, 51), data: True|-- (64, 64), data: True|-- (97, 94), data: TrueMax drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) 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 23:57:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-07 23:57:08]-------------------------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): [3 3 1]Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333]Spacegroup: R-3m (166)------------------------------ primitive cell ------------------------------Lattice vectors: a 2.325087089588105 1.342389657063013 8.080835653333326 b -2.325087089588100 1.342389657063013 8.080835653333326 c 0.000000000000002 -2.684779314126030 8.080835653333326Atomic positions (fractional): 1 K 0.50000000000000 0.50000000000000 0.50000000000000 39.098 2 Te 0.26107279768986 0.26107279768986 0.26107279768986 127.600 3 Te 0.73892720231014 0.73892720231014 0.73892720231014 127.600 4 La 0.00000000000000 0.00000000000000 0.00000000000000 138.905-------------------------------- supercell ---------------------------------Lattice vectors: a 13.950522537528618 0.000000000000000 0.000000000000000 b -6.975261268764309 12.081506913567129 0.000000000000000 c 0.000000000000000 0.000000000000000 24.242506960000000Atomic positions (fractional): 1 K 0.11111111111111 0.22222222222222 0.16666666666667 39.098 > 1 2 K 0.44444444444444 0.22222222222222 0.16666666666667 39.098 > 1 3 K 0.77777777777778 0.22222222222222 0.16666666666667 39.098 > 1 4 K 0.11111111111111 0.55555555555556 0.16666666666667 39.098 > 1 5 K 0.44444444444444 0.55555555555556 0.16666666666667 39.098 > 1 6 K 0.77777777777778 0.55555555555556 0.16666666666667 39.098 > 1 7 K 0.11111111111111 0.88888888888889 0.16666666666667 39.098 > 1 8 K 0.44444444444444 0.88888888888889 0.16666666666667 39.098 > 1 9 K 0.77777777777778 0.88888888888889 0.16666666666667 39.098 > 1 10 K 0.00000000000000 0.00000000000000 0.50000000000000 39.098 > 1 11 K 0.33333333333333 0.00000000000000 0.50000000000000 39.098 > 1 12 K 0.66666666666667 0.00000000000000 0.50000000000000 39.098 > 1 13 K 0.00000000000000 0.33333333333333 0.50000000000000 39.098 > 1 14 K 0.33333333333333 0.33333333333333 0.50000000000000 39.098 > 1 15 K 0.66666666666667 0.33333333333333 0.50000000000000 39.098 > 1 16 K 0.00000000000000 0.66666666666667 0.50000000000000 39.098 > 1 17 K 0.33333333333333 0.66666666666667 0.50000000000000 39.098 > 1 18 K 0.66666666666667 0.66666666666667 0.50000000000000 39.098 > 1 19 K 0.22222222222222 0.11111111111111 0.83333333333333 39.098 > 1 20 K 0.55555555555556 0.11111111111111 0.83333333333333 39.098 > 1 21 K 0.88888888888889 0.11111111111111 0.83333333333333 39.098 > 1 22 K 0.22222222222222 0.44444444444444 0.83333333333333 39.098 > 1 23 K 0.55555555555556 0.44444444444444 0.83333333333333 39.098 > 1 24 K 0.88888888888889 0.44444444444444 0.83333333333333 39.098 > 1 25 K 0.22222222222222 0.77777777777778 0.83333333333333 39.098 > 1 26 K 0.55555555555556 0.77777777777778 0.83333333333333 39.098 > 1 27 K 0.88888888888889 0.77777777777778 0.83333333333333 39.098 > 1 28 Te 0.00000000000000 0.00000000000000 0.26107279768986 127.600 > 28 29 Te 0.33333333333333 0.00000000000000 0.26107279768986 127.600 > 28 30 Te 0.66666666666667 0.00000000000000 0.26107279768986 127.600 > 28 31 Te 0.00000000000000 0.33333333333333 0.26107279768986 127.600 > 28 32 Te 0.33333333333333 0.33333333333333 0.26107279768986 127.600 > 28 33 Te 0.66666666666667 0.33333333333333 0.26107279768986 127.600 > 28 34 Te 0.00000000000000 0.66666666666667 0.26107279768986 127.600 > 28 35 Te 0.33333333333333 0.66666666666667 0.26107279768986 127.600 > 28 36 Te 0.66666666666667 0.66666666666667 0.26107279768986 127.600 > 28 37 Te 0.22222222222222 0.11111111111111 0.07226053564348 127.600 > 37 38 Te 0.55555555555556 0.11111111111111 0.07226053564348 127.600 > 37 39 Te 0.88888888888889 0.11111111111111 0.07226053564348 127.600 > 37 40 Te 0.22222222222222 0.44444444444444 0.07226053564348 127.600 > 37 41 Te 0.55555555555556 0.44444444444444 0.07226053564348 127.600 > 37 42 Te 0.88888888888889 0.44444444444444 0.07226053564348 127.600 > 37 43 Te 0.22222222222222 0.77777777777778 0.07226053564348 127.600 > 37 44 Te 0.55555555555556 0.77777777777778 0.07226053564348 127.600 > 37 45 Te 0.88888888888889 0.77777777777778 0.07226053564348 127.600 > 37 46 Te 0.22222222222222 0.11111111111111 0.59440613102319 127.600 > 28 47 Te 0.55555555555556 0.11111111111111 0.59440613102319 127.600 > 28 48 Te 0.88888888888889 0.11111111111111 0.59440613102319 127.600 > 28 49 Te 0.22222222222222 0.44444444444444 0.59440613102319 127.600 > 28 50 Te 0.55555555555556 0.44444444444444 0.59440613102319 127.600 > 28 51 Te 0.88888888888889 0.44444444444444 0.59440613102319 127.600 > 28 52 Te 0.22222222222222 0.77777777777778 0.59440613102319 127.600 > 28 53 Te 0.55555555555556 0.77777777777778 0.59440613102319 127.600 > 28 54 Te 0.88888888888889 0.77777777777778 0.59440613102319 127.600 > 28 55 Te 0.11111111111111 0.22222222222222 0.40559386897681 127.600 > 37 56 Te 0.44444444444444 0.22222222222222 0.40559386897681 127.600 > 37 57 Te 0.77777777777778 0.22222222222222 0.40559386897681 127.600 > 37 58 Te 0.11111111111111 0.55555555555556 0.40559386897681 127.600 > 37 59 Te 0.44444444444444 0.55555555555556 0.40559386897681 127.600 > 37 60 Te 0.77777777777778 0.55555555555556 0.40559386897681 127.600 > 37 61 Te 0.11111111111111 0.88888888888889 0.40559386897681 127.600 > 37 62 Te 0.44444444444444 0.88888888888889 0.40559386897681 127.600 > 37 63 Te 0.77777777777778 0.88888888888889 0.40559386897681 127.600 > 37 64 Te 0.11111111111111 0.22222222222222 0.92773946435652 127.600 > 28 65 Te 0.44444444444444 0.22222222222222 0.92773946435652 127.600 > 28 66 Te 0.77777777777778 0.22222222222222 0.92773946435652 127.600 > 28 67 Te 0.11111111111111 0.55555555555556 0.92773946435652 127.600 > 28 68 Te 0.44444444444444 0.55555555555556 0.92773946435652 127.600 > 28 69 Te 0.77777777777778 0.55555555555556 0.92773946435652 127.600 > 28 70 Te 0.11111111111111 0.88888888888889 0.92773946435652 127.600 > 28 71 Te 0.44444444444444 0.88888888888889 0.92773946435652 127.600 > 28 72 Te 0.77777777777778 0.88888888888889 0.92773946435652 127.600 > 28 73 Te 0.00000000000000 0.00000000000000 0.73892720231014 127.600 > 37 74 Te 0.33333333333333 0.00000000000000 0.73892720231014 127.600 > 37 75 Te 0.66666666666667 0.00000000000000 0.73892720231014 127.600 > 37 76 Te 0.00000000000000 0.33333333333333 0.73892720231014 127.600 > 37 77 Te 0.33333333333333 0.33333333333333 0.73892720231014 127.600 > 37 78 Te 0.66666666666667 0.33333333333333 0.73892720231014 127.600 > 37 79 Te 0.00000000000000 0.66666666666667 0.73892720231014 127.600 > 37 80 Te 0.33333333333333 0.66666666666667 0.73892720231014 127.600 > 37 81 Te 0.66666666666667 0.66666666666667 0.73892720231014 127.600 > 37 82 La 0.00000000000000 0.00000000000000 0.00000000000000 138.905 > 82 83 La 0.33333333333333 0.00000000000000 0.00000000000000 138.905 > 82 84 La 0.66666666666667 0.00000000000000 0.00000000000000 138.905 > 82 85 La 0.00000000000000 0.33333333333333 0.00000000000000 138.905 > 82 86 La 0.33333333333333 0.33333333333333 0.00000000000000 138.905 > 82 87 La 0.66666666666667 0.33333333333333 0.00000000000000 138.905 > 82 88 La 0.00000000000000 0.66666666666667 0.00000000000000 138.905 > 82 89 La 0.33333333333333 0.66666666666667 0.00000000000000 138.905 > 82 90 La 0.66666666666667 0.66666666666667 0.00000000000000 138.905 > 82 91 La 0.22222222222222 0.11111111111111 0.33333333333333 138.905 > 82 92 La 0.55555555555556 0.11111111111111 0.33333333333333 138.905 > 82 93 La 0.88888888888889 0.11111111111111 0.33333333333333 138.905 > 82 94 La 0.22222222222222 0.44444444444444 0.33333333333333 138.905 > 82 95 La 0.55555555555556 0.44444444444444 0.33333333333333 138.905 > 82 96 La 0.88888888888889 0.44444444444444 0.33333333333333 138.905 > 82 97 La 0.22222222222222 0.77777777777778 0.33333333333333 138.905 > 82 98 La 0.55555555555556 0.77777777777778 0.33333333333333 138.905 > 82 99 La 0.88888888888889 0.77777777777778 0.33333333333333 138.905 > 82 100 La 0.11111111111111 0.22222222222222 0.66666666666667 138.905 > 82 101 La 0.44444444444444 0.22222222222222 0.66666666666667 138.905 > 82 102 La 0.77777777777778 0.22222222222222 0.66666666666667 138.905 > 82 103 La 0.11111111111111 0.55555555555556 0.66666666666667 138.905 > 82 104 La 0.44444444444444 0.55555555555556 0.66666666666667 138.905 > 82 105 La 0.77777777777778 0.55555555555556 0.66666666666667 138.905 > 82 106 La 0.11111111111111 0.88888888888889 0.66666666666667 138.905 > 82 107 La 0.44444444444444 0.88888888888889 0.66666666666667 138.905 > 82 108 La 0.77777777777778 0.88888888888889 0.66666666666667 138.905 > 82----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 7.6180808 -0.0000000 0.0000000 -0.0000000 7.6180808 0.0000000 0.0000000 0.0000000 5.0353698-------------------------- Born effective charges -------------------------- 1 K 1.0866785 -0.0000000 0.0000000 -0.0000000 1.0866785 0.0000000 0.0000000 0.0000000 1.7885051 2 Te -2.9032023 0.0000000 0.0000000 0.0000000 -2.9032023 0.0000000 0.0000000 0.0000000 -1.7715621 3 Te -2.9032023 0.0000000 0.0000000 0.0000000 -2.9032023 0.0000000 0.0000000 0.0000000 -1.7715621 4 La 4.7197261 -0.0000000 0.0000000 -0.0000000 4.7197261 0.0000000 0.0000000 0.0000000 1.7546191----------------------------------------------------------------------------Sets of supercell forces were read from "FORCES_FC3.xz".Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".----------------------------- Force constants ------------------------------Computing fc3[ 1, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 28, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 82, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Expanding fc3.Symmetrizing fc3 by traditional approach (N=3).Symmetrizing fc2 by traditional approach (N=3).Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy)fc3 was written into "fc3.hdf5".Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) fc2 was written into "fc2.hdf5".--------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): 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 23:57:12]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-07 23:57:13]-------------------------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): [3 3 1]Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333]Spacegroup: R-3m (166)------------------------------ primitive cell ------------------------------Lattice vectors: a 2.325087089588105 1.342389657063013 8.080835653333326 b -2.325087089588100 1.342389657063013 8.080835653333326 c 0.000000000000002 -2.684779314126030 8.080835653333326Atomic positions (fractional): 1 K 0.50000000000000 0.50000000000000 0.50000000000000 39.098 2 Te 0.26107279768986 0.26107279768986 0.26107279768986 127.600 3 Te 0.73892720231014 0.73892720231014 0.73892720231014 127.600 4 La 0.00000000000000 0.00000000000000 0.00000000000000 138.905-------------------------------- supercell ---------------------------------Lattice vectors: a 13.950522537528618 0.000000000000000 0.000000000000000 b -6.975261268764309 12.081506913567129 0.000000000000000 c 0.000000000000000 0.000000000000000 24.242506960000000Atomic positions (fractional): 1 K 0.11111111111111 0.22222222222222 0.16666666666667 39.098 > 1 2 K 0.44444444444444 0.22222222222222 0.16666666666667 39.098 > 1 3 K 0.77777777777778 0.22222222222222 0.16666666666667 39.098 > 1 4 K 0.11111111111111 0.55555555555556 0.16666666666667 39.098 > 1 5 K 0.44444444444444 0.55555555555556 0.16666666666667 39.098 > 1 6 K 0.77777777777778 0.55555555555556 0.16666666666667 39.098 > 1 7 K 0.11111111111111 0.88888888888889 0.16666666666667 39.098 > 1 8 K 0.44444444444444 0.88888888888889 0.16666666666667 39.098 > 1 9 K 0.77777777777778 0.88888888888889 0.16666666666667 39.098 > 1 10 K 0.00000000000000 0.00000000000000 0.50000000000000 39.098 > 1 11 K 0.33333333333333 0.00000000000000 0.50000000000000 39.098 > 1 12 K 0.66666666666667 0.00000000000000 0.50000000000000 39.098 > 1 13 K 0.00000000000000 0.33333333333333 0.50000000000000 39.098 > 1 14 K 0.33333333333333 0.33333333333333 0.50000000000000 39.098 > 1 15 K 0.66666666666667 0.33333333333333 0.50000000000000 39.098 > 1 16 K 0.00000000000000 0.66666666666667 0.50000000000000 39.098 > 1 17 K 0.33333333333333 0.66666666666667 0.50000000000000 39.098 > 1 18 K 0.66666666666667 0.66666666666667 0.50000000000000 39.098 > 1 19 K 0.22222222222222 0.11111111111111 0.83333333333333 39.098 > 1 20 K 0.55555555555556 0.11111111111111 0.83333333333333 39.098 > 1 21 K 0.88888888888889 0.11111111111111 0.83333333333333 39.098 > 1 22 K 0.22222222222222 0.44444444444444 0.83333333333333 39.098 > 1 23 K 0.55555555555556 0.44444444444444 0.83333333333333 39.098 > 1 24 K 0.88888888888889 0.44444444444444 0.83333333333333 39.098 > 1 25 K 0.22222222222222 0.77777777777778 0.83333333333333 39.098 > 1 26 K 0.55555555555556 0.77777777777778 0.83333333333333 39.098 > 1 27 K 0.88888888888889 0.77777777777778 0.83333333333333 39.098 > 1 28 Te 0.00000000000000 0.00000000000000 0.26107279768986 127.600 > 28 29 Te 0.33333333333333 0.00000000000000 0.26107279768986 127.600 > 28 30 Te 0.66666666666667 0.00000000000000 0.26107279768986 127.600 > 28 31 Te 0.00000000000000 0.33333333333333 0.26107279768986 127.600 > 28 32 Te 0.33333333333333 0.33333333333333 0.26107279768986 127.600 > 28 33 Te 0.66666666666667 0.33333333333333 0.26107279768986 127.600 > 28 34 Te 0.00000000000000 0.66666666666667 0.26107279768986 127.600 > 28 35 Te 0.33333333333333 0.66666666666667 0.26107279768986 127.600 > 28 36 Te 0.66666666666667 0.66666666666667 0.26107279768986 127.600 > 28 37 Te 0.22222222222222 0.11111111111111 0.07226053564348 127.600 > 37 38 Te 0.55555555555556 0.11111111111111 0.07226053564348 127.600 > 37 39 Te 0.88888888888889 0.11111111111111 0.07226053564348 127.600 > 37 40 Te 0.22222222222222 0.44444444444444 0.07226053564348 127.600 > 37 41 Te 0.55555555555556 0.44444444444444 0.07226053564348 127.600 > 37 42 Te 0.88888888888889 0.44444444444444 0.07226053564348 127.600 > 37 43 Te 0.22222222222222 0.77777777777778 0.07226053564348 127.600 > 37 44 Te 0.55555555555556 0.77777777777778 0.07226053564348 127.600 > 37 45 Te 0.88888888888889 0.77777777777778 0.07226053564348 127.600 > 37 46 Te 0.22222222222222 0.11111111111111 0.59440613102319 127.600 > 28 47 Te 0.55555555555556 0.11111111111111 0.59440613102319 127.600 > 28 48 Te 0.88888888888889 0.11111111111111 0.59440613102319 127.600 > 28 49 Te 0.22222222222222 0.44444444444444 0.59440613102319 127.600 > 28 50 Te 0.55555555555556 0.44444444444444 0.59440613102319 127.600 > 28 51 Te 0.88888888888889 0.44444444444444 0.59440613102319 127.600 > 28 52 Te 0.22222222222222 0.77777777777778 0.59440613102319 127.600 > 28 53 Te 0.55555555555556 0.77777777777778 0.59440613102319 127.600 > 28 54 Te 0.88888888888889 0.77777777777778 0.59440613102319 127.600 > 28 55 Te 0.11111111111111 0.22222222222222 0.40559386897681 127.600 > 37 56 Te 0.44444444444444 0.22222222222222 0.40559386897681 127.600 > 37 57 Te 0.77777777777778 0.22222222222222 0.40559386897681 127.600 > 37 58 Te 0.11111111111111 0.55555555555556 0.40559386897681 127.600 > 37 59 Te 0.44444444444444 0.55555555555556 0.40559386897681 127.600 > 37 60 Te 0.77777777777778 0.55555555555556 0.40559386897681 127.600 > 37 61 Te 0.11111111111111 0.88888888888889 0.40559386897681 127.600 > 37 62 Te 0.44444444444444 0.88888888888889 0.40559386897681 127.600 > 37 63 Te 0.77777777777778 0.88888888888889 0.40559386897681 127.600 > 37 64 Te 0.11111111111111 0.22222222222222 0.92773946435652 127.600 > 28 65 Te 0.44444444444444 0.22222222222222 0.92773946435652 127.600 > 28 66 Te 0.77777777777778 0.22222222222222 0.92773946435652 127.600 > 28 67 Te 0.11111111111111 0.55555555555556 0.92773946435652 127.600 > 28 68 Te 0.44444444444444 0.55555555555556 0.92773946435652 127.600 > 28 69 Te 0.77777777777778 0.55555555555556 0.92773946435652 127.600 > 28 70 Te 0.11111111111111 0.88888888888889 0.92773946435652 127.600 > 28 71 Te 0.44444444444444 0.88888888888889 0.92773946435652 127.600 > 28 72 Te 0.77777777777778 0.88888888888889 0.92773946435652 127.600 > 28 73 Te 0.00000000000000 0.00000000000000 0.73892720231014 127.600 > 37 74 Te 0.33333333333333 0.00000000000000 0.73892720231014 127.600 > 37 75 Te 0.66666666666667 0.00000000000000 0.73892720231014 127.600 > 37 76 Te 0.00000000000000 0.33333333333333 0.73892720231014 127.600 > 37 77 Te 0.33333333333333 0.33333333333333 0.73892720231014 127.600 > 37 78 Te 0.66666666666667 0.33333333333333 0.73892720231014 127.600 > 37 79 Te 0.00000000000000 0.66666666666667 0.73892720231014 127.600 > 37 80 Te 0.33333333333333 0.66666666666667 0.73892720231014 127.600 > 37 81 Te 0.66666666666667 0.66666666666667 0.73892720231014 127.600 > 37 82 La 0.00000000000000 0.00000000000000 0.00000000000000 138.905 > 82 83 La 0.33333333333333 0.00000000000000 0.00000000000000 138.905 > 82 84 La 0.66666666666667 0.00000000000000 0.00000000000000 138.905 > 82 85 La 0.00000000000000 0.33333333333333 0.00000000000000 138.905 > 82 86 La 0.33333333333333 0.33333333333333 0.00000000000000 138.905 > 82 87 La 0.66666666666667 0.33333333333333 0.00000000000000 138.905 > 82 88 La 0.00000000000000 0.66666666666667 0.00000000000000 138.905 > 82 89 La 0.33333333333333 0.66666666666667 0.00000000000000 138.905 > 82 90 La 0.66666666666667 0.66666666666667 0.00000000000000 138.905 > 82 91 La 0.22222222222222 0.11111111111111 0.33333333333333 138.905 > 82 92 La 0.55555555555556 0.11111111111111 0.33333333333333 138.905 > 82 93 La 0.88888888888889 0.11111111111111 0.33333333333333 138.905 > 82 94 La 0.22222222222222 0.44444444444444 0.33333333333333 138.905 > 82 95 La 0.55555555555556 0.44444444444444 0.33333333333333 138.905 > 82 96 La 0.88888888888889 0.44444444444444 0.33333333333333 138.905 > 82 97 La 0.22222222222222 0.77777777777778 0.33333333333333 138.905 > 82 98 La 0.55555555555556 0.77777777777778 0.33333333333333 138.905 > 82 99 La 0.88888888888889 0.77777777777778 0.33333333333333 138.905 > 82 100 La 0.11111111111111 0.22222222222222 0.66666666666667 138.905 > 82 101 La 0.44444444444444 0.22222222222222 0.66666666666667 138.905 > 82 102 La 0.77777777777778 0.22222222222222 0.66666666666667 138.905 > 82 103 La 0.11111111111111 0.55555555555556 0.66666666666667 138.905 > 82 104 La 0.44444444444444 0.55555555555556 0.66666666666667 138.905 > 82 105 La 0.77777777777778 0.55555555555556 0.66666666666667 138.905 > 82 106 La 0.11111111111111 0.88888888888889 0.66666666666667 138.905 > 82 107 La 0.44444444444444 0.88888888888889 0.66666666666667 138.905 > 82 108 La 0.77777777777778 0.88888888888889 0.66666666666667 138.905 > 82----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 7.6180808 -0.0000000 0.0000000 -0.0000000 7.6180808 0.0000000 0.0000000 0.0000000 5.0353698-------------------------- Born effective charges -------------------------- 1 K 1.0866785 -0.0000000 0.0000000 -0.0000000 1.0866785 0.0000000 0.0000000 0.0000000 1.7885051 2 Te -2.9032023 0.0000000 0.0000000 0.0000000 -2.9032023 0.0000000 0.0000000 0.0000000 -1.7715621 3 Te -2.9032023 0.0000000 0.0000000 0.0000000 -2.9032023 0.0000000 0.0000000 0.0000000 -1.7715621 4 La 4.7197261 -0.0000000 0.0000000 -0.0000000 4.7197261 0.0000000 0.0000000 0.0000000 1.7546191----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy)Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- 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 ... [ 13 13 13 ]fc3-r2q-transformation over three atoms: True--------------------------- Phonon calculations ----------------------------Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.78, Number of G-points: 313, Lambda: 0.21Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/231) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 231Calculating 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 2.639 ( 0.000 0.000 0.000) 0.000 2.639 ( 0.000 0.000 0.000) 0.000 2.662 ( 0.000 0.000 0.000) 0.000 2.662 ( 0.000 0.000 0.000) 0.000 3.153 ( 0.000 0.000 0.000) 0.000 3.297 ( 0.000 0.000 0.000) 0.000 3.297 ( 0.000 0.000 0.000) 0.000 3.594 ( 0.000 0.000 0.000) 0.000 4.364 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/231) =======================q-point: ( 0.08 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.296 ( 14.377 8.300 -4.781) 17.276 0.338 ( 16.000 9.237 -6.026) 19.433 0.658 ( 27.390 15.813 10.766) 33.409 2.522 ( -3.562 -2.057 -11.662) 12.366 2.565 ( -5.477 -3.162 10.547) 12.298 2.731 ( 5.097 2.943 -10.543) 12.075 2.806 ( 4.741 2.738 11.106) 12.382 3.163 ( 1.647 0.951 -2.308) 2.990 3.301 ( 0.079 0.046 1.650) 1.653 3.588 ( -0.233 -0.135 0.283) 0.391 4.302 ( -5.423 -3.131 0.345) 6.271 4.785 ( -1.873 -1.082 -5.007) 5.455======================= Grid point 2 (3/231) =======================q-point: ( 0.15 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.606 ( 15.136 8.739 -5.104) 18.208 0.662 ( 15.034 8.680 -6.884) 18.675 1.251 ( 23.144 13.362 5.687) 27.323 2.431 ( -1.134 -0.655 -8.970) 9.065 2.476 ( -5.508 -3.180 10.217) 12.034 2.812 ( 5.236 3.023 -10.030) 11.711 2.906 ( 0.644 0.372 11.493) 11.517 3.231 ( 5.279 3.048 -2.614) 6.632 3.308 ( -0.096 -0.055 2.784) 2.786 3.578 ( -1.325 -0.765 3.085) 3.443 4.134 ( -9.735 -5.621 1.149) 11.300 4.705 ( -3.389 -1.957 -7.942) 8.854======================= Grid point 3 (4/231) =======================q-point: ( 0.23 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.926 ( 15.202 8.777 -5.554) 18.411 0.948 ( 12.875 7.433 -8.208) 16.982 1.667 ( 13.420 7.748 -3.891) 15.977 2.391 ( -5.002 -2.888 9.828) 11.400 2.465 ( 6.411 3.701 1.522) 7.558 2.899 ( 5.338 3.082 -9.290) 11.148 2.914 ( -2.812 -1.623 11.376) 11.830 3.311 ( -0.573 -0.331 3.320) 3.385 3.354 ( 5.851 3.378 -2.060) 7.064 3.533 ( -4.361 -2.518 3.781) 6.297 3.907 ( -9.962 -5.752 -0.452) 11.513 4.593 ( -3.998 -2.308 -9.613) 10.664======================= Grid point 4 (5/231) =======================q-point: ( 0.31 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.169 ( 9.613 5.550 -8.844) 14.192 1.230 ( 13.648 7.880 -5.845) 16.809 1.852 ( 6.857 3.959 -5.977) 9.921 2.320 ( -4.114 -2.375 9.207) 10.360 2.685 ( 8.482 4.897 7.860) 12.558 2.878 ( -2.121 -1.224 10.903) 11.174 2.987 ( 5.207 3.006 -8.402) 10.331 3.302 ( -1.306 -0.754 3.562) 3.868 3.373 ( -9.479 -5.473 2.191) 11.163 3.466 ( 3.184 1.838 -1.470) 3.960 3.738 ( -4.385 -2.532 -3.071) 5.922 4.478 ( -3.654 -2.110 -8.801) 9.760======================= Grid point 5 (6/231) =======================q-point: ( 0.38 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.323 ( 6.769 3.908 -6.486) 10.157 1.476 ( 9.929 5.732 -5.221) 12.598 1.990 ( 6.941 4.008 -1.147) 8.097 2.268 ( -2.991 -1.727 7.463) 8.223 2.708 ( -5.480 -3.164 7.962) 10.171 2.954 ( 0.068 0.039 2.644) 2.645 3.073 ( 4.745 2.740 -7.212) 9.057 3.198 ( -2.760 -1.594 4.434) 5.460 3.275 ( -2.191 -1.265 3.873) 4.626 3.490 ( -0.690 -0.398 -3.172) 3.270 3.699 ( 1.500 0.866 -2.629) 3.148 4.381 ( -2.996 -1.730 -5.911) 6.849======================= Grid point 6 (7/231) =======================q-point: ( 0.46 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.422 ( 2.988 1.725 -2.256) 4.122 1.619 ( 3.779 2.182 -2.338) 4.951 2.126 ( 4.161 2.402 1.190) 4.950 2.237 ( -1.223 -0.706 3.140) 3.443 2.607 ( -3.822 -2.207 1.940) 4.821 2.856 ( -4.129 -2.384 -0.342) 4.780 3.146 ( 3.373 1.948 -4.888) 6.250 3.233 ( -2.487 -1.436 3.673) 4.662 3.255 ( 2.242 1.294 3.255) 4.159 3.453 ( -0.895 -0.516 -2.336) 2.555 3.743 ( 1.778 1.026 -0.563) 2.129 4.315 ( -1.462 -0.844 -2.140) 2.726======================= Grid point 14 (8/231) =======================q-point: ( 0.08 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.382 ( -0.000 16.010 12.104) 20.071 0.402 ( -0.000 19.499 4.092) 19.924 0.616 ( -0.000 30.207 4.380) 30.523 2.461 ( 0.000 -6.193 -11.104) 12.715 2.630 ( -0.000 -3.398 10.467) 11.005 2.697 ( 0.000 4.486 -11.272) 12.132 2.829 ( -0.000 5.555 9.895) 11.348 3.154 ( 0.000 2.184 -4.153) 4.692 3.282 ( 0.000 -0.740 -2.212) 2.332 3.571 ( 0.000 0.170 -2.893) 2.898 4.297 ( 0.000 -5.961 -0.490) 5.982 4.801 ( 0.000 -0.425 -1.785) 1.835======================= Grid point 15 (9/231) =======================q-point: ( 0.15 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.494 ( 0.903 14.814 7.800) 16.766 0.689 ( 5.352 20.938 -3.468) 21.888 1.090 ( 17.417 21.764 6.351) 28.590 2.376 ( 0.847 -4.597 -9.796) 10.854 2.578 ( -5.484 -2.454 10.600) 12.184 2.722 ( 3.483 1.709 -11.506) 12.143 2.938 ( 2.098 3.688 9.634) 10.527 3.191 ( 2.607 4.775 -4.237) 6.896 3.281 ( 1.404 -2.436 -0.106) 2.813 3.583 ( 1.629 -0.695 0.271) 1.791 4.193 ( -4.387 -8.528 1.062) 9.649 4.737 ( -5.024 -1.006 -4.226) 6.641======================= Grid point 16 (10/231) =======================q-point: ( 0.23 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.725 ( 9.159 10.896 1.497) 14.312 0.957 ( 5.760 18.510 -5.635) 20.188 1.536 ( 13.058 13.918 -1.643) 19.155 2.382 ( 6.109 0.391 -1.510) 6.305 2.492 ( -5.885 -2.084 9.784) 11.606 2.770 ( 5.954 -0.787 -9.743) 11.445 3.002 ( -1.418 2.726 8.336) 8.884 3.267 ( 1.368 -4.644 0.934) 4.931 3.301 ( 4.592 4.788 -1.719) 6.853 3.600 ( -0.511 1.014 1.808) 2.135 4.005 ( -8.442 -8.189 1.019) 11.805 4.608 ( -5.590 -2.691 -7.696) 9.885======================= Grid point 17 (11/231) =======================q-point: ( 0.31 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.983 ( 10.926 7.518 -3.357) 13.681 1.194 ( 6.099 14.768 -5.849) 17.014 1.770 ( 6.595 7.215 -6.792) 11.903 2.410 ( -5.081 -1.533 8.794) 10.272 2.585 ( 11.492 4.833 6.564) 14.089 2.841 ( 6.509 -0.910 -5.603) 8.636 3.010 ( -3.323 3.423 6.240) 7.854 3.222 ( 0.473 -8.985 2.206) 9.264 3.412 ( 3.942 3.595 -2.196) 5.769 3.579 ( -6.102 3.692 2.530) 7.567 3.793 ( -7.982 -5.422 -1.179) 9.721 4.468 ( -3.648 -4.431 -8.817) 10.521======================= Grid point 18 (12/231) =======================q-point: ( 0.38 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.192 ( 9.122 4.693 -6.131) 11.951 1.410 ( 6.614 11.312 -3.977) 13.694 1.914 ( 6.184 5.090 -2.146) 8.292 2.352 ( -4.043 0.309 6.783) 7.902 2.751 ( 1.780 -2.404 4.498) 5.402 2.949 ( 4.428 2.260 1.903) 5.323 3.022 ( 0.136 3.886 -0.403) 3.910 3.139 ( 0.971 -7.692 3.252) 8.407 3.455 ( -3.974 2.829 -0.672) 4.924 3.497 ( -6.090 3.378 0.857) 7.017 3.676 ( -0.683 -1.432 -3.508) 3.850 4.357 ( -1.140 -5.117 -6.607) 8.434======================= Grid point 19 (13/231) =======================q-point: ( 0.46 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.343 ( 6.821 2.799 -4.893) 8.849 1.583 ( 4.100 7.217 -2.379) 8.635 2.050 ( 5.641 1.269 2.625) 6.350 2.329 ( -3.296 4.559 2.619) 6.205 2.673 ( -5.887 -4.647 2.569) 7.928 2.907 ( -4.609 -3.073 1.497) 5.738 3.081 ( 3.854 1.982 -4.750) 6.430 3.215 ( 4.167 2.696 3.799) 6.250 3.376 ( -8.176 4.774 3.512) 10.099 3.450 ( -0.858 -1.232 -3.118) 3.461 3.698 ( 3.284 0.298 -1.805) 3.760 4.289 ( 0.408 -4.593 -2.951) 5.475======================= Grid point 20 (14/231) =======================q-point: (-0.46 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.421 ( 1.812 -0.300 -1.493) 2.367 1.653 ( -0.618 2.134 -0.476) 2.272 2.099 ( 0.221 -3.621 -0.177) 3.632 2.333 ( -4.361 7.463 -0.649) 8.668 2.584 ( 0.117 -1.133 1.041) 1.543 2.844 ( -1.586 1.524 0.921) 2.384 3.133 ( 2.514 -1.340 -2.012) 3.488 3.279 ( -0.720 5.549 -0.943) 5.674 3.301 ( -5.672 1.307 1.635) 6.046 3.445 ( 1.120 0.038 1.120) 1.585 3.732 ( 1.297 -1.606 -0.705) 2.182 4.273 ( 2.758 -3.113 1.013) 4.281======================= Grid point 21 (15/231) =======================q-point: (-0.38 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.384 ( -3.757 -3.941 3.506) 6.476 1.601 ( -6.474 -0.967 1.393) 6.693 2.020 ( -2.268 -4.998 -3.368) 6.439 2.315 ( -5.472 6.876 -0.900) 8.834 2.640 ( 4.005 2.865 -3.947) 6.310 2.901 ( 5.258 1.624 0.127) 5.504 3.107 ( -1.790 -4.252 -0.288) 4.623 3.195 ( -7.055 -1.525 0.583) 7.242 3.341 ( 0.002 10.059 -3.598) 10.684 3.481 ( 1.867 0.241 3.395) 3.882 3.710 ( -0.808 -2.319 0.721) 2.560 4.325 ( 5.203 -2.173 4.463) 7.191======================= Grid point 22 (16/231) =======================q-point: (-0.31 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.255 ( -7.841 -7.002 7.011) 12.636 1.445 ( -11.156 -1.088 3.155) 11.645 1.932 ( -3.675 -2.717 1.453) 4.796 2.301 ( -1.810 5.296 -3.900) 6.822 2.691 ( 0.506 -0.457 -7.764) 7.794 2.897 ( -7.036 -0.590 -6.579) 9.651 3.060 ( -1.177 -3.491 4.575) 5.874 3.116 ( 5.115 -3.455 -0.959) 6.247 3.441 ( 0.347 11.105 -2.799) 11.458 3.504 ( -1.201 0.716 1.683) 2.188 3.705 ( 2.117 -0.262 2.561) 3.333 4.422 ( 6.384 -1.586 6.776) 9.444======================= Grid point 23 (17/231) =======================q-point: (-0.23 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.027 ( -12.406 -9.119 5.749) 16.436 1.248 ( -14.501 1.049 5.074) 15.399 1.830 ( -9.109 -2.408 5.555) 10.937 2.333 ( 1.953 4.521 -7.131) 8.666 2.529 ( -8.440 -6.173 -4.733) 11.478 2.839 ( 1.064 0.495 -6.836) 6.936 2.996 ( -4.162 -0.821 4.182) 5.957 3.199 ( 7.182 -4.189 -2.412) 8.657 3.430 ( -5.000 -1.592 1.357) 5.420 3.554 ( -0.360 8.268 -2.716) 8.710 3.805 ( 7.742 2.970 1.273) 8.390 4.545 ( 6.606 -0.365 7.085) 9.694======================= Grid point 24 (18/231) =======================q-point: (-0.15 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.734 ( -14.408 -7.427 3.344) 16.551 1.007 ( -18.244 2.058 4.601) 18.928 1.540 ( -22.661 -4.969 -0.467) 23.204 2.395 ( 3.544 2.987 -7.309) 8.655 2.425 ( 1.248 -2.068 4.127) 4.782 2.833 ( 0.445 -2.164 -0.582) 2.285 2.937 ( -4.120 0.976 -1.023) 4.355 3.251 ( 3.899 -2.255 -1.891) 4.885 3.318 ( -6.670 -1.346 1.027) 6.882 3.583 ( -0.950 2.573 -1.746) 3.251 4.000 ( 10.788 3.061 -0.231) 11.217 4.668 ( 5.589 0.543 4.655) 7.294======================= Grid point 25 (19/231) =======================q-point: (-0.08 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.455 ( -14.580 -0.000 0.000) 14.580 0.710 ( -20.393 -0.000 0.000) 20.393 1.056 ( -29.947 -0.000 0.000) 29.947 2.469 ( 5.123 0.000 -0.000) 5.123 2.482 ( 4.171 0.000 -0.000) 4.171 2.812 ( -1.958 -0.000 0.000) 1.958 2.857 ( -5.686 -0.000 0.000) 5.686 3.213 ( -4.794 -0.000 0.000) 4.794 3.281 ( 1.575 0.000 -0.000) 1.575 3.581 ( 0.026 0.000 -0.000) 0.026 4.188 ( 9.623 0.000 -0.000) 9.623 4.758 ( 3.703 0.000 -0.000) 3.703======================= Grid point 28 (20/231) =======================q-point: ( 0.15 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.763 ( -0.000 16.346 9.954) 19.138 0.790 ( -0.000 18.286 3.776) 18.672 1.197 ( -0.000 27.926 2.338) 28.024 2.281 ( 0.000 -5.374 -9.723) 11.110 2.635 ( -0.000 -4.089 10.253) 11.039 2.665 ( 0.000 0.422 -11.406) 11.414 2.986 ( -0.000 4.831 8.023) 9.365 3.211 ( 0.000 6.796 -4.631) 8.224 3.245 ( 0.000 -1.078 -3.705) 3.859 3.544 ( 0.000 -2.043 -0.261) 2.060 4.135 ( -0.000 -10.741 1.243) 10.813 4.770 ( 0.000 -1.778 -1.378) 2.250======================= Grid point 29 (21/231) =======================q-point: ( 0.23 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.864 ( -4.277 17.018 9.063) 19.750 1.039 ( 4.030 16.571 -1.174) 17.095 1.524 ( 6.948 20.755 -1.410) 21.932 2.259 ( 6.154 -2.095 -4.646) 7.990 2.590 ( -4.350 -3.852 10.402) 11.915 2.647 ( 3.136 -0.934 -10.896) 11.377 3.061 ( 0.486 3.449 6.549) 7.417 3.220 ( -0.299 -2.762 -1.552) 3.182 3.289 ( 2.464 7.127 -3.223) 8.201 3.561 ( 4.094 -1.715 -0.421) 4.459 4.008 ( -3.047 -10.875 0.983) 11.336 4.685 ( -6.743 -2.183 -2.890) 7.655======================= Grid point 30 (22/231) =======================q-point: ( 0.31 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.008 ( -0.139 14.824 5.196) 15.709 1.233 ( 3.893 12.969 -3.915) 14.095 1.746 ( 3.872 11.536 -6.798) 13.939 2.432 ( 12.787 2.309 1.670) 13.101 2.504 ( -5.096 -2.772 8.312) 10.137 2.702 ( 7.089 1.434 -6.149) 9.493 3.095 ( -1.087 0.569 4.262) 4.435 3.169 ( -1.719 -3.722 2.444) 4.773 3.387 ( 2.836 4.978 -2.564) 6.277 3.622 ( 3.281 0.519 -0.256) 3.332 3.845 ( -5.106 -8.616 0.132) 10.016 4.510 ( -8.897 -3.264 -5.146) 10.783======================= Grid point 31 (23/231) =======================q-point: ( 0.38 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.153 ( 2.190 10.108 -0.098) 10.343 1.415 ( 5.340 11.438 -1.657) 12.732 1.880 ( 3.858 7.124 -2.487) 8.474 2.437 ( -3.628 0.005 4.974) 6.157 2.628 ( 10.038 -2.111 -3.534) 10.849 2.866 ( 6.860 3.581 -0.189) 7.741 3.056 ( 0.789 -4.621 3.587) 5.903 3.141 ( -3.572 3.665 5.503) 7.516 3.445 ( 1.204 1.050 -2.936) 3.343 3.655 ( -0.981 2.602 -1.255) 3.051 3.693 ( -5.595 -3.855 0.411) 6.807 4.325 ( -5.482 -5.308 -5.602) 9.466======================= Grid point 32 (24/231) =======================q-point: ( 0.46 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.281 ( 3.763 6.841 -1.746) 8.001 1.600 ( 3.871 9.895 0.319) 10.630 1.992 ( 4.253 1.814 3.391) 5.734 2.423 ( -1.986 5.039 0.092) 5.417 2.688 ( -0.203 -4.625 -1.787) 4.962 2.869 ( 3.445 -5.282 -3.842) 7.384 3.127 ( -5.285 4.662 4.152) 8.180 3.180 ( 6.259 5.076 4.488) 9.224 3.425 ( -0.243 -2.234 -3.407) 4.081 3.581 ( -7.714 1.144 1.759) 7.994 3.662 ( 0.101 2.982 -2.006) 3.596 4.210 ( 0.218 -6.682 -3.204) 7.414======================= Grid point 33 (25/231) =======================q-point: ( 0.54 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.383 ( 2.586 3.536 -1.848) 4.755 1.702 ( -0.910 5.325 1.246) 5.544 2.066 ( 1.913 -1.627 3.178) 4.050 2.452 ( -1.713 7.628 -3.756) 8.673 2.576 ( -2.635 -4.552 -0.434) 5.278 2.920 ( 0.926 2.862 1.343) 3.294 3.078 ( -1.750 -0.725 -1.428) 2.372 3.301 ( 2.520 4.588 -0.356) 5.247 3.424 ( 1.581 -0.024 0.446) 1.643 3.463 ( -8.470 1.643 2.195) 8.902 3.692 ( 1.204 0.886 -1.355) 2.018 4.176 ( 3.492 -6.137 0.030) 7.061======================= Grid point 34 (26/231) =======================q-point: (-0.38 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.403 ( -1.401 -0.857 -0.238) 1.659 1.694 ( -4.414 2.179 0.899) 5.004 2.009 ( -3.633 -4.712 -2.286) 6.374 2.485 ( -4.091 9.154 -2.225) 10.270 2.575 ( 4.766 -0.577 0.839) 4.873 2.904 ( -4.111 2.432 0.442) 4.797 3.086 ( 1.735 -1.046 -1.060) 2.287 3.317 ( -7.270 -0.256 0.964) 7.338 3.401 ( 1.564 4.699 -1.759) 5.256 3.466 ( 1.649 2.037 2.484) 3.611 3.697 ( -0.309 -0.280 -0.799) 0.901 4.206 ( 5.992 -5.327 2.785) 8.488======================= Grid point 35 (27/231) =======================q-point: (-0.31 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.332 ( -5.032 -3.276 2.970) 6.699 1.597 ( -8.501 -0.096 0.149) 8.503 1.924 ( -0.391 -2.789 -2.640) 3.860 2.456 ( -7.759 6.743 2.109) 10.493 2.654 ( 2.279 1.467 -4.769) 5.485 2.906 ( 4.871 -2.208 0.423) 5.365 3.034 ( -7.261 0.369 -4.749) 8.684 3.175 ( -7.082 -2.513 3.637) 8.348 3.473 ( 2.501 1.167 0.180) 2.765 3.547 ( 2.146 7.204 -0.463) 7.531 3.687 ( -0.391 0.294 0.426) 0.649 4.288 ( 8.144 -4.317 4.216) 10.136======================= Grid point 36 (28/231) =======================q-point: (-0.23 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.182 ( -10.750 -3.285 3.074) 11.653 1.448 ( -8.970 -0.107 0.817) 9.008 1.906 ( -0.557 -0.750 0.493) 1.056 2.403 ( -5.381 5.322 1.165) 7.657 2.593 ( -6.866 -4.226 -4.854) 9.411 2.876 ( -7.027 1.249 -3.875) 8.121 3.003 ( 6.566 -2.358 0.318) 6.984 3.089 ( -1.976 -0.872 1.674) 2.732 3.483 ( -1.884 -0.454 0.610) 2.032 3.635 ( -0.841 6.104 -1.592) 6.364 3.716 ( 4.877 0.121 0.971) 4.974 4.416 ( 9.197 -1.825 3.385) 9.969======================= Grid point 37 (29/231) =======================q-point: (-0.15 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.952 ( -14.623 -0.000 0.000) 14.623 1.279 ( -12.680 -0.000 0.000) 12.680 1.825 ( -11.489 -0.000 0.000) 11.489 2.394 ( -0.121 -0.000 0.000) 0.121 2.414 ( -5.805 -0.000 0.000) 5.805 2.820 ( -0.755 -0.000 0.000) 0.755 3.001 ( -3.105 -0.000 0.000) 3.105 3.149 ( 6.382 0.000 -0.000) 6.382 3.418 ( -5.472 -0.000 0.000) 5.472 3.625 ( -2.339 -0.000 0.000) 2.339 3.845 ( 9.193 0.000 -0.000) 9.193 4.561 ( 8.130 0.000 -0.000) 8.130======================= Grid point 42 (30/231) =======================q-point: ( 0.23 0.23 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.116 ( -0.000 14.855 5.432) 15.817 1.131 ( -0.000 14.764 2.159) 14.921 1.683 ( 0.000 21.500 -1.926) 21.586 2.152 ( 0.000 -2.457 -5.293) 5.835 2.572 ( 0.000 -0.098 -6.480) 6.481 2.626 ( -0.000 -5.440 8.591) 10.169 3.101 ( -0.000 2.476 2.387) 3.439 3.210 ( 0.000 0.271 -1.198) 1.228 3.333 ( 0.000 7.960 -3.601) 8.737 3.482 ( -0.000 -4.798 0.408) 4.815 3.931 ( -0.000 -10.345 0.662) 10.366 4.715 ( 0.000 -3.015 -1.763) 3.493======================= Grid point 43 (31/231) =======================q-point: ( 0.31 0.23 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.219 ( -3.816 13.515 4.209) 14.661 1.283 ( 2.160 10.505 -1.702) 10.859 1.827 ( -1.099 13.087 -5.225) 14.134 2.235 ( 10.683 0.296 -2.232) 10.918 2.566 ( -3.222 -5.079 7.268) 9.434 2.619 ( 4.866 5.653 -1.176) 7.551 3.096 ( -1.360 -2.319 -2.693) 3.806 3.210 ( -1.372 1.768 4.900) 5.387 3.400 ( 0.958 5.417 -2.814) 6.179 3.505 ( 7.267 -3.614 -0.258) 8.120 3.821 ( -2.524 -7.948 -0.479) 8.353 4.615 ( -7.154 -3.256 -2.517) 8.254======================= Grid point 44 (32/231) =======================q-point: ( 0.38 0.23 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.262 ( -2.162 7.515 -0.862) 7.868 1.447 ( 3.964 12.443 2.532) 13.302 1.909 ( 0.565 7.352 -1.187) 7.468 2.396 ( 11.346 -2.580 -6.865) 13.510 2.500 ( -2.638 -0.848 3.543) 4.498 2.813 ( 6.372 7.755 2.952) 10.462 3.019 ( -0.934 -4.119 0.571) 4.262 3.233 ( -0.762 3.098 4.692) 5.674 3.438 ( 0.167 1.588 -2.924) 3.332 3.610 ( 7.465 -1.654 -0.165) 7.647 3.702 ( -3.560 -5.012 -1.496) 6.327 4.421 ( -10.740 -3.301 -3.146) 11.667======================= Grid point 45 (33/231) =======================q-point: ( 0.46 0.23 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.321 ( 1.035 6.876 0.671) 6.986 1.645 ( 3.804 12.072 3.842) 13.228 1.968 ( 1.533 0.770 3.611) 3.998 2.485 ( 1.338 1.979 -2.969) 3.810 2.545 ( 8.665 0.150 -5.513) 10.271 2.803 ( -3.572 -5.802 -2.672) 7.318 3.136 ( 7.074 6.065 5.894) 11.025 3.268 ( -1.990 5.160 4.396) 7.065 3.398 ( -2.051 -3.330 -3.822) 5.468 3.619 ( -1.946 -1.712 -1.301) 2.900 3.700 ( 3.657 0.429 0.226) 3.689 4.207 ( -8.640 -4.057 -2.586) 9.889======================= Grid point 46 (34/231) =======================q-point: ( 0.54 0.23 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.407 ( 0.674 5.801 1.435) 6.014 1.789 ( -0.865 8.340 3.303) 9.012 2.018 ( 3.504 -1.347 4.782) 6.080 2.512 ( -1.954 1.644 -3.201) 4.095 2.575 ( 0.130 -2.297 -4.679) 5.214 2.803 ( 9.290 2.085 -4.004) 10.328 3.198 ( -7.545 -1.649 1.085) 7.799 3.294 ( 2.245 4.882 2.536) 5.942 3.393 ( 3.146 1.610 0.190) 3.539 3.559 ( -3.601 -2.944 0.779) 4.716 3.740 ( -1.344 4.577 -0.835) 4.843 4.073 ( -0.595 -6.226 -0.612) 6.284======================= Grid point 47 (35/231) =======================q-point: (-0.38 0.23 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.439 ( -2.208 2.288 0.555) 3.228 1.805 ( -4.532 4.566 2.450) 6.884 2.023 ( -2.859 -3.887 -0.401) 4.841 2.477 ( 3.803 -1.528 -0.854) 4.186 2.603 ( -0.604 6.265 -3.066) 7.001 3.000 ( 9.424 3.434 -2.025) 10.233 3.037 ( -8.531 -1.300 1.150) 8.706 3.372 ( 2.110 2.325 -0.847) 3.252 3.426 ( -4.816 -1.496 1.487) 5.258 3.469 ( 0.071 -0.700 1.804) 1.937 3.749 ( -2.954 5.901 -1.305) 6.726 4.055 ( 5.363 -7.065 1.445) 8.987======================= Grid point 48 (36/231) =======================q-point: (-0.31 0.23 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.390 ( -4.227 -0.471 0.259) 4.261 1.746 ( -8.146 2.236 0.917) 8.497 1.911 ( -2.633 -3.331 -1.780) 4.604 2.569 ( 4.745 -0.353 0.602) 4.796 2.637 ( -1.270 6.673 -1.689) 6.999 2.877 ( -5.604 -3.817 0.163) 6.782 3.139 ( -1.176 5.859 -1.258) 6.107 3.279 ( -7.254 -4.758 2.145) 8.936 3.416 ( 3.141 0.138 -0.676) 3.216 3.526 ( 4.097 1.179 0.417) 4.284 3.746 ( -3.123 4.382 -0.826) 5.444 4.116 ( 8.143 -4.579 1.874) 9.528======================= Grid point 49 (37/231) =======================q-point: (-0.23 0.23 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.308 ( -5.687 -0.000 0.000) 5.687 1.597 ( -9.708 -0.000 0.000) 9.708 1.888 ( 0.961 0.000 -0.000) 0.961 2.549 ( -6.561 -0.000 0.000) 6.561 2.644 ( -2.650 -0.000 0.000) 2.650 2.863 ( 6.575 0.000 -0.000) 6.575 3.043 ( -11.200 -0.000 0.000) 11.200 3.154 ( -5.059 -0.000 0.000) 5.059 3.477 ( 2.650 0.000 -0.000) 2.650 3.610 ( 5.037 0.000 -0.000) 5.037 3.718 ( -2.630 -0.000 0.000) 2.630 4.249 ( 9.832 0.000 -0.000) 9.832======================= Grid point 56 (38/231) =======================q-point: ( 0.31 0.31 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.342 ( 0.000 6.392 -3.049) 7.081 1.360 ( 0.000 8.720 -2.176) 8.987 1.935 ( 0.000 7.366 -5.279) 9.063 2.156 ( -0.000 4.323 3.389) 5.493 2.553 ( -0.000 -5.398 5.272) 7.545 2.663 ( -0.000 10.899 3.016) 11.309 3.080 ( 0.000 -1.880 -5.950) 6.239 3.267 ( -0.000 2.974 4.208) 5.153 3.344 ( -0.000 -9.134 1.896) 9.329 3.460 ( 0.000 5.918 -2.569) 6.452 3.777 ( 0.000 -5.309 -1.464) 5.507 4.635 ( 0.000 -3.950 -2.205) 4.524======================= Grid point 57 (39/231) =======================q-point: ( 0.38 0.31 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.318 ( -2.047 1.484 -5.932) 6.448 1.493 ( 5.902 8.022 -0.840) 9.995 1.963 ( -0.321 2.513 -0.789) 2.654 2.252 ( 3.037 3.976 1.961) 5.374 2.527 ( -0.245 -0.468 2.704) 2.756 2.833 ( 3.470 11.962 3.746) 13.006 3.009 ( -2.151 -3.215 -3.030) 4.914 3.249 ( 0.435 -2.998 1.873) 3.562 3.387 ( 6.490 -2.535 1.975) 7.242 3.509 ( 1.372 3.267 -1.751) 3.953 3.710 ( -2.324 -3.118 -2.351) 4.544 4.532 ( -6.696 -3.724 -2.307) 8.002======================= Grid point 58 (40/231) =======================q-point: ( 0.46 0.31 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.330 ( 3.085 2.451 -1.785) 4.326 1.690 ( 7.447 8.799 2.357) 11.766 1.967 ( 0.121 -1.605 2.449) 2.931 2.327 ( 4.407 0.227 -2.517) 5.081 2.567 ( 0.286 6.326 -0.077) 6.333 2.823 ( -4.917 -3.559 -3.761) 7.140 3.110 ( 5.824 7.240 6.590) 11.391 3.257 ( 3.912 -2.905 -1.671) 5.151 3.434 ( -1.653 0.913 0.882) 2.085 3.577 ( 6.733 -1.613 0.016) 6.924 3.640 ( -2.449 -1.048 -2.155) 3.426 4.346 ( -10.547 -2.662 -1.924) 11.047======================= Grid point 59 (41/231) =======================q-point: ( 0.54 0.31 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.428 ( 3.912 3.677 1.365) 5.539 1.893 ( 3.077 9.761 4.545) 11.199 1.965 ( 1.766 -2.547 4.001) 5.062 2.415 ( 9.254 -1.654 -5.434) 10.858 2.554 ( -4.948 -4.019 -2.122) 6.719 2.774 ( 0.410 7.741 -3.631) 8.560 3.188 ( 1.303 -5.997 0.902) 6.203 3.350 ( 5.430 3.959 0.935) 6.785 3.392 ( -4.395 3.663 1.576) 5.935 3.586 ( -2.670 -1.460 0.019) 3.043 3.688 ( 7.806 -1.325 -0.483) 7.932 4.142 ( -10.513 -1.724 -0.975) 10.698======================= Grid point 60 (42/231) =======================q-point: ( 0.62 0.31 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.495 ( -0.376 2.082 1.197) 2.430 1.938 ( -3.641 4.336 2.714) 6.279 2.018 ( -0.078 -0.721 1.569) 1.728 2.425 ( -1.410 -3.523 -1.831) 4.214 2.565 ( 9.371 0.408 -2.748) 9.774 2.895 ( 5.772 7.415 -2.546) 9.735 3.105 ( -3.314 -6.139 0.273) 6.981 3.393 ( -0.841 3.618 0.823) 3.804 3.444 ( 1.832 1.185 1.198) 2.489 3.505 ( -4.954 -2.380 0.451) 5.515 3.805 ( 5.973 2.508 -0.782) 6.525 3.975 ( -6.212 -3.371 0.330) 7.075======================= Grid point 61 (43/231) =======================q-point: (-0.31 0.31 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.464 ( -4.162 -0.000 0.000) 4.162 1.899 ( -6.706 -0.000 0.000) 6.706 1.938 ( -4.219 -0.000 0.000) 4.219 2.460 ( 6.151 0.000 -0.000) 6.151 2.663 ( 2.171 0.000 -0.000) 2.171 2.981 ( -7.320 -0.000 0.000) 7.320 3.080 ( 10.505 0.000 -0.000) 10.505 3.359 ( -6.399 -0.000 0.000) 6.399 3.430 ( -2.402 -0.000 0.000) 2.402 3.471 ( 2.453 0.000 -0.000) 2.453 3.842 ( -5.517 -0.000 0.000) 5.517 3.957 ( 8.190 0.000 -0.000) 8.190======================= Grid point 70 (44/231) =======================q-point: ( 0.38 0.38 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.329 ( 0.000 -2.674 -7.955) 8.392 1.431 ( 0.000 2.456 -5.482) 6.007 1.963 ( -0.000 -1.920 0.823) 2.089 2.344 ( -0.000 9.697 9.111) 13.306 2.535 ( -0.000 2.554 1.144) 2.798 2.950 ( -0.000 13.928 3.918) 14.468 2.981 ( 0.000 -3.996 -7.529) 8.524 3.164 ( -0.000 -10.522 3.590) 11.118 3.341 ( -0.000 2.171 2.878) 3.605 3.532 ( 0.000 2.625 -1.812) 3.190 3.696 ( 0.000 -2.101 -2.820) 3.516 4.543 ( 0.000 -3.892 -2.061) 4.404======================= Grid point 71 (45/231) =======================q-point: ( 0.46 0.38 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.279 ( 2.081 -1.233 -4.072) 4.736 1.545 ( 11.651 0.739 -4.391) 12.473 1.941 ( 0.313 -3.371 1.712) 3.794 2.408 ( -5.209 8.005 6.567) 11.591 2.612 ( 1.974 6.400 1.019) 6.774 2.858 ( -4.503 -3.504 -5.657) 8.035 3.113 ( 4.980 -8.685 -1.261) 10.091 3.136 ( 3.178 9.583 5.680) 11.585 3.407 ( 4.445 1.126 2.306) 5.132 3.532 ( -0.832 -0.040 -1.989) 2.157 3.659 ( -1.529 -0.861 -2.096) 2.734 4.454 ( -5.856 -2.790 -1.551) 6.669======================= Grid point 72 (46/231) =======================q-point: ( 0.54 0.38 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.357 ( 6.912 0.927 -0.066) 6.975 1.779 ( 15.842 1.167 -0.703) 15.900 1.931 ( 1.175 -1.912 0.791) 2.380 2.401 ( -4.919 5.946 3.022) 8.287 2.590 ( -5.338 -4.992 -1.894) 7.550 2.841 ( 0.724 8.404 -2.247) 8.729 3.083 ( 2.908 -8.639 0.074) 9.116 3.304 ( 5.623 4.946 2.067) 7.768 3.471 ( -1.787 1.246 0.171) 2.185 3.538 ( 6.682 -1.854 -0.453) 6.949 3.620 ( -2.216 -0.258 -0.567) 2.301 4.300 ( -9.598 -1.085 -0.728) 9.687======================= Grid point 73 (47/231) =======================q-point: (-0.38 -0.62 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.470 ( 4.898 0.000 -0.000) 4.898 1.949 ( 1.866 0.000 -0.000) 1.866 2.016 ( 7.627 0.000 -0.000) 7.627 2.405 ( 3.905 0.000 -0.000) 3.905 2.456 ( -5.108 -0.000 0.000) 5.108 2.900 ( 0.292 0.000 -0.000) 0.292 3.073 ( 1.707 0.000 -0.000) 1.707 3.410 ( 3.813 0.000 -0.000) 3.813 3.437 ( -2.149 -0.000 0.000) 2.149 3.569 ( -3.750 -0.000 0.000) 3.750 3.666 ( 9.101 0.000 -0.000) 9.101 4.123 ( -10.691 -0.000 0.000) 10.691======================= Grid point 85 (48/231) =======================q-point: ( 0.46 0.46 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.222 ( 0.000 -2.606 -4.000) 4.774 1.427 ( 0.000 0.389 -2.401) 2.432 1.913 ( -0.000 -2.544 1.225) 2.824 2.589 ( -0.000 8.687 8.831) 12.388 2.640 ( 0.000 5.913 -0.451) 5.930 2.833 ( 0.000 -6.038 -7.883) 9.930 2.978 ( -0.000 -6.770 0.659) 6.802 3.213 ( -0.000 6.909 4.104) 8.036 3.382 ( -0.000 0.774 0.978) 1.247 3.529 ( 0.000 -1.119 -1.798) 2.118 3.659 ( 0.000 -0.379 -1.323) 1.376 4.475 ( 0.000 -1.768 -0.888) 1.979======================= Grid point 86 (49/231) =======================q-point: (-0.46 -0.54 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.249 ( 5.369 0.000 -0.000) 5.369 1.530 ( 11.978 0.000 -0.000) 11.978 1.907 ( 0.584 0.000 -0.000) 0.584 2.574 ( -7.879 -0.000 0.000) 7.879 2.629 ( -3.875 -0.000 0.000) 3.875 2.847 ( 4.835 0.000 -0.000) 4.835 2.971 ( 2.976 0.000 -0.000) 2.976 3.270 ( 2.213 0.000 -0.000) 2.213 3.427 ( 4.489 0.000 -0.000) 4.489 3.508 ( -1.321 -0.000 0.000) 1.321 3.646 ( -1.137 -0.000 0.000) 1.137 4.420 ( -5.416 -0.000 0.000) 5.416======================= Grid point 187 (50/231) =======================q-point: ( 0.08 0.08 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 231Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.182 ( -0.000 0.000 18.880) 18.880 0.182 ( -0.000 0.000 18.880) 18.880 0.266 ( -0.000 0.000 27.731) 27.731 2.542 ( 0.000 -0.000 -11.489) 11.489 2.542 ( 0.000 -0.000 -11.489) 11.489 2.752 ( -0.000 0.000 10.160) 10.160 2.752 ( -0.000 0.000 10.160) 10.160 3.127 ( 0.000 -0.000 -5.375) 5.375 3.294 ( 0.000 -0.000 -0.567) 0.567 3.294 ( 0.000 -0.000 -0.567) 0.567 4.282 ( -0.000 0.000 3.016) 3.016 4.755 ( 0.000 -0.000 -0.777) 0.777======================= Grid point 188 (51/231) =======================q-point: ( 0.15 0.08 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.304 ( 10.091 5.826 6.326) 13.259 0.338 ( 10.865 6.273 6.886) 14.311 0.783 ( 24.005 13.859 14.316) 31.197 2.412 ( -3.148 -1.817 -11.251) 11.824 2.616 ( 3.721 2.149 -8.981) 9.956 2.673 ( -3.860 -2.228 7.650) 8.854 2.906 ( 5.053 2.917 9.749) 11.361 3.115 ( 2.262 1.306 -7.167) 7.628 3.313 ( 0.773 0.446 0.965) 1.314 3.570 ( 4.644 2.681 -4.077) 6.737 4.305 ( -3.763 -2.173 0.643) 4.393 4.725 ( -2.883 -1.664 -6.574) 7.369======================= Grid point 189 (52/231) =======================q-point: ( 0.23 0.08 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.581 ( 13.495 7.791 -0.131) 15.583 0.619 ( 12.910 7.453 -1.555) 14.987 1.299 ( 19.051 10.999 3.842) 22.331 2.363 ( 2.000 1.155 -5.094) 5.593 2.569 ( -5.238 -3.024 8.906) 10.766 2.716 ( 5.312 3.067 -9.933) 11.674 2.997 ( 0.722 0.417 6.604) 6.657 3.201 ( 6.434 3.715 -2.710) 7.908 3.331 ( 0.350 0.202 1.962) 2.003 3.606 ( -0.324 -0.187 2.448) 2.477 4.150 ( -10.082 -5.821 2.281) 11.863 4.616 ( -4.118 -2.378 -10.277) 11.324======================= Grid point 190 (53/231) =======================q-point: ( 0.31 0.08 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.879 ( 11.543 6.664 -5.983) 14.610 0.885 ( 14.274 8.241 -2.976) 16.749 1.618 ( 10.760 6.212 -6.131) 13.854 2.484 ( -5.002 -2.888 9.603) 11.207 2.501 ( 10.058 5.807 5.830) 12.995 2.807 ( 5.729 3.308 -9.977) 11.971 3.004 ( -1.749 -1.010 6.840) 7.132 3.334 ( 5.665 3.270 -1.746) 6.770 3.339 ( -0.303 -0.175 2.465) 2.490 3.571 ( -4.272 -2.467 4.036) 6.374 3.906 ( -11.433 -6.601 0.178) 13.203 4.493 ( -3.668 -2.118 -11.171) 11.947======================= Grid point 191 (54/231) =======================q-point: ( 0.38 0.08 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.088 ( 9.581 5.531 -8.006) 13.656 1.179 ( 13.188 7.614 -4.676) 15.930 1.799 ( 8.503 4.909 -4.965) 11.002 2.411 ( -4.418 -2.551 9.738) 10.993 2.759 ( 8.246 4.761 7.672) 12.228 2.903 ( 5.751 3.320 -9.260) 11.395 2.975 ( -2.147 -1.240 9.164) 9.493 3.333 ( -1.060 -0.612 2.819) 3.073 3.383 ( -6.621 -3.823 -0.767) 7.684 3.461 ( -0.486 -0.280 1.163) 1.291 3.705 ( -5.246 -3.029 -3.670) 7.082 4.394 ( -2.375 -1.371 -8.321) 8.761======================= Grid point 192 (55/231) =======================q-point: ( 0.46 0.08 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.259 ( 8.100 4.677 -6.926) 11.639 1.424 ( 10.233 5.908 -5.488) 13.029 1.980 ( 8.410 4.855 -0.949) 9.757 2.348 ( -4.094 -2.364 9.103) 10.257 2.774 ( -6.700 -3.868 5.275) 9.364 2.980 ( -4.151 -2.397 2.916) 5.610 3.000 ( 5.463 3.154 -8.112) 10.276 3.244 ( -0.607 -0.350 5.165) 5.212 3.310 ( -1.870 -1.080 3.371) 4.004 3.459 ( -1.263 -0.729 -3.095) 3.421 3.669 ( 2.578 1.488 -3.546) 4.630 4.332 ( -1.572 -0.908 -4.007) 4.399======================= Grid point 193 (56/231) =======================q-point: ( 0.54 0.08 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.390 ( 4.964 2.866 -4.407) 7.230 1.584 ( 5.501 3.176 -4.679) 7.889 2.123 ( 3.447 1.990 -1.701) 4.328 2.285 ( -3.817 -2.204 6.669) 7.994 2.628 ( -5.089 -2.938 2.040) 6.220 2.861 ( -4.210 -2.431 1.519) 5.093 3.090 ( 4.715 2.722 -6.615) 8.567 3.272 ( -2.606 -1.504 4.182) 5.152 3.279 ( -0.411 -0.237 1.715) 1.779 3.440 ( 0.896 0.518 -0.215) 1.057 3.731 ( 2.495 1.440 -1.968) 3.489 4.305 ( 0.028 0.016 0.147) 0.151======================= Grid point 194 (57/231) =======================q-point: (-0.38 0.08 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.432 ( -0.537 -0.310 -0.255) 0.670 1.625 ( -1.235 -0.713 -1.124) 1.816 2.098 ( -3.417 -1.973 -4.525) 6.004 2.229 ( -2.157 -1.245 1.457) 2.886 2.597 ( 0.706 0.408 0.064) 0.818 2.866 ( 4.356 2.515 1.545) 5.262 3.157 ( 2.226 1.285 -3.452) 4.304 3.221 ( -4.209 -2.430 -3.636) 6.070 3.228 ( -1.940 -1.120 3.413) 4.083 3.480 ( 1.763 1.018 3.148) 3.749 3.742 ( -0.885 -0.511 -0.718) 1.249 4.344 ( 2.809 1.622 3.785) 4.985======================= Grid point 195 (58/231) =======================q-point: (-0.31 0.08 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.379 ( -4.687 -2.706 5.031) 7.389 1.519 ( -8.562 -4.943 3.418) 10.461 1.998 ( -4.423 -2.554 0.290) 5.115 2.210 ( 0.931 0.538 -4.449) 4.578 2.633 ( 3.268 1.887 -7.458) 8.358 2.929 ( -4.720 -2.725 -2.446) 5.974 3.134 ( -3.593 -2.074 5.239) 6.683 3.162 ( 5.132 2.963 -3.165) 6.718 3.239 ( 1.981 1.143 -3.378) 4.079 3.517 ( 0.053 0.031 2.515) 2.515 3.719 ( -0.362 -0.209 1.638) 1.690 4.439 ( 4.101 2.368 6.205) 7.806======================= Grid point 196 (59/231) =======================q-point: (-0.23 0.08 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.251 ( -9.113 -5.262 7.952) 13.190 1.287 ( -13.338 -7.701 5.848) 16.474 1.909 ( -5.521 -3.188 5.806) 8.623 2.238 ( 3.251 1.877 -7.782) 8.640 2.613 ( -6.596 -3.808 -7.118) 10.424 2.776 ( -0.092 -0.053 -10.068) 10.068 3.062 ( -4.560 -2.633 7.155) 8.884 3.266 ( 1.407 0.812 -3.985) 4.303 3.351 ( 9.306 5.373 -2.069) 10.943 3.479 ( -3.755 -2.168 1.131) 4.480 3.763 ( 3.945 2.278 2.239) 5.076 4.556 ( 4.350 2.511 7.274) 8.840======================= Grid point 197 (60/231) =======================q-point: (-0.15 0.08 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.987 ( -15.260 -8.811 7.032) 18.973 1.027 ( -13.174 -7.606 8.034) 17.203 1.691 ( -16.961 -9.792 1.242) 19.624 2.299 ( 4.597 2.654 -9.336) 10.739 2.475 ( -1.810 -1.045 3.567) 4.134 2.797 ( 2.870 1.657 -12.809) 13.231 2.982 ( -4.803 -2.773 8.240) 9.932 3.277 ( 0.787 0.455 -3.932) 4.036 3.367 ( -5.763 -3.327 0.363) 6.664 3.502 ( 4.242 2.449 -2.624) 5.557 3.914 ( 9.018 5.207 0.875) 10.450 4.670 ( 3.917 2.262 6.373) 7.815======================= Grid point 198 (61/231) =======================q-point: (-0.08 0.08 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.673 ( -15.202 -8.777 8.559) 19.529 0.735 ( -15.351 -8.863 7.536) 19.261 1.203 ( -25.292 -14.603 -3.490) 29.413 2.377 ( 5.250 3.031 -10.333) 11.980 2.528 ( 2.822 1.629 11.018) 11.490 2.788 ( -0.314 -0.181 -12.971) 12.976 2.904 ( -4.778 -2.759 9.177) 10.708 3.239 ( -5.099 -2.944 -1.103) 5.990 3.279 ( 0.546 0.315 -3.401) 3.459 3.553 ( 1.659 0.958 -1.827) 2.647 4.129 ( 9.402 5.428 0.076) 10.857 4.761 ( 2.672 1.543 3.499) 4.665======================= Grid point 201 (62/231) =======================q-point: ( 0.15 0.15 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.421 ( -0.000 19.575 2.747) 19.767 0.510 ( -0.000 13.679 14.182) 19.704 0.729 ( -0.000 22.034 16.429) 27.485 2.355 ( 0.000 -5.774 -10.983) 12.408 2.578 ( 0.000 4.567 -12.119) 12.951 2.736 ( -0.000 -3.181 10.222) 10.705 2.919 ( -0.000 5.113 8.936) 10.295 3.093 ( 0.000 3.051 -8.078) 8.635 3.259 ( 0.000 -1.535 -2.655) 3.067 3.538 ( 0.000 4.575 -3.724) 5.899 4.301 ( -0.000 -4.823 1.486) 5.047 4.765 ( 0.000 1.171 -5.038) 5.172======================= Grid point 202 (63/231) =======================q-point: ( 0.23 0.15 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.593 ( -2.991 14.163 12.181) 18.919 0.662 ( 2.930 20.960 -1.469) 21.215 1.158 ( 15.157 17.259 6.957) 24.000 2.293 ( 2.803 -3.103 -7.489) 8.577 2.605 ( 3.365 1.935 -11.130) 11.788 2.683 ( -5.136 -2.439 9.597) 11.154 3.016 ( 1.529 3.292 5.742) 6.793 3.143 ( 4.113 5.610 -4.719) 8.406 3.278 ( 3.650 -3.020 -0.417) 4.756 3.583 ( 2.839 -0.206 -0.414) 2.877 4.208 ( -4.159 -8.738 2.228) 9.930 4.683 ( -7.310 0.577 -6.692) 9.927======================= Grid point 203 (64/231) =======================q-point: ( 0.31 0.15 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.761 ( 4.073 11.989 6.044) 14.030 0.907 ( 4.711 18.397 -4.403) 19.494 1.506 ( 9.905 10.743 -4.775) 15.373 2.389 ( 10.296 2.616 2.605) 10.938 2.583 ( -5.741 -1.644 8.598) 10.468 2.676 ( 6.372 -0.525 -8.977) 11.021 3.061 ( -1.081 3.376 3.273) 4.825 3.254 ( 4.364 -0.509 -2.612) 5.111 3.309 ( 3.103 -0.300 2.875) 4.241 3.615 ( 0.724 -0.024 1.408) 1.584 4.019 ( -8.846 -8.835 1.883) 12.643 4.526 ( -7.542 -0.934 -9.338) 12.040======================= Grid point 204 (65/231) =======================q-point: ( 0.38 0.15 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.964 ( 6.752 8.641 -0.733) 10.990 1.143 ( 6.073 15.589 -4.682) 17.373 1.706 ( 7.579 7.896 -6.347) 12.652 2.496 ( -4.943 -2.346 9.106) 10.623 2.640 ( 11.882 1.725 3.456) 12.494 2.781 ( 8.313 2.866 -4.618) 9.932 3.070 ( -3.196 3.302 5.184) 6.928 3.237 ( 1.194 -8.999 0.600) 9.097 3.394 ( 3.375 2.886 -1.050) 4.563 3.600 ( -4.921 2.446 1.582) 5.719 3.785 ( -10.175 -5.598 -0.467) 11.623 4.382 ( -3.526 -2.904 -8.713) 9.838======================= Grid point 205 (66/231) =======================q-point: ( 0.46 0.15 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.141 ( 7.324 6.181 -4.313) 10.509 1.372 ( 6.297 13.025 -3.719) 14.938 1.894 ( 7.926 7.056 -1.874) 10.776 2.426 ( -4.230 -2.198 8.519) 9.763 2.766 ( 4.747 -4.351 -1.795) 6.684 2.929 ( 3.538 1.245 -3.174) 4.913 3.061 ( -4.545 3.098 5.634) 7.874 3.174 ( 3.157 -5.407 4.087) 7.477 3.436 ( -0.594 0.874 -2.569) 2.778 3.515 ( -9.666 4.624 2.367) 10.973 3.639 ( -0.696 -0.974 -4.247) 4.413 4.303 ( 0.090 -3.961 -4.613) 6.081======================= Grid point 206 (67/231) =======================q-point: ( 0.54 0.15 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.295 ( 6.748 4.111 -4.857) 9.275 1.557 ( 3.683 9.570 -3.177) 10.735 2.066 ( 5.553 3.447 0.683) 6.572 2.369 ( -3.915 -0.279 5.680) 6.904 2.681 ( -5.371 -6.375 -0.909) 8.386 2.923 ( -2.062 -2.516 0.926) 3.382 3.036 ( 0.523 3.927 -3.689) 5.413 3.253 ( 2.412 0.550 3.763) 4.504 3.407 ( -7.391 4.525 2.961) 9.158 3.425 ( 0.130 -0.503 -1.774) 1.848 3.676 ( 3.916 0.991 -2.803) 4.917 4.272 ( 1.692 -3.747 -0.572) 4.151======================= Grid point 207 (68/231) =======================q-point: (-0.38 0.15 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.395 ( 3.587 0.998 -3.743) 5.280 1.643 ( -0.489 4.271 -1.575) 4.578 2.091 ( -2.261 -3.485 -2.009) 4.615 2.330 ( -4.209 4.151 0.674) 5.949 2.600 ( 0.448 -1.431 1.889) 2.412 2.861 ( -2.960 1.232 2.590) 4.122 3.100 ( 3.814 1.072 -4.677) 6.130 3.266 ( -1.660 2.210 -1.609) 3.198 3.326 ( -6.661 2.114 3.127) 7.656 3.463 ( 2.305 0.609 2.475) 3.437 3.719 ( 1.813 -1.178 -1.886) 2.869 4.291 ( 4.073 -2.554 2.718) 5.523======================= Grid point 208 (69/231) =======================q-point: (-0.31 0.15 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.405 ( -0.747 -2.514 0.748) 2.727 1.610 ( -5.434 -0.714 0.567) 5.510 1.991 ( -1.813 -4.934 -2.613) 5.871 2.306 ( -5.788 7.462 -1.121) 9.510 2.608 ( 0.031 1.322 -2.262) 2.620 2.909 ( 5.175 0.763 1.454) 5.429 3.081 ( -3.206 -4.795 -3.954) 6.993 3.216 ( -5.358 -0.023 2.106) 5.757 3.312 ( -0.835 9.348 -1.922) 9.580 3.512 ( 1.716 0.149 2.877) 3.353 3.712 ( 0.361 -1.858 -0.210) 1.904 4.370 ( 6.307 -2.014 4.790) 8.171======================= Grid point 209 (70/231) =======================q-point: (-0.23 0.15 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.320 ( -6.370 -7.174 6.392) 11.528 1.467 ( -9.353 -2.059 1.490) 9.692 1.942 ( -0.100 -2.768 0.776) 2.877 2.277 ( -5.052 7.167 -1.395) 8.879 2.613 ( -0.113 0.454 -8.129) 8.142 2.841 ( -10.309 -1.905 -4.907) 11.575 3.072 ( 8.002 -4.218 -1.372) 9.149 3.142 ( -3.004 -2.345 5.325) 6.548 3.412 ( 0.590 11.933 -3.094) 12.342 3.519 ( -1.861 -0.332 1.174) 2.225 3.724 ( 2.687 -0.374 1.424) 3.064 4.482 ( 7.250 -1.986 5.459) 9.290======================= Grid point 210 (71/231) =======================q-point: (-0.15 0.15 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.089 ( -12.276 -11.159 7.219) 18.092 1.286 ( -12.711 -0.536 2.717) 13.009 1.868 ( -9.185 -3.845 1.991) 10.154 2.279 ( -1.446 6.163 -4.133) 7.560 2.500 ( -4.404 -4.313 -0.988) 6.243 2.750 ( 0.086 3.458 -10.145) 10.719 3.054 ( -3.726 -2.789 6.552) 8.037 3.178 ( 6.281 -3.225 -1.820) 7.291 3.435 ( -4.818 -1.524 -0.365) 5.067 3.530 ( -0.519 8.693 -2.222) 8.988 3.816 ( 7.364 2.171 0.927) 7.733 4.599 ( 7.024 -1.879 4.225) 8.410======================= Grid point 211 (72/231) =======================q-point: (-0.08 0.15 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.785 ( -13.757 -10.905 7.130) 18.947 1.038 ( -17.167 -1.346 1.673) 17.301 1.533 ( -23.968 -4.634 -0.840) 24.426 2.317 ( 1.957 4.777 -7.485) 9.092 2.495 ( 3.892 -2.175 9.095) 10.128 2.756 ( 0.300 2.703 -11.363) 11.684 2.989 ( -4.049 -1.920 7.971) 9.144 3.234 ( 3.518 -0.526 -1.612) 3.905 3.315 ( -6.806 -1.506 -1.660) 7.165 3.568 ( -0.935 3.817 -1.182) 4.104 4.001 ( 10.641 2.864 0.464) 11.030 4.695 ( 5.650 -2.322 0.866) 6.170======================= Grid point 215 (73/231) =======================q-point: ( 0.23 0.23 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.810 ( -0.000 19.095 1.025) 19.122 0.856 ( -0.000 14.353 9.293) 17.099 1.241 ( -0.000 23.169 6.171) 23.976 2.195 ( 0.000 -4.158 -8.100) 9.105 2.548 ( 0.000 0.544 -11.025) 11.039 2.748 ( -0.000 -3.297 11.389) 11.856 3.055 ( -0.000 3.671 6.086) 7.107 3.157 ( 0.000 8.150 -6.555) 10.459 3.211 ( 0.000 -1.086 -3.162) 3.343 3.546 ( -0.000 -1.686 0.507) 1.760 4.151 ( -0.000 -11.148 2.095) 11.343 4.738 ( 0.000 -0.505 -5.220) 5.244======================= Grid point 216 (74/231) =======================q-point: ( 0.31 0.23 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.948 ( -3.711 15.606 7.839) 17.854 1.024 ( 1.261 16.598 -1.068) 16.680 1.501 ( 3.956 17.069 -3.529) 17.873 2.228 ( 9.537 -0.490 -2.274) 9.817 2.555 ( 3.975 0.984 -7.424) 8.479 2.694 ( -5.475 -3.964 10.875) 12.804 3.104 ( 0.817 1.690 2.206) 2.896 3.195 ( 0.459 1.526 -4.314) 4.599 3.271 ( 4.039 4.498 0.505) 6.066 3.561 ( 3.824 -2.022 0.426) 4.347 4.019 ( -3.160 -11.619 1.301) 12.111 4.642 ( -7.942 -0.805 -5.987) 9.978======================= Grid point 217 (75/231) =======================q-point: ( 0.38 0.23 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.057 ( -2.446 13.255 4.066) 14.079 1.202 ( 3.445 14.457 -1.774) 14.967 1.679 ( 4.148 12.561 -7.025) 14.978 2.420 ( 12.701 -1.467 -4.712) 13.626 2.590 ( -5.572 -4.306 9.507) 11.831 2.679 ( 8.513 6.176 1.915) 10.690 3.115 ( 0.721 -3.808 0.128) 3.878 3.191 ( -1.757 1.847 1.305) 2.864 3.369 ( 2.834 3.468 -0.731) 4.538 3.619 ( 3.295 -0.050 -0.298) 3.308 3.849 ( -4.929 -9.477 0.811) 10.713 4.452 ( -10.111 -1.501 -6.800) 12.276======================= Grid point 218 (76/231) =======================q-point: ( 0.46 0.23 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.156 ( 0.521 10.168 0.447) 10.191 1.407 ( 4.765 13.978 0.298) 14.771 1.853 ( 5.491 10.017 -2.935) 11.794 2.496 ( -4.053 -3.113 6.973) 8.645 2.569 ( 11.103 -3.565 -7.871) 14.069 2.875 ( 3.679 0.982 1.429) 4.068 3.090 ( 3.759 -2.392 3.521) 5.679 3.190 ( -3.494 4.552 4.332) 7.190 3.418 ( 1.002 0.278 -2.549) 2.753 3.629 ( -1.463 0.156 -3.681) 3.964 3.709 ( -5.406 -1.911 2.380) 6.208 4.273 ( -5.178 -3.771 -5.104) 8.190======================= Grid point 219 (77/231) =======================q-point: ( 0.54 0.23 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.271 ( 2.241 8.271 -0.364) 8.577 1.604 ( 2.966 11.990 0.575) 12.365 2.017 ( 5.337 4.665 1.672) 7.282 2.438 ( -2.947 0.252 3.123) 4.301 2.655 ( 2.448 -4.784 -5.108) 7.414 2.827 ( 3.240 -5.118 -4.752) 7.699 3.165 ( -6.705 4.656 3.793) 9.002 3.228 ( 4.512 3.221 5.132) 7.554 3.396 ( 0.704 -1.767 -2.436) 3.091 3.589 ( -4.874 0.113 -0.384) 4.891 3.644 ( -2.173 4.687 -1.281) 5.323 4.189 ( 1.357 -5.840 -1.268) 6.128======================= Grid point 220 (78/231) =======================q-point: ( 0.62 0.23 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.366 ( 1.408 5.106 -1.501) 5.505 1.714 ( -1.311 6.976 1.108) 7.184 2.090 ( -0.269 -2.034 1.603) 2.603 2.420 ( -2.142 4.627 -2.571) 5.710 2.566 ( -0.445 -3.795 -1.407) 4.072 2.925 ( 5.992 2.394 -0.624) 6.482 3.068 ( -6.166 -0.019 -0.573) 6.192 3.300 ( 0.610 3.307 0.075) 3.364 3.434 ( 2.722 1.029 1.581) 3.312 3.484 ( -7.890 1.402 1.953) 8.248 3.675 ( 1.302 1.309 -2.101) 2.797 4.185 ( 4.559 -5.760 1.630) 7.525======================= Grid point 221 (79/231) =======================q-point: (-0.31 0.23 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.395 ( -0.669 0.599 -1.402) 1.665 1.709 ( -4.994 2.464 2.056) 5.936 1.991 ( -4.644 -5.168 -1.371) 7.082 2.448 ( -1.977 9.387 -4.890) 10.767 2.587 ( 3.467 -1.112 1.379) 3.894 2.913 ( -5.394 1.003 1.117) 5.599 3.072 ( 2.067 0.151 -1.543) 2.584 3.317 ( -4.286 2.632 -1.148) 5.159 3.396 ( -1.967 2.041 1.114) 3.045 3.492 ( 2.031 1.597 2.767) 3.786 3.685 ( 0.250 -0.051 -1.649) 1.668 4.235 ( 6.898 -5.480 3.218) 9.379======================= Grid point 222 (80/231) =======================q-point: (-0.23 0.23 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.354 ( -2.820 -3.292 1.596) 4.619 1.603 ( -9.115 -0.698 1.372) 9.244 1.909 ( 0.072 -2.357 -0.296) 2.377 2.464 ( -6.353 9.016 -0.983) 11.074 2.607 ( -0.576 0.557 -4.543) 4.613 2.905 ( 5.624 -2.660 -0.824) 6.276 3.001 ( -9.754 0.581 -1.683) 9.915 3.215 ( -5.896 -2.433 4.447) 7.775 3.460 ( 2.848 3.734 -2.393) 5.271 3.553 ( 1.000 4.778 1.323) 5.057 3.686 ( 0.658 -0.003 -0.545) 0.855 4.324 ( 8.760 -5.277 3.292) 10.743======================= Grid point 223 (81/231) =======================q-point: (-0.15 0.23 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.217 ( -9.925 -6.195 3.976) 12.357 1.448 ( -8.617 -0.415 -0.814) 8.666 1.910 ( -0.142 -1.164 0.465) 1.261 2.421 ( -6.102 5.590 2.118) 8.542 2.545 ( -5.532 -1.022 -5.211) 7.668 2.828 ( -8.357 3.310 -4.850) 10.213 3.010 ( 7.459 -1.614 0.621) 7.656 3.126 ( -3.335 -3.068 5.485) 7.115 3.481 ( -1.711 -0.369 -1.088) 2.061 3.622 ( -1.100 7.056 -1.176) 7.237 3.720 ( 4.970 -0.473 -0.082) 4.993 4.439 ( 9.358 -4.136 1.297) 10.313======================= Grid point 224 (82/231) =======================q-point: (-0.08 0.23 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.967 ( -14.163 -4.220 3.104) 15.100 1.266 ( -12.785 -1.792 -2.606) 13.170 1.802 ( -11.509 -1.542 -4.517) 12.460 2.408 ( -5.965 7.278 2.569) 9.755 2.439 ( 0.384 -3.639 5.068) 6.251 2.774 ( -1.977 5.019 -7.710) 9.410 3.040 ( -2.130 -2.972 6.404) 7.374 3.153 ( 6.092 0.934 0.930) 6.233 3.409 ( -5.619 -0.138 -1.761) 5.891 3.624 ( -2.280 1.500 -0.185) 2.735 3.845 ( 9.422 -0.178 -0.043) 9.423 4.548 ( 7.905 -3.260 -2.764) 8.986======================= Grid point 229 (83/231) =======================q-point: ( 0.31 0.31 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.137 ( 0.000 14.087 -0.825) 14.111 1.154 ( -0.000 12.217 2.164) 12.407 1.653 ( 0.000 18.244 -4.638) 18.824 2.119 ( 0.000 0.158 -1.299) 1.308 2.523 ( 0.000 3.574 -2.527) 4.377 2.728 ( -0.000 -6.881 11.534) 13.430 3.090 ( 0.000 -0.934 -3.915) 4.025 3.225 ( -0.000 2.642 3.665) 4.518 3.293 ( 0.000 9.139 -4.781) 10.314 3.492 ( -0.000 -4.786 1.741) 5.093 3.934 ( -0.000 -11.274 0.077) 11.274 4.680 ( 0.000 -1.960 -5.346) 5.694======================= Grid point 230 (84/231) =======================q-point: ( 0.38 0.31 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.212 ( -2.335 8.195 -4.846) 9.803 1.291 ( 2.306 12.507 2.437) 12.949 1.771 ( -0.775 14.637 -6.283) 15.947 2.212 ( 7.931 0.470 -1.978) 8.187 2.629 ( 4.327 4.445 5.236) 8.118 2.656 ( -2.199 -3.013 9.039) 9.779 3.061 ( 0.070 -3.186 -4.567) 5.569 3.253 ( -1.133 2.667 3.625) 4.641 3.373 ( 1.072 5.687 -2.540) 6.320 3.509 ( 6.741 -3.830 1.076) 7.827 3.813 ( -2.468 -8.975 -1.201) 9.385 4.577 ( -7.511 -2.094 -5.445) 9.511======================= Grid point 231 (85/231) =======================q-point: ( 0.46 0.31 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.240 ( 0.248 6.363 -3.129) 7.095 1.481 ( 4.070 13.409 4.070) 14.592 1.890 ( 1.597 10.889 -2.683) 11.328 2.330 ( 9.095 -1.700 -6.318) 11.204 2.548 ( -3.605 -4.435 6.361) 8.551 2.844 ( 3.524 4.053 2.786) 6.050 3.027 ( 3.051 -0.495 1.297) 3.352 3.270 ( -0.454 2.054 3.196) 3.826 3.411 ( -0.214 1.980 -2.690) 3.347 3.606 ( 5.586 -0.951 -0.920) 5.741 3.691 ( -1.678 -6.314 -0.372) 6.544 4.382 ( -10.864 -1.950 -4.833) 12.050======================= Grid point 232 (86/231) =======================q-point: ( 0.54 0.31 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.327 ( 2.123 7.336 0.619) 7.662 1.687 ( 2.956 13.092 4.867) 14.277 1.995 ( 2.728 3.443 1.897) 4.785 2.447 ( 8.814 -3.377 -5.151) 10.753 2.511 ( 0.094 2.829 -0.958) 2.988 2.775 ( -3.973 -6.437 -3.257) 8.236 3.194 ( 6.239 5.512 6.034) 10.282 3.303 ( -0.192 3.656 2.885) 4.662 3.365 ( -3.213 -2.635 -3.021) 5.138 3.598 ( -1.079 -0.182 -2.926) 3.124 3.709 ( 3.079 -0.702 1.509) 3.500 4.182 ( -8.002 -3.024 -2.723) 8.977======================= Grid point 233 (87/231) =======================q-point: ( 0.62 0.31 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.422 ( 0.125 6.329 1.604) 6.530 1.823 ( -1.797 8.931 3.918) 9.917 2.060 ( 2.612 -1.733 3.870) 4.980 2.481 ( -2.894 1.645 -3.429) 4.779 2.529 ( 2.323 -2.824 -4.917) 6.128 2.767 ( 9.518 2.568 -3.515) 10.467 3.202 ( -7.082 -3.208 -0.102) 7.775 3.320 ( 0.399 4.382 2.751) 5.189 3.402 ( 3.823 2.621 1.383) 4.837 3.561 ( -2.514 -2.314 -0.270) 3.427 3.732 ( -2.183 4.442 -0.802) 5.014 4.071 ( 0.537 -5.908 0.303) 5.940======================= Grid point 234 (88/231) =======================q-point: (-0.31 0.31 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.446 ( -2.997 2.706 0.835) 4.123 1.834 ( -5.073 4.501 3.480) 7.623 2.019 ( -4.397 -5.275 -0.276) 6.873 2.466 ( 4.331 0.333 -1.442) 4.577 2.568 ( 0.198 6.111 -4.208) 7.422 2.977 ( 8.597 2.182 -2.710) 9.275 3.049 ( -6.426 0.086 1.234) 6.544 3.367 ( 0.416 2.667 -0.042) 2.700 3.439 ( -4.045 -2.264 1.154) 4.777 3.490 ( 0.393 -1.043 2.513) 2.750 3.734 ( -3.016 6.137 -1.922) 7.103 4.072 ( 5.957 -7.227 1.938) 9.564======================= Grid point 235 (89/231) =======================q-point: (-0.23 0.31 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.395 ( -4.113 -0.461 0.726) 4.202 1.764 ( -9.001 1.075 2.781) 9.482 1.902 ( -2.065 -2.581 -0.018) 3.306 2.569 ( 5.423 0.329 -0.907) 5.508 2.608 ( -1.787 7.793 -3.821) 8.862 2.870 ( -5.802 -3.423 -1.772) 6.966 3.136 ( -1.879 5.223 0.747) 5.601 3.305 ( -6.373 -5.347 3.246) 8.930 3.400 ( 3.247 1.106 -2.418) 4.197 3.538 ( 3.698 0.147 2.028) 4.220 3.735 ( -2.948 5.090 -1.569) 6.088 4.132 ( 8.325 -5.907 1.505) 10.318======================= Grid point 236 (90/231) =======================q-point: (-0.15 0.31 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.310 ( -5.695 -1.722 0.394) 5.962 1.601 ( -10.239 -0.349 0.925) 10.287 1.900 ( 0.887 0.565 2.476) 2.690 2.538 ( -6.500 -2.948 -2.160) 7.456 2.633 ( -2.437 6.074 -2.381) 6.964 2.851 ( 6.116 0.226 -2.145) 6.485 3.053 ( -10.662 2.877 2.185) 11.257 3.176 ( -4.707 -4.224 4.067) 7.519 3.465 ( 2.997 0.298 -2.422) 3.865 3.614 ( 4.645 -0.099 0.839) 4.721 3.714 ( -2.709 0.941 -0.821) 2.983 4.244 ( 9.584 -2.409 -1.048) 9.937======================= Grid point 237 (91/231) =======================q-point: (-0.08 0.31 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.160 ( -10.609 -0.164 -1.485) 10.714 1.434 ( -10.474 -0.289 -2.010) 10.669 1.898 ( -3.838 0.270 -1.304) 4.063 2.405 ( -2.189 -4.419 1.700) 5.216 2.631 ( -5.569 6.878 2.477) 9.190 2.881 ( -6.950 4.147 -2.094) 8.360 3.020 ( 5.023 0.855 3.697) 6.295 3.097 ( -0.898 -2.391 3.131) 4.041 3.470 ( -1.819 0.459 -2.099) 2.815 3.650 ( -1.400 -4.619 1.471) 5.046 3.703 ( 5.536 -0.973 -1.646) 5.857 4.376 ( 8.505 -0.415 -4.928) 9.838======================= Grid point 243 (92/231) =======================q-point: ( 0.38 0.38 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.293 ( 0.000 4.277 -7.041) 8.238 1.326 ( 0.000 6.765 -4.811) 8.302 1.877 ( 0.000 10.272 -6.445) 12.127 2.207 ( -0.000 6.916 7.058) 9.881 2.620 ( -0.000 -7.044 8.486) 11.028 2.710 ( -0.000 10.327 6.637) 12.276 3.018 ( 0.000 -2.509 -6.973) 7.410 3.305 ( -0.000 2.644 3.661) 4.516 3.369 ( -0.000 -8.584 3.298) 9.195 3.430 ( 0.000 6.518 -3.604) 7.448 3.757 ( 0.000 -5.982 -2.788) 6.599 4.599 ( 0.000 -2.903 -5.178) 5.936======================= Grid point 244 (93/231) =======================q-point: ( 0.46 0.38 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.258 ( -0.426 2.028 -6.356) 6.686 1.470 ( 9.172 5.898 -3.937) 11.594 1.948 ( 0.656 5.806 -2.224) 6.252 2.291 ( -1.404 6.769 6.017) 9.165 2.566 ( -1.113 -4.100 5.456) 6.915 2.866 ( 0.457 6.406 2.047) 6.740 2.984 ( 3.034 1.600 -1.492) 3.741 3.269 ( -0.361 -4.924 2.453) 5.513 3.408 ( 4.595 -0.739 2.072) 5.095 3.490 ( 2.672 2.883 -2.101) 4.457 3.683 ( -2.136 -3.260 -3.313) 5.115 4.498 ( -6.629 -2.586 -4.657) 8.504======================= Grid point 245 (94/231) =======================q-point: ( 0.54 0.38 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.315 ( 5.020 3.503 -1.349) 6.268 1.700 ( 11.321 7.070 -0.531) 13.358 1.986 ( 1.121 -0.358 1.670) 2.043 2.327 ( -0.391 2.360 2.415) 3.399 2.570 ( -0.917 5.125 0.786) 5.265 2.784 ( -4.574 -4.470 -4.384) 7.754 3.172 ( 6.236 7.787 6.084) 11.685 3.242 ( 3.138 -5.666 -1.026) 6.557 3.438 ( -2.536 2.176 -0.124) 3.343 3.573 ( 6.688 -1.823 -0.952) 6.997 3.623 ( -0.940 -0.822 -1.026) 1.616 4.321 ( -10.232 -1.562 -3.398) 10.895======================= Grid point 246 (95/231) =======================q-point: ( 0.62 0.38 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.440 ( 4.599 3.618 1.014) 5.939 1.924 ( 4.177 7.080 1.676) 8.389 2.008 ( 2.847 -1.886 4.914) 5.984 2.377 ( 6.431 -0.369 -2.288) 6.836 2.530 ( -5.344 -3.796 -2.774) 7.118 2.743 ( 0.423 8.481 -2.613) 8.885 3.192 ( 0.411 -7.162 0.051) 7.174 3.364 ( 5.329 4.435 1.667) 7.131 3.404 ( -3.314 3.125 0.900) 4.643 3.579 ( -1.949 -0.606 -1.390) 2.469 3.690 ( 7.327 -1.806 0.893) 7.599 4.129 ( -9.932 -1.016 -1.654) 10.120======================= Grid point 247 (96/231) =======================q-point: ( 0.69 0.38 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.505 ( -0.346 1.201 0.904) 1.543 1.964 ( -2.484 2.480 2.677) 4.415 2.028 ( -2.562 -2.527 0.440) 3.625 2.407 ( 0.014 -1.775 -1.836) 2.554 2.545 ( 8.399 2.643 -1.406) 8.916 2.874 ( 5.739 8.576 -1.773) 10.470 3.107 ( -3.008 -5.594 0.093) 6.352 3.399 ( -0.746 2.512 0.380) 2.648 3.456 ( 1.709 0.737 1.341) 2.294 3.506 ( -4.506 -2.742 -0.135) 5.276 3.800 ( 4.971 2.990 -0.371) 5.813 3.978 ( -5.039 -3.573 0.143) 6.179======================= Grid point 248 (97/231) =======================q-point: (-0.23 0.38 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.466 ( -3.953 -0.837 0.512) 4.073 1.898 ( -5.901 -5.206 -0.098) 7.870 1.949 ( -4.370 3.834 2.121) 6.188 2.458 ( 6.128 0.122 -0.453) 6.146 2.654 ( 1.502 2.905 -1.915) 3.790 2.971 ( -7.106 1.320 -1.877) 7.467 3.085 ( 9.842 -0.241 0.857) 9.882 3.362 ( -6.036 -0.958 0.706) 6.152 3.430 ( -2.523 0.384 -0.071) 2.553 3.476 ( 2.797 -1.711 0.925) 3.407 3.838 ( -5.380 2.234 -0.885) 5.892 3.959 ( 7.876 -2.294 0.506) 8.219======================= Grid point 249 (98/231) =======================q-point: (-0.15 0.38 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.390 ( -4.598 -0.160 0.308) 4.611 1.746 ( -7.372 -3.167 0.856) 8.069 1.935 ( -2.488 3.765 3.365) 5.629 2.559 ( 3.136 -0.355 -1.516) 3.501 2.638 ( -0.305 -3.981 -1.292) 4.197 2.867 ( -5.537 4.901 -2.038) 7.670 3.158 ( 0.620 -6.468 2.446) 6.943 3.267 ( -7.468 3.290 -0.210) 8.163 3.412 ( 1.575 1.086 -1.272) 2.298 3.531 ( 4.720 -2.048 1.425) 5.339 3.750 ( -3.330 -3.740 0.005) 5.008 4.098 ( 7.566 3.357 -1.821) 8.475======================= Grid point 250 (99/231) =======================q-point: (-0.08 0.38 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.303 ( -6.778 1.891 -2.839) 7.588 1.597 ( -9.149 -0.509 0.194) 9.165 1.956 ( -1.398 2.962 3.905) 5.097 2.434 ( -6.670 -5.485 -2.047) 8.875 2.688 ( 3.803 -0.027 1.904) 4.253 2.897 ( 3.876 3.862 -1.817) 5.765 3.083 ( -4.023 -2.824 5.087) 7.074 3.155 ( -8.071 2.132 0.108) 8.348 3.457 ( 2.315 0.449 -2.900) 3.737 3.561 ( 2.701 -8.174 2.160) 8.875 3.678 ( -1.517 -0.604 -1.384) 2.141 4.247 ( 7.051 3.650 -4.233) 8.998======================= Grid point 257 (100/231) =======================q-point: ( 0.46 0.46 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.250 ( 0.000 -1.647 -8.243) 8.405 1.382 ( 0.000 3.220 -4.757) 5.744 1.973 ( -0.000 0.575 1.152) 1.287 2.435 ( -0.000 10.007 9.846) 14.039 2.555 ( -0.000 -0.632 3.171) 3.233 2.906 ( 0.000 -4.269 -8.136) 9.188 2.988 ( -0.000 10.949 3.902) 11.623 3.206 ( -0.000 -8.938 5.366) 10.425 3.364 ( -0.000 1.570 1.876) 2.446 3.510 ( 0.000 3.066 -2.749) 4.117 3.665 ( 0.000 -1.631 -3.600) 3.952 4.513 ( 0.000 -2.664 -4.269) 5.032======================= Grid point 258 (101/231) =======================q-point: ( 0.54 0.46 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.245 ( 4.150 0.370 -2.966) 5.114 1.505 ( 11.993 2.038 -3.614) 12.690 1.966 ( 0.312 -3.426 3.186) 4.689 2.468 ( -6.604 6.678 5.901) 11.091 2.627 ( 1.251 5.736 2.083) 6.229 2.801 ( -3.084 -2.984 -5.932) 7.321 3.097 ( 5.500 -5.509 -1.424) 7.914 3.198 ( 1.351 4.654 6.518) 8.122 3.425 ( 4.758 0.370 1.392) 4.971 3.509 ( -0.885 0.206 -2.689) 2.838 3.639 ( -1.084 0.254 -2.072) 2.352 4.430 ( -5.707 -1.494 -3.306) 6.762======================= Grid point 259 (102/231) =======================q-point: ( 0.62 0.46 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.356 ( 7.508 1.111 -0.102) 7.591 1.763 ( 16.216 2.142 -2.255) 16.512 1.957 ( 1.787 -3.381 4.348) 5.790 2.429 ( -6.271 4.722 2.365) 8.198 2.567 ( -5.370 -4.851 -2.876) 7.788 2.831 ( 0.559 10.092 0.186) 10.109 3.082 ( 3.197 -8.651 -0.242) 9.226 3.321 ( 4.980 3.228 1.261) 6.067 3.469 ( -2.131 1.284 -0.388) 2.518 3.532 ( 6.900 -1.495 -0.682) 7.093 3.618 ( -1.467 0.161 0.110) 1.480 4.287 ( -9.373 0.055 -1.987) 9.581======================= Grid point 260 (103/231) =======================q-point: (-0.31 -0.54 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.468 ( 4.889 -0.852 -0.416) 4.980 1.936 ( 4.229 -0.772 -2.601) 5.025 2.018 ( 4.089 -3.676 0.306) 5.507 2.411 ( 4.310 1.624 1.316) 4.790 2.465 ( -4.364 2.093 1.905) 5.201 2.907 ( -0.042 2.477 1.336) 2.815 3.072 ( 1.796 -0.568 -0.291) 1.906 3.400 ( 3.143 -0.792 -1.668) 3.645 3.443 ( -1.393 -0.874 0.828) 1.841 3.561 ( -3.169 0.277 -1.648) 3.582 3.674 ( 8.537 -0.062 1.507) 8.669 4.119 ( -10.572 0.733 -0.853) 10.631======================= Grid point 261 (104/231) =======================q-point: (-0.23 -0.54 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.484 ( -0.107 -2.972 -1.188) 3.202 1.915 ( -3.909 -6.018 -1.993) 7.447 1.999 ( 2.832 -0.608 -2.460) 3.800 2.441 ( -2.397 4.707 1.362) 5.455 2.596 ( 7.890 1.382 3.553) 8.762 2.921 ( 5.645 -6.180 2.901) 8.859 3.101 ( -3.835 6.796 -0.584) 7.825 3.383 ( -0.121 -4.574 -1.201) 4.731 3.434 ( 1.752 -1.745 -0.694) 2.568 3.498 ( -4.809 2.049 -1.016) 5.325 3.815 ( 6.221 -2.372 1.177) 6.761 3.971 ( -6.842 3.639 -0.551) 7.769======================= Grid point 262 (105/231) =======================q-point: (-0.15 0.46 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.435 ( -1.495 -2.082 -0.190) 2.570 1.789 ( -3.644 -5.078 -0.885) 6.312 2.026 ( -0.551 2.187 0.184) 2.263 2.482 ( 2.639 2.839 0.286) 3.887 2.623 ( -1.878 -5.294 1.120) 5.728 3.015 ( 6.871 -6.157 1.052) 9.286 3.028 ( -7.314 4.205 -0.772) 8.472 3.381 ( 2.545 -0.452 0.814) 2.710 3.413 ( -4.101 -0.924 -1.014) 4.324 3.457 ( 0.056 0.382 -0.662) 0.767 3.758 ( -3.101 -5.680 0.465) 6.488 4.045 ( 4.626 7.204 -0.538) 8.578======================= Grid point 263 (106/231) =======================q-point: (-0.08 0.46 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.398 ( -2.954 1.347 -1.209) 3.464 1.693 ( -3.855 -2.666 0.550) 4.719 2.035 ( -1.752 3.704 3.120) 5.150 2.484 ( -6.480 -6.691 -2.286) 9.591 2.575 ( 6.273 -0.601 0.439) 6.317 2.907 ( -2.936 -2.674 1.058) 4.110 3.089 ( 1.455 0.933 -0.498) 1.799 3.307 ( -7.277 0.630 -0.875) 7.356 3.419 ( 1.880 -2.001 1.338) 3.054 3.450 ( 1.562 -5.380 -0.202) 5.606 3.700 ( -0.857 0.513 -0.279) 1.037 4.184 ( 4.781 5.541 -1.607) 7.493======================= Grid point 271 (107/231) =======================q-point: ( 0.54 0.54 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.197 ( 0.000 0.487 -1.078) 1.183 1.413 ( 0.000 2.117 -0.381) 2.151 1.934 ( -0.000 -4.029 3.155) 5.117 2.635 ( 0.000 5.731 -0.513) 5.754 2.656 ( -0.000 3.751 3.320) 5.009 2.771 ( 0.000 -1.774 -3.219) 3.675 2.981 ( 0.000 -6.562 -0.202) 6.565 3.249 ( -0.000 3.008 3.345) 4.498 3.386 ( 0.000 0.150 -0.087) 0.173 3.512 ( 0.000 0.267 -1.604) 1.626 3.649 ( 0.000 0.912 -0.879) 1.266 4.459 ( 0.000 -0.312 -2.615) 2.633======================= Grid point 272 (108/231) =======================q-point: (-0.38 -0.46 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.256 ( 4.756 1.644 1.527) 5.258 1.539 ( 11.655 2.120 1.858) 11.991 1.919 ( 0.778 -1.985 2.563) 3.334 2.542 ( -6.580 -6.750 -5.720) 11.027 2.633 ( -3.880 3.927 0.375) 5.534 2.869 ( 3.836 1.989 4.384) 6.156 2.967 ( 2.990 0.450 -0.758) 3.118 3.264 ( 2.198 -3.136 -1.150) 3.998 3.422 ( 4.477 -0.871 -1.025) 4.674 3.511 ( -1.256 1.879 0.597) 2.337 3.648 ( -1.178 0.906 0.480) 1.562 4.412 ( -5.347 1.380 -1.606) 5.751======================= Grid point 273 (109/231) =======================q-point: (-0.31 -0.46 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.359 ( 5.818 -0.566 0.443) 5.862 1.774 ( 11.995 -0.664 -1.655) 12.127 1.940 ( 1.853 -0.790 2.350) 3.095 2.377 ( -1.777 -4.692 -1.673) 5.289 2.602 ( -4.598 4.152 0.643) 6.229 2.870 ( 0.415 -7.210 3.448) 8.003 3.079 ( 2.630 7.945 -0.829) 8.410 3.287 ( 6.012 -4.698 -1.082) 7.706 3.463 ( -0.442 -2.203 -1.548) 2.729 3.540 ( 4.505 2.379 -0.130) 5.097 3.629 ( -1.848 0.651 1.416) 2.417 4.301 ( -9.566 2.168 -0.675) 9.832======================= Grid point 274 (110/231) =======================q-point: (-0.23 -0.46 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.415 ( 3.070 -3.686 -1.358) 4.986 1.845 ( 3.771 -9.551 -5.216) 11.517 1.932 ( 0.124 0.586 -2.952) 3.012 2.475 ( 9.861 2.997 6.771) 12.332 2.570 ( -3.860 3.841 1.388) 5.620 2.810 ( 0.253 -7.217 3.888) 8.202 3.173 ( 2.957 3.523 -2.137) 5.072 3.349 ( 4.759 -2.812 0.364) 5.539 3.374 ( -5.195 -3.406 -1.855) 6.484 3.578 ( -2.545 2.279 -1.550) 3.752 3.699 ( 7.282 0.808 1.722) 7.527 4.147 ( -10.600 2.599 0.094) 10.914======================= Grid point 275 (111/231) =======================q-point: (-0.15 -0.46 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.396 ( 1.453 -4.970 -0.929) 5.261 1.762 ( 0.002 -7.978 -2.289) 8.299 1.973 ( 4.218 0.485 -4.476) 6.169 2.540 ( -1.777 0.258 2.473) 3.056 2.615 ( -1.571 0.203 3.440) 3.788 2.840 ( 8.344 -1.966 3.492) 9.256 3.181 ( -7.181 -0.698 -2.297) 7.571 3.274 ( 4.588 -5.092 -1.571) 7.032 3.399 ( 1.802 0.230 1.215) 2.185 3.547 ( -4.220 3.167 -1.629) 5.522 3.747 ( -1.177 -4.658 0.614) 4.843 4.082 ( -1.093 7.086 1.367) 7.299======================= Grid point 285 (112/231) =======================q-point: (-0.38 -0.38 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.270 ( -0.000 4.863 5.832) 7.594 1.458 ( -0.000 1.072 4.099) 4.237 1.913 ( -0.000 0.682 1.234) 1.410 2.501 ( 0.000 -9.328 -9.478) 13.298 2.642 ( 0.000 -5.548 -0.093) 5.549 2.908 ( -0.000 6.206 7.874) 10.026 2.967 ( 0.000 6.885 -1.761) 7.107 3.177 ( 0.000 -9.324 -3.026) 9.802 3.368 ( 0.000 -1.385 -2.033) 2.460 3.543 ( -0.000 1.578 0.935) 1.834 3.674 ( -0.000 1.362 1.735) 2.206 4.475 ( 0.000 3.113 -1.007) 3.272======================= Grid point 286 (113/231) =======================q-point: (-0.31 -0.38 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.321 ( 0.000 2.369 4.667) 5.234 1.583 ( 9.797 -0.755 3.327) 10.374 1.936 ( 0.399 2.121 0.559) 2.230 2.349 ( -2.362 -7.293 -5.552) 9.465 2.606 ( 1.897 -6.122 -0.534) 6.431 2.906 ( -5.346 3.627 4.294) 7.757 3.071 ( 1.862 -4.540 -5.580) 7.430 3.145 ( 7.135 2.192 3.423) 8.212 3.381 ( 4.247 -1.715 -3.151) 5.560 3.546 ( -0.723 0.181 0.783) 1.081 3.678 ( -1.848 1.431 1.908) 3.018 4.459 ( -5.834 3.910 -0.492) 7.040======================= Grid point 287 (114/231) =======================q-point: (-0.23 -0.38 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.347 ( 0.928 -1.773 1.755) 2.662 1.660 ( 4.916 -9.734 -3.791) 11.545 1.941 ( -1.085 0.884 -2.853) 3.178 2.370 ( 8.496 2.025 6.033) 10.615 2.570 ( 0.882 -6.234 0.503) 6.316 2.857 ( -5.087 2.488 3.380) 6.595 3.051 ( 5.935 -7.241 -5.586) 10.903 3.267 ( 3.051 -0.537 -0.016) 3.098 3.428 ( 0.025 1.530 -0.014) 1.530 3.574 ( 5.024 1.482 -0.569) 5.269 3.660 ( -1.934 1.306 2.040) 3.100 4.356 ( -10.423 3.699 0.106) 11.060======================= Grid point 288 (115/231) =======================q-point: (-0.15 -0.38 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.315 ( 0.651 -6.410 -0.618) 6.473 1.616 ( 4.583 -10.499 -2.299) 11.684 1.931 ( 0.663 0.734 -3.852) 3.977 2.512 ( -0.306 -6.474 2.936) 7.115 2.597 ( 9.554 2.224 4.955) 10.990 2.828 ( -2.993 5.217 2.619) 6.560 3.085 ( 7.758 -6.725 -4.587) 11.245 3.222 ( -2.497 -6.083 -5.134) 8.343 3.435 ( -1.497 3.250 3.690) 5.139 3.622 ( -2.256 3.136 -0.487) 3.893 3.705 ( 3.133 -1.432 0.986) 3.583 4.229 ( -8.213 5.512 1.962) 10.084======================= Grid point 299 (116/231) =======================q-point: (-0.31 -0.31 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.393 ( -0.000 2.123 5.221) 5.636 1.482 ( -0.000 -2.730 5.048) 5.739 1.961 ( -0.000 2.847 0.709) 2.934 2.264 ( 0.000 -8.449 -7.373) 11.214 2.531 ( -0.000 -3.833 0.312) 3.846 2.918 ( 0.000 -14.658 -2.595) 14.886 3.049 ( -0.000 3.631 6.776) 7.688 3.138 ( 0.000 10.829 -1.709) 10.963 3.309 ( 0.000 -2.695 -3.804) 4.662 3.544 ( -0.000 -2.088 0.736) 2.214 3.718 ( -0.000 2.077 1.765) 2.725 4.551 ( 0.000 4.863 -0.513) 4.890======================= Grid point 300 (117/231) =======================q-point: (-0.23 -0.31 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.364 ( -2.926 -2.200 3.202) 4.864 1.488 ( 3.018 -9.966 -1.488) 10.519 1.961 ( -1.948 -0.707 -0.978) 2.291 2.251 ( 7.836 -1.354 1.376) 8.070 2.517 ( 0.238 -1.671 0.862) 1.895 2.806 ( 3.995 -13.123 -1.530) 13.803 3.035 ( -5.214 4.879 2.353) 7.519 3.228 ( 0.399 -0.433 -2.849) 2.909 3.376 ( 8.298 4.781 -0.092) 9.578 3.522 ( 0.872 -2.930 0.861) 3.176 3.727 ( -2.246 2.875 1.141) 3.823 4.541 ( -6.487 4.652 -0.437) 7.995======================= Grid point 301 (118/231) =======================q-point: (-0.15 -0.31 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.251 ( -2.524 -10.425 -2.836) 11.095 1.439 ( 4.157 -9.332 0.567) 10.231 1.914 ( -0.379 -3.284 -0.096) 3.307 2.435 ( 9.512 -0.200 0.124) 9.515 2.498 ( 0.708 -1.759 3.789) 4.237 2.800 ( 7.315 -7.824 0.647) 10.730 3.015 ( -3.425 5.568 -0.472) 6.554 3.182 ( -1.157 -4.199 -5.843) 7.288 3.464 ( 0.462 -1.427 2.401) 2.831 3.613 ( 7.340 2.234 0.580) 7.694 3.715 ( -3.454 4.290 1.054) 5.608 4.440 ( -9.840 4.723 0.993) 10.960======================= Grid point 313 (119/231) =======================q-point: (-0.23 -0.23 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.349 ( 0.000 -8.227 -1.510) 8.364 1.364 ( 0.000 -11.505 -1.358) 11.585 1.968 ( -0.000 -5.663 1.168) 5.782 2.145 ( -0.000 -1.051 1.109) 1.528 2.527 ( -0.000 2.065 0.155) 2.071 2.656 ( -0.000 -9.125 1.615) 9.267 3.126 ( -0.000 0.164 2.989) 2.993 3.230 ( 0.000 -2.141 -2.851) 3.566 3.333 ( 0.000 9.583 -0.406) 9.592 3.478 ( -0.000 -5.206 1.320) 5.371 3.785 ( -0.000 4.777 0.107) 4.779 4.640 ( 0.000 4.755 -1.171) 4.897======================= Grid point 314 (120/231) =======================q-point: (-0.15 -0.23 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.160 ( -4.174 -15.895 -7.283) 17.975 1.297 ( 3.517 -10.468 0.392) 11.050 1.865 ( -0.298 -11.293 2.499) 11.570 2.253 ( 9.608 -0.207 1.777) 9.773 2.513 ( -2.429 -0.058 -3.603) 4.346 2.663 ( 4.033 -0.901 7.472) 8.538 3.102 ( -1.295 -1.561 -2.402) 3.144 3.173 ( -3.551 1.372 -1.651) 4.150 3.423 ( 1.125 -4.895 1.983) 5.400 3.513 ( 7.613 3.647 1.316) 8.544 3.822 ( -2.242 7.414 -0.298) 7.751 4.623 ( -6.352 4.330 -0.850) 7.734======================= Grid point 327 (121/231) =======================q-point: (-0.15 -0.15 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.056 ( 0.000 -16.711 -7.074) 18.147 1.094 ( 0.000 -15.018 -5.660) 16.049 1.694 ( -0.000 -22.150 0.497) 22.155 2.216 ( -0.000 4.266 7.939) 9.013 2.530 ( 0.000 2.401 -7.640) 8.009 2.678 ( -0.000 2.484 11.661) 11.922 3.054 ( 0.000 -4.665 -6.626) 8.104 3.238 ( -0.000 0.944 3.924) 4.036 3.360 ( -0.000 -7.014 1.868) 7.258 3.485 ( -0.000 4.773 1.024) 4.882 3.923 ( 0.000 10.029 -0.960) 10.074 4.712 ( 0.000 3.950 -2.331) 4.587======================= Grid point 370 (122/231) =======================q-point: ( 0.15 0.15 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 231Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.357 ( -0.000 0.000 17.953) 17.953 0.357 ( -0.000 0.000 17.953) 17.953 0.526 ( -0.000 0.000 26.666) 26.666 2.431 ( 0.000 -0.000 -11.699) 11.699 2.431 ( 0.000 -0.000 -11.699) 11.699 2.845 ( -0.000 0.000 9.284) 9.284 2.845 ( -0.000 0.000 9.284) 9.284 3.054 ( 0.000 -0.000 -9.591) 9.591 3.286 ( 0.000 -0.000 -1.164) 1.164 3.286 ( 0.000 -0.000 -1.164) 1.164 4.322 ( -0.000 0.000 5.139) 5.139 4.743 ( 0.000 -0.000 -1.540) 1.540======================= Grid point 371 (123/231) =======================q-point: ( 0.23 0.15 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.399 ( 4.688 2.706 12.527) 13.647 0.453 ( 4.064 2.346 15.745) 16.429 0.918 ( 19.224 11.099 13.494) 25.978 2.312 ( -1.750 -1.010 -9.463) 9.676 2.510 ( 5.339 3.083 -11.777) 13.293 2.761 ( -5.256 -3.035 9.216) 11.035 2.977 ( 2.811 1.623 1.653) 3.643 3.050 ( 5.227 3.018 -2.866) 6.682 3.319 ( 1.405 0.811 0.152) 1.629 3.515 ( 9.552 5.515 -6.910) 13.016 4.321 ( -3.294 -1.902 2.856) 4.756 4.671 ( -5.393 -3.113 -4.795) 7.859======================= Grid point 372 (124/231) =======================q-point: ( 0.31 0.15 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.604 ( 10.566 6.100 4.831) 13.122 0.639 ( 8.594 4.962 5.802) 11.495 1.315 ( 14.117 8.150 -0.604) 16.312 2.339 ( 6.230 3.597 0.198) 7.196 2.586 ( 3.905 2.254 -8.776) 9.867 2.682 ( -3.423 -1.977 6.513) 7.619 3.008 ( 1.887 1.089 -4.390) 4.901 3.205 ( 6.422 3.708 3.875) 8.366 3.345 ( 0.775 0.448 0.986) 1.331 3.619 ( 1.827 1.055 0.257) 2.126 4.177 ( -10.419 -6.015 3.337) 12.485 4.518 ( -5.515 -3.184 -9.949) 11.813======================= Grid point 373 (125/231) =======================q-point: ( 0.38 0.15 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.841 ( 8.909 5.143 -1.797) 10.443 0.872 ( 12.571 7.258 0.207) 14.517 1.555 ( 10.035 5.794 -6.903) 13.488 2.569 ( -4.013 -2.317 7.478) 8.798 2.570 ( 11.942 6.895 8.330) 16.110 2.713 ( 5.304 3.062 -8.918) 10.819 3.035 ( 0.982 0.567 -0.501) 1.240 3.328 ( 4.011 2.316 0.453) 4.653 3.358 ( 0.009 0.005 1.477) 1.477 3.607 ( -3.792 -2.189 3.330) 5.500 3.910 ( -13.289 -7.672 0.680) 15.360 4.389 ( -2.923 -1.688 -9.974) 10.530======================= Grid point 374 (126/231) =======================q-point: ( 0.46 0.15 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.023 ( 8.796 5.078 -5.447) 11.526 1.143 ( 12.102 6.987 -2.690) 14.230 1.759 ( 10.240 5.912 -3.376) 12.296 2.503 ( -4.257 -2.458 9.507) 10.702 2.812 ( 6.163 3.558 -9.699) 12.030 2.827 ( 6.430 3.713 6.297) 9.736 3.046 ( -0.219 -0.127 5.460) 5.466 3.355 ( -0.723 -0.417 1.957) 2.128 3.359 ( -3.268 -1.886 -3.781) 5.341 3.488 ( -4.707 -2.717 3.949) 6.718 3.668 ( -6.501 -3.753 -4.229) 8.616 4.328 ( -0.766 -0.442 -5.247) 5.321======================= Grid point 375 (127/231) =======================q-point: ( 0.54 0.15 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.195 ( 8.402 4.851 -6.145) 11.484 1.375 ( 9.736 5.621 -4.616) 12.153 1.974 ( 9.022 5.209 -0.284) 10.421 2.438 ( -4.535 -2.618 9.752) 11.069 2.800 ( -7.971 -4.602 0.107) 9.205 2.919 ( 6.124 3.536 -8.717) 11.224 3.010 ( -6.001 -3.465 3.329) 7.687 3.294 ( 0.924 0.534 5.067) 5.179 3.339 ( -1.426 -0.823 2.681) 3.146 3.434 ( -1.963 -1.134 -2.051) 3.057 3.632 ( 3.459 1.997 -4.103) 5.726 4.308 ( -0.256 -0.148 -0.856) 0.905======================= Grid point 376 (128/231) =======================q-point: ( 0.62 0.15 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.341 ( 6.136 3.543 -5.735) 9.115 1.535 ( 6.042 3.488 -5.400) 8.823 2.097 ( 1.308 0.755 -3.457) 3.772 2.359 ( -5.315 -3.069 8.670) 10.622 2.640 ( -3.588 -2.071 0.423) 4.164 2.886 ( -4.944 -2.854 3.458) 6.674 3.023 ( 5.472 3.159 -7.314) 9.666 3.287 ( -2.793 -1.613 0.110) 3.227 3.310 ( -2.121 -1.225 3.660) 4.404 3.449 ( 2.571 1.484 1.879) 3.513 3.707 ( 3.046 1.759 -2.976) 4.608 4.318 ( 1.213 0.700 2.354) 2.739======================= Grid point 377 (129/231) =======================q-point: (-0.31 0.15 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.418 ( 1.990 1.149 -2.751) 3.584 1.599 ( 0.896 0.517 -4.015) 4.146 2.045 ( -2.419 -1.396 -6.370) 6.955 2.263 ( -5.138 -2.967 5.491) 8.084 2.607 ( -2.078 -1.200 1.635) 2.904 2.885 ( 4.533 2.617 2.564) 5.829 3.109 ( 4.024 2.323 -5.907) 7.516 3.189 ( -5.773 -3.333 -3.076) 7.342 3.270 ( -2.631 -1.519 4.535) 5.459 3.510 ( 1.924 1.111 2.887) 3.642 3.730 ( 0.107 0.062 -1.619) 1.624 4.384 ( 3.672 2.120 4.394) 6.107======================= Grid point 378 (130/231) =======================q-point: (-0.23 0.15 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.416 ( -2.237 -1.291 2.553) 3.632 1.537 ( -6.203 -3.581 0.208) 7.165 1.993 ( -1.145 -0.661 -1.367) 1.902 2.188 ( -2.075 -1.198 -0.132) 2.399 2.573 ( 0.158 0.091 -4.805) 4.808 2.910 ( -8.688 -5.016 -1.505) 10.145 3.138 ( 7.203 4.159 -1.644) 8.479 3.152 ( 0.657 0.379 -2.353) 2.473 3.231 ( -1.415 -0.817 2.666) 3.126 3.537 ( -0.621 -0.358 1.513) 1.674 3.730 ( 0.649 0.374 0.562) 0.936 4.494 ( 4.675 2.699 5.103) 7.429======================= Grid point 379 (131/231) =======================q-point: (-0.15 0.15 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.316 ( -8.278 -4.779 5.419) 10.988 1.336 ( -12.102 -6.987 4.350) 14.636 1.955 ( -4.742 -2.738 3.495) 6.496 2.176 ( 1.600 0.924 -5.112) 5.436 2.553 ( -2.495 -1.441 -4.933) 5.713 2.695 ( -4.209 -2.430 -6.536) 8.145 3.119 ( -3.277 -1.892 4.311) 5.736 3.231 ( 0.841 0.486 -2.808) 2.971 3.336 ( 8.772 5.064 -0.989) 10.177 3.485 ( -4.045 -2.335 -0.018) 4.670 3.779 ( 3.888 2.245 1.160) 4.637 4.612 ( 4.471 2.581 4.510) 6.856======================= Grid point 384 (132/231) =======================q-point: ( 0.23 0.23 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.478 ( -0.000 12.517 9.158) 15.509 0.643 ( -0.000 11.354 13.466) 17.614 0.894 ( -0.000 16.420 17.211) 23.787 2.255 ( 0.000 -4.986 -10.046) 11.215 2.464 ( 0.000 4.501 -11.505) 12.355 2.828 ( -0.000 -2.376 8.668) 8.988 2.999 ( -0.000 4.548 7.773) 9.006 3.009 ( 0.000 3.997 -9.094) 9.934 3.232 ( 0.000 -2.169 -2.935) 3.649 3.502 ( 0.000 8.294 -3.890) 9.161 4.326 ( -0.000 -5.046 3.681) 6.246 4.715 ( 0.000 -0.045 -5.195) 5.195======================= Grid point 385 (133/231) =======================q-point: ( 0.31 0.23 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.665 ( 2.537 16.285 3.126) 16.775 0.721 ( -5.079 13.115 13.527) 19.513 1.210 ( 10.154 13.019 3.380) 16.853 2.238 ( 6.344 -1.369 -4.077) 7.664 2.499 ( 3.951 2.500 -10.412) 11.413 2.775 ( -5.886 -1.698 9.187) 11.042 3.011 ( -0.410 6.043 -6.367) 8.788 3.138 ( 6.324 2.551 3.245) 7.552 3.275 ( 5.755 -2.407 -0.070) 6.239 3.574 ( 3.404 1.710 -1.382) 4.052 4.235 ( -4.126 -9.236 3.312) 10.644 4.615 ( -8.719 0.546 -7.364) 11.426======================= Grid point 386 (134/231) =======================q-point: ( 0.38 0.23 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.832 ( 0.033 11.088 7.780) 13.545 0.881 ( 3.600 16.965 -0.199) 17.344 1.448 ( 8.073 9.011 -6.961) 13.958 2.416 ( 13.198 1.366 1.259) 13.328 2.581 ( 6.011 3.836 -4.785) 8.587 2.687 ( -5.185 -2.440 8.649) 10.376 3.055 ( 0.017 6.522 -4.358) 7.844 3.234 ( 5.075 -3.634 -1.594) 6.442 3.344 ( 2.820 0.241 4.219) 5.080 3.626 ( 1.702 -0.496 0.824) 1.955 4.041 ( -9.225 -9.570 2.774) 13.578 4.436 ( -8.667 0.085 -9.183) 12.627======================= Grid point 387 (135/231) =======================q-point: ( 0.46 0.23 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.966 ( 2.919 9.051 1.001) 9.563 1.112 ( 5.634 15.592 -1.286) 16.628 1.652 ( 9.157 8.727 -4.893) 13.563 2.567 ( 0.779 -1.876 2.072) 2.902 2.630 ( 5.488 -3.855 -0.799) 6.754 2.790 ( 8.942 7.317 5.471) 12.784 3.098 ( -1.091 5.420 0.316) 5.538 3.230 ( 2.475 -8.619 -1.955) 9.178 3.397 ( 1.599 1.247 1.437) 2.485 3.607 ( -3.887 0.504 0.022) 3.920 3.785 ( -12.753 -5.173 0.360) 13.767 4.310 ( -2.205 -1.882 -6.031) 6.691======================= Grid point 388 (136/231) =======================q-point: ( 0.54 0.23 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.111 ( 5.111 7.474 -1.957) 9.264 1.342 ( 5.323 13.939 -2.425) 15.117 1.881 ( 9.294 7.882 -0.893) 12.219 2.510 ( -4.103 -3.387 9.004) 10.458 2.720 ( 8.115 -4.192 -7.145) 11.596 2.903 ( -1.484 -1.548 -2.627) 3.392 3.103 ( -4.809 2.104 2.497) 5.813 3.217 ( 5.223 -1.841 4.922) 7.409 3.415 ( -0.595 0.087 -1.574) 1.685 3.537 ( -9.931 4.117 2.079) 10.950 3.596 ( -0.831 -0.501 -4.680) 4.780 4.275 ( 1.520 -3.282 -1.087) 3.776======================= Grid point 389 (137/231) =======================q-point: ( 0.62 0.23 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.253 ( 5.369 5.329 -3.744) 8.440 1.525 ( 2.858 11.372 -3.371) 12.200 2.065 ( 4.477 3.964 -0.855) 6.040 2.434 ( -4.175 -3.822 7.730) 9.580 2.659 ( -3.816 -6.451 -3.545) 8.291 2.904 ( 5.338 -0.124 -4.901) 7.248 3.028 ( -6.889 2.946 1.822) 7.711 3.282 ( 0.425 -1.068 2.204) 2.486 3.418 ( -0.428 0.770 0.227) 0.910 3.432 ( -4.495 3.991 2.190) 6.397 3.647 ( 4.211 1.570 -3.112) 5.466 4.279 ( 2.734 -3.323 1.945) 4.722======================= Grid point 390 (138/231) =======================q-point: (-0.31 0.23 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.355 ( 3.931 2.162 -4.557) 6.395 1.623 ( -0.717 7.037 -2.671) 7.561 2.057 ( -3.662 -1.727 -4.845) 6.314 2.354 ( -4.572 -1.268 4.423) 6.487 2.616 ( 2.008 -1.339 1.455) 2.818 2.891 ( -4.288 0.940 3.448) 5.582 3.049 ( 4.606 2.975 -5.894) 8.050 3.252 ( -3.480 0.503 -1.131) 3.694 3.357 ( -5.665 2.393 3.232) 6.947 3.488 ( 2.783 0.702 2.472) 3.788 3.698 ( 2.254 -0.704 -2.485) 3.428 4.322 ( 4.914 -2.404 3.646) 6.574======================= Grid point 391 (139/231) =======================q-point: (-0.23 0.23 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.397 ( 1.984 -1.107 -2.319) 3.246 1.612 ( -5.185 1.403 -0.157) 5.374 1.969 ( -1.294 -3.237 -2.111) 4.075 2.297 ( -5.165 4.805 -0.291) 7.060 2.598 ( -3.426 -0.289 -0.153) 3.442 2.926 ( 5.693 -0.051 1.941) 6.015 3.045 ( -5.340 -4.484 -3.209) 7.676 3.214 ( -1.974 5.006 -2.484) 5.926 3.316 ( -3.276 4.858 2.580) 6.402 3.535 ( 1.276 -0.064 1.868) 2.262 3.707 ( 1.415 -1.414 -0.962) 2.220 4.413 ( 6.874 -2.166 4.026) 8.256======================= Grid point 392 (140/231) =======================q-point: (-0.15 0.23 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.367 ( -3.357 -5.672 2.742) 7.139 1.476 ( -9.246 -3.004 0.808) 9.755 1.950 ( 1.214 -2.571 1.107) 3.051 2.266 ( -5.802 8.189 -1.294) 10.119 2.546 ( -1.247 -0.147 -5.299) 5.446 2.808 ( -12.517 -2.873 -1.876) 12.979 3.055 ( 8.298 -3.315 -1.909) 9.138 3.192 ( -2.711 -1.610 4.727) 5.682 3.386 ( 0.601 11.451 -2.109) 11.659 3.525 ( -2.415 -0.631 0.176) 2.502 3.732 ( 3.204 -0.466 0.158) 3.242 4.523 ( 7.530 -2.603 3.177) 8.578======================= Grid point 398 (141/231) =======================q-point: ( 0.31 0.31 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.823 ( -0.000 17.634 2.198) 17.770 0.933 ( -0.000 11.785 6.606) 13.510 1.295 ( -0.000 17.512 4.293) 18.030 2.131 ( 0.000 -2.258 -5.101) 5.578 2.460 ( 0.000 2.334 -6.985) 7.365 2.849 ( -0.000 -1.958 9.163) 9.370 3.092 ( -0.000 0.495 0.867) 0.999 3.093 ( 0.000 9.082 -6.132) 10.958 3.195 ( -0.000 0.920 0.692) 1.152 3.552 ( -0.000 -0.575 0.744) 0.940 4.174 ( -0.000 -12.121 2.527) 12.382 4.676 ( 0.000 -0.012 -7.570) 7.570======================= Grid point 399 (142/231) =======================q-point: ( 0.38 0.31 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.978 ( -0.796 14.444 -0.968) 14.499 1.053 ( -1.006 13.580 6.254) 14.985 1.456 ( 0.984 14.421 -5.738) 15.552 2.207 ( 10.247 -0.432 -2.529) 10.563 2.516 ( 5.074 4.882 -0.241) 7.045 2.795 ( -5.982 -3.415 10.041) 12.177 3.103 ( 2.089 -0.906 -2.179) 3.152 3.139 ( -0.279 6.700 -6.891) 9.615 3.299 ( 5.290 1.987 4.477) 7.209 3.569 ( 3.251 -1.835 1.288) 3.949 4.032 ( -2.948 -12.822 1.541) 13.246 4.574 ( -8.445 0.050 -8.077) 11.685======================= Grid point 400 (143/231) =======================q-point: ( 0.46 0.31 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.068 ( -1.130 10.376 -1.592) 10.558 1.217 ( 1.680 15.761 4.724) 16.539 1.617 ( 4.939 13.651 -5.990) 15.704 2.354 ( 10.939 -2.920 -8.131) 13.940 2.681 ( -5.866 -4.631 9.405) 12.013 2.727 ( 9.225 7.940 7.205) 14.144 3.102 ( 2.497 -5.809 -2.792) 6.912 3.181 ( -1.101 7.469 -3.194) 8.197 3.379 ( 2.059 0.378 2.725) 3.436 3.615 ( 2.152 -0.731 -0.643) 2.362 3.863 ( -4.085 -10.317 2.046) 11.284 4.384 ( -10.085 -0.267 -7.365) 12.491======================= Grid point 401 (144/231) =======================q-point: ( 0.54 0.31 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.159 ( 0.845 9.911 0.291) 9.951 1.423 ( 2.845 15.934 2.933) 16.449 1.827 ( 6.996 11.374 -2.375) 13.563 2.481 ( 11.569 -2.970 -9.175) 15.062 2.573 ( -4.462 -5.384 7.924) 10.568 2.881 ( -0.009 -3.279 -0.579) 3.330 3.123 ( 6.094 1.391 3.250) 7.046 3.219 ( -1.901 5.980 1.739) 6.511 3.402 ( 0.382 -1.321 -0.610) 1.505 3.591 ( -1.894 -0.634 -4.105) 4.565 3.732 ( -6.127 -1.456 2.232) 6.681 4.233 ( -3.374 -3.114 -3.169) 5.578======================= Grid point 402 (145/231) =======================q-point: ( 0.62 0.31 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.273 ( 1.051 9.099 0.732) 9.188 1.612 ( 1.257 14.030 1.166) 14.134 2.025 ( 5.908 6.477 0.142) 8.768 2.479 ( -3.727 -4.158 4.957) 7.467 2.596 ( 5.210 -3.966 -6.872) 9.493 2.781 ( 1.971 -4.696 -4.925) 7.085 3.195 ( -6.713 4.436 2.475) 8.418 3.271 ( 2.298 1.423 3.611) 4.511 3.383 ( 2.243 -0.763 -0.243) 2.381 3.574 ( -0.935 0.446 -2.472) 2.680 3.639 ( -5.659 4.935 -0.152) 7.510 4.188 ( 2.709 -5.695 1.063) 6.395======================= Grid point 403 (146/231) =======================q-point: ( 0.69 0.31 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.356 ( -0.244 6.302 -0.677) 6.343 1.723 ( -1.973 9.231 0.804) 9.474 2.090 ( -2.307 -0.791 -1.806) 3.035 2.410 ( -2.301 -0.242 0.442) 2.356 2.551 ( 1.706 -3.033 -1.590) 3.826 2.907 ( 10.172 3.056 -2.966) 11.027 3.068 ( -9.443 -0.305 0.558) 9.465 3.304 ( -0.847 2.839 0.838) 3.079 3.451 ( 3.206 1.179 1.753) 3.839 3.500 ( -6.717 1.716 1.433) 7.080 3.654 ( 1.123 1.554 -2.233) 2.943 4.206 ( 5.310 -5.873 2.747) 8.381======================= Grid point 404 (147/231) =======================q-point: (-0.23 0.31 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.379 ( -1.094 2.242 -1.604) 2.966 1.731 ( -5.175 3.985 2.421) 6.965 1.980 ( -4.634 -4.173 -1.235) 6.358 2.403 ( -2.022 6.809 -4.227) 8.265 2.598 ( 3.894 -1.355 0.894) 4.219 2.918 ( -6.124 -1.207 -0.482) 6.261 3.063 ( 2.933 2.568 -0.185) 3.903 3.300 ( -3.441 4.257 -1.965) 5.816 3.417 ( -3.661 -0.112 2.723) 4.564 3.516 ( 1.904 1.990 2.264) 3.566 3.667 ( 0.772 -0.023 -2.131) 2.267 4.264 ( 7.326 -5.926 2.893) 9.857======================= Grid point 405 (148/231) =======================q-point: (-0.15 0.31 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.359 ( -1.485 -1.891 -0.549) 2.467 1.625 ( -10.236 -1.244 3.175) 10.789 1.917 ( 0.660 -1.647 1.855) 2.567 2.430 ( -3.424 10.521 -5.726) 12.458 2.578 ( -4.346 -1.565 -1.494) 4.855 2.887 ( 4.832 -3.459 -2.834) 6.584 3.008 ( -9.745 1.425 2.988) 10.292 3.252 ( -4.363 -0.783 2.961) 5.331 3.438 ( 2.567 3.475 -2.011) 4.766 3.566 ( -0.155 4.268 1.163) 4.426 3.677 ( 1.535 -0.427 -1.407) 2.125 4.348 ( 8.840 -6.291 1.742) 10.989======================= Grid point 412 (149/231) =======================q-point: ( 0.38 0.38 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.120 ( 0.000 11.994 -2.676) 12.289 1.155 ( 0.000 9.446 -1.845) 9.624 1.593 ( 0.000 15.125 -7.617) 16.935 2.129 ( -0.000 3.089 3.314) 4.531 2.528 ( -0.000 7.116 3.487) 7.925 2.837 ( -0.000 -6.629 10.982) 12.828 3.041 ( 0.000 -2.266 -5.909) 6.329 3.245 ( 0.000 9.868 -4.983) 11.055 3.265 ( -0.000 2.871 4.250) 5.128 3.514 ( -0.000 -4.476 2.928) 5.349 3.932 ( 0.000 -12.707 -0.574) 12.720 4.616 ( 0.000 -1.042 -8.048) 8.115======================= Grid point 413 (150/231) =======================q-point: ( 0.46 0.38 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.154 ( -1.563 6.765 -6.637) 9.605 1.303 ( 5.423 10.236 -0.360) 11.589 1.710 ( 0.434 15.442 -6.472) 16.749 2.208 ( 2.934 2.789 1.472) 4.307 2.690 ( 6.244 8.055 7.420) 12.607 2.752 ( -4.210 -6.504 10.556) 13.094 3.011 ( 1.420 -3.398 -5.809) 6.878 3.267 ( -1.836 6.215 -1.097) 6.572 3.362 ( 2.063 2.795 0.848) 3.576 3.525 ( 5.674 -3.928 2.233) 7.253 3.800 ( -1.783 -10.441 -1.570) 10.708 4.514 ( -7.417 -1.001 -7.574) 10.648======================= Grid point 414 (151/231) =======================q-point: ( 0.54 0.38 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.209 ( 2.655 6.779 -3.122) 7.922 1.515 ( 6.375 12.114 2.552) 13.925 1.860 ( 2.743 12.755 -3.512) 13.511 2.285 ( 5.044 1.228 -2.679) 5.842 2.616 ( -4.564 -7.064 7.467) 11.246 2.855 ( -0.298 -1.737 -0.662) 1.883 3.049 ( 7.388 4.622 3.304) 9.320 3.292 ( -0.455 2.888 1.073) 3.114 3.390 ( -0.347 0.925 -1.231) 1.579 3.589 ( 1.599 -0.852 -2.707) 3.258 3.699 ( 2.252 -7.309 1.889) 7.878 4.331 ( -10.153 -0.863 -5.707) 11.679======================= Grid point 415 (152/231) =======================q-point: ( 0.62 0.38 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.333 ( 3.299 7.737 0.457) 8.423 1.734 ( 3.002 13.171 4.583) 14.265 2.003 ( 4.010 5.987 -0.125) 7.207 2.398 ( 9.474 -0.723 -4.557) 10.538 2.520 ( -3.657 -2.008 2.207) 4.720 2.741 ( -3.918 -6.453 -3.675) 8.397 3.247 ( 5.324 5.174 4.931) 8.912 3.322 ( 2.778 -0.325 0.965) 2.958 3.343 ( -5.266 0.647 -1.350) 5.475 3.568 ( -0.293 0.796 -3.064) 3.179 3.725 ( 1.940 -1.206 1.622) 2.801 4.158 ( -6.277 -2.711 -2.163) 7.172======================= Grid point 416 (153/231) =======================q-point: ( 0.69 0.38 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.436 ( -0.042 6.508 1.295) 6.636 1.862 ( -2.607 9.374 4.085) 10.552 2.087 ( 1.730 -1.013 1.424) 2.460 2.445 ( -3.430 -0.594 -4.246) 5.491 2.491 ( 3.577 -1.781 -2.469) 4.697 2.739 ( 9.231 3.306 -2.318) 10.076 3.198 ( -6.557 -3.695 -0.513) 7.544 3.345 ( -0.309 3.728 2.431) 4.461 3.415 ( 3.835 2.751 1.228) 4.876 3.556 ( -1.250 -1.494 -0.564) 2.028 3.724 ( -3.340 4.315 -0.899) 5.530 4.078 ( 1.945 -6.209 1.187) 6.614======================= Grid point 417 (154/231) =======================q-point: (-0.23 0.38 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.454 ( -3.545 3.109 0.920) 4.804 1.869 ( -5.176 4.866 3.847) 8.079 2.018 ( -5.093 -5.571 0.063) 7.549 2.449 ( 3.615 2.848 -2.033) 5.031 2.527 ( 1.327 3.863 -4.235) 5.884 2.950 ( 6.861 1.812 -2.861) 7.651 3.060 ( -4.121 0.692 1.008) 4.299 3.372 ( -1.121 2.482 0.918) 2.874 3.447 ( -2.836 -2.309 0.517) 3.694 3.515 ( 0.873 -1.398 2.734) 3.193 3.714 ( -3.304 6.389 -2.239) 7.534 4.090 ( 6.274 -7.644 1.954) 10.080======================= Grid point 418 (155/231) =======================q-point: (-0.15 0.38 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.403 ( -4.321 0.066 1.106) 4.461 1.799 ( -9.702 -0.225 4.366) 10.641 1.910 ( -0.942 -1.423 1.638) 2.365 2.537 ( 0.290 8.087 -5.759) 9.932 2.582 ( 3.044 0.948 -1.406) 3.484 2.845 ( -6.033 -3.363 -3.268) 7.641 3.151 ( -0.981 4.681 2.201) 5.265 3.336 ( -5.681 -4.115 2.982) 7.622 3.377 ( 2.200 0.225 -2.146) 3.081 3.560 ( 3.515 -0.469 2.249) 4.199 3.717 ( -2.892 5.840 -1.977) 6.810 4.143 ( 8.109 -7.066 0.796) 10.785======================= Grid point 426 (156/231) =======================q-point: ( 0.46 0.46 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.214 ( 0.000 2.734 -9.288) 9.682 1.274 ( 0.000 6.167 -5.916) 8.545 1.819 ( 0.000 13.160 -5.614) 14.308 2.286 ( -0.000 8.375 9.366) 12.564 2.706 ( -0.000 -6.042 9.196) 11.003 2.786 ( -0.000 7.035 9.228) 11.603 2.949 ( 0.000 -2.983 -7.646) 8.207 3.336 ( -0.000 2.087 2.800) 3.492 3.390 ( 0.000 7.629 -3.711) 8.484 3.409 ( -0.000 -8.709 3.933) 9.556 3.725 ( 0.000 -6.724 -3.945) 7.796 4.539 ( 0.000 -1.751 -7.358) 7.564======================= Grid point 427 (157/231) =======================q-point: ( 0.54 0.46 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.200 ( 1.788 3.095 -5.640) 6.678 1.424 ( 11.213 5.082 -5.398) 13.443 1.925 ( 0.914 9.286 -2.467) 9.652 2.361 ( -4.154 8.403 8.454) 12.623 2.627 ( -2.212 -7.470 7.088) 10.533 2.855 ( -2.441 -2.368 -4.085) 5.316 2.996 ( 7.206 8.350 3.749) 11.649 3.296 ( -1.275 -4.840 2.886) 5.778 3.419 ( 1.134 2.215 0.018) 2.488 3.476 ( 5.935 -0.116 -0.521) 5.959 3.648 ( -1.487 -3.307 -3.819) 5.266 4.445 ( -6.295 -1.386 -6.234) 8.967======================= Grid point 428 (158/231) =======================q-point: ( 0.62 0.46 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.304 ( 6.495 4.385 -1.055) 7.907 1.682 ( 14.417 5.736 -2.793) 15.765 2.001 ( 1.548 2.891 1.405) 3.568 2.369 ( -3.803 3.089 5.994) 7.742 2.581 ( -2.689 2.473 1.149) 3.830 2.742 ( -3.790 -4.314 -4.154) 7.087 3.211 ( 7.862 4.648 1.398) 9.240 3.250 ( 0.577 -4.394 3.309) 5.531 3.430 ( -2.551 2.757 -1.515) 4.051 3.559 ( 3.555 -0.750 -1.741) 4.029 3.622 ( 3.302 -1.766 0.567) 3.787 4.284 ( -9.517 -0.580 -4.234) 10.433======================= Grid point 429 (159/231) =======================q-point: ( 0.69 0.46 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.447 ( 5.125 3.486 0.309) 6.206 1.924 ( 7.201 3.692 -1.563) 8.242 2.054 ( 2.015 0.068 4.331) 4.777 2.374 ( 2.744 -0.106 1.557) 3.156 2.503 ( -4.859 -2.710 -2.644) 6.160 2.726 ( 0.043 9.178 -1.056) 9.239 3.192 ( 0.091 -7.323 0.063) 7.324 3.374 ( 3.760 2.911 -0.021) 4.755 3.413 ( -1.106 3.678 1.135) 4.005 3.564 ( -1.158 -0.231 -1.478) 1.891 3.702 ( 6.552 -1.904 1.350) 6.955 4.111 ( -8.930 -0.642 -1.964) 9.166======================= Grid point 430 (160/231) =======================q-point: ( 0.77 0.46 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.512 ( -0.045 0.544 0.339) 0.643 1.985 ( -0.528 1.205 1.341) 1.879 2.028 ( -3.505 -4.657 -0.191) 5.831 2.394 ( 0.535 -0.096 -0.803) 0.969 2.537 ( 5.440 5.060 -0.374) 7.439 2.862 ( 5.603 9.312 -0.643) 10.887 3.107 ( -2.941 -5.249 0.019) 6.017 3.401 ( 0.062 1.498 0.100) 1.502 3.467 ( 1.204 0.855 0.684) 1.627 3.504 ( -3.338 -3.532 -0.247) 4.866 3.798 ( 3.375 3.795 -0.096) 5.079 3.978 ( -3.497 -4.201 0.035) 5.467======================= Grid point 431 (161/231) =======================q-point: (-0.15 0.46 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.473 ( -3.365 -1.410 0.934) 3.766 1.901 ( -4.607 -6.535 0.886) 8.044 1.973 ( -3.721 3.695 2.743) 5.918 2.451 ( 5.941 0.204 -0.897) 6.012 2.629 ( -0.309 5.561 -3.240) 6.443 2.948 ( -7.299 1.897 -2.763) 8.031 3.094 ( 8.763 -0.131 0.908) 8.811 3.372 ( -5.101 -1.777 1.166) 5.526 3.430 ( -2.609 0.448 0.212) 2.656 3.487 ( 3.521 -2.710 1.244) 4.614 3.827 ( -5.202 3.660 -1.286) 6.489 3.965 ( 7.224 -3.692 0.671) 8.140======================= Grid point 440 (162/231) =======================q-point: ( 0.54 0.54 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.179 ( 0.000 0.636 -6.347) 6.379 1.343 ( 0.000 4.660 -3.245) 5.679 1.981 ( -0.000 3.901 0.518) 3.936 2.529 ( -0.000 9.553 9.746) 13.647 2.596 ( -0.000 -4.767 5.443) 7.235 2.827 ( 0.000 -4.327 -8.411) 9.459 3.022 ( -0.000 6.628 2.998) 7.274 3.263 ( -0.000 -6.938 6.308) 9.377 3.377 ( -0.000 0.926 0.868) 1.269 3.480 ( 0.000 3.431 -3.392) 4.825 3.630 ( 0.000 -0.587 -3.840) 3.885 4.464 ( 0.000 -1.364 -5.726) 5.886======================= Grid point 441 (163/231) =======================q-point: ( 0.62 0.54 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.223 ( 5.377 2.190 -1.583) 6.018 1.480 ( 11.490 4.056 -1.483) 12.274 1.998 ( 0.547 -2.036 3.461) 4.052 2.518 ( -6.553 3.254 4.618) 8.652 2.641 ( -1.459 1.089 -0.626) 1.925 2.759 ( -0.664 1.849 -1.465) 2.451 3.085 ( 5.139 -5.509 -1.122) 7.617 3.254 ( 0.435 2.025 4.859) 5.282 3.434 ( 5.013 -0.517 0.573) 5.072 3.483 ( -0.660 1.012 -2.604) 2.871 3.621 ( -0.628 1.649 -1.573) 2.364 4.393 ( -5.408 -0.248 -4.446) 7.005======================= Grid point 442 (164/231) =======================q-point: ( 0.69 0.54 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.355 ( 7.559 1.383 -0.249) 7.689 1.743 ( 14.237 2.853 -1.751) 14.625 2.006 ( 2.712 -3.565 5.628) 7.193 2.440 ( -5.974 0.515 -0.277) 6.003 2.543 ( -4.482 -1.942 -1.667) 5.162 2.844 ( -0.511 11.378 2.482) 11.657 3.079 ( 3.588 -8.736 -0.387) 9.452 3.324 ( 4.205 1.015 -0.502) 4.355 3.467 ( -1.671 2.295 -0.111) 2.841 3.524 ( 5.906 -1.908 -1.097) 6.303 3.622 ( -0.180 0.667 0.862) 1.104 4.264 ( -8.928 1.031 -2.865) 9.432======================= Grid point 443 (165/231) =======================q-point: (-0.23 -0.46 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.462 ( 4.793 -1.406 -0.758) 5.052 1.905 ( 6.465 -1.533 -3.613) 7.563 2.019 ( -0.392 -6.272 -0.104) 6.286 2.428 ( 3.544 3.669 2.184) 5.549 2.490 ( -1.468 2.805 3.303) 4.575 2.925 ( -0.891 4.808 2.371) 5.434 3.068 ( 2.099 -1.555 -0.639) 2.689 3.384 ( 2.925 -0.653 -1.621) 3.407 3.449 ( -0.974 -2.238 0.249) 2.453 3.540 ( -2.306 0.262 -2.485) 3.401 3.692 ( 7.731 0.103 2.172) 8.031 4.107 ( -10.237 1.313 -1.553) 10.437======================= Grid point 454 (166/231) =======================q-point: ( 0.62 0.62 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.202 ( -0.000 3.603 2.069) 4.155 1.420 ( -0.000 3.875 1.687) 4.227 1.971 ( -0.000 -4.531 4.363) 6.291 2.623 ( 0.000 -5.826 -7.881) 9.801 2.631 ( 0.000 4.630 -0.123) 4.632 2.800 ( -0.000 7.065 7.137) 10.042 2.974 ( 0.000 -6.558 -1.326) 6.691 3.273 ( -0.000 -1.174 1.608) 1.991 3.380 ( 0.000 -0.490 -1.117) 1.219 3.500 ( 0.000 2.218 -1.053) 2.455 3.644 ( -0.000 2.287 0.118) 2.290 4.427 ( 0.000 0.987 -3.857) 3.981======================= Grid point 455 (167/231) =======================q-point: (-0.31 -0.38 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.278 ( 3.216 3.137 3.001) 5.402 1.563 ( 10.616 3.442 3.043) 11.567 1.955 ( 1.202 -3.362 4.676) 5.884 2.478 ( -4.660 -7.701 -7.312) 11.597 2.633 ( -3.379 3.608 -0.343) 4.955 2.918 ( 2.487 -0.795 4.887) 5.540 2.958 ( 2.914 3.906 -0.629) 4.914 3.252 ( 2.153 -4.599 -1.084) 5.193 3.408 ( 4.506 -1.773 -1.956) 5.222 3.515 ( -1.118 2.702 -0.093) 2.925 3.657 ( -1.310 1.661 1.399) 2.536 4.390 ( -5.152 2.498 -2.923) 6.429======================= Grid point 456 (168/231) =======================q-point: (-0.23 -0.38 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.366 ( 4.276 -0.081 1.102) 4.417 1.754 ( 8.403 -1.375 -2.363) 8.836 1.964 ( 0.661 -3.808 2.207) 4.451 2.375 ( 2.801 -1.569 1.353) 3.484 2.604 ( -3.797 3.342 -0.237) 5.064 2.901 ( 0.638 -6.719 2.807) 7.310 3.069 ( 2.133 6.123 -1.192) 6.593 3.286 ( 5.932 -2.615 0.788) 6.530 3.443 ( 0.811 -3.121 -2.554) 4.113 3.533 ( 2.131 2.597 -1.276) 3.594 3.646 ( -0.974 0.839 2.084) 2.449 4.288 ( -9.282 2.990 -1.968) 9.948======================= Grid point 468 (169/231) =======================q-point: (-0.31 -0.31 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.328 ( -0.000 5.622 6.086) 8.286 1.503 ( -0.000 2.015 5.185) 5.563 1.937 ( -0.000 -0.925 3.859) 3.968 2.411 ( 0.000 -9.104 -9.184) 12.931 2.637 ( 0.000 -4.973 -0.957) 5.064 2.944 ( 0.000 6.345 -2.989) 7.014 2.981 ( -0.000 5.876 7.361) 9.419 3.160 ( 0.000 -9.595 -0.583) 9.613 3.343 ( 0.000 -1.987 -3.031) 3.624 3.545 ( 0.000 1.751 -0.539) 1.832 3.692 ( -0.000 1.647 2.093) 2.664 4.457 ( 0.000 4.098 -2.738) 4.928======================= Grid point 469 (170/231) =======================q-point: (-0.23 -0.31 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.364 ( -1.444 2.560 4.239) 5.159 1.606 ( 6.766 -2.072 1.443) 7.222 1.949 ( -0.337 -0.152 2.031) 2.065 2.308 ( 1.959 -4.850 -2.785) 5.926 2.600 ( 1.706 -5.185 -0.524) 5.483 2.934 ( -5.029 4.999 1.092) 7.175 3.033 ( 1.274 -7.412 -1.497) 7.669 3.181 ( 6.890 2.815 3.918) 8.411 3.348 ( 4.427 -1.893 -3.639) 6.035 3.546 ( -0.674 0.537 -0.587) 1.042 3.695 ( -1.975 1.284 1.533) 2.811 4.445 ( -5.643 4.657 -2.473) 7.723======================= Grid point 482 (171/231) =======================q-point: (-0.23 -0.23 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.424 ( -0.000 0.150 1.098) 1.108 1.522 ( -0.000 -4.372 3.081) 5.349 1.975 ( -0.000 1.776 2.011) 2.683 2.208 ( 0.000 -5.955 -4.246) 7.313 2.541 ( -0.000 -2.841 2.027) 3.490 2.904 ( 0.000 -13.226 -0.400) 13.232 3.109 ( -0.000 3.032 5.722) 6.476 3.130 ( -0.000 10.001 0.023) 10.001 3.270 ( 0.000 -2.987 -4.417) 5.333 3.546 ( 0.000 -1.448 -0.394) 1.500 3.730 ( -0.000 1.609 0.597) 1.716 4.534 ( 0.000 5.413 -3.048) 6.212======================= Grid point 553 (172/231) =======================q-point: ( 0.23 0.23 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 231Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.521 ( -0.000 0.000 16.237) 16.237 0.521 ( -0.000 0.000 16.237) 16.237 0.771 ( -0.000 0.000 24.595) 24.595 2.322 ( 0.000 -0.000 -11.251) 11.251 2.322 ( 0.000 -0.000 -11.251) 11.251 2.929 ( -0.000 0.000 8.278) 8.278 2.929 ( -0.000 0.000 8.278) 8.278 2.950 ( 0.000 -0.000 -12.035) 12.035 3.272 ( 0.000 -0.000 -1.805) 1.805 3.272 ( 0.000 -0.000 -1.805) 1.805 4.377 ( -0.000 0.000 6.126) 6.126 4.725 ( 0.000 -0.000 -2.266) 2.266======================= Grid point 554 (173/231) =======================q-point: ( 0.31 0.23 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.528 ( 1.552 0.896 13.987) 14.102 0.616 ( 1.311 0.757 17.745) 17.810 1.031 ( 12.734 7.352 9.975) 17.769 2.237 ( 1.081 0.624 -6.091) 6.218 2.397 ( 5.360 3.094 -11.791) 13.316 2.845 ( -5.175 -2.988 8.372) 10.286 2.909 ( 1.395 0.805 -10.760) 10.880 3.092 ( 6.954 4.015 6.930) 10.607 3.316 ( 1.954 1.128 -0.769) 2.384 3.447 ( 11.407 6.586 -7.221) 15.021 4.358 ( -3.914 -2.260 4.639) 6.477 4.630 ( -7.363 -4.251 -3.863) 9.339======================= Grid point 555 (174/231) =======================q-point: ( 0.38 0.23 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.668 ( 7.472 4.314 8.278) 11.957 0.724 ( 3.777 2.180 11.630) 12.421 1.287 ( 10.087 5.823 -5.304) 12.798 2.365 ( 10.175 5.874 4.995) 12.766 2.483 ( 5.734 3.311 -11.628) 13.381 2.759 ( -4.876 -2.815 8.350) 10.071 2.937 ( 3.691 2.131 -9.378) 10.302 3.251 ( 5.107 2.948 4.640) 7.503 3.350 ( 1.179 0.680 -0.094) 1.364 3.611 ( 4.661 2.691 -1.892) 5.705 4.213 ( -10.949 -6.321 4.208) 13.324 4.433 ( -7.121 -4.111 -7.651) 11.231======================= Grid point 556 (175/231) =======================q-point: ( 0.46 0.23 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.847 ( 5.397 3.116 3.073) 6.948 0.889 ( 10.418 6.015 3.329) 12.481 1.492 ( 10.969 6.333 -6.078) 14.049 2.570 ( 4.575 2.641 -8.394) 9.918 2.653 ( 12.255 7.075 8.735) 16.630 2.693 ( -2.647 -1.528 5.953) 6.692 3.002 ( 4.165 2.405 -5.635) 7.408 3.334 ( 1.700 0.981 0.073) 1.964 3.367 ( 0.367 0.212 0.416) 0.593 3.631 ( -2.904 -1.676 1.654) 3.739 3.916 ( -15.290 -8.828 0.259) 17.657 4.315 ( -1.752 -1.011 -4.964) 5.360======================= Grid point 557 (176/231) =======================q-point: ( 0.54 0.23 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.989 ( 7.212 4.164 -1.475) 8.457 1.129 ( 10.558 6.096 -0.260) 12.194 1.735 ( 11.825 6.827 -1.541) 13.741 2.585 ( -2.692 -1.554 6.722) 7.406 2.725 ( 5.367 3.099 -7.719) 9.899 2.874 ( 3.515 2.029 3.250) 5.200 3.076 ( 2.387 1.378 0.568) 2.814 3.320 ( -2.075 -1.198 -3.821) 4.510 3.370 ( -0.306 -0.177 1.034) 1.093 3.530 ( -5.361 -3.095 4.822) 7.847 3.624 ( -8.116 -4.686 -4.933) 10.590 4.301 ( 0.495 0.286 -0.153) 0.592======================= Grid point 558 (177/231) =======================q-point: ( 0.62 0.23 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.146 ( 7.555 4.362 -4.015) 9.603 1.339 ( 8.667 5.004 -2.987) 10.443 1.974 ( 8.879 5.126 0.315) 10.258 2.531 ( -4.446 -2.567 9.568) 10.858 2.778 ( -9.249 -5.340 -4.448) 11.569 2.835 ( 6.635 3.831 -8.931) 11.767 3.038 ( -4.752 -2.744 2.314) 5.955 3.337 ( 1.089 0.629 3.741) 3.946 3.361 ( -0.912 -0.527 1.897) 2.170 3.421 ( -2.384 -1.376 -0.727) 2.847 3.596 ( 3.917 2.262 -3.204) 5.543 4.316 ( 0.486 0.281 2.516) 2.577======================= Grid point 559 (178/231) =======================q-point: ( 0.69 0.23 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.285 ( 6.249 3.608 -5.844) 9.285 1.485 ( 5.676 3.277 -4.876) 8.169 2.059 ( -1.232 -0.712 -4.428) 4.651 2.447 ( -6.004 -3.467 9.518) 11.776 2.638 ( -0.680 -0.392 -0.573) 0.972 2.922 ( -5.622 -3.246 3.854) 7.549 2.951 ( 6.121 3.534 -7.818) 10.540 3.286 ( -3.782 -2.184 -0.321) 4.379 3.341 ( -1.562 -0.902 2.931) 3.441 3.470 ( 3.123 1.803 2.291) 4.272 3.677 ( 3.316 1.915 -3.017) 4.875 4.348 ( 1.763 1.018 3.842) 4.348======================= Grid point 560 (179/231) =======================q-point: (-0.23 0.23 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.381 ( 4.016 2.318 -4.874) 6.727 1.554 ( 1.846 1.066 -5.307) 5.719 1.985 ( -1.702 -0.983 -5.920) 6.237 2.329 ( -6.999 -4.041 7.992) 11.366 2.624 ( -3.587 -2.071 1.729) 4.489 2.914 ( 4.836 2.792 3.279) 6.475 3.048 ( 4.650 2.685 -6.722) 8.603 3.165 ( -7.213 -4.164 -1.686) 8.497 3.310 ( -2.226 -1.285 3.914) 4.682 3.533 ( 1.745 1.008 1.933) 2.793 3.712 ( 0.981 0.566 -2.085) 2.372 4.424 ( 3.913 2.259 3.970) 6.015======================= Grid point 567 (180/231) =======================q-point: ( 0.31 0.31 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.587 ( -0.000 6.037 13.009) 14.341 0.760 ( -0.000 9.001 10.771) 14.036 1.045 ( -0.000 11.169 14.005) 17.913 2.168 ( 0.000 -3.664 -7.905) 8.712 2.363 ( 0.000 5.332 -9.477) 10.874 2.865 ( 0.000 0.695 -4.882) 4.931 2.958 ( -0.000 2.832 2.765) 3.958 3.065 ( -0.000 3.475 5.986) 6.922 3.205 ( 0.000 -2.209 -2.647) 3.448 3.465 ( 0.000 10.398 -3.804) 11.072 4.367 ( -0.000 -5.940 4.806) 7.640 4.667 ( 0.000 -2.272 -4.997) 5.489======================= Grid point 568 (181/231) =======================q-point: ( 0.38 0.31 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.715 ( 1.036 11.236 7.063) 13.312 0.848 ( -3.156 10.118 12.729) 16.564 1.217 ( 4.140 9.250 -1.899) 10.311 2.210 ( 9.946 -0.695 -2.263) 10.224 2.418 ( 3.753 5.183 -5.803) 8.639 2.847 ( -3.826 -0.092 3.858) 5.435 2.943 ( -2.597 7.098 -4.984) 9.053 3.160 ( 6.206 -1.957 0.161) 6.509 3.285 ( 6.987 0.541 2.557) 7.460 3.558 ( 3.475 4.414 -1.921) 5.937 4.271 ( -4.035 -10.056 4.116) 11.591 4.546 ( -9.293 -0.845 -7.076) 11.711======================= Grid point 569 (182/231) =======================q-point: ( 0.46 0.31 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.865 ( 2.217 9.932 1.580) 10.298 0.943 ( -1.991 13.129 10.386) 16.858 1.379 ( 8.182 8.983 -7.187) 14.117 2.380 ( 11.528 -2.343 -7.942) 14.194 2.589 ( 9.312 8.755 5.754) 14.017 2.770 ( -5.663 -1.829 8.312) 10.223 2.994 ( 0.969 8.775 -7.578) 11.634 3.215 ( 5.463 -6.178 -2.891) 8.739 3.382 ( 2.017 1.436 3.507) 4.293 3.631 ( 2.058 -0.259 0.159) 2.080 4.070 ( -9.994 -10.059 3.093) 14.513 4.358 ( -7.945 -0.160 -6.762) 10.434======================= Grid point 570 (183/231) =======================q-point: ( 0.54 0.31 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.979 ( 1.730 8.387 1.625) 8.717 1.123 ( 3.374 15.015 3.409) 15.762 1.615 ( 10.896 9.528 -2.784) 14.740 2.505 ( 10.380 -2.264 -10.055) 14.628 2.687 ( -4.071 -3.399 8.378) 9.915 2.849 ( 7.175 6.394 5.786) 11.217 3.077 ( 1.420 7.350 -4.447) 8.707 3.207 ( 3.621 -7.753 -2.487) 8.911 3.414 ( -0.132 0.881 1.651) 1.877 3.601 ( -3.264 -1.672 -1.112) 3.832 3.788 ( -14.995 -4.164 -0.048) 15.562 4.276 ( 0.187 -2.039 -0.797) 2.197======================= Grid point 571 (184/231) =======================q-point: ( 0.62 0.31 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.104 ( 3.152 8.082 0.478) 8.689 1.329 ( 3.595 14.049 -0.224) 14.504 1.878 ( 10.164 8.016 0.294) 12.948 2.588 ( -1.220 -2.455 5.259) 5.931 2.648 ( 7.144 -4.947 -5.775) 10.433 2.870 ( -5.065 -4.499 -4.645) 8.214 3.107 ( -2.223 3.955 -1.395) 4.746 3.265 ( 5.350 0.154 4.928) 7.275 3.407 ( -0.884 -0.479 -0.266) 1.041 3.546 ( -9.482 1.074 -3.065) 10.023 3.561 ( -1.187 1.963 0.535) 2.355 4.283 ( 2.565 -3.361 2.763) 5.050======================= Grid point 572 (185/231) =======================q-point: ( 0.69 0.31 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.226 ( 3.215 6.280 -1.998) 7.333 1.495 ( 1.601 12.269 -2.633) 12.650 2.051 ( 2.480 2.867 -1.917) 4.248 2.510 ( -3.779 -6.059 7.758) 10.544 2.621 ( -1.413 -5.040 -4.065) 6.627 2.845 ( 7.258 2.269 -6.802) 10.203 3.052 ( -8.299 1.697 2.598) 8.860 3.294 ( -0.669 -1.649 0.358) 1.815 3.426 ( -1.155 1.803 1.266) 2.487 3.449 ( -1.839 3.278 1.381) 4.004 3.621 ( 3.916 1.781 -2.014) 4.751 4.307 ( 3.228 -3.432 3.835) 6.075======================= Grid point 573 (186/231) =======================q-point: (-0.23 0.31 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.313 ( 2.943 3.315 -4.155) 6.076 1.594 ( -1.265 9.456 -3.278) 10.088 2.005 ( -4.069 -0.809 -5.722) 7.068 2.410 ( -4.772 -5.412 6.827) 9.933 2.627 ( 3.628 -1.153 0.872) 3.905 2.922 ( -5.536 0.290 2.734) 6.181 2.991 ( 5.709 4.834 -6.050) 9.621 3.246 ( -4.752 -0.316 0.012) 4.763 3.385 ( -4.675 2.660 2.734) 6.034 3.507 ( 2.938 0.594 1.496) 3.350 3.675 ( 2.422 -0.351 -2.300) 3.359 4.358 ( 5.130 -2.655 3.677) 6.847======================= Grid point 581 (187/231) =======================q-point: ( 0.38 0.38 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.857 ( -0.000 13.808 5.108) 14.723 0.976 ( -0.000 8.872 2.188) 9.138 1.310 ( 0.000 12.023 -1.581) 12.126 2.103 ( 0.000 0.275 -0.731) 0.781 2.421 ( 0.000 5.329 -1.118) 5.445 2.897 ( 0.000 3.356 -0.856) 3.463 3.067 ( -0.000 6.133 2.364) 6.573 3.072 ( 0.000 -2.628 -3.997) 4.783 3.223 ( -0.000 2.899 4.159) 5.070 3.559 ( -0.000 1.277 0.674) 1.444 4.198 ( -0.000 -13.508 2.658) 13.767 4.598 ( 0.000 -0.540 -8.625) 8.642======================= Grid point 582 (188/231) =======================q-point: ( 0.46 0.38 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.964 ( -1.464 10.934 -1.566) 11.142 1.105 ( 2.642 10.420 4.143) 11.520 1.396 ( -0.219 13.648 -6.614) 15.168 2.183 ( 6.782 0.159 -1.926) 7.052 2.547 ( 7.098 8.111 6.100) 12.384 2.877 ( -5.222 -1.296 6.549) 8.476 3.064 ( 3.333 -3.334 -6.188) 7.779 3.082 ( -2.291 8.794 -3.743) 9.828 3.344 ( 5.487 1.412 4.690) 7.355 3.584 ( 2.554 -1.152 1.870) 3.368 4.048 ( -2.238 -14.297 1.887) 14.594 4.492 ( -8.254 0.188 -8.977) 12.196======================= Grid point 583 (189/231) =======================q-point: ( 0.54 0.38 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.044 ( 1.163 9.012 -2.628) 9.460 1.271 ( 1.558 14.279 5.746) 15.470 1.568 ( 6.060 14.421 -4.173) 16.189 2.280 ( 8.192 -1.808 -6.762) 10.775 2.764 ( -4.195 -3.173 7.508) 9.167 2.805 ( 6.429 5.864 8.701) 12.306 3.062 ( 3.635 -4.716 -5.641) 8.202 3.143 ( 0.063 9.514 -4.217) 10.407 3.410 ( 1.234 -0.883 3.324) 3.654 3.607 ( 0.218 -1.775 -1.121) 2.111 3.887 ( -3.317 -10.688 2.863) 11.551 4.317 ( -8.326 0.012 -6.269) 10.422======================= Grid point 584 (190/231) =======================q-point: ( 0.62 0.38 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.162 ( 2.224 9.657 0.364) 9.916 1.460 ( 0.913 16.545 4.510) 17.173 1.810 ( 8.374 11.516 -1.021) 14.275 2.395 ( 11.052 -1.968 -8.595) 14.139 2.648 ( -4.880 -6.521 7.382) 10.993 2.862 ( -2.612 -6.245 -3.297) 7.529 3.143 ( 5.135 5.953 0.329) 7.869 3.232 ( 2.126 6.234 1.734) 6.811 3.404 ( -0.805 -2.812 0.681) 3.003 3.555 ( -1.732 -1.046 -2.941) 3.570 3.747 ( -7.759 -0.930 0.621) 7.839 4.217 ( -0.391 -3.782 0.067) 3.802======================= Grid point 585 (191/231) =======================q-point: ( 0.69 0.38 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.282 ( 0.515 9.292 1.180) 9.381 1.627 ( -0.904 15.542 2.169) 15.719 2.022 ( 5.597 6.401 -0.680) 8.530 2.501 ( 0.658 -6.125 -4.359) 7.547 2.553 ( 2.691 -3.532 1.688) 4.750 2.737 ( 0.963 -3.770 -3.901) 5.510 3.211 ( -5.908 4.410 0.828) 7.419 3.292 ( 0.361 0.329 0.747) 0.892 3.391 ( 3.507 0.082 1.790) 3.939 3.552 ( 0.211 1.244 -1.694) 2.112 3.636 ( -6.344 4.417 -0.471) 7.744 4.208 ( 3.788 -6.269 3.061) 7.939======================= Grid point 586 (192/231) =======================q-point: ( 0.77 0.38 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.353 ( -1.720 7.010 0.028) 7.218 1.730 ( -3.098 11.626 0.977) 12.072 2.057 ( -3.865 0.521 -4.778) 6.168 2.425 ( -0.912 -4.437 2.263) 5.064 2.539 ( 2.633 -2.936 -0.744) 4.013 2.874 ( 11.043 4.234 -3.568) 12.353 3.075 ( -9.816 -0.872 0.619) 9.874 3.315 ( -1.621 3.077 1.297) 3.712 3.463 ( 3.223 0.611 0.771) 3.370 3.512 ( -5.373 2.766 1.265) 6.175 3.635 ( 0.783 1.241 -1.706) 2.250 4.235 ( 5.579 -6.413 3.160) 9.069======================= Grid point 595 (193/231) =======================q-point: ( 0.46 0.46 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.087 ( 0.000 7.975 -4.228) 9.027 1.121 ( 0.000 7.519 -5.153) 9.115 1.516 ( 0.000 14.543 -8.092) 16.643 2.180 ( -0.000 5.495 7.255) 9.101 2.583 ( -0.000 9.290 7.511) 11.946 2.926 ( -0.000 -3.467 6.880) 7.705 2.981 ( 0.000 -3.010 -6.725) 7.368 3.207 ( 0.000 8.360 -2.175) 8.638 3.303 ( -0.000 2.471 3.633) 4.393 3.547 ( -0.000 -3.793 3.733) 5.322 3.924 ( 0.000 -14.550 -1.002) 14.584 4.531 ( 0.000 -0.433 -9.608) 9.617======================= Grid point 596 (194/231) =======================q-point: ( 0.54 0.46 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.091 ( -0.240 6.106 -6.335) 8.802 1.283 ( 8.991 7.730 -3.890) 12.479 1.652 ( 1.584 16.020 -5.314) 16.953 2.243 ( -1.877 5.626 5.767) 8.272 2.762 ( 5.075 6.413 6.991) 10.759 2.852 ( -4.121 -5.197 10.183) 12.152 2.953 ( 2.675 -2.945 -6.180) 7.350 3.239 ( -2.159 8.984 -4.034) 10.082 3.383 ( 2.605 0.198 2.933) 3.928 3.549 ( 3.701 -3.886 2.598) 5.962 3.786 ( -0.068 -12.288 -1.218) 12.349 4.436 ( -6.856 -0.105 -8.535) 10.948======================= Grid point 597 (195/231) =======================q-point: ( 0.62 0.46 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.184 ( 4.627 7.387 -2.174) 8.984 1.524 ( 10.180 10.000 -0.756) 14.290 1.828 ( 3.794 13.453 -2.868) 14.269 2.283 ( -0.090 4.796 2.125) 5.247 2.682 ( -5.192 -8.424 5.733) 11.436 2.836 ( -2.185 -5.170 -2.647) 6.206 3.087 ( 8.743 7.116 4.441) 12.116 3.286 ( -0.100 6.162 -2.197) 6.543 3.392 ( -0.645 -2.176 1.339) 2.635 3.560 ( -0.592 -1.198 -2.889) 3.182 3.722 ( 4.306 -7.823 2.594) 9.299 4.277 ( -8.540 -0.299 -5.354) 10.084======================= Grid point 598 (196/231) =======================q-point: ( 0.69 0.46 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.336 ( 4.188 7.879 0.172) 8.924 1.767 ( 4.879 12.084 2.062) 13.194 1.998 ( 4.589 7.336 -0.550) 8.671 2.367 ( 5.606 3.274 -1.706) 6.713 2.542 ( -4.512 -6.336 1.693) 7.961 2.711 ( -3.391 -5.763 -2.035) 6.990 3.282 ( 4.247 5.520 2.073) 7.267 3.323 ( -0.363 -4.683 -0.269) 4.705 3.339 ( -1.089 4.047 0.058) 4.192 3.545 ( 0.379 1.213 -1.411) 1.899 3.737 ( 0.424 -1.008 0.692) 1.294 4.143 ( -3.716 -3.360 -0.842) 5.080======================= Grid point 599 (197/231) =======================q-point: ( 0.77 0.46 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.445 ( 0.123 6.426 0.567) 6.452 1.899 ( -2.549 9.163 3.488) 10.130 2.085 ( 0.691 0.601 -1.878) 2.089 2.403 ( -1.537 -0.321 -4.148) 4.436 2.485 ( 1.544 -3.294 0.964) 3.764 2.724 ( 8.668 4.113 -0.700) 9.620 3.194 ( -6.347 -3.700 -0.370) 7.356 3.365 ( -0.041 3.444 1.640) 3.815 3.421 ( 3.604 2.390 -0.215) 4.330 3.555 ( -0.175 -0.970 0.395) 1.061 3.714 ( -4.314 4.367 -1.190) 6.253 4.093 ( 3.170 -7.004 1.799) 7.896======================= Grid point 609 (198/231) =======================q-point: ( 0.54 0.54 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.124 ( 0.000 2.523 -9.236) 9.575 1.218 ( 0.000 6.771 -5.633) 8.808 1.772 ( 0.000 15.006 -4.044) 15.541 2.382 ( -0.000 8.867 10.510) 13.750 2.789 ( -0.000 -2.961 7.901) 8.438 2.873 ( 0.000 -3.413 -8.167) 8.852 2.882 ( -0.000 2.345 10.588) 10.844 3.348 ( 0.000 8.030 -4.412) 9.162 3.358 ( -0.000 1.460 1.858) 2.363 3.457 ( -0.000 -8.675 5.515) 10.279 3.683 ( 0.000 -7.511 -4.811) 8.920 4.463 ( 0.000 -0.609 -8.344) 8.367======================= Grid point 610 (199/231) =======================q-point: ( 0.62 0.54 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.153 ( 4.049 4.300 -4.322) 7.319 1.374 ( 11.678 5.963 -4.678) 13.922 1.902 ( 1.135 11.679 -2.104) 11.921 2.447 ( -5.632 8.931 9.553) 14.239 2.690 ( -3.687 -8.979 4.678) 10.775 2.809 ( -1.272 -5.308 -3.768) 6.632 3.039 ( 6.802 7.678 4.803) 11.326 3.317 ( -1.829 -2.064 0.939) 2.914 3.410 ( -0.668 3.308 -1.200) 3.582 3.483 ( 7.099 -3.484 1.886) 8.129 3.612 ( -0.035 -3.294 -3.636) 4.906 4.383 ( -5.725 -0.289 -6.654) 8.783======================= Grid point 611 (200/231) =======================q-point: ( 0.69 0.54 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.293 ( 7.441 4.860 -1.109) 8.956 1.653 ( 15.187 5.855 -3.097) 16.569 2.013 ( 2.139 6.098 1.134) 6.561 2.435 ( -5.569 2.452 7.551) 9.698 2.581 ( -4.349 -1.330 -1.774) 4.882 2.717 ( -2.948 -2.300 -0.314) 3.752 3.214 ( 6.763 -1.101 -0.071) 6.853 3.283 ( 0.647 -0.471 2.597) 2.717 3.412 ( -2.052 3.137 -2.226) 4.359 3.546 ( 1.666 0.511 -0.553) 1.828 3.630 ( 5.899 -2.842 0.890) 6.608 4.243 ( -8.493 0.069 -4.168) 9.461======================= Grid point 623 (201/231) =======================q-point: ( 0.62 0.62 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.134 ( 0.000 3.608 -3.033) 4.714 1.321 ( 0.000 6.462 -1.252) 6.582 1.983 ( 0.000 6.992 -0.225) 6.995 2.613 ( -0.000 7.037 6.979) 9.911 2.656 ( -0.000 -8.452 6.950) 10.943 2.752 ( 0.000 -2.639 -6.275) 6.807 3.044 ( -0.000 2.152 1.607) 2.686 3.321 ( -0.000 -5.609 5.414) 7.795 3.380 ( 0.000 0.259 -0.111) 0.281 3.447 ( 0.000 3.522 -3.380) 4.881 3.596 ( 0.000 1.179 -2.966) 3.192 4.407 ( 0.000 -0.207 -6.068) 6.071======================= Grid point 624 (202/231) =======================q-point: (-0.31 -0.38 -0.77)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.216 ( 5.209 4.106 0.100) 6.634 1.478 ( 10.758 6.066 0.895) 12.383 2.029 ( 0.915 0.590 2.860) 3.060 2.553 ( -6.283 -2.496 1.370) 6.898 2.608 ( -2.172 -2.985 -3.762) 5.270 2.784 ( -0.324 7.344 5.545) 9.208 3.073 ( 5.174 -6.020 -1.649) 8.107 3.287 ( -0.499 -0.435 2.066) 2.170 3.435 ( 4.463 -1.205 -0.392) 4.640 3.462 ( 0.614 1.845 -1.758) 2.621 3.612 ( -0.341 3.154 -0.103) 3.174 4.349 ( -5.008 0.696 -4.683) 6.892======================= Grid point 637 (203/231) =======================q-point: (-0.31 -0.31 -0.77)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.234 ( -0.000 6.004 4.566) 7.543 1.445 ( -0.000 5.432 3.532) 6.479 2.015 ( -0.000 -3.653 4.767) 6.006 2.538 ( 0.000 -7.039 -9.499) 11.823 2.633 ( -0.000 2.406 0.439) 2.446 2.875 ( -0.000 7.608 8.089) 11.105 2.954 ( 0.000 -6.663 -2.781) 7.220 3.282 ( -0.000 -3.815 0.491) 3.847 3.365 ( 0.000 -1.144 -2.074) 2.369 3.489 ( 0.000 3.381 -1.500) 3.699 3.653 ( -0.000 3.438 1.810) 3.885 4.388 ( 0.000 1.851 -4.333) 4.711======================= Grid point 736 (204/231) =======================q-point: ( 0.31 0.31 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 231Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.663 ( -0.000 0.000 13.436) 13.436 0.663 ( -0.000 0.000 13.436) 13.436 0.989 ( -0.000 0.000 20.960) 20.960 2.220 ( 0.000 -0.000 -9.819) 9.819 2.220 ( 0.000 -0.000 -9.819) 9.819 2.832 ( 0.000 -0.000 -12.313) 12.313 3.002 ( -0.000 0.000 7.172) 7.172 3.002 ( -0.000 0.000 7.172) 7.172 3.252 ( 0.000 -0.000 -2.462) 2.462 3.252 ( 0.000 -0.000 -2.462) 2.462 4.436 ( -0.000 0.000 6.163) 6.163 4.701 ( 0.000 -0.000 -2.896) 2.896======================= Grid point 737 (205/231) =======================q-point: ( 0.38 0.31 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.658 ( 0.210 0.122 13.006) 13.009 0.778 ( 2.181 1.259 15.709) 15.909 1.102 ( 4.214 2.433 4.921) 6.921 2.200 ( 5.282 3.050 -1.549) 6.293 2.288 ( 5.017 2.897 -10.989) 12.423 2.804 ( 1.756 1.014 -10.892) 11.079 2.920 ( -4.976 -2.873 7.429) 9.392 3.151 ( 6.320 3.649 4.976) 8.833 3.304 ( 2.412 1.393 -1.760) 3.295 3.384 ( 11.504 6.642 -5.572) 14.405 4.406 ( -4.422 -2.553 5.334) 7.383 4.594 ( -8.392 -4.845 -3.723) 10.381======================= Grid point 738 (206/231) =======================q-point: ( 0.46 0.31 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.755 ( 5.149 2.973 9.727) 11.400 0.850 ( -0.206 -0.119 14.209) 14.211 1.221 ( 8.616 4.974 -8.122) 12.843 2.372 ( 5.808 3.353 -11.538) 13.346 2.425 ( 12.612 7.281 7.027) 16.169 2.836 ( -4.721 -2.726 7.763) 9.486 2.844 ( 4.641 2.679 -9.426) 10.843 3.280 ( 3.907 2.255 0.856) 4.592 3.343 ( 1.565 0.904 -1.218) 2.180 3.589 ( 6.817 3.936 -2.289) 8.198 4.253 ( -12.533 -7.236 3.721) 14.943 4.377 ( -6.865 -3.963 -3.608) 8.709======================= Grid point 739 (207/231) =======================q-point: ( 0.54 0.31 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.895 ( 2.213 1.278 6.783) 7.249 0.933 ( 8.310 4.798 5.753) 11.188 1.444 ( 12.736 7.353 -3.724) 15.170 2.471 ( 6.408 3.700 -11.273) 13.484 2.725 ( 11.200 6.466 5.383) 14.008 2.766 ( -3.888 -2.245 8.131) 9.288 2.945 ( 6.548 3.780 -5.207) 9.180 3.320 ( 0.064 0.037 -3.263) 3.264 3.366 ( 0.772 0.446 -0.668) 1.114 3.636 ( -1.952 -1.127 -0.781) 2.386 3.914 ( -16.545 -9.552 -0.574) 19.113 4.303 ( -0.684 -0.395 2.372) 2.500======================= Grid point 740 (208/231) =======================q-point: ( 0.62 0.31 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.996 ( 5.143 2.969 3.066) 6.683 1.139 ( 8.797 5.079 2.203) 10.394 1.730 ( 12.994 7.502 0.364) 15.008 2.578 ( 5.692 3.286 -8.164) 10.480 2.719 ( -2.184 -1.261 6.417) 6.895 2.884 ( 0.795 0.459 -1.193) 1.506 3.054 ( 2.086 1.204 -5.272) 5.796 3.297 ( 1.510 0.872 -0.518) 1.819 3.375 ( 0.178 0.103 0.079) 0.220 3.563 ( -3.050 -1.761 -2.679) 4.425 3.589 ( -11.179 -6.454 2.209) 13.097 4.324 ( 0.814 0.470 4.749) 4.841======================= Grid point 741 (209/231) =======================q-point: ( 0.69 0.31 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.123 ( 5.665 3.271 -0.740) 6.583 1.320 ( 7.218 4.167 -0.927) 8.386 1.979 ( 7.924 4.575 0.535) 9.165 2.614 ( -2.774 -1.601 6.808) 7.524 2.723 ( -9.165 -5.292 -6.792) 12.575 2.755 ( 5.754 3.322 -6.805) 9.511 3.051 ( -1.755 -1.013 0.265) 2.044 3.354 ( -2.535 -1.463 -0.870) 3.053 3.375 ( -0.355 -0.205 1.037) 1.115 3.422 ( 0.895 0.516 1.412) 1.749 3.580 ( 3.012 1.739 0.094) 3.480 4.353 ( 0.465 0.268 5.004) 5.033======================= Grid point 750 (210/231) =======================q-point: ( 0.38 0.38 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.716 ( -0.000 3.078 13.595) 13.939 0.842 ( -0.000 6.405 6.198) 8.913 1.151 ( -0.000 5.016 7.823) 9.293 2.109 ( 0.000 -1.681 -4.227) 4.549 2.289 ( 0.000 7.547 -5.978) 9.628 2.781 ( 0.000 3.577 -9.914) 10.539 3.020 ( -0.000 1.696 7.635) 7.821 3.103 ( -0.000 -0.083 1.205) 1.208 3.191 ( -0.000 0.345 0.545) 0.645 3.429 ( 0.000 11.534 -3.786) 12.140 4.414 ( -0.000 -6.787 5.012) 8.437 4.619 ( 0.000 -4.377 -4.956) 6.612======================= Grid point 751 (211/231) =======================q-point: ( 0.46 0.38 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.792 ( -0.347 6.501 8.569) 10.762 0.956 ( 1.772 6.863 9.738) 12.044 1.177 ( -1.262 6.748 -5.972) 9.099 2.182 ( 8.995 -0.978 -3.690) 9.771 2.399 ( 5.701 9.436 1.628) 11.145 2.808 ( 1.144 5.945 -8.203) 10.195 2.967 ( -7.742 2.445 6.714) 10.535 3.141 ( 6.567 -4.771 -3.843) 8.981 3.318 ( 6.303 2.746 3.624) 7.772 3.539 ( 3.614 6.960 -1.838) 8.055 4.312 ( -3.719 -11.057 4.615) 12.545 4.481 ( -9.006 -2.680 -6.379) 11.357======================= Grid point 752 (212/231) =======================q-point: ( 0.54 0.38 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.889 ( 2.337 5.922 3.208) 7.130 1.041 ( -3.233 10.977 9.632) 14.957 1.320 ( 9.913 10.047 -4.878) 14.934 2.295 ( 9.091 -1.962 -8.965) 12.917 2.655 ( 9.904 9.982 6.429) 15.461 2.837 ( -2.947 -0.031 4.738) 5.579 2.930 ( -0.524 8.067 -3.816) 8.940 3.177 ( 5.930 -7.118 -4.900) 10.481 3.406 ( 0.772 2.621 1.283) 3.018 3.629 ( 1.577 0.386 -0.627) 1.740 4.093 ( -12.209 -9.676 1.163) 15.621 4.318 ( -4.031 -2.122 -1.130) 4.694======================= Grid point 753 (213/231) =======================q-point: ( 0.62 0.38 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.000 ( 2.766 6.678 2.978) 7.818 1.171 ( 0.596 14.175 6.269) 15.511 1.601 ( 12.345 10.055 -0.179) 15.923 2.406 ( 10.419 -1.775 -10.304) 14.761 2.763 ( -3.746 -2.948 7.149) 8.593 2.888 ( 3.349 5.496 2.225) 6.810 3.020 ( 2.259 4.729 -7.196) 8.902 3.190 ( 5.971 -3.492 -0.470) 6.933 3.421 ( -1.285 1.754 -0.224) 2.186 3.589 ( -3.044 -2.592 -1.523) 4.278 3.783 ( -15.524 -3.757 -0.711) 15.988 4.296 ( 2.308 -3.292 4.650) 6.148======================= Grid point 754 (214/231) =======================q-point: ( 0.69 0.38 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.119 ( 2.010 7.505 2.606) 8.195 1.340 ( 1.326 13.670 2.443) 13.950 1.886 ( 10.334 7.662 1.350) 12.935 2.539 ( 10.403 -0.992 -9.454) 14.092 2.680 ( -3.802 -6.734 5.843) 9.692 2.819 ( -6.512 -5.103 -5.044) 9.689 3.081 ( 0.916 7.071 -3.771) 8.066 3.305 ( 3.473 -0.301 3.151) 4.699 3.406 ( 0.231 -0.223 -0.036) 0.323 3.509 ( -6.437 2.165 -3.480) 7.631 3.581 ( -3.966 0.431 2.787) 4.867 4.324 ( 2.895 -4.081 5.541) 7.466======================= Grid point 764 (215/231) =======================q-point: ( 0.46 0.46 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.919 ( -0.000 8.648 7.562) 11.488 0.973 ( 0.000 6.241 -2.829) 6.852 1.264 ( 0.000 8.180 -7.877) 11.355 2.119 ( -0.000 2.921 4.085) 5.022 2.436 ( -0.000 8.706 3.870) 9.527 2.846 ( 0.000 8.302 -7.633) 11.278 3.026 ( 0.000 -3.796 -5.484) 6.670 3.127 ( -0.000 2.985 8.361) 8.877 3.263 ( -0.000 2.971 4.155) 5.108 3.564 ( -0.000 3.673 0.405) 3.695 4.224 ( -0.000 -15.085 2.681) 15.321 4.515 ( 0.000 -1.819 -8.648) 8.837======================= Grid point 765 (216/231) =======================q-point: ( 0.54 0.46 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.948 ( -1.496 6.581 -2.146) 7.082 1.128 ( 6.776 7.137 0.681) 9.865 1.335 ( 0.922 14.218 -5.829) 15.394 2.181 ( 1.550 2.449 1.917) 3.475 2.618 ( 8.069 9.683 8.012) 14.935 2.897 ( -1.090 5.582 -2.757) 6.321 3.006 ( 3.148 -4.974 -5.929) 8.355 3.076 ( -6.369 4.870 3.051) 8.578 3.383 ( 4.907 1.299 3.370) 6.093 3.603 ( 1.716 -0.145 1.916) 2.576 4.068 ( -1.142 -15.721 2.270) 15.925 4.408 ( -7.204 -0.414 -8.378) 11.057======================= Grid point 766 (217/231) =======================q-point: ( 0.62 0.46 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.026 ( 3.148 7.808 -1.056) 8.485 1.313 ( 4.202 11.835 2.495) 12.804 1.540 ( 7.472 14.486 -1.590) 16.377 2.234 ( 3.868 0.670 -2.626) 4.723 2.816 ( -1.151 -0.975 3.048) 3.401 2.885 ( 0.659 1.014 7.082) 7.185 3.001 ( 3.852 0.972 -6.076) 7.260 3.111 ( 2.333 7.745 -1.945) 8.319 3.435 ( 0.454 -0.500 1.500) 1.645 3.597 ( -1.352 -2.801 -0.685) 3.185 3.910 ( -4.279 -10.142 1.525) 11.113 4.273 ( -4.251 -1.323 -2.658) 5.185======================= Grid point 767 (218/231) =======================q-point: ( 0.69 0.46 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.168 ( 3.405 9.038 1.082) 9.719 1.501 ( 0.907 15.764 3.759) 16.232 1.810 ( 9.382 10.921 0.927) 14.427 2.323 ( 8.664 -0.177 -6.174) 10.640 2.701 ( -4.944 -7.885 2.661) 9.680 2.829 ( -3.702 -6.321 -2.248) 7.662 3.126 ( 2.705 9.865 -3.399) 10.779 3.257 ( 5.699 4.706 3.326) 8.105 3.405 ( -2.002 -2.867 -0.870) 3.604 3.542 ( -0.991 -1.427 0.432) 1.790 3.742 ( -9.005 -0.238 -1.499) 9.132 4.234 ( 2.439 -5.539 3.385) 6.935======================= Grid point 778 (219/231) =======================q-point: ( 0.54 0.54 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.037 ( 0.000 3.282 -6.368) 7.164 1.062 ( 0.000 6.976 -6.907) 9.817 1.451 ( 0.000 15.926 -4.998) 16.692 2.263 ( -0.000 6.943 9.826) 12.032 2.662 ( -0.000 10.089 8.608) 13.262 2.914 ( 0.000 -3.632 -7.317) 8.169 2.953 ( 0.000 4.225 -1.173) 4.385 3.218 ( -0.000 2.681 4.420) 5.170 3.333 ( -0.000 1.946 2.738) 3.359 3.584 ( -0.000 -2.835 3.888) 4.812 3.915 ( 0.000 -16.657 -0.876) 16.680 4.437 ( 0.000 -0.182 -9.685) 9.687======================= Grid point 779 (220/231) =======================q-point: ( 0.62 0.54 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.037 ( 1.884 5.854 -4.902) 7.865 1.233 ( 11.362 6.540 -6.248) 14.522 1.613 ( 2.181 16.343 -2.747) 16.715 2.314 ( -5.091 7.451 8.823) 12.621 2.804 ( 0.860 0.245 0.250) 0.929 2.904 ( 4.640 0.728 -3.016) 5.582 2.943 ( -1.698 -0.751 8.866) 9.058 3.203 ( -3.230 8.068 -2.965) 9.183 3.409 ( 2.806 -0.351 2.206) 3.587 3.572 ( 0.935 -3.865 2.104) 4.499 3.779 ( 2.614 -14.186 -0.076) 14.425 4.357 ( -5.757 0.450 -7.797) 9.703======================= Grid point 792 (221/231) =======================q-point: (-0.38 -0.38 -0.69)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.045 ( 0.000 3.743 -6.975) 7.916 1.170 ( 0.000 8.226 -4.288) 9.276 1.742 ( 0.000 15.556 -2.246) 15.718 2.483 ( -0.000 8.599 10.665) 13.700 2.794 ( 0.000 -3.687 -8.402) 9.176 2.852 ( -0.000 -0.864 5.237) 5.308 2.980 ( -0.000 0.572 9.574) 9.591 3.311 ( 0.000 6.358 -3.068) 7.059 3.371 ( -0.000 0.820 0.891) 1.211 3.512 ( -0.000 -7.957 5.928) 9.922 3.634 ( 0.000 -8.505 -5.236) 9.988 4.385 ( 0.000 0.383 -7.642) 7.652======================= Grid point 920 (222/231) =======================q-point: ( 0.38 0.38 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 231Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.772 ( -0.000 0.000 9.162) 9.162 0.772 ( -0.000 0.000 9.162) 9.162 1.162 ( -0.000 0.000 14.839) 14.839 2.139 ( 0.000 -0.000 -6.973) 6.973 2.139 ( 0.000 -0.000 -6.973) 6.973 2.724 ( 0.000 -0.000 -9.757) 9.757 3.064 ( -0.000 0.000 5.817) 5.817 3.064 ( -0.000 0.000 5.817) 5.817 3.226 ( 0.000 -0.000 -2.955) 2.955 3.226 ( 0.000 -0.000 -2.955) 2.955 4.491 ( -0.000 0.000 5.333) 5.333 4.671 ( 0.000 -0.000 -3.190) 3.190======================= Grid point 921 (223/231) =======================q-point: ( 0.46 0.38 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.770 ( 0.154 0.089 10.227) 10.229 0.899 ( 6.010 3.470 8.261) 10.789 1.133 ( -5.103 -2.946 2.417) 6.368 2.192 ( 4.187 2.418 -9.012) 10.227 2.204 ( 9.336 5.390 1.964) 10.958 2.712 ( 1.962 1.133 -7.757) 8.081 2.986 ( -4.685 -2.705 6.455) 8.422 3.177 ( 4.847 2.798 -0.117) 5.598 3.282 ( 2.771 1.600 -2.753) 4.220 3.350 ( 11.542 6.664 -1.179) 13.379 4.457 ( -4.327 -2.498 5.064) 7.114 4.559 ( -8.951 -5.168 -3.609) 10.948======================= Grid point 922 (224/231) =======================q-point: ( 0.54 0.38 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.847 ( 3.969 2.292 9.256) 10.329 0.977 ( -4.010 -2.315 10.769) 11.722 1.146 ( 10.961 6.328 -5.687) 13.876 2.266 ( 5.373 3.102 -10.423) 12.130 2.481 ( 12.948 7.475 3.590) 15.376 2.774 ( 5.507 3.180 -4.217) 7.631 2.906 ( -4.367 -2.521 7.041) 8.661 3.264 ( 3.035 1.752 -4.181) 5.455 3.326 ( 1.939 1.120 -2.329) 3.231 3.573 ( 6.999 4.041 -1.062) 8.151 4.268 ( -15.083 -8.708 -0.866) 17.438 4.378 ( -3.976 -2.296 3.920) 6.037======================= Grid point 923 (225/231) =======================q-point: ( 0.62 0.38 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.968 ( 0.937 0.541 7.887) 7.961 0.995 ( 6.728 3.884 7.039) 10.483 1.426 ( 14.112 8.148 0.200) 16.296 2.363 ( 6.518 3.763 -11.105) 13.415 2.731 ( 9.299 5.369 -4.541) 11.658 2.842 ( -3.612 -2.085 7.832) 8.873 2.928 ( 7.556 4.363 2.021) 8.956 3.273 ( -0.309 -0.179 -6.083) 6.093 3.354 ( 1.217 0.703 -1.732) 2.230 3.617 ( -1.779 -1.027 -2.969) 3.610 3.910 ( -16.065 -9.275 0.031) 18.550 4.353 ( -0.230 -0.133 7.604) 7.609======================= Grid point 934 (226/231) =======================q-point: ( 0.46 0.46 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.836 ( -0.000 3.701 11.280) 11.872 0.874 ( -0.000 3.676 0.249) 3.685 1.189 ( -0.000 -2.065 0.228) 2.078 2.092 ( -0.000 0.787 0.672) 1.035 2.249 ( 0.000 10.749 -2.718) 11.087 2.698 ( 0.000 3.538 -6.569) 7.461 3.087 ( 0.000 -3.801 -3.724) 5.321 3.091 ( -0.000 2.715 6.996) 7.504 3.216 ( -0.000 3.166 3.769) 4.922 3.393 ( 0.000 12.287 -3.755) 12.848 4.460 ( -0.000 -7.073 4.479) 8.372 4.572 ( 0.000 -6.345 -4.787) 7.948======================= Grid point 935 (227/231) =======================q-point: ( 0.54 0.46 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.861 ( -0.610 2.827 4.769) 5.577 1.029 ( 8.412 5.810 5.340) 11.534 1.116 ( -4.827 3.928 -5.664) 8.415 2.152 ( 4.107 0.815 -1.980) 4.631 2.427 ( 7.710 12.315 2.615) 14.763 2.741 ( 2.104 5.913 -4.491) 7.718 3.033 ( -8.201 2.382 6.826) 10.933 3.094 ( 6.542 -5.697 -5.764) 10.416 3.344 ( 4.100 3.865 1.618) 5.862 3.526 ( 4.368 8.383 -0.844) 9.491 4.356 ( -4.052 -12.326 4.041) 13.589 4.427 ( -6.995 -3.876 -4.626) 9.239======================= Grid point 936 (228/231) =======================q-point: ( 0.62 0.46 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.921 ( 3.456 2.540 3.333) 5.432 1.112 ( -1.760 9.758 4.587) 10.925 1.298 ( 11.767 10.217 1.014) 15.616 2.221 ( 5.906 -0.228 -6.319) 8.652 2.678 ( 6.576 11.546 -2.862) 13.592 2.859 ( 5.503 4.805 2.974) 7.888 2.949 ( -5.984 1.708 5.593) 8.367 3.124 ( 6.349 -6.736 -5.982) 11.022 3.406 ( -0.486 3.870 -1.246) 4.094 3.619 ( 0.426 1.017 -1.421) 1.799 4.089 ( -13.935 -8.800 -1.716) 16.570 4.340 ( 0.724 -4.910 5.319) 7.275======================= Grid point 948 (229/231) =======================q-point: ( 0.54 0.54 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.925 ( 0.000 4.683 -6.914) 8.351 0.992 ( -0.000 1.357 6.483) 6.623 1.173 ( 0.000 9.194 -9.758) 13.407 2.178 ( -0.000 4.986 7.999) 9.426 2.478 ( -0.000 12.095 3.722) 12.654 2.780 ( 0.000 8.383 -5.065) 9.794 2.970 ( 0.000 -4.501 -6.308) 7.749 3.205 ( -0.000 2.974 7.637) 8.196 3.299 ( -0.000 2.646 3.353) 4.271 3.567 ( -0.000 6.224 0.306) 6.232 4.249 ( -0.000 -16.620 2.580) 16.819 4.437 ( 0.000 -3.263 -7.595) 8.267======================= Grid point 1105 (230/231) =======================q-point: ( 0.46 0.46 0.46)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 231Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.832 ( -0.000 0.000 3.305) 3.305 0.832 ( -0.000 0.000 3.305) 3.305 1.261 ( -0.000 0.000 5.523) 5.523 2.093 ( 0.000 -0.000 -2.573) 2.573 2.093 ( 0.000 -0.000 -2.573) 2.573 2.657 ( 0.000 -0.000 -3.844) 3.844 3.109 ( -0.000 0.000 3.070) 3.070 3.109 ( -0.000 0.000 3.070) 3.070 3.199 ( 0.000 -0.000 -2.110) 2.110 3.199 ( 0.000 -0.000 -2.110) 2.110 4.532 ( -0.000 0.000 2.698) 2.698 4.644 ( 0.000 -0.000 -1.955) 1.955======================= Grid point 1106 (231/231) =======================q-point: ( 0.54 0.46 0.46)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 2.84e-04 2.84e-04 4.65e-08 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.847 ( 1.215 0.701 5.674) 5.845 0.916 ( 6.321 3.650 -4.371) 8.508 1.165 ( -7.221 -4.169 4.122) 9.302 2.122 ( 2.719 1.570 -5.496) 6.330 2.227 ( 10.940 6.316 2.350) 12.849 2.669 ( 2.321 1.340 -0.794) 2.796 3.043 ( -4.239 -2.447 5.389) 7.280 3.150 ( 3.465 2.001 -5.056) 6.448 3.252 ( 2.985 1.724 -3.609) 4.991 3.360 ( 11.226 6.481 2.824) 13.267 4.489 ( -4.277 -2.469 0.001) 4.938 4.538 ( -8.569 -4.947 0.906) 9.936=================== 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 3/26364 10.0 197.721 197.721 266.531 0.000 -0.000 0.000 3/26364 20.0 87.142 87.142 62.902 0.000 -0.000 0.000 3/26364 30.0 41.215 41.215 23.594 0.000 -0.000 0.000 3/26364 40.0 25.657 25.657 13.446 0.000 -0.000 0.000 3/26364 50.0 18.704 18.704 9.544 0.000 -0.000 0.000 3/26364 60.0 14.853 14.853 7.532 0.000 -0.000 0.000 3/26364 70.0 12.401 12.401 6.290 0.000 -0.000 0.000 3/26364 80.0 10.689 10.689 5.433 0.000 -0.000 0.000 3/26364 90.0 9.418 9.418 4.799 0.000 -0.000 0.000 3/26364 100.0 8.431 8.431 4.306 0.000 -0.000 0.000 3/26364 110.0 7.640 7.640 3.910 0.000 -0.000 0.000 3/26364 120.0 6.990 6.990 3.583 0.000 -0.000 0.000 3/26364 130.0 6.445 6.445 3.309 0.000 -0.000 0.000 3/26364 140.0 5.981 5.981 3.075 0.000 -0.000 0.000 3/26364 150.0 5.581 5.581 2.873 0.000 -0.000 0.000 3/26364 160.0 5.233 5.233 2.696 0.000 -0.000 0.000 3/26364 170.0 4.926 4.926 2.540 0.000 -0.000 0.000 3/26364 180.0 4.653 4.653 2.401 0.000 -0.000 0.000 3/26364 190.0 4.410 4.410 2.277 0.000 -0.000 0.000 3/26364 200.0 4.191 4.191 2.165 0.000 -0.000 0.000 3/26364 210.0 3.993 3.993 2.064 0.000 -0.000 0.000 3/26364 220.0 3.813 3.813 1.972 0.000 -0.000 0.000 3/26364 230.0 3.648 3.648 1.887 0.000 -0.000 0.000 3/26364 240.0 3.498 3.498 1.810 0.000 -0.000 0.000 3/26364 250.0 3.359 3.359 1.739 0.000 -0.000 0.000 3/26364 260.0 3.231 3.231 1.673 0.000 -0.000 0.000 3/26364 270.0 3.113 3.113 1.612 0.000 -0.000 0.000 3/26364 280.0 3.003 3.003 1.556 0.000 -0.000 0.000 3/26364 290.0 2.900 2.900 1.503 0.000 -0.000 0.000 3/26364 300.0 2.805 2.805 1.454 0.000 -0.000 0.000 3/26364 310.0 2.715 2.715 1.408 0.000 -0.000 0.000 3/26364 320.0 2.631 2.631 1.364 0.000 -0.000 0.000 3/26364 330.0 2.552 2.552 1.324 0.000 -0.000 0.000 3/26364 340.0 2.478 2.478 1.285 0.000 -0.000 0.000 3/26364 350.0 2.408 2.408 1.249 0.000 -0.000 0.000 3/26364 360.0 2.341 2.341 1.215 0.000 -0.000 0.000 3/26364 370.0 2.279 2.279 1.183 0.000 -0.000 0.000 3/26364 380.0 2.219 2.219 1.152 0.000 -0.000 0.000 3/26364 390.0 2.163 2.163 1.123 0.000 -0.000 0.000 3/26364 400.0 2.110 2.110 1.095 0.000 -0.000 0.000 3/26364 410.0 2.059 2.059 1.069 0.000 -0.000 0.000 3/26364 420.0 2.010 2.010 1.044 0.000 -0.000 0.000 3/26364 430.0 1.964 1.964 1.020 0.000 -0.000 0.000 3/26364 440.0 1.919 1.919 0.997 0.000 -0.000 0.000 3/26364 450.0 1.877 1.877 0.975 0.000 -0.000 0.000 3/26364 460.0 1.837 1.837 0.954 0.000 -0.000 0.000 3/26364 470.0 1.798 1.798 0.934 0.000 -0.000 0.000 3/26364 480.0 1.761 1.761 0.915 0.000 -0.000 0.000 3/26364 490.0 1.725 1.725 0.896 0.000 -0.000 0.000 3/26364 500.0 1.691 1.691 0.879 0.000 -0.000 0.000 3/26364 510.0 1.658 1.658 0.862 0.000 -0.000 0.000 3/26364 520.0 1.627 1.627 0.845 0.000 -0.000 0.000 3/26364 530.0 1.596 1.596 0.830 0.000 -0.000 0.000 3/26364 540.0 1.567 1.567 0.814 0.000 -0.000 0.000 3/26364 550.0 1.539 1.539 0.800 0.000 -0.000 0.000 3/26364 560.0 1.511 1.511 0.786 0.000 -0.000 0.000 3/26364 570.0 1.485 1.485 0.772 0.000 -0.000 0.000 3/26364 580.0 1.460 1.460 0.759 0.000 -0.000 0.000 3/26364 590.0 1.435 1.435 0.746 0.000 -0.000 0.000 3/26364 600.0 1.411 1.411 0.734 0.000 -0.000 0.000 3/26364 610.0 1.388 1.388 0.722 0.000 -0.000 0.000 3/26364 620.0 1.366 1.366 0.710 0.000 -0.000 0.000 3/26364 630.0 1.345 1.345 0.699 0.000 -0.000 0.000 3/26364 640.0 1.324 1.324 0.688 0.000 -0.000 0.000 3/26364 650.0 1.304 1.304 0.678 0.000 -0.000 0.000 3/26364 660.0 1.284 1.284 0.668 0.000 -0.000 0.000 3/26364 670.0 1.265 1.265 0.658 0.000 -0.000 0.000 3/26364 680.0 1.246 1.246 0.648 0.000 -0.000 0.000 3/26364 690.0 1.228 1.228 0.639 0.000 -0.000 0.000 3/26364 700.0 1.211 1.211 0.630 0.000 -0.000 0.000 3/26364 710.0 1.194 1.194 0.621 0.000 -0.000 0.000 3/26364 720.0 1.178 1.178 0.613 0.000 -0.000 0.000 3/26364 730.0 1.162 1.162 0.604 0.000 -0.000 0.000 3/26364 740.0 1.146 1.146 0.596 0.000 -0.000 0.000 3/26364 750.0 1.131 1.131 0.588 0.000 -0.000 0.000 3/26364 760.0 1.116 1.116 0.581 0.000 -0.000 0.000 3/26364 770.0 1.102 1.102 0.573 0.000 -0.000 0.000 3/26364 780.0 1.088 1.088 0.566 0.000 -0.000 0.000 3/26364 790.0 1.074 1.074 0.559 0.000 -0.000 0.000 3/26364 800.0 1.061 1.061 0.552 0.000 -0.000 0.000 3/26364 810.0 1.048 1.048 0.545 0.000 -0.000 0.000 3/26364 820.0 1.035 1.035 0.538 0.000 -0.000 0.000 3/26364 830.0 1.023 1.023 0.532 0.000 -0.000 0.000 3/26364 840.0 1.010 1.010 0.526 0.000 -0.000 0.000 3/26364 850.0 0.999 0.999 0.520 0.000 -0.000 0.000 3/26364 860.0 0.987 0.987 0.514 0.000 -0.000 0.000 3/26364 870.0 0.976 0.976 0.508 0.000 -0.000 0.000 3/26364 880.0 0.965 0.965 0.502 0.000 -0.000 0.000 3/26364 890.0 0.954 0.954 0.496 0.000 -0.000 0.000 3/26364 900.0 0.943 0.943 0.491 0.000 -0.000 0.000 3/26364 910.0 0.933 0.933 0.486 0.000 -0.000 0.000 3/26364 920.0 0.923 0.923 0.480 0.000 -0.000 0.000 3/26364 930.0 0.913 0.913 0.475 0.000 -0.000 0.000 3/26364 940.0 0.904 0.904 0.470 0.000 -0.000 0.000 3/26364 950.0 0.894 0.894 0.465 0.000 -0.000 0.000 3/26364 960.0 0.885 0.885 0.460 0.000 -0.000 0.000 3/26364 970.0 0.876 0.876 0.456 0.000 -0.000 0.000 3/26364 980.0 0.867 0.867 0.451 0.000 -0.000 0.000 3/26364 990.0 0.858 0.858 0.447 0.000 -0.000 0.000 3/26364 1000.0 0.850 0.850 0.442 0.000 -0.000 0.000 3/26364Thermal conductivity related properties were written into "kappa-m131313.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-07 23:57:32]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|