# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/84cba75c-20fe-4b42-af9e-aac96bff6a3b/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 KHO / Cmc2_1 (36) / materials id 626785](https://mdr.nims.go.jp/datasets/6e9e2a13-0059-4900-ae43-8cc8f50df466) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-08 20:38:48]-------------------------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 1 3] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.]Spacegroup: Cmc2_1 (36)Number of symmetry operations in supercell: 72------------------------------ primitive cell ------------------------------Lattice vectors: a 1.982439585000000 -5.143280370000000 0.000000000000000 b 1.982439585000000 5.143280370000000 0.000000000000000 c 0.000000000000000 0.000000000000000 3.970971660000000Atomic positions (fractional): *1 K 0.63921700637191 0.36078299362809 0.24127427645402 39.098 2 K 0.36078299362809 0.63921700637191 0.74127427645402 39.098 *3 H 0.97185878815908 0.02814121184092 0.08894462869909 1.008 4 H 0.02814121184092 0.97185878815908 0.58894462869909 1.008 *5 O 0.90206744319186 0.09793255680814 0.26436610484689 15.999 6 O 0.09793255680814 0.90206744319186 0.76436610484689 15.999-------------------------------- unit cell ---------------------------------Lattice vectors: a 3.964879170000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.286560740000001 0.000000000000000 c 0.000000000000000 0.000000000000000 3.970971660000000Atomic positions (fractional): *1 K 0.50000000000000 0.86078299362809 0.24127427645402 39.098 > 1 2 K 0.00000000000000 0.63921700637191 0.74127427645402 39.098 > 2 3 K 0.00000000000000 0.36078299362809 0.24127427645402 39.098 > 1 4 K 0.50000000000000 0.13921700637191 0.74127427645402 39.098 > 2 *5 H 0.50000000000000 0.52814121184092 0.08894462869909 1.008 > 3 6 H 0.00000000000000 0.97185878815908 0.58894462869909 1.008 > 4 7 H 0.00000000000000 0.02814121184092 0.08894462869909 1.008 > 3 8 H 0.50000000000000 0.47185878815908 0.58894462869909 1.008 > 4 *9 O 0.50000000000000 0.59793255680814 0.26436610484689 15.999 > 5 10 O 0.00000000000000 0.90206744319186 0.76436610484689 15.999 > 6 11 O 0.00000000000000 0.09793255680814 0.26436610484689 15.999 > 5 12 O 0.50000000000000 0.40206744319186 0.76436610484689 15.999 > 6-------------------------------- super cell --------------------------------Lattice vectors: a 11.894637510000001 0.000000000000000 0.000000000000000 b 0.000000000000000 10.286560740000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.912914980000000Atomic positions (fractional): *1 K 0.16666666666667 0.86078299362809 0.08042475881800 39.098 > 1 2 K 0.50000000000000 0.86078299362809 0.08042475881800 39.098 > 1 3 K 0.83333333333333 0.86078299362809 0.08042475881800 39.098 > 1 4 K 0.16666666666667 0.86078299362809 0.41375809215134 39.098 > 1 5 K 0.50000000000000 0.86078299362809 0.41375809215134 39.098 > 1 6 K 0.83333333333333 0.86078299362809 0.41375809215134 39.098 > 1 7 K 0.16666666666667 0.86078299362809 0.74709142548467 39.098 > 1 8 K 0.50000000000000 0.86078299362809 0.74709142548467 39.098 > 1 9 K 0.83333333333333 0.86078299362809 0.74709142548467 39.098 > 1 10 K 0.00000000000000 0.63921700637191 0.24709142548467 39.098 > 2 11 K 0.33333333333333 0.63921700637191 0.24709142548467 39.098 > 2 12 K 0.66666666666667 0.63921700637191 0.24709142548467 39.098 > 2 13 K 0.00000000000000 0.63921700637191 0.58042475881800 39.098 > 2 14 K 0.33333333333333 0.63921700637191 0.58042475881800 39.098 > 2 15 K 0.66666666666667 0.63921700637191 0.58042475881800 39.098 > 2 16 K 0.00000000000000 0.63921700637191 0.91375809215134 39.098 > 2 17 K 0.33333333333333 0.63921700637191 0.91375809215134 39.098 > 2 18 K 0.66666666666667 0.63921700637191 0.91375809215134 39.098 > 2 19 K 0.00000000000000 0.36078299362809 0.08042475881800 39.098 > 1 20 K 0.33333333333333 0.36078299362809 0.08042475881800 39.098 > 1 21 K 0.66666666666667 0.36078299362809 0.08042475881800 39.098 > 1 22 K 0.00000000000000 0.36078299362809 0.41375809215134 39.098 > 1 23 K 0.33333333333333 0.36078299362809 0.41375809215134 39.098 > 1 24 K 0.66666666666667 0.36078299362809 0.41375809215134 39.098 > 1 25 K 0.00000000000000 0.36078299362809 0.74709142548467 39.098 > 1 26 K 0.33333333333333 0.36078299362809 0.74709142548467 39.098 > 1 27 K 0.66666666666667 0.36078299362809 0.74709142548467 39.098 > 1 28 K 0.16666666666667 0.13921700637191 0.24709142548467 39.098 > 2 29 K 0.50000000000000 0.13921700637191 0.24709142548467 39.098 > 2 30 K 0.83333333333333 0.13921700637191 0.24709142548467 39.098 > 2 31 K 0.16666666666667 0.13921700637191 0.58042475881800 39.098 > 2 32 K 0.50000000000000 0.13921700637191 0.58042475881800 39.098 > 2 33 K 0.83333333333333 0.13921700637191 0.58042475881800 39.098 > 2 34 K 0.16666666666667 0.13921700637191 0.91375809215134 39.098 > 2 35 K 0.50000000000000 0.13921700637191 0.91375809215134 39.098 > 2 36 K 0.83333333333333 0.13921700637191 0.91375809215134 39.098 > 2 *37 H 0.16666666666667 0.52814121184092 0.02964820956636 1.008 > 3 38 H 0.50000000000000 0.52814121184092 0.02964820956636 1.008 > 3 39 H 0.83333333333333 0.52814121184092 0.02964820956636 1.008 > 3 40 H 0.16666666666667 0.52814121184092 0.36298154289970 1.008 > 3 41 H 0.50000000000000 0.52814121184092 0.36298154289970 1.008 > 3 42 H 0.83333333333333 0.52814121184092 0.36298154289970 1.008 > 3 43 H 0.16666666666667 0.52814121184092 0.69631487623303 1.008 > 3 44 H 0.50000000000000 0.52814121184092 0.69631487623303 1.008 > 3 45 H 0.83333333333333 0.52814121184092 0.69631487623303 1.008 > 3 46 H 0.00000000000000 0.97185878815908 0.19631487623303 1.008 > 4 47 H 0.33333333333333 0.97185878815908 0.19631487623303 1.008 > 4 48 H 0.66666666666667 0.97185878815908 0.19631487623303 1.008 > 4 49 H 0.00000000000000 0.97185878815908 0.52964820956636 1.008 > 4 50 H 0.33333333333333 0.97185878815908 0.52964820956636 1.008 > 4 51 H 0.66666666666667 0.97185878815908 0.52964820956636 1.008 > 4 52 H 0.00000000000000 0.97185878815908 0.86298154289970 1.008 > 4 53 H 0.33333333333333 0.97185878815908 0.86298154289970 1.008 > 4 54 H 0.66666666666667 0.97185878815908 0.86298154289970 1.008 > 4 55 H 0.00000000000000 0.02814121184092 0.02964820956636 1.008 > 3 56 H 0.33333333333333 0.02814121184092 0.02964820956636 1.008 > 3 57 H 0.66666666666667 0.02814121184092 0.02964820956636 1.008 > 3 58 H 0.00000000000000 0.02814121184092 0.36298154289970 1.008 > 3 59 H 0.33333333333333 0.02814121184092 0.36298154289970 1.008 > 3 60 H 0.66666666666667 0.02814121184092 0.36298154289970 1.008 > 3 61 H 0.00000000000000 0.02814121184092 0.69631487623303 1.008 > 3 62 H 0.33333333333333 0.02814121184092 0.69631487623303 1.008 > 3 63 H 0.66666666666667 0.02814121184092 0.69631487623303 1.008 > 3 64 H 0.16666666666667 0.47185878815908 0.19631487623303 1.008 > 4 65 H 0.50000000000000 0.47185878815908 0.19631487623303 1.008 > 4 66 H 0.83333333333333 0.47185878815908 0.19631487623303 1.008 > 4 67 H 0.16666666666667 0.47185878815908 0.52964820956636 1.008 > 4 68 H 0.50000000000000 0.47185878815908 0.52964820956636 1.008 > 4 69 H 0.83333333333333 0.47185878815908 0.52964820956636 1.008 > 4 70 H 0.16666666666667 0.47185878815908 0.86298154289970 1.008 > 4 71 H 0.50000000000000 0.47185878815908 0.86298154289970 1.008 > 4 72 H 0.83333333333333 0.47185878815908 0.86298154289970 1.008 > 4 *73 O 0.16666666666667 0.59793255680814 0.08812203494896 15.999 > 5 74 O 0.50000000000000 0.59793255680814 0.08812203494896 15.999 > 5 75 O 0.83333333333333 0.59793255680814 0.08812203494896 15.999 > 5 76 O 0.16666666666667 0.59793255680814 0.42145536828230 15.999 > 5 77 O 0.50000000000000 0.59793255680814 0.42145536828230 15.999 > 5 78 O 0.83333333333333 0.59793255680814 0.42145536828230 15.999 > 5 79 O 0.16666666666667 0.59793255680814 0.75478870161563 15.999 > 5 80 O 0.50000000000000 0.59793255680814 0.75478870161563 15.999 > 5 81 O 0.83333333333333 0.59793255680814 0.75478870161563 15.999 > 5 82 O 0.00000000000000 0.90206744319186 0.25478870161563 15.999 > 6 83 O 0.33333333333333 0.90206744319186 0.25478870161563 15.999 > 6 84 O 0.66666666666667 0.90206744319186 0.25478870161563 15.999 > 6 85 O 0.00000000000000 0.90206744319186 0.58812203494896 15.999 > 6 86 O 0.33333333333333 0.90206744319186 0.58812203494896 15.999 > 6 87 O 0.66666666666667 0.90206744319186 0.58812203494896 15.999 > 6 88 O 0.00000000000000 0.90206744319186 0.92145536828230 15.999 > 6 89 O 0.33333333333333 0.90206744319186 0.92145536828230 15.999 > 6 90 O 0.66666666666667 0.90206744319186 0.92145536828230 15.999 > 6 91 O 0.00000000000000 0.09793255680814 0.08812203494896 15.999 > 5 92 O 0.33333333333333 0.09793255680814 0.08812203494896 15.999 > 5 93 O 0.66666666666667 0.09793255680814 0.08812203494896 15.999 > 5 94 O 0.00000000000000 0.09793255680814 0.42145536828230 15.999 > 5 95 O 0.33333333333333 0.09793255680814 0.42145536828230 15.999 > 5 96 O 0.66666666666667 0.09793255680814 0.42145536828230 15.999 > 5 97 O 0.00000000000000 0.09793255680814 0.75478870161563 15.999 > 5 98 O 0.33333333333333 0.09793255680814 0.75478870161563 15.999 > 5 99 O 0.66666666666667 0.09793255680814 0.75478870161563 15.999 > 5 100 O 0.16666666666667 0.40206744319186 0.25478870161563 15.999 > 6 101 O 0.50000000000000 0.40206744319186 0.25478870161563 15.999 > 6 102 O 0.83333333333333 0.40206744319186 0.25478870161563 15.999 > 6 103 O 0.16666666666667 0.40206744319186 0.58812203494896 15.999 > 6 104 O 0.50000000000000 0.40206744319186 0.58812203494896 15.999 > 6 105 O 0.83333333333333 0.40206744319186 0.58812203494896 15.999 > 6 106 O 0.16666666666667 0.40206744319186 0.92145536828230 15.999 > 6 107 O 0.50000000000000 0.40206744319186 0.92145536828230 15.999 > 6 108 O 0.83333333333333 0.40206744319186 0.92145536828230 15.999 > 6----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 2.5292165 0.0000000 0.0000000 0.0000000 2.5542362 0.0000000 0.0000000 0.0000000 2.6017633-------------------------- Born effective charges -------------------------- 1 K 1.1617758 0.0000000 0.0000000 0.0000000 1.1492052 -0.0301519 0.0000000 -0.0043582 1.1154608 2 K 1.1617758 0.0000000 0.0000000 0.0000000 1.1492052 0.0301519 0.0000000 0.0043582 1.1154608 3 H 0.1968225 0.0000000 0.0000000 0.0000000 0.5078370 0.3684182 0.0000000 0.4144754 0.6834597 4 H 0.1968225 0.0000000 0.0000000 0.0000000 0.5078370 -0.3684182 0.0000000 -0.4144754 0.6834597 5 O -1.3585983 0.0000000 0.0000000 0.0000000 -1.6570422 -0.0100712 0.0000000 -0.0112187 -1.7989205 6 O -1.3585983 0.0000000 0.0000000 0.0000000 -1.6570422 0.0100712 0.0000000 0.0112187 -1.7989205----------------------------------------------------------------------------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: 3609/3609Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 792Number of blocks in projector: 792Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 216Use standard eigh solver.--- Eigsh_solver_block: 2 / 6 ---Block_size: 120Use standard eigh solver.--- Eigsh_solver_block: 3 / 6 ---Block_size: 120Use standard eigh solver.--- Eigsh_solver_block: 4 / 6 ---Block_size: 120Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 108Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 108Use standard eigh solver.Tree of FC basis block matrices:- (792, 777), data: False|-- (108, 108), data: True|-- (108, 108), data: True|-- (120, 117), data: True|-- (120, 117), data: True|-- (120, 117), data: True|-- (216, 210), data: True-----Solver_atoms: 1 -- 108 / 108Time (Solver_compr_matrix_reshape): 0.002Solver_block: 100 / 240 - Time: 0.707Solver_block: 200 / 240 - Time: 0.733Solver_block: 240 / 240 - Time: 0.363Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.816--------------------------------- Symfc end --------------------------------Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 324/324Permutation basis: 3609/3609Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 792Number of blocks in projector: 792Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 216Use standard eigh solver.--- Eigsh_solver_block: 2 / 6 ---Block_size: 120Use standard eigh solver.--- Eigsh_solver_block: 3 / 6 ---Block_size: 120Use standard eigh solver.--- Eigsh_solver_block: 4 / 6 ---Block_size: 120Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 108Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 108Use standard eigh solver.Tree of FC basis block matrices:- (792, 777), data: False|-- (108, 108), data: True|-- (108, 108), data: True|-- (120, 117), data: True|-- (120, 117), data: True|-- (120, 117), data: True|-- (216, 210), data: TrueMax drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-08 20:39:00]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 20:39:01]-------------------------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 1 3]Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.]Spacegroup: Cmc2_1 (36)------------------------------ primitive cell ------------------------------Lattice vectors: a 1.982439585000000 -5.143280370000000 0.000000000000000 b 1.982439585000000 5.143280370000000 0.000000000000000 c 0.000000000000000 0.000000000000000 3.970971660000000Atomic positions (fractional): 1 K 0.63921700637191 0.36078299362809 0.24127427645402 39.098 2 K 0.36078299362809 0.63921700637191 0.74127427645402 39.098 3 H 0.97185878815908 0.02814121184092 0.08894462869909 1.008 4 H 0.02814121184092 0.97185878815908 0.58894462869909 1.008 5 O 0.90206744319186 0.09793255680814 0.26436610484689 15.999 6 O 0.09793255680814 0.90206744319186 0.76436610484689 15.999-------------------------------- supercell ---------------------------------Lattice vectors: a 11.894637510000001 0.000000000000000 0.000000000000000 b 0.000000000000000 10.286560740000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.912914980000000Atomic positions (fractional): 1 K 0.16666666666667 0.86078299362809 0.08042475881800 39.098 > 1 2 K 0.50000000000000 0.86078299362809 0.08042475881800 39.098 > 1 3 K 0.83333333333333 0.86078299362809 0.08042475881800 39.098 > 1 4 K 0.16666666666667 0.86078299362809 0.41375809215134 39.098 > 1 5 K 0.50000000000000 0.86078299362809 0.41375809215134 39.098 > 1 6 K 0.83333333333333 0.86078299362809 0.41375809215134 39.098 > 1 7 K 0.16666666666667 0.86078299362809 0.74709142548467 39.098 > 1 8 K 0.50000000000000 0.86078299362809 0.74709142548467 39.098 > 1 9 K 0.83333333333333 0.86078299362809 0.74709142548467 39.098 > 1 10 K 0.00000000000000 0.63921700637191 0.24709142548467 39.098 > 10 11 K 0.33333333333333 0.63921700637191 0.24709142548467 39.098 > 10 12 K 0.66666666666667 0.63921700637191 0.24709142548467 39.098 > 10 13 K 0.00000000000000 0.63921700637191 0.58042475881800 39.098 > 10 14 K 0.33333333333333 0.63921700637191 0.58042475881800 39.098 > 10 15 K 0.66666666666667 0.63921700637191 0.58042475881800 39.098 > 10 16 K 0.00000000000000 0.63921700637191 0.91375809215134 39.098 > 10 17 K 0.33333333333333 0.63921700637191 0.91375809215134 39.098 > 10 18 K 0.66666666666667 0.63921700637191 0.91375809215134 39.098 > 10 19 K 0.00000000000000 0.36078299362809 0.08042475881800 39.098 > 1 20 K 0.33333333333333 0.36078299362809 0.08042475881800 39.098 > 1 21 K 0.66666666666667 0.36078299362809 0.08042475881800 39.098 > 1 22 K 0.00000000000000 0.36078299362809 0.41375809215134 39.098 > 1 23 K 0.33333333333333 0.36078299362809 0.41375809215134 39.098 > 1 24 K 0.66666666666667 0.36078299362809 0.41375809215134 39.098 > 1 25 K 0.00000000000000 0.36078299362809 0.74709142548467 39.098 > 1 26 K 0.33333333333333 0.36078299362809 0.74709142548467 39.098 > 1 27 K 0.66666666666667 0.36078299362809 0.74709142548467 39.098 > 1 28 K 0.16666666666667 0.13921700637191 0.24709142548467 39.098 > 10 29 K 0.50000000000000 0.13921700637191 0.24709142548467 39.098 > 10 30 K 0.83333333333333 0.13921700637191 0.24709142548467 39.098 > 10 31 K 0.16666666666667 0.13921700637191 0.58042475881800 39.098 > 10 32 K 0.50000000000000 0.13921700637191 0.58042475881800 39.098 > 10 33 K 0.83333333333333 0.13921700637191 0.58042475881800 39.098 > 10 34 K 0.16666666666667 0.13921700637191 0.91375809215134 39.098 > 10 35 K 0.50000000000000 0.13921700637191 0.91375809215134 39.098 > 10 36 K 0.83333333333333 0.13921700637191 0.91375809215134 39.098 > 10 37 H 0.16666666666667 0.52814121184092 0.02964820956636 1.008 > 37 38 H 0.50000000000000 0.52814121184092 0.02964820956636 1.008 > 37 39 H 0.83333333333333 0.52814121184092 0.02964820956636 1.008 > 37 40 H 0.16666666666667 0.52814121184092 0.36298154289970 1.008 > 37 41 H 0.50000000000000 0.52814121184092 0.36298154289970 1.008 > 37 42 H 0.83333333333333 0.52814121184092 0.36298154289970 1.008 > 37 43 H 0.16666666666667 0.52814121184092 0.69631487623303 1.008 > 37 44 H 0.50000000000000 0.52814121184092 0.69631487623303 1.008 > 37 45 H 0.83333333333333 0.52814121184092 0.69631487623303 1.008 > 37 46 H 0.00000000000000 0.97185878815908 0.19631487623303 1.008 > 46 47 H 0.33333333333333 0.97185878815908 0.19631487623303 1.008 > 46 48 H 0.66666666666667 0.97185878815908 0.19631487623303 1.008 > 46 49 H 0.00000000000000 0.97185878815908 0.52964820956636 1.008 > 46 50 H 0.33333333333333 0.97185878815908 0.52964820956636 1.008 > 46 51 H 0.66666666666667 0.97185878815908 0.52964820956636 1.008 > 46 52 H 0.00000000000000 0.97185878815908 0.86298154289970 1.008 > 46 53 H 0.33333333333333 0.97185878815908 0.86298154289970 1.008 > 46 54 H 0.66666666666667 0.97185878815908 0.86298154289970 1.008 > 46 55 H 0.00000000000000 0.02814121184092 0.02964820956636 1.008 > 37 56 H 0.33333333333333 0.02814121184092 0.02964820956636 1.008 > 37 57 H 0.66666666666667 0.02814121184092 0.02964820956636 1.008 > 37 58 H 0.00000000000000 0.02814121184092 0.36298154289970 1.008 > 37 59 H 0.33333333333333 0.02814121184092 0.36298154289970 1.008 > 37 60 H 0.66666666666667 0.02814121184092 0.36298154289970 1.008 > 37 61 H 0.00000000000000 0.02814121184092 0.69631487623303 1.008 > 37 62 H 0.33333333333333 0.02814121184092 0.69631487623303 1.008 > 37 63 H 0.66666666666667 0.02814121184092 0.69631487623303 1.008 > 37 64 H 0.16666666666667 0.47185878815908 0.19631487623303 1.008 > 46 65 H 0.50000000000000 0.47185878815908 0.19631487623303 1.008 > 46 66 H 0.83333333333333 0.47185878815908 0.19631487623303 1.008 > 46 67 H 0.16666666666667 0.47185878815908 0.52964820956636 1.008 > 46 68 H 0.50000000000000 0.47185878815908 0.52964820956636 1.008 > 46 69 H 0.83333333333333 0.47185878815908 0.52964820956636 1.008 > 46 70 H 0.16666666666667 0.47185878815908 0.86298154289970 1.008 > 46 71 H 0.50000000000000 0.47185878815908 0.86298154289970 1.008 > 46 72 H 0.83333333333333 0.47185878815908 0.86298154289970 1.008 > 46 73 O 0.16666666666667 0.59793255680814 0.08812203494896 15.999 > 73 74 O 0.50000000000000 0.59793255680814 0.08812203494896 15.999 > 73 75 O 0.83333333333333 0.59793255680814 0.08812203494896 15.999 > 73 76 O 0.16666666666667 0.59793255680814 0.42145536828230 15.999 > 73 77 O 0.50000000000000 0.59793255680814 0.42145536828230 15.999 > 73 78 O 0.83333333333333 0.59793255680814 0.42145536828230 15.999 > 73 79 O 0.16666666666667 0.59793255680814 0.75478870161563 15.999 > 73 80 O 0.50000000000000 0.59793255680814 0.75478870161563 15.999 > 73 81 O 0.83333333333333 0.59793255680814 0.75478870161563 15.999 > 73 82 O 0.00000000000000 0.90206744319186 0.25478870161563 15.999 > 82 83 O 0.33333333333333 0.90206744319186 0.25478870161563 15.999 > 82 84 O 0.66666666666667 0.90206744319186 0.25478870161563 15.999 > 82 85 O 0.00000000000000 0.90206744319186 0.58812203494896 15.999 > 82 86 O 0.33333333333333 0.90206744319186 0.58812203494896 15.999 > 82 87 O 0.66666666666667 0.90206744319186 0.58812203494896 15.999 > 82 88 O 0.00000000000000 0.90206744319186 0.92145536828230 15.999 > 82 89 O 0.33333333333333 0.90206744319186 0.92145536828230 15.999 > 82 90 O 0.66666666666667 0.90206744319186 0.92145536828230 15.999 > 82 91 O 0.00000000000000 0.09793255680814 0.08812203494896 15.999 > 73 92 O 0.33333333333333 0.09793255680814 0.08812203494896 15.999 > 73 93 O 0.66666666666667 0.09793255680814 0.08812203494896 15.999 > 73 94 O 0.00000000000000 0.09793255680814 0.42145536828230 15.999 > 73 95 O 0.33333333333333 0.09793255680814 0.42145536828230 15.999 > 73 96 O 0.66666666666667 0.09793255680814 0.42145536828230 15.999 > 73 97 O 0.00000000000000 0.09793255680814 0.75478870161563 15.999 > 73 98 O 0.33333333333333 0.09793255680814 0.75478870161563 15.999 > 73 99 O 0.66666666666667 0.09793255680814 0.75478870161563 15.999 > 73 100 O 0.16666666666667 0.40206744319186 0.25478870161563 15.999 > 82 101 O 0.50000000000000 0.40206744319186 0.25478870161563 15.999 > 82 102 O 0.83333333333333 0.40206744319186 0.25478870161563 15.999 > 82 103 O 0.16666666666667 0.40206744319186 0.58812203494896 15.999 > 82 104 O 0.50000000000000 0.40206744319186 0.58812203494896 15.999 > 82 105 O 0.83333333333333 0.40206744319186 0.58812203494896 15.999 > 82 106 O 0.16666666666667 0.40206744319186 0.92145536828230 15.999 > 82 107 O 0.50000000000000 0.40206744319186 0.92145536828230 15.999 > 82 108 O 0.83333333333333 0.40206744319186 0.92145536828230 15.999 > 82----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 2.5292165 0.0000000 0.0000000 0.0000000 2.5542362 0.0000000 0.0000000 0.0000000 2.6017633-------------------------- Born effective charges -------------------------- 1 K 1.1617758 0.0000000 0.0000000 0.0000000 1.1492052 -0.0301519 0.0000000 -0.0043582 1.1154608 2 K 1.1617758 0.0000000 0.0000000 0.0000000 1.1492052 0.0301519 0.0000000 0.0043582 1.1154608 3 H 0.1968225 0.0000000 0.0000000 0.0000000 0.5078370 0.3684182 0.0000000 0.4144754 0.6834597 4 H 0.1968225 0.0000000 0.0000000 0.0000000 0.5078370 -0.3684182 0.0000000 -0.4144754 0.6834597 5 O -1.3585983 0.0000000 0.0000000 0.0000000 -1.6570422 -0.0100712 0.0000000 -0.0112187 -1.7989205 6 O -1.3585983 0.0000000 0.0000000 0.0000000 -1.6570422 0.0100712 0.0000000 0.0112187 -1.7989205----------------------------------------------------------------------------Sets of supercell forces were read from "FORCES_FC3.xz".Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".----------------------------- Force constants ------------------------------Computing fc3[ 1, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 37, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 73, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Expanding fc3.Symmetrizing fc3 by traditional approach (N=3).Symmetrizing fc2 by traditional approach (N=3).Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz)fc3 was written into "fc3.hdf5".Max drift of fc2: 0.00000000 (yz) 0.00000000 (yz) 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 2026-01-08 20:39:10]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 20:39:10]-------------------------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 1 3]Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.]Spacegroup: Cmc2_1 (36)------------------------------ primitive cell ------------------------------Lattice vectors: a 1.982439585000000 -5.143280370000000 0.000000000000000 b 1.982439585000000 5.143280370000000 0.000000000000000 c 0.000000000000000 0.000000000000000 3.970971660000000Atomic positions (fractional): 1 K 0.63921700637191 0.36078299362809 0.24127427645402 39.098 2 K 0.36078299362809 0.63921700637191 0.74127427645402 39.098 3 H 0.97185878815908 0.02814121184092 0.08894462869909 1.008 4 H 0.02814121184092 0.97185878815908 0.58894462869909 1.008 5 O 0.90206744319186 0.09793255680814 0.26436610484689 15.999 6 O 0.09793255680814 0.90206744319186 0.76436610484689 15.999-------------------------------- supercell ---------------------------------Lattice vectors: a 11.894637510000001 0.000000000000000 0.000000000000000 b 0.000000000000000 10.286560740000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.912914980000000Atomic positions (fractional): 1 K 0.16666666666667 0.86078299362809 0.08042475881800 39.098 > 1 2 K 0.50000000000000 0.86078299362809 0.08042475881800 39.098 > 1 3 K 0.83333333333333 0.86078299362809 0.08042475881800 39.098 > 1 4 K 0.16666666666667 0.86078299362809 0.41375809215134 39.098 > 1 5 K 0.50000000000000 0.86078299362809 0.41375809215134 39.098 > 1 6 K 0.83333333333333 0.86078299362809 0.41375809215134 39.098 > 1 7 K 0.16666666666667 0.86078299362809 0.74709142548467 39.098 > 1 8 K 0.50000000000000 0.86078299362809 0.74709142548467 39.098 > 1 9 K 0.83333333333333 0.86078299362809 0.74709142548467 39.098 > 1 10 K 0.00000000000000 0.63921700637191 0.24709142548467 39.098 > 10 11 K 0.33333333333333 0.63921700637191 0.24709142548467 39.098 > 10 12 K 0.66666666666667 0.63921700637191 0.24709142548467 39.098 > 10 13 K 0.00000000000000 0.63921700637191 0.58042475881800 39.098 > 10 14 K 0.33333333333333 0.63921700637191 0.58042475881800 39.098 > 10 15 K 0.66666666666667 0.63921700637191 0.58042475881800 39.098 > 10 16 K 0.00000000000000 0.63921700637191 0.91375809215134 39.098 > 10 17 K 0.33333333333333 0.63921700637191 0.91375809215134 39.098 > 10 18 K 0.66666666666667 0.63921700637191 0.91375809215134 39.098 > 10 19 K 0.00000000000000 0.36078299362809 0.08042475881800 39.098 > 1 20 K 0.33333333333333 0.36078299362809 0.08042475881800 39.098 > 1 21 K 0.66666666666667 0.36078299362809 0.08042475881800 39.098 > 1 22 K 0.00000000000000 0.36078299362809 0.41375809215134 39.098 > 1 23 K 0.33333333333333 0.36078299362809 0.41375809215134 39.098 > 1 24 K 0.66666666666667 0.36078299362809 0.41375809215134 39.098 > 1 25 K 0.00000000000000 0.36078299362809 0.74709142548467 39.098 > 1 26 K 0.33333333333333 0.36078299362809 0.74709142548467 39.098 > 1 27 K 0.66666666666667 0.36078299362809 0.74709142548467 39.098 > 1 28 K 0.16666666666667 0.13921700637191 0.24709142548467 39.098 > 10 29 K 0.50000000000000 0.13921700637191 0.24709142548467 39.098 > 10 30 K 0.83333333333333 0.13921700637191 0.24709142548467 39.098 > 10 31 K 0.16666666666667 0.13921700637191 0.58042475881800 39.098 > 10 32 K 0.50000000000000 0.13921700637191 0.58042475881800 39.098 > 10 33 K 0.83333333333333 0.13921700637191 0.58042475881800 39.098 > 10 34 K 0.16666666666667 0.13921700637191 0.91375809215134 39.098 > 10 35 K 0.50000000000000 0.13921700637191 0.91375809215134 39.098 > 10 36 K 0.83333333333333 0.13921700637191 0.91375809215134 39.098 > 10 37 H 0.16666666666667 0.52814121184092 0.02964820956636 1.008 > 37 38 H 0.50000000000000 0.52814121184092 0.02964820956636 1.008 > 37 39 H 0.83333333333333 0.52814121184092 0.02964820956636 1.008 > 37 40 H 0.16666666666667 0.52814121184092 0.36298154289970 1.008 > 37 41 H 0.50000000000000 0.52814121184092 0.36298154289970 1.008 > 37 42 H 0.83333333333333 0.52814121184092 0.36298154289970 1.008 > 37 43 H 0.16666666666667 0.52814121184092 0.69631487623303 1.008 > 37 44 H 0.50000000000000 0.52814121184092 0.69631487623303 1.008 > 37 45 H 0.83333333333333 0.52814121184092 0.69631487623303 1.008 > 37 46 H 0.00000000000000 0.97185878815908 0.19631487623303 1.008 > 46 47 H 0.33333333333333 0.97185878815908 0.19631487623303 1.008 > 46 48 H 0.66666666666667 0.97185878815908 0.19631487623303 1.008 > 46 49 H 0.00000000000000 0.97185878815908 0.52964820956636 1.008 > 46 50 H 0.33333333333333 0.97185878815908 0.52964820956636 1.008 > 46 51 H 0.66666666666667 0.97185878815908 0.52964820956636 1.008 > 46 52 H 0.00000000000000 0.97185878815908 0.86298154289970 1.008 > 46 53 H 0.33333333333333 0.97185878815908 0.86298154289970 1.008 > 46 54 H 0.66666666666667 0.97185878815908 0.86298154289970 1.008 > 46 55 H 0.00000000000000 0.02814121184092 0.02964820956636 1.008 > 37 56 H 0.33333333333333 0.02814121184092 0.02964820956636 1.008 > 37 57 H 0.66666666666667 0.02814121184092 0.02964820956636 1.008 > 37 58 H 0.00000000000000 0.02814121184092 0.36298154289970 1.008 > 37 59 H 0.33333333333333 0.02814121184092 0.36298154289970 1.008 > 37 60 H 0.66666666666667 0.02814121184092 0.36298154289970 1.008 > 37 61 H 0.00000000000000 0.02814121184092 0.69631487623303 1.008 > 37 62 H 0.33333333333333 0.02814121184092 0.69631487623303 1.008 > 37 63 H 0.66666666666667 0.02814121184092 0.69631487623303 1.008 > 37 64 H 0.16666666666667 0.47185878815908 0.19631487623303 1.008 > 46 65 H 0.50000000000000 0.47185878815908 0.19631487623303 1.008 > 46 66 H 0.83333333333333 0.47185878815908 0.19631487623303 1.008 > 46 67 H 0.16666666666667 0.47185878815908 0.52964820956636 1.008 > 46 68 H 0.50000000000000 0.47185878815908 0.52964820956636 1.008 > 46 69 H 0.83333333333333 0.47185878815908 0.52964820956636 1.008 > 46 70 H 0.16666666666667 0.47185878815908 0.86298154289970 1.008 > 46 71 H 0.50000000000000 0.47185878815908 0.86298154289970 1.008 > 46 72 H 0.83333333333333 0.47185878815908 0.86298154289970 1.008 > 46 73 O 0.16666666666667 0.59793255680814 0.08812203494896 15.999 > 73 74 O 0.50000000000000 0.59793255680814 0.08812203494896 15.999 > 73 75 O 0.83333333333333 0.59793255680814 0.08812203494896 15.999 > 73 76 O 0.16666666666667 0.59793255680814 0.42145536828230 15.999 > 73 77 O 0.50000000000000 0.59793255680814 0.42145536828230 15.999 > 73 78 O 0.83333333333333 0.59793255680814 0.42145536828230 15.999 > 73 79 O 0.16666666666667 0.59793255680814 0.75478870161563 15.999 > 73 80 O 0.50000000000000 0.59793255680814 0.75478870161563 15.999 > 73 81 O 0.83333333333333 0.59793255680814 0.75478870161563 15.999 > 73 82 O 0.00000000000000 0.90206744319186 0.25478870161563 15.999 > 82 83 O 0.33333333333333 0.90206744319186 0.25478870161563 15.999 > 82 84 O 0.66666666666667 0.90206744319186 0.25478870161563 15.999 > 82 85 O 0.00000000000000 0.90206744319186 0.58812203494896 15.999 > 82 86 O 0.33333333333333 0.90206744319186 0.58812203494896 15.999 > 82 87 O 0.66666666666667 0.90206744319186 0.58812203494896 15.999 > 82 88 O 0.00000000000000 0.90206744319186 0.92145536828230 15.999 > 82 89 O 0.33333333333333 0.90206744319186 0.92145536828230 15.999 > 82 90 O 0.66666666666667 0.90206744319186 0.92145536828230 15.999 > 82 91 O 0.00000000000000 0.09793255680814 0.08812203494896 15.999 > 73 92 O 0.33333333333333 0.09793255680814 0.08812203494896 15.999 > 73 93 O 0.66666666666667 0.09793255680814 0.08812203494896 15.999 > 73 94 O 0.00000000000000 0.09793255680814 0.42145536828230 15.999 > 73 95 O 0.33333333333333 0.09793255680814 0.42145536828230 15.999 > 73 96 O 0.66666666666667 0.09793255680814 0.42145536828230 15.999 > 73 97 O 0.00000000000000 0.09793255680814 0.75478870161563 15.999 > 73 98 O 0.33333333333333 0.09793255680814 0.75478870161563 15.999 > 73 99 O 0.66666666666667 0.09793255680814 0.75478870161563 15.999 > 73 100 O 0.16666666666667 0.40206744319186 0.25478870161563 15.999 > 82 101 O 0.50000000000000 0.40206744319186 0.25478870161563 15.999 > 82 102 O 0.83333333333333 0.40206744319186 0.25478870161563 15.999 > 82 103 O 0.16666666666667 0.40206744319186 0.58812203494896 15.999 > 82 104 O 0.50000000000000 0.40206744319186 0.58812203494896 15.999 > 82 105 O 0.83333333333333 0.40206744319186 0.58812203494896 15.999 > 82 106 O 0.16666666666667 0.40206744319186 0.92145536828230 15.999 > 82 107 O 0.50000000000000 0.40206744319186 0.92145536828230 15.999 > 82 108 O 0.83333333333333 0.40206744319186 0.92145536828230 15.999 > 82----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 2.5292165 0.0000000 0.0000000 0.0000000 2.5542362 0.0000000 0.0000000 0.0000000 2.6017633-------------------------- Born effective charges -------------------------- 1 K 1.1617758 0.0000000 0.0000000 0.0000000 1.1492052 -0.0301519 0.0000000 -0.0043582 1.1154608 2 K 1.1617758 0.0000000 0.0000000 0.0000000 1.1492052 0.0301519 0.0000000 0.0043582 1.1154608 3 H 0.1968225 0.0000000 0.0000000 0.0000000 0.5078370 0.3684182 0.0000000 0.4144754 0.6834597 4 H 0.1968225 0.0000000 0.0000000 0.0000000 0.5078370 -0.3684182 0.0000000 -0.4144754 0.6834597 5 O -1.3585983 0.0000000 0.0000000 0.0000000 -1.6570422 -0.0100712 0.0000000 -0.0112187 -1.7989205 6 O -1.3585983 0.0000000 0.0000000 0.0000000 -1.6570422 0.0100712 0.0000000 0.0112187 -1.7989205----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz)Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- 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 ... [ 14 14 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: 0.96, Number of G-points: 313, Lambda: 0.16Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/399) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 399Calculating 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 2.355 ( 0.000 0.000 -0.000) 0.000 3.754 ( 0.000 0.000 0.000) 0.000 4.559 ( 0.000 0.000 0.000) 0.000 4.811 ( 0.000 0.000 0.000) 0.000 4.982 ( 0.000 0.000 -0.000) 0.000 5.267 ( 0.000 0.000 0.000) 0.000 5.281 ( 0.000 0.000 0.000) 0.000 7.364 ( 0.000 0.000 -0.000) 0.000 8.312 ( 0.000 0.000 0.000) 0.000 24.657 ( 0.000 0.000 0.000) 0.000 27.359 ( 0.000 0.000 -0.000) 0.000 29.635 ( 0.000 0.000 -0.000) 0.000 35.028 ( 0.000 0.000 0.000) 0.000 94.148 ( 0.000 0.000 -0.000) 0.000 97.352 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/399) =======================q-point: ( 0.07 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 686Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.403 ( 9.927 -35.167 0.000) 36.542 0.591 ( 28.510 -10.391 0.000) 30.344 0.934 ( 49.819 -3.812 0.000) 49.964 2.560 ( 21.169 0.344 0.000) 21.172 3.735 ( -1.363 1.595 0.000) 2.098 4.581 ( 2.513 -0.155 0.000) 2.518 4.793 ( -1.430 2.092 0.000) 2.534 4.910 ( -3.310 8.416 0.000) 9.043 5.309 ( 0.015 -9.311 0.000) 9.311 7.355 ( -1.002 -0.159 0.000) 1.014 8.271 ( 4.076 10.262 0.000) 11.042 9.141 ( -6.138 -4.312 0.000) 7.502 24.658 ( -0.006 -0.322 0.000) 0.322 27.365 ( 0.559 -0.112 0.000) 0.570 30.013 ( 6.551 14.072 0.000) 15.522 35.018 ( -3.846 -2.931 0.000) 4.836 94.146 ( -0.146 0.039 0.000) 0.151 97.465 ( -14.286 -32.263 0.000) 35.285======================= Grid point 2 (3/399) =======================q-point: ( 0.14 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 700Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.848 ( 13.631 -31.385 0.000) 34.217 1.165 ( 27.247 -9.888 0.000) 28.985 1.836 ( 47.498 -2.439 0.000) 47.561 3.026 ( 28.101 -0.135 0.000) 28.101 3.686 ( -2.256 2.816 0.000) 3.608 4.619 ( 0.639 10.921 0.000) 10.940 4.734 ( 0.837 0.144 0.000) 0.850 4.814 ( -2.748 0.866 0.000) 2.881 5.374 ( -0.501 -9.829 0.000) 9.842 7.333 ( -1.417 -0.127 0.000) 1.423 8.272 ( 1.909 5.462 0.000) 5.786 9.024 ( -8.572 -0.522 0.000) 8.588 24.660 ( -0.074 -0.533 0.000) 0.538 27.381 ( 1.057 -0.246 0.000) 1.085 30.044 ( 4.790 6.562 0.000) 8.124 34.948 ( -5.180 -0.391 0.000) 5.195 94.143 ( -0.224 0.040 0.000) 0.227 97.418 ( -9.333 -15.842 0.000) 18.387======================= Grid point 3 (4/399) =======================q-point: ( 0.21 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 686Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.321 ( 16.037 -27.386 0.000) 31.737 1.704 ( 25.116 -9.050 0.000) 26.697 2.657 ( 42.182 0.998 0.000) 42.194 3.495 ( 20.856 -2.518 0.000) 21.007 3.623 ( -1.523 3.258 0.000) 3.597 4.425 ( -7.420 17.377 0.000) 18.895 4.748 ( -2.964 -0.497 0.000) 3.005 4.935 ( 14.735 -5.958 0.000) 15.894 5.426 ( -0.799 -8.519 0.000) 8.556 7.310 ( -0.886 0.318 0.000) 0.942 8.257 ( 0.141 4.753 0.000) 4.755 8.847 ( -10.858 0.116 0.000) 10.859 24.662 ( -0.204 -0.581 0.000) 0.615 27.405 ( 1.405 -0.383 0.000) 1.456 30.094 ( 4.635 3.639 0.000) 5.893 34.842 ( -6.225 0.754 0.000) 6.271 94.138 ( -0.208 -0.004 0.000) 0.208 97.353 ( -7.743 -10.155 0.000) 12.770======================= Grid point 4 (5/399) =======================q-point: ( 0.29 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 700Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.798 ( 17.088 -23.233 0.000) 28.841 2.190 ( 22.039 -7.857 0.000) 23.398 3.285 ( 28.501 7.399 0.000) 29.445 3.540 ( -2.622 3.359 0.000) 4.261 3.872 ( 16.071 -8.488 0.000) 18.174 4.148 ( -9.858 16.789 0.000) 19.469 4.698 ( -2.587 -0.703 0.000) 2.680 5.329 ( 22.375 -5.964 0.000) 23.157 5.469 ( 0.141 -7.607 0.000) 7.609 7.301 ( 0.628 1.432 0.000) 1.564 8.194 ( -3.833 5.895 0.000) 7.032 8.650 ( -10.742 -1.347 0.000) 10.826 24.661 ( -0.326 -0.489 0.000) 0.588 27.435 ( 1.501 -0.467 0.000) 1.572 30.157 ( 4.417 1.882 0.000) 4.801 34.720 ( -6.295 1.284 0.000) 6.425 94.136 ( -0.127 -0.065 0.000) 0.143 97.285 ( -6.296 -6.967 0.000) 9.391======================= Grid point 5 (6/399) =======================q-point: ( 0.36 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 686Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.251 ( 16.770 -19.088 0.000) 25.408 2.600 ( 17.765 -6.282 0.000) 18.843 3.462 ( -2.639 3.043 0.000) 4.028 3.563 ( 9.077 8.353 0.000) 12.336 3.847 ( -10.613 14.465 0.000) 17.940 4.208 ( 12.071 -6.467 0.000) 13.694 4.700 ( 3.431 -2.169 0.000) 4.059 5.486 ( -0.171 -4.309 0.000) 4.312 5.826 ( 23.520 -8.065 0.000) 24.864 7.316 ( 2.919 3.461 0.000) 4.527 8.017 ( -11.072 6.034 0.000) 12.610 8.505 ( -6.630 -2.543 0.000) 7.101 24.657 ( -0.349 -0.327 0.000) 0.478 27.464 ( 1.273 -0.435 0.000) 1.345 30.221 ( 3.596 0.790 0.000) 3.682 34.606 ( -5.156 1.271 0.000) 5.311 94.135 ( -0.042 -0.098 0.000) 0.106 97.227 ( -4.486 -4.533 0.000) 6.377======================= Grid point 6 (7/399) =======================q-point: ( 0.43 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 700Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.657 ( 14.701 -14.867 0.000) 20.908 2.903 ( 11.356 -4.072 0.000) 12.064 3.389 ( -3.237 2.193 0.000) 3.910 3.484 ( -9.475 12.382 0.000) 15.591 3.678 ( 0.668 4.577 0.000) 4.625 4.330 ( 0.642 -1.119 0.000) 1.290 4.855 ( 8.644 -2.887 0.000) 9.113 5.505 ( -0.335 -2.411 0.000) 2.434 6.259 ( 17.088 -7.183 0.000) 18.536 7.361 ( 6.056 5.998 0.000) 8.524 7.741 ( -15.105 2.174 0.000) 15.261 8.437 ( -2.910 -1.560 0.000) 3.302 24.654 ( -0.227 -0.157 0.000) 0.276 27.485 ( 0.733 -0.264 0.000) 0.779 30.270 ( 2.043 0.232 0.000) 2.056 34.524 ( -2.911 0.781 0.000) 3.013 94.135 ( -0.000 -0.072 0.000) 0.072 97.189 ( -2.334 -2.268 0.000) 3.254======================= Grid point 7 (8/399) =======================q-point: (-0.50 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 350Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.907 ( 0.000 -0.000 0.000) 0.000 3.023 ( 0.000 -0.000 0.000) 0.000 3.287 ( 0.000 -0.000 0.000) 0.000 3.345 ( 0.000 -0.000 0.000) 0.000 3.675 ( 0.000 -0.000 0.000) 0.000 4.330 ( 0.000 -0.000 0.000) 0.000 4.953 ( 0.000 -0.000 0.000) 0.000 5.510 ( 0.000 -0.000 0.000) 0.000 6.459 ( 0.000 -0.000 0.000) 0.000 7.448 ( 0.000 0.000 0.000) 0.000 7.524 ( -0.000 -0.000 0.000) 0.000 8.416 ( 0.000 -0.000 0.000) 0.000 24.652 ( 0.000 -0.000 0.000) 0.000 27.492 ( 0.000 -0.000 0.000) 0.000 30.288 ( 0.000 -0.000 0.000) 0.000 34.495 ( 0.000 -0.000 0.000) 0.000 94.135 ( 0.000 -0.000 0.000) 0.000 97.175 ( 0.000 -0.000 0.000) 0.000======================= Grid point 16 (9/399) =======================q-point: ( 0.07 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.584 ( 20.589 -0.000 0.000) 20.589 1.094 ( 29.328 -0.000 0.000) 29.328 1.820 ( 48.780 -0.000 0.000) 48.780 3.025 ( 27.720 -0.000 0.000) 27.720 3.706 ( -2.429 0.000 0.000) 2.429 4.660 ( 6.988 -0.000 0.000) 6.988 4.766 ( -2.748 0.000 0.000) 2.748 4.861 ( -6.357 0.000 0.000) 6.357 5.269 ( 0.228 -0.000 0.000) 0.228 7.326 ( -1.673 0.000 0.000) 1.673 8.320 ( 0.388 -0.000 0.000) 0.388 9.018 ( -7.701 0.000 0.000) 7.701 24.657 ( -0.028 0.000 0.000) 0.028 27.379 ( 1.044 -0.000 0.000) 1.044 30.097 ( 1.959 -0.000 0.000) 1.959 34.943 ( -4.487 0.000 0.000) 4.487 94.143 ( -0.232 0.000 0.000) 0.232 97.291 ( -3.075 0.000 0.000) 3.075======================= Grid point 17 (10/399) =======================q-point: ( 0.14 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 686Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.026 ( 22.032 -12.596 0.000) 25.378 1.617 ( 27.087 -3.255 0.000) 27.282 2.667 ( 44.781 0.386 0.000) 44.783 3.471 ( 19.482 -0.829 0.000) 19.500 3.654 ( -2.504 1.124 0.000) 2.745 4.636 ( -8.455 10.309 0.000) 13.333 4.748 ( -3.407 0.687 0.000) 3.476 4.872 ( 15.239 -3.019 0.000) 15.535 5.302 ( 0.039 -6.996 0.000) 6.996 7.302 ( -1.201 -0.753 0.000) 1.417 8.317 ( 0.344 2.765 0.000) 2.786 8.846 ( -11.304 -0.136 0.000) 11.305 24.656 ( -0.101 -0.207 0.000) 0.230 27.402 ( 1.393 -0.142 0.000) 1.401 30.133 ( 2.926 1.651 0.000) 3.359 34.848 ( -5.908 0.166 0.000) 5.910 94.139 ( -0.231 0.017 0.000) 0.232 97.246 ( -4.106 -4.420 0.000) 6.033======================= Grid point 18 (11/399) =======================q-point: ( 0.21 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 686Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.523 ( 21.994 -15.060 0.000) 26.656 2.105 ( 23.866 -4.238 0.000) 24.240 3.381 ( 33.776 5.970 0.000) 34.299 3.574 ( -2.962 1.461 0.000) 3.303 3.768 ( 11.236 -6.083 0.000) 12.776 4.368 ( -11.183 13.668 0.000) 17.660 4.692 ( -2.656 -0.234 0.000) 2.666 5.257 ( 23.357 -3.933 0.000) 23.686 5.356 ( 0.192 -7.903 0.000) 7.906 7.299 ( 0.329 -0.959 0.000) 1.014 8.284 ( -1.456 5.990 0.000) 6.164 8.626 ( -13.071 -1.883 0.000) 13.206 24.656 ( -0.194 -0.275 0.000) 0.337 27.430 ( 1.525 -0.270 0.000) 1.549 30.180 ( 3.373 1.299 0.000) 3.615 34.733 ( -6.284 0.636 0.000) 6.316 94.135 ( -0.147 -0.013 0.000) 0.147 97.203 ( -3.937 -4.442 0.000) 5.936======================= Grid point 19 (12/399) =======================q-point: ( 0.29 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 686Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.013 ( 20.751 -14.446 0.000) 25.284 2.527 ( 19.556 -4.075 0.000) 19.976 3.496 ( -3.617 1.817 0.000) 4.048 3.674 ( 6.632 7.412 0.000) 9.946 4.022 ( -7.076 7.034 0.000) 9.978 4.146 ( 12.134 0.624 0.000) 12.150 4.681 ( 2.641 -0.783 0.000) 2.754 5.404 ( 0.029 -6.912 0.000) 6.912 5.730 ( 23.711 -5.559 0.000) 24.354 7.330 ( 2.601 -0.527 0.000) 2.654 8.132 ( -10.254 9.587 0.000) 14.037 8.456 ( -7.190 -4.559 0.000) 8.513 24.653 ( -0.223 -0.242 0.000) 0.329 27.458 ( 1.364 -0.318 0.000) 1.400 30.232 ( 3.026 0.703 0.000) 3.107 34.621 ( -5.431 0.835 0.000) 5.495 94.134 ( -0.035 -0.048 0.000) 0.059 97.170 ( -2.655 -3.466 0.000) 4.366======================= Grid point 20 (13/399) =======================q-point: ( 0.36 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 686Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.460 ( 18.108 -12.782 0.000) 22.165 2.854 ( 13.486 -3.030 0.000) 13.822 3.415 ( -3.960 1.541 0.000) 4.250 3.645 ( -5.807 9.044 0.000) 10.748 3.751 ( -7.668 6.893 0.000) 10.310 4.321 ( 2.757 -0.190 0.000) 2.763 4.833 ( 11.315 -0.396 0.000) 11.322 5.449 ( 0.221 -5.296 0.000) 5.301 6.157 ( 17.857 -7.160 0.000) 19.239 7.397 ( 4.328 0.017 0.000) 4.328 7.822 ( -15.404 8.306 0.000) 17.501 8.406 ( -2.026 -2.725 0.000) 3.396 24.652 ( -0.124 -0.157 0.000) 0.200 27.481 ( 0.894 -0.236 0.000) 0.924 30.274 ( 1.815 0.292 0.000) 1.838 34.534 ( -3.422 0.600 0.000) 3.474 94.134 ( 0.044 -0.044 0.000) 0.062 97.158 ( -0.678 -1.998 0.000) 2.110======================= Grid point 21 (14/399) =======================q-point: ( 0.43 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 686Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.824 ( 12.355 -9.139 0.000) 15.368 3.025 ( 3.017 -0.014 0.000) 3.017 3.344 ( -2.362 0.813 0.000) 2.498 3.385 ( -9.308 10.543 0.000) 14.064 3.669 ( -3.200 -0.752 0.000) 3.287 4.334 ( 0.547 0.551 0.000) 0.777 4.974 ( 3.677 2.904 0.000) 4.686 5.486 ( 0.583 -3.251 0.000) 3.303 6.425 ( 5.345 -4.634 0.000) 7.074 7.395 ( -11.463 -4.083 0.000) 12.169 7.606 ( 4.966 7.922 0.000) 9.350 8.409 ( 0.861 -0.942 0.000) 1.277 24.652 ( 0.096 -0.043 0.000) 0.105 27.492 ( 0.197 -0.030 0.000) 0.200 30.289 ( -0.086 0.100 0.000) 0.132 34.495 ( -0.629 -0.021 0.000) 0.630 94.135 ( 0.065 0.011 0.000) 0.066 97.174 ( 1.637 -0.137 0.000) 1.643======================= Grid point 22 (15/399) =======================q-point: (-0.50 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 686Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.848 ( -9.527 11.510 0.000) 14.941 2.963 ( -7.976 4.322 0.000) 9.072 3.336 ( 6.997 -6.800 0.000) 9.756 3.359 ( 1.932 -2.996 0.000) 3.565 3.615 ( -4.761 -4.440 0.000) 6.510 4.348 ( 1.248 1.399 0.000) 1.874 4.915 ( -6.116 5.797 0.000) 8.427 5.512 ( 0.480 -1.259 0.000) 1.347 6.347 ( -13.689 5.059 0.000) 14.594 7.238 ( -8.266 -10.619 0.000) 13.457 7.761 ( 13.400 4.078 0.000) 14.006 8.450 ( 3.423 0.390 0.000) 3.445 24.656 ( 0.348 0.113 0.000) 0.366 27.488 ( -0.555 0.232 0.000) 0.601 30.268 ( -2.243 -0.091 0.000) 2.245 34.513 ( 2.325 -0.814 0.000) 2.464 94.136 ( 0.056 0.089 0.000) 0.105 97.219 ( 4.035 2.036 0.000) 4.520======================= Grid point 23 (16/399) =======================q-point: (-0.43 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 686Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.522 ( -12.966 19.174 0.000) 23.146 2.699 ( -15.331 8.066 0.000) 17.323 3.411 ( 0.097 -4.500 0.000) 4.502 3.449 ( -7.554 -7.789 0.000) 10.850 3.657 ( 7.688 -12.341 0.000) 14.540 4.299 ( -6.704 6.162 0.000) 9.106 4.746 ( -5.293 4.614 0.000) 7.021 5.516 ( -0.781 -0.035 0.000) 0.782 5.950 ( -21.965 9.612 0.000) 23.976 7.216 ( -3.719 -10.947 0.000) 11.562 7.981 ( 11.774 0.737 0.000) 11.798 8.529 ( 6.070 0.989 0.000) 6.150 24.662 ( 0.516 0.331 0.000) 0.613 27.470 ( -1.160 0.450 0.000) 1.245 30.211 ( -4.144 -0.599 0.000) 4.187 34.586 ( 4.762 -1.490 0.000) 4.990 94.136 ( 0.066 0.141 0.000) 0.155 97.290 ( 6.370 4.457 0.000) 7.775======================= Grid point 24 (17/399) =======================q-point: (-0.36 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 686Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.137 ( -12.658 24.706 0.000) 27.760 2.319 ( -19.417 10.635 0.000) 22.139 3.183 ( -24.943 -7.085 0.000) 25.930 3.481 ( 1.714 -5.111 0.000) 5.391 3.920 ( 7.630 -14.508 0.000) 16.392 4.002 ( -16.397 9.051 0.000) 18.729 4.712 ( 2.262 1.373 0.000) 2.646 5.404 ( -17.303 3.987 0.000) 17.756 5.569 ( -5.053 7.540 0.000) 9.076 7.235 ( -1.787 -8.546 0.000) 8.731 8.146 ( 6.283 -0.463 0.000) 6.300 8.661 ( 9.039 0.216 0.000) 9.042 24.669 ( 0.528 0.596 0.000) 0.796 27.442 ( -1.468 0.552 0.000) 1.569 30.131 ( -5.473 -1.686 0.000) 5.727 34.698 ( 6.179 -1.795 0.000) 6.435 94.137 ( 0.120 0.136 0.000) 0.181 97.386 ( 8.656 7.199 0.000) 11.258======================= Grid point 25 (18/399) =======================q-point: (-0.29 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 686Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.730 ( -11.305 29.944 0.000) 32.007 1.861 ( -21.906 13.315 0.000) 25.635 2.642 ( -37.420 -1.084 0.000) 37.436 3.530 ( -11.860 0.096 0.000) 11.860 3.576 ( -11.370 -1.001 0.000) 11.414 4.192 ( 8.038 -15.518 0.000) 17.476 4.759 ( 3.207 1.035 0.000) 3.370 5.033 ( -14.650 7.820 0.000) 16.606 5.514 ( -0.315 4.146 0.000) 4.158 7.267 ( -0.742 -6.724 0.000) 6.764 8.216 ( 1.616 -0.337 0.000) 1.651 8.840 ( 10.097 -0.946 0.000) 10.141 24.672 ( 0.395 0.841 0.000) 0.929 27.412 ( -1.430 0.524 0.000) 1.523 30.042 ( -6.389 -3.501 0.000) 7.285 34.826 ( 6.430 -1.591 0.000) 6.624 94.139 ( 0.194 0.089 0.000) 0.214 97.503 ( 11.294 10.669 0.000) 15.536======================= Grid point 26 (19/399) =======================q-point: (-0.21 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 686Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.318 ( -10.335 32.785 0.000) 34.375 1.354 ( -22.220 17.250 0.000) 28.130 1.895 ( -42.026 6.710 0.000) 42.558 3.031 ( -29.308 0.805 0.000) 29.319 3.628 ( 1.759 -5.542 0.000) 5.815 4.422 ( 5.434 -14.301 0.000) 15.299 4.780 ( -2.198 4.188 0.000) 4.730 4.830 ( -0.414 2.964 0.000) 2.993 5.472 ( -1.408 3.980 0.000) 4.222 7.298 ( -0.787 -6.003 0.000) 6.054 8.220 ( -1.388 -0.670 0.000) 1.542 9.023 ( 9.224 -0.819 0.000) 9.261 24.671 ( 0.206 0.970 0.000) 0.991 27.385 ( -1.100 0.412 0.000) 1.175 29.949 ( -7.853 -6.212 0.000) 10.013 34.946 ( 5.810 -0.833 0.000) 5.869 94.143 ( 0.234 0.043 0.000) 0.238 97.652 ( 15.941 15.843 0.000) 22.475======================= Grid point 27 (20/399) =======================q-point: (-0.14 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 686Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.828 ( -19.901 21.721 0.000) 29.459 0.871 ( -23.920 20.524 0.000) 31.518 1.115 ( -24.799 29.777 0.000) 38.752 2.550 ( -21.772 -0.996 0.000) 21.795 3.691 ( 1.167 -4.716 0.000) 4.858 4.545 ( -0.426 -5.888 0.000) 5.903 4.764 ( 4.498 0.422 0.000) 4.518 4.859 ( 3.049 -0.263 0.000) 3.061 5.398 ( -4.725 2.605 0.000) 5.395 7.316 ( -2.153 -6.502 0.000) 6.849 8.173 ( -4.945 -1.171 0.000) 5.082 9.180 ( 8.192 0.548 0.000) 8.210 24.667 ( 0.061 0.911 0.000) 0.913 27.367 ( -0.594 0.278 0.000) 0.655 29.828 ( -12.623 -9.366 0.000) 15.718 35.046 ( 5.202 0.272 0.000) 5.209 94.146 ( 0.195 0.038 0.000) 0.199 97.898 ( 28.485 22.470 0.000) 36.281======================= Grid point 28 (21/399) =======================q-point: (-0.07 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.248 ( -0.000 17.643 0.000) 17.643 0.416 ( -0.000 29.821 0.000) 29.821 0.669 ( -0.000 47.806 0.000) 47.806 2.346 ( 0.000 -1.207 0.000) 1.207 3.731 ( 0.000 -3.309 0.000) 3.309 4.549 ( 0.000 -1.372 0.000) 1.372 4.816 ( -0.000 0.738 0.000) 0.738 4.965 ( 0.000 -2.464 0.000) 2.464 5.285 ( -0.000 0.538 0.000) 0.538 7.321 ( 0.000 -5.866 0.000) 5.866 8.064 ( -0.000 5.010 0.000) 5.010 9.294 ( 0.000 -1.674 0.000) 1.674 24.662 ( -0.000 0.667 0.000) 0.667 27.360 ( -0.000 0.173 0.000) 0.173 29.638 ( -0.000 0.294 0.000) 0.294 35.122 ( 0.000 -1.499 0.000) 1.499 94.148 ( -0.000 0.039 0.000) 0.039 98.336 ( 0.000 -0.499 0.000) 0.499======================= Grid point 31 (22/399) =======================q-point: ( 0.14 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 399Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.413 ( 24.440 -0.000 0.000) 24.440 2.075 ( 24.532 -0.000 0.000) 24.532 3.429 ( 38.632 -0.000 0.000) 38.632 3.583 ( -3.165 0.000 0.000) 3.165 3.721 ( 6.628 -0.000 0.000) 6.628 4.476 ( -12.569 0.000 0.000) 12.569 4.690 ( -2.716 0.000 0.000) 2.716 5.227 ( 22.954 -0.000 0.000) 22.954 5.291 ( 1.849 -0.000 0.000) 1.849 7.290 ( 0.388 -0.000 0.000) 0.388 8.331 ( 0.113 -0.000 0.000) 0.113 8.610 ( -14.792 0.000 0.000) 14.792 24.654 ( -0.147 0.000 0.000) 0.147 27.428 ( 1.534 -0.000 0.000) 1.534 30.190 ( 2.918 -0.000 0.000) 2.918 34.738 ( -6.256 0.000 0.000) 6.256 94.135 ( -0.158 0.000 0.000) 0.158 97.171 ( -2.904 0.000 0.000) 2.904======================= Grid point 32 (23/399) =======================q-point: ( 0.21 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 686Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.871 ( 23.570 -5.477 0.000) 24.198 2.489 ( 20.523 -1.416 0.000) 20.572 3.513 ( -4.042 0.605 0.000) 4.087 3.757 ( 1.187 3.753 0.000) 3.936 4.014 ( 17.409 -2.595 0.000) 17.602 4.233 ( -7.405 5.585 0.000) 9.275 4.675 ( 2.491 -0.146 0.000) 2.495 5.321 ( 1.133 -3.800 0.000) 3.965 5.676 ( 23.395 -2.088 0.000) 23.488 7.320 ( 2.706 -0.549 0.000) 2.761 8.264 ( -10.374 8.984 0.000) 13.724 8.377 ( -7.080 -6.838 0.000) 9.843 24.651 ( -0.156 -0.089 0.000) 0.180 27.455 ( 1.414 -0.117 0.000) 1.419 30.239 ( 2.648 0.285 0.000) 2.663 34.629 ( -5.564 0.288 0.000) 5.571 94.133 ( -0.037 -0.013 0.000) 0.039 97.136 ( -1.491 -1.309 0.000) 1.984======================= Grid point 33 (24/399) =======================q-point: ( 0.29 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 700Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.318 ( 20.673 -7.336 0.000) 21.936 2.821 ( 14.784 -1.619 0.000) 14.873 3.432 ( -4.360 0.804 0.000) 4.433 3.715 ( -3.247 2.188 0.000) 3.915 3.866 ( -13.711 7.582 0.000) 15.668 4.324 ( 3.819 0.537 0.000) 3.856 4.837 ( 13.764 0.680 0.000) 13.780 5.374 ( 1.228 -4.780 0.000) 4.935 6.071 ( 17.324 -4.728 0.000) 17.957 7.388 ( 3.613 -0.791 0.000) 3.698 7.935 ( -16.454 6.923 0.000) 17.851 8.365 ( -0.375 -2.843 0.000) 2.867 24.650 ( -0.055 -0.099 0.000) 0.113 27.478 ( 1.005 -0.140 0.000) 1.015 30.277 ( 1.627 0.205 0.000) 1.640 34.541 ( -3.765 0.323 0.000) 3.779 94.134 ( 0.069 -0.019 0.000) 0.072 97.136 ( 0.545 -1.182 0.000) 1.302======================= Grid point 34 (25/399) =======================q-point: ( 0.36 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 686Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.704 ( 16.099 -7.355 0.000) 17.700 3.023 ( 6.034 -0.255 0.000) 6.039 3.350 ( -3.778 0.371 0.000) 3.796 3.539 ( -11.577 10.027 0.000) 15.315 3.657 ( -5.911 -0.764 0.000) 5.960 4.344 ( 0.724 0.677 0.000) 0.991 5.026 ( 7.006 4.182 0.000) 8.159 5.429 ( 1.347 -4.379 0.000) 4.582 6.345 ( 7.998 -6.176 0.000) 10.105 7.356 ( -12.528 -1.633 0.000) 12.634 7.710 ( 1.873 6.532 0.000) 6.795 8.392 ( 1.805 -1.332 0.000) 2.243 24.651 ( 0.172 -0.053 0.000) 0.180 27.492 ( 0.356 -0.037 0.000) 0.358 30.290 ( -0.157 0.125 0.000) 0.201 34.494 ( -1.134 -0.026 0.000) 1.134 94.136 ( 0.117 0.014 0.000) 0.118 97.172 ( 2.956 -0.172 0.000) 2.961======================= Grid point 35 (26/399) =======================q-point: (-0.57 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 700Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.943 ( 2.756 1.411 0.000) 3.096 3.013 ( -4.321 3.283 0.000) 5.426 3.317 ( -3.376 4.243 0.000) 5.422 3.321 ( -0.355 -2.696 0.000) 2.719 3.558 ( -7.200 -3.657 0.000) 8.076 4.366 ( 2.302 1.083 0.000) 2.544 5.011 ( -3.803 7.591 0.000) 8.490 5.477 ( 0.660 -3.458 0.000) 3.521 6.389 ( -7.227 0.797 0.000) 7.271 7.100 ( -13.826 -8.308 0.000) 16.130 7.829 ( 12.161 5.082 0.000) 13.180 8.449 ( 3.817 -0.373 0.000) 3.835 24.657 ( 0.462 0.060 0.000) 0.466 27.491 ( -0.393 0.162 0.000) 0.425 30.267 ( -2.384 0.025 0.000) 2.384 34.503 ( 1.783 -0.676 0.000) 1.907 94.137 ( 0.112 0.083 0.000) 0.139 97.244 ( 5.463 1.476 0.000) 5.659======================= Grid point 36 (27/399) =======================q-point: (-0.50 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 686Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.758 ( -10.422 13.413 0.000) 16.986 2.830 ( -11.328 11.356 0.000) 16.040 3.334 ( -6.293 -6.045 0.000) 8.726 3.358 ( -1.002 -5.609 0.000) 5.698 3.510 ( 3.656 -8.906 0.000) 9.627 4.372 ( -2.057 4.233 0.000) 4.706 4.830 ( -7.772 7.417 0.000) 10.744 5.493 ( -1.630 -2.926 0.000) 3.349 6.086 ( -19.109 9.798 0.000) 21.474 7.026 ( -5.375 -15.518 0.000) 16.422 8.022 ( 12.070 4.450 0.000) 12.864 8.535 ( 5.580 -0.074 0.000) 5.581 24.666 ( 0.694 0.269 0.000) 0.745 27.476 ( -1.047 0.377 0.000) 1.113 30.205 ( -4.548 -0.319 0.000) 4.559 34.566 ( 4.322 -1.404 0.000) 4.544 94.138 ( 0.100 0.150 0.000) 0.181 97.347 ( 7.903 3.568 0.000) 8.672======================= Grid point 37 (28/399) =======================q-point: (-0.43 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 700Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.444 ( -12.902 16.280 0.000) 20.773 2.500 ( -13.142 17.966 0.000) 22.259 3.093 ( -22.117 -5.729 0.000) 22.847 3.399 ( 0.346 -6.691 0.000) 6.700 3.731 ( 8.937 -12.355 0.000) 15.248 4.137 ( -18.037 9.753 0.000) 20.505 4.737 ( 1.163 2.320 0.000) 2.595 5.424 ( -10.109 -0.914 0.000) 10.150 5.694 ( -12.029 10.592 0.000) 16.028 7.065 ( -2.997 -15.454 0.000) 15.742 8.178 ( 8.260 4.531 0.000) 9.421 8.657 ( 7.704 -0.819 0.000) 7.747 24.677 ( 0.764 0.580 0.000) 0.959 27.450 ( -1.432 0.521 0.000) 1.524 30.112 ( -6.225 -1.119 0.000) 6.325 34.672 ( 5.930 -1.961 0.000) 6.246 94.139 ( 0.126 0.179 0.000) 0.219 97.478 ( 10.290 5.929 0.000) 11.876======================= Grid point 38 (29/399) =======================q-point: (-0.36 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 686Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.054 ( -17.884 15.650 0.000) 23.764 2.132 ( -11.108 25.435 0.000) 27.755 2.635 ( -30.081 0.567 0.000) 30.086 3.459 ( 0.572 -7.504 0.000) 7.526 3.632 ( -27.382 5.987 0.000) 28.028 4.002 ( 8.838 -11.594 0.000) 14.579 4.776 ( 3.392 1.363 0.000) 3.655 5.140 ( -14.272 7.029 0.000) 15.909 5.553 ( -2.609 2.366 0.000) 3.522 7.120 ( -2.460 -13.951 0.000) 14.166 8.253 ( 3.994 5.185 0.000) 6.545 8.820 ( 9.116 -1.946 0.000) 9.322 24.685 ( 0.645 0.934 0.000) 1.135 27.419 ( -1.461 0.552 0.000) 1.561 30.001 ( -7.362 -2.378 0.000) 7.736 34.799 ( 6.361 -2.190 0.000) 6.728 94.141 ( 0.188 0.162 0.000) 0.248 97.636 ( 12.928 8.378 0.000) 15.405======================= Grid point 39 (30/399) =======================q-point: (-0.29 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 700Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.603 ( -18.157 19.364 0.000) 26.545 1.698 ( -22.945 17.706 0.000) 28.982 2.070 ( -21.123 20.415 0.000) 29.376 3.054 ( -31.082 2.898 0.000) 31.217 3.533 ( 1.000 -8.058 0.000) 8.120 4.244 ( 8.582 -11.317 0.000) 14.203 4.820 ( 2.138 1.987 0.000) 2.919 4.898 ( -6.620 5.975 0.000) 8.918 5.494 ( -3.756 -0.145 0.000) 3.758 7.164 ( -3.020 -12.701 0.000) 13.056 8.259 ( 1.174 5.750 0.000) 5.869 9.000 ( 8.854 -2.447 0.000) 9.186 24.687 ( 0.405 1.224 0.000) 1.289 27.392 ( -1.161 0.486 0.000) 1.259 29.880 ( -8.375 -3.657 0.000) 9.139 34.924 ( 5.733 -2.124 0.000) 6.114 94.144 ( 0.242 0.126 0.000) 0.272 97.834 ( 16.491 10.317 0.000) 19.452======================= Grid point 40 (31/399) =======================q-point: (-0.21 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 686Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.041 ( -36.292 9.619 0.000) 37.545 1.156 ( -13.757 24.587 0.000) 28.174 1.651 ( -3.397 40.770 0.000) 40.912 2.536 ( -23.190 -0.715 0.000) 23.201 3.605 ( 0.806 -7.617 0.000) 7.660 4.448 ( 5.733 -7.249 0.000) 9.243 4.793 ( 1.246 2.565 0.000) 2.851 4.864 ( 1.644 0.657 0.000) 1.771 5.403 ( -7.058 -0.958 0.000) 7.123 7.186 ( -3.850 -11.568 0.000) 12.192 8.221 ( -0.628 6.625 0.000) 6.655 9.163 ( 6.934 -2.650 0.000) 7.423 24.683 ( 0.160 1.335 0.000) 1.344 27.372 ( -0.640 0.385 0.000) 0.747 29.747 ( -9.040 -3.210 0.000) 9.593 35.030 ( 4.206 -2.179 0.000) 4.737 94.147 ( 0.211 0.096 0.000) 0.232 98.098 ( 19.829 8.360 0.000) 21.519======================= Grid point 41 (32/399) =======================q-point: (-0.14 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 399Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.487 ( -0.000 16.713 0.000) 16.713 0.825 ( -0.000 28.923 0.000) 28.923 1.323 ( -0.000 46.190 0.000) 46.190 2.322 ( 0.000 -2.280 0.000) 2.280 3.663 ( 0.000 -6.444 0.000) 6.444 4.522 ( 0.000 -2.432 0.000) 2.432 4.828 ( -0.000 0.709 0.000) 0.709 4.917 ( 0.000 -4.107 0.000) 4.107 5.295 ( -0.000 0.907 0.000) 0.907 7.211 ( 0.000 -9.587 0.000) 9.587 8.156 ( -0.000 7.895 0.000) 7.895 9.259 ( 0.000 -3.284 0.000) 3.284 24.675 ( -0.000 1.216 0.000) 1.216 27.364 ( -0.000 0.311 0.000) 0.311 29.643 ( -0.000 0.529 0.000) 0.529 35.093 ( 0.000 -2.712 0.000) 2.712 94.149 ( -0.000 0.070 0.000) 0.070 98.326 ( 0.000 -0.900 0.000) 0.900======================= Grid point 46 (33/399) =======================q-point: ( 0.21 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.265 ( 21.680 -0.000 0.000) 21.680 2.810 ( 15.225 -0.000 0.000) 15.225 3.437 ( -4.482 0.000 0.000) 4.482 3.728 ( -3.962 0.000 0.000) 3.962 3.923 ( -14.192 0.000 0.000) 14.192 4.329 ( 3.811 -0.000 0.000) 3.811 4.844 ( 14.845 -0.000 0.000) 14.845 5.337 ( 1.822 -0.000 0.000) 1.822 6.037 ( 16.922 -0.000 0.000) 16.922 7.382 ( 3.579 -0.000 0.000) 3.579 7.988 ( -17.765 0.000 0.000) 17.765 8.342 ( 1.028 -0.000 0.000) 1.028 24.649 ( -0.031 0.000 0.000) 0.031 27.477 ( 1.045 -0.000 0.000) 1.045 30.279 ( 1.553 -0.000 0.000) 1.553 34.543 ( -3.885 0.000 0.000) 3.885 94.134 ( 0.078 -0.000 0.000) 0.078 97.127 ( 0.999 -0.000 0.000) 0.999======================= Grid point 47 (34/399) =======================q-point: ( 0.29 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 686Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.633 ( 17.638 -2.677 0.000) 17.840 3.020 ( 7.562 -0.124 0.000) 7.563 3.354 ( -4.592 0.156 0.000) 4.595 3.631 ( -7.611 1.932 0.000) 7.853 3.659 ( -12.002 1.697 0.000) 12.121 4.351 ( 0.644 0.309 0.000) 0.714 5.075 ( 9.271 2.189 0.000) 9.526 5.380 ( 1.927 -2.173 0.000) 2.904 6.276 ( 8.500 -2.916 0.000) 8.986 7.344 ( -12.298 -0.319 0.000) 12.303 7.775 ( -0.231 2.545 0.000) 2.555 8.377 ( 2.579 -0.666 0.000) 2.664 24.651 ( 0.215 -0.024 0.000) 0.216 27.491 ( 0.444 -0.016 0.000) 0.444 30.292 ( -0.198 0.056 0.000) 0.205 34.494 ( -1.413 -0.011 0.000) 1.413 94.136 ( 0.145 0.006 0.000) 0.145 97.170 ( 3.692 -0.076 0.000) 3.693======================= Grid point 48 (35/399) =======================q-point: (-0.64 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 686Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.922 ( 11.636 -2.398 0.000) 11.881 3.061 ( -2.456 2.942 0.000) 3.833 3.286 ( -2.973 -2.091 0.000) 3.635 3.400 ( -9.632 5.755 0.000) 11.220 3.517 ( -8.541 -2.236 0.000) 8.829 4.378 ( 2.705 0.566 0.000) 2.763 5.111 ( -2.041 6.177 0.000) 6.506 5.428 ( 0.977 -3.163 0.000) 3.310 6.374 ( -0.610 -2.214 0.000) 2.297 7.019 ( -20.155 -3.352 0.000) 20.432 7.889 ( 11.513 3.228 0.000) 11.957 8.443 ( 4.128 -0.487 0.000) 4.156 24.657 ( 0.544 0.021 0.000) 0.545 27.493 ( -0.281 0.081 0.000) 0.292 30.268 ( -2.463 0.050 0.000) 2.463 34.495 ( 1.402 -0.384 0.000) 1.453 94.138 ( 0.153 0.050 0.000) 0.161 97.259 ( 6.401 0.762 0.000) 6.446======================= Grid point 49 (36/399) =======================q-point: (-0.57 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 686Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.900 ( -9.224 8.379 0.000) 12.462 2.991 ( -4.145 9.799 0.000) 10.640 3.265 ( -6.120 -3.699 0.000) 7.151 3.282 ( -2.964 -4.797 0.000) 5.639 3.407 ( -0.989 -5.996 0.000) 6.078 4.416 ( 0.904 2.163 0.000) 2.344 4.941 ( -9.698 7.906 0.000) 12.512 5.445 ( -1.936 -3.520 0.000) 4.017 6.219 ( -13.996 9.219 0.000) 16.759 6.807 ( -9.373 -15.415 0.000) 18.041 8.086 ( 12.364 4.219 0.000) 13.064 8.530 ( 5.144 -0.552 0.000) 5.174 24.669 ( 0.844 0.170 0.000) 0.861 27.480 ( -0.955 0.246 0.000) 0.986 30.202 ( -4.792 -0.110 0.000) 4.793 34.549 ( 3.944 -1.002 0.000) 4.069 94.140 ( 0.133 0.115 0.000) 0.176 97.388 ( 8.930 2.250 0.000) 9.210======================= Grid point 50 (37/399) =======================q-point: (-0.50 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 686Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.625 ( -13.145 11.892 0.000) 17.726 2.761 ( -9.409 16.532 0.000) 19.021 3.032 ( -18.460 -2.364 0.000) 18.611 3.297 ( -1.312 -7.867 0.000) 7.975 3.575 ( 8.528 -10.235 0.000) 13.322 4.263 ( -16.376 8.020 0.000) 18.234 4.777 ( -1.323 3.360 0.000) 3.611 5.391 ( -7.365 -3.313 0.000) 8.076 5.858 ( -14.088 12.893 0.000) 19.097 6.824 ( -3.735 -18.649 0.000) 19.019 8.254 ( 9.645 5.786 0.000) 11.248 8.640 ( 6.449 -1.547 0.000) 6.632 24.684 ( 0.988 0.453 0.000) 1.087 27.456 ( -1.396 0.398 0.000) 1.452 30.100 ( -6.658 -0.573 0.000) 6.682 34.646 ( 5.636 -1.666 0.000) 5.877 94.142 ( 0.136 0.166 0.000) 0.215 97.547 ( 11.177 4.035 0.000) 11.883======================= Grid point 51 (38/399) =======================q-point: (-0.43 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 686Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.272 ( -15.146 15.590 0.000) 21.736 2.405 ( -20.872 11.480 0.000) 23.821 2.694 ( -14.461 9.774 0.000) 17.454 3.341 ( -0.553 -9.351 0.000) 9.368 3.696 ( -18.711 0.894 0.000) 18.733 3.893 ( -0.162 -2.284 0.000) 2.289 4.796 ( 3.334 1.531 0.000) 3.669 5.207 ( -12.784 1.939 0.000) 12.931 5.607 ( -6.430 6.259 0.000) 8.973 6.897 ( -2.571 -17.504 0.000) 17.692 8.344 ( 5.624 7.458 0.000) 9.341 8.786 ( 7.933 -2.960 0.000) 8.467 24.697 ( 0.907 0.842 0.000) 1.238 27.427 ( -1.488 0.475 0.000) 1.562 29.976 ( -7.733 -1.280 0.000) 7.839 34.768 ( 6.138 -2.214 0.000) 6.525 94.143 ( 0.179 0.179 0.000) 0.253 97.733 ( 13.143 5.564 0.000) 14.273======================= Grid point 52 (39/399) =======================q-point: (-0.36 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 686Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.841 ( -32.835 6.529 0.000) 33.478 1.880 ( -15.113 19.402 0.000) 24.593 2.401 ( -5.647 23.121 0.000) 23.800 3.127 ( -30.836 8.315 0.000) 31.938 3.406 ( 0.053 -10.183 0.000) 10.183 4.104 ( 10.582 -8.987 0.000) 13.883 4.844 ( 2.869 1.609 0.000) 3.289 4.970 ( -10.042 3.657 0.000) 10.687 5.489 ( -5.426 0.181 0.000) 5.429 6.964 ( -2.796 -15.463 0.000) 15.714 8.362 ( 2.708 8.445 0.000) 8.869 8.956 ( 7.923 -3.889 0.000) 8.827 24.704 ( 0.634 1.239 0.000) 1.392 27.398 ( -1.219 0.469 0.000) 1.306 29.844 ( -7.919 -1.735 0.000) 8.107 34.890 ( 5.414 -2.630 0.000) 6.019 94.146 ( 0.225 0.156 0.000) 0.274 97.944 ( 14.625 5.830 0.000) 15.744======================= Grid point 53 (40/399) =======================q-point: (-0.29 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 686Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.171 ( -32.881 9.104 0.000) 34.118 1.498 ( -10.007 24.385 0.000) 26.359 2.169 ( 0.736 30.305 0.000) 30.314 2.558 ( -24.427 7.076 0.000) 25.431 3.482 ( 0.332 -10.143 0.000) 10.148 4.351 ( 9.785 -6.772 0.000) 11.900 4.815 ( -4.860 0.042 0.000) 4.860 4.875 ( 1.284 1.132 0.000) 1.712 5.387 ( -6.284 -0.958 0.000) 6.357 7.011 ( -2.884 -13.198 0.000) 13.509 8.332 ( 0.927 9.001 0.000) 9.049 9.112 ( 5.725 -4.562 0.000) 7.321 24.703 ( 0.288 1.507 0.000) 1.534 27.378 ( -0.680 0.422 0.000) 0.801 29.721 ( -6.468 -0.924 0.000) 6.533 34.992 ( 3.500 -3.076 0.000) 4.660 94.149 ( 0.191 0.116 0.000) 0.223 98.171 ( 13.236 3.030 0.000) 13.578======================= Grid point 54 (41/399) =======================q-point: (-0.21 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.709 ( -0.000 15.121 0.000) 15.121 1.217 ( -0.000 27.449 0.000) 27.449 1.947 ( -0.000 43.359 0.000) 43.359 2.284 ( 0.000 -3.079 0.000) 3.079 3.553 ( 0.000 -9.254 0.000) 9.254 4.484 ( 0.000 -2.979 0.000) 2.979 4.805 ( 0.000 -5.229 0.000) 5.229 4.881 ( -0.000 0.173 0.000) 0.173 5.309 ( -0.000 1.035 0.000) 1.035 7.063 ( 0.000 -11.491 0.000) 11.491 8.276 ( -0.000 9.197 0.000) 9.197 9.203 ( 0.000 -4.771 0.000) 4.771 24.694 ( -0.000 1.542 0.000) 1.542 27.369 ( -0.000 0.388 0.000) 0.388 29.652 ( -0.000 0.659 0.000) 0.659 35.049 ( 0.000 -3.404 0.000) 3.404 94.150 ( -0.000 0.089 0.000) 0.089 98.312 ( 0.000 -1.124 0.000) 1.124======================= Grid point 61 (42/399) =======================q-point: ( 0.29 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 399Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.904 ( 13.247 -0.000 0.000) 13.247 3.083 ( -0.582 0.000 0.000) 0.582 3.270 ( -4.648 0.000 0.000) 4.648 3.445 ( -10.903 0.000 0.000) 10.903 3.499 ( -8.930 0.000 0.000) 8.930 4.382 ( 2.791 -0.000 0.000) 2.791 5.159 ( -1.357 0.000 0.000) 1.357 5.403 ( 1.141 -0.000 0.000) 1.141 6.354 ( 1.836 -0.000 0.000) 1.836 6.998 ( -22.555 0.000 0.000) 22.555 7.912 ( 11.294 -0.000 0.000) 11.294 8.439 ( 4.255 -0.000 0.000) 4.255 24.658 ( 0.574 -0.000 0.000) 0.574 27.493 ( -0.241 0.000 0.000) 0.241 30.268 ( -2.487 0.000 0.000) 2.487 34.492 ( 1.264 -0.000 0.000) 1.264 94.139 ( 0.167 -0.000 0.000) 0.167 97.265 ( 6.727 -0.000 0.000) 6.727======================= Grid point 62 (43/399) =======================q-point: (-0.64 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 686Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.996 ( -7.097 4.688 0.000) 8.506 3.076 ( 3.134 2.481 0.000) 3.997 3.204 ( -3.686 -3.768 0.000) 5.272 3.268 ( -8.657 1.594 0.000) 8.802 3.340 ( -6.207 -3.545 0.000) 7.148 4.435 ( 2.152 0.641 0.000) 2.246 5.028 ( -10.811 3.689 0.000) 11.423 5.406 ( -1.903 -1.712 0.000) 2.560 6.335 ( -4.253 6.549 0.000) 7.809 6.624 ( -18.249 -9.283 0.000) 20.474 8.129 ( 12.635 1.683 0.000) 12.747 8.523 ( 4.825 -0.317 0.000) 4.836 24.671 ( 0.931 0.058 0.000) 0.932 27.482 ( -0.903 0.085 0.000) 0.907 30.201 ( -4.901 -0.019 0.000) 4.901 34.539 ( 3.725 -0.363 0.000) 3.743 94.141 ( 0.153 0.043 0.000) 0.159 97.409 ( 9.436 0.763 0.000) 9.466======================= Grid point 63 (44/399) =======================q-point: (-0.57 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 700Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.778 ( -11.005 9.680 0.000) 14.657 2.900 ( -17.421 2.746 0.000) 17.637 3.070 ( -7.615 8.214 0.000) 11.201 3.187 ( -2.959 -7.565 0.000) 8.123 3.444 ( 7.923 -8.624 0.000) 11.711 4.350 ( -13.480 4.340 0.000) 14.162 4.825 ( -4.670 3.109 0.000) 5.610 5.345 ( -6.806 -2.883 0.000) 7.391 6.050 ( -14.194 14.533 0.000) 20.314 6.563 ( -3.700 -18.381 0.000) 18.750 8.325 ( 10.890 4.062 0.000) 11.622 8.617 ( 5.132 -1.505 0.000) 5.348 24.689 ( 1.149 0.247 0.000) 1.176 27.460 ( -1.370 0.214 0.000) 1.387 30.095 ( -6.865 -0.213 0.000) 6.868 34.628 ( 5.405 -0.955 0.000) 5.489 94.144 ( 0.144 0.099 0.000) 0.175 97.589 ( 11.565 2.009 0.000) 11.738======================= Grid point 64 (45/399) =======================q-point: (-0.50 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 686Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.469 ( -24.142 4.363 0.000) 24.533 2.484 ( -16.219 10.792 0.000) 19.481 2.877 ( -5.959 13.612 0.000) 14.859 3.204 ( -1.910 -9.965 0.000) 10.146 3.641 ( 3.212 -6.487 0.000) 7.238 3.941 ( -19.683 6.365 0.000) 20.686 4.818 ( 3.002 1.474 0.000) 3.345 5.198 ( -11.369 -2.362 0.000) 11.612 5.728 ( -10.943 10.445 0.000) 15.128 6.652 ( -0.857 -16.974 0.000) 16.995 8.448 ( 6.951 7.167 0.000) 9.984 8.739 ( 6.449 -3.789 0.000) 7.479 24.707 ( 1.125 0.583 0.000) 1.268 27.432 ( -1.505 0.319 0.000) 1.538 29.963 ( -7.833 -0.551 0.000) 7.852 34.740 ( 5.909 -1.626 0.000) 6.129 94.145 ( 0.167 0.136 0.000) 0.215 97.793 ( 12.839 3.081 0.000) 13.203======================= Grid point 65 (46/399) =======================q-point: (-0.43 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 700Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.904 ( -32.860 3.234 0.000) 33.019 2.147 ( -11.643 18.352 0.000) 21.734 2.647 ( -10.087 11.873 0.000) 15.579 3.254 ( -0.901 -11.404 0.000) 11.440 3.299 ( -22.304 15.918 0.000) 27.402 3.989 ( 11.167 -7.727 0.000) 13.580 4.865 ( 2.807 1.337 0.000) 3.109 4.988 ( -12.385 -0.995 0.000) 12.425 5.515 ( -7.739 3.644 0.000) 8.554 6.751 ( -0.706 -14.749 0.000) 14.766 8.484 ( 3.515 8.863 0.000) 9.535 8.893 ( 6.753 -5.179 0.000) 8.510 24.720 ( 0.849 1.005 0.000) 1.316 27.404 ( -1.263 0.368 0.000) 1.316 29.828 ( -7.432 -0.682 0.000) 7.463 34.855 ( 5.117 -2.300 0.000) 5.610 94.148 ( 0.196 0.136 0.000) 0.239 98.004 ( 12.733 3.013 0.000) 13.084======================= Grid point 66 (47/399) =======================q-point: (-0.36 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 686Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.289 ( -28.892 7.775 0.000) 29.920 1.826 ( -7.639 22.536 0.000) 23.796 2.368 ( -13.304 2.422 0.000) 13.523 2.848 ( -9.434 30.176 0.000) 31.616 3.327 ( -0.198 -11.995 0.000) 11.996 4.259 ( 12.325 -6.486 0.000) 13.928 4.787 ( -10.828 -3.839 0.000) 11.489 4.897 ( 1.582 1.839 0.000) 2.426 5.383 ( -5.435 0.482 0.000) 5.456 6.829 ( -1.085 -12.668 0.000) 12.715 8.462 ( 1.417 9.528 0.000) 9.632 9.039 ( 4.697 -5.985 0.000) 7.608 24.723 ( 0.422 1.380 0.000) 1.443 27.383 ( -0.713 0.378 0.000) 0.807 29.715 ( -5.148 -0.105 0.000) 5.149 34.949 ( 3.105 -2.966 0.000) 4.294 94.150 ( 0.159 0.108 0.000) 0.192 98.196 ( 9.569 1.002 0.000) 9.621======================= Grid point 67 (48/399) =======================q-point: (-0.29 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 399Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.904 ( -0.000 12.781 0.000) 12.781 1.584 ( -0.000 25.289 0.000) 25.289 2.239 ( 0.000 -3.440 0.000) 3.440 2.521 ( -0.000 39.071 0.000) 39.071 3.408 ( 0.000 -11.538 0.000) 11.538 4.442 ( 0.000 -2.940 0.000) 2.940 4.705 ( 0.000 -8.660 0.000) 8.660 4.899 ( -0.000 1.809 0.000) 1.809 5.323 ( -0.000 0.947 0.000) 0.947 6.899 ( 0.000 -11.822 0.000) 11.822 8.407 ( -0.000 9.681 0.000) 9.681 9.127 ( 0.000 -6.092 0.000) 6.092 24.716 ( -0.000 1.571 0.000) 1.571 27.374 ( -0.000 0.389 0.000) 0.389 29.661 ( -0.000 0.659 0.000) 0.659 35.001 ( 0.000 -3.429 0.000) 3.429 94.151 ( -0.000 0.090 0.000) 0.090 98.296 ( 0.000 -1.124 0.000) 1.124======================= Grid point 76 (49/399) =======================q-point: (-0.64 0.36 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.860 ( -10.029 0.000 0.000) 10.029 2.908 ( -19.634 0.000 0.000) 19.634 3.120 ( -3.723 0.000 0.000) 3.723 3.157 ( -5.598 0.000 0.000) 5.598 3.365 ( 8.733 -0.000 0.000) 8.733 4.380 ( -12.005 0.000 0.000) 12.005 4.849 ( -6.322 0.000 0.000) 6.322 5.323 ( -6.766 0.000 0.000) 6.766 6.213 ( -19.395 0.000 0.000) 19.395 6.371 ( 1.763 -0.000 0.000) 1.763 8.355 ( 11.615 -0.000 0.000) 11.615 8.605 ( 4.360 -0.000 0.000) 4.360 24.691 ( 1.208 -0.000 0.000) 1.208 27.462 ( -1.361 0.000 0.000) 1.361 30.094 ( -6.925 0.000 0.000) 6.925 34.621 ( 5.319 -0.000 0.000) 5.319 94.144 ( 0.147 -0.000 0.000) 0.147 97.603 ( 11.669 -0.000 0.000) 11.669======================= Grid point 78 (50/399) =======================q-point: (-0.57 0.36 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 686Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.477 ( -27.557 -0.020 0.000) 27.557 2.640 ( -11.078 7.438 0.000) 13.343 3.021 ( -7.956 6.018 0.000) 9.975 3.083 ( -2.833 -6.090 0.000) 6.717 3.563 ( 10.509 -3.571 0.000) 11.099 4.014 ( -22.853 3.105 0.000) 23.063 4.834 ( 2.640 0.730 0.000) 2.739 5.165 ( -11.169 -1.642 0.000) 11.289 5.863 ( -15.534 6.920 0.000) 17.005 6.458 ( 2.799 -9.070 0.000) 9.492 8.532 ( 8.905 4.161 0.000) 9.829 8.688 ( 4.287 -2.942 0.000) 5.199 24.713 ( 1.250 0.208 0.000) 1.267 27.435 ( -1.512 0.112 0.000) 1.516 29.959 ( -7.849 -0.143 0.000) 7.850 34.725 ( 5.772 -0.596 0.000) 5.803 94.147 ( 0.158 0.050 0.000) 0.166 97.821 ( 12.571 0.978 0.000) 12.609======================= Grid point 79 (51/399) =======================q-point: (-0.50 0.36 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 686Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.936 ( -31.095 1.528 0.000) 31.133 2.375 ( -9.804 13.608 0.000) 16.772 2.751 ( -18.486 4.014 0.000) 18.916 3.099 ( -1.761 -10.080 0.000) 10.233 3.533 ( -11.120 16.213 0.000) 19.660 3.882 ( 10.219 -8.042 0.000) 13.004 4.881 ( 2.328 1.082 0.000) 2.567 4.956 ( -13.121 -2.959 0.000) 13.450 5.578 ( -11.343 4.519 0.000) 12.210 6.574 ( 2.316 -9.908 0.000) 10.175 8.604 ( 4.337 8.299 0.000) 9.364 8.813 ( 5.456 -6.316 0.000) 8.347 24.731 ( 1.003 0.562 0.000) 1.150 27.408 ( -1.290 0.201 0.000) 1.305 29.823 ( -7.139 -0.204 0.000) 7.142 34.829 ( 4.925 -1.325 0.000) 5.100 94.149 ( 0.171 0.078 0.000) 0.188 98.033 ( 11.516 1.264 0.000) 11.585======================= Grid point 80 (52/399) =======================q-point: (-0.43 0.36 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 686Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.381 ( -25.742 5.298 0.000) 26.282 2.115 ( -6.128 18.609 0.000) 19.592 2.368 ( -19.210 -0.940 0.000) 19.233 3.155 ( -0.748 -12.014 0.000) 12.037 3.256 ( -3.182 26.371 0.000) 26.563 4.167 ( 14.086 -6.858 0.000) 15.667 4.721 ( -14.312 -5.112 0.000) 15.198 4.920 ( 1.569 1.363 0.000) 2.079 5.398 ( -6.246 1.405 0.000) 6.402 6.671 ( 0.868 -9.630 0.000) 9.669 8.594 ( 1.720 9.344 0.000) 9.501 8.947 ( 3.824 -7.124 0.000) 8.086 24.740 ( 0.532 0.968 0.000) 1.105 27.388 ( -0.737 0.260 0.000) 0.781 29.715 ( -4.519 0.113 0.000) 4.520 34.913 ( 2.891 -2.108 0.000) 3.578 94.152 ( 0.130 0.076 0.000) 0.151 98.204 ( 7.639 0.251 0.000) 7.644======================= Grid point 81 (53/399) =======================q-point: (-0.36 0.36 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.060 ( -0.000 9.530 0.000) 9.530 1.914 ( -0.000 21.979 0.000) 21.979 2.192 ( 0.000 -3.142 0.000) 3.142 3.022 ( -0.000 32.619 0.000) 32.619 3.238 ( 0.000 -12.703 0.000) 12.703 4.405 ( 0.000 -2.343 0.000) 2.343 4.571 ( 0.000 -10.439 0.000) 10.439 4.924 ( -0.000 1.675 0.000) 1.675 5.334 ( -0.000 0.704 0.000) 0.704 6.744 ( 0.000 -10.155 0.000) 10.155 8.542 ( -0.000 9.685 0.000) 9.685 9.035 ( 0.000 -7.206 0.000) 7.206 24.736 ( -0.000 1.281 0.000) 1.281 27.379 ( -0.000 0.312 0.000) 0.312 29.669 ( -0.000 0.528 0.000) 0.528 34.957 ( 0.000 -2.768 0.000) 2.768 94.152 ( -0.000 0.073 0.000) 0.073 98.282 ( 0.000 -0.902 0.000) 0.902======================= Grid point 92 (54/399) =======================q-point: (-0.57 0.43 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 399Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.947 ( -30.348 0.000 0.000) 30.348 2.482 ( -9.240 0.000 0.000) 9.240 2.777 ( -21.476 0.000 0.000) 21.476 3.016 ( -2.002 0.000 0.000) 2.002 3.695 ( -11.462 0.000 0.000) 11.462 3.782 ( 14.129 -0.000 0.000) 14.129 4.892 ( 3.001 -0.000 0.000) 3.001 4.929 ( -14.192 0.000 0.000) 14.192 5.614 ( -13.455 0.000 0.000) 13.455 6.500 ( 4.104 -0.000 0.000) 4.104 8.700 ( 7.113 -0.000 0.000) 7.113 8.730 ( 2.487 -0.000 0.000) 2.487 24.735 ( 1.059 -0.000 0.000) 1.059 27.410 ( -1.298 0.000 0.000) 1.298 29.821 ( -7.046 0.000 0.000) 7.046 34.820 ( 4.859 -0.000 0.000) 4.859 94.150 ( 0.161 -0.000 0.000) 0.161 98.041 ( 11.107 -0.000 0.000) 11.107======================= Grid point 94 (55/399) =======================q-point: (-0.50 0.43 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 686Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.432 ( -23.973 1.892 0.000) 24.047 2.315 ( -5.908 8.402 0.000) 10.272 2.358 ( -20.541 -0.054 0.000) 20.541 3.013 ( -1.000 -6.701 0.000) 6.775 3.544 ( -1.897 12.766 0.000) 12.906 4.076 ( 15.640 -5.158 0.000) 16.468 4.663 ( -15.897 -2.488 0.000) 16.091 4.934 ( 1.672 0.489 0.000) 1.742 5.415 ( -7.636 0.768 0.000) 7.674 6.575 ( 2.310 -3.700 0.000) 4.362 8.719 ( 1.952 8.530 0.000) 8.750 8.843 ( 3.265 -7.778 0.000) 8.435 24.749 ( 0.595 0.348 0.000) 0.690 27.390 ( -0.749 0.093 0.000) 0.754 29.717 ( -4.268 0.064 0.000) 4.269 34.893 ( 2.796 -0.761 0.000) 2.897 94.152 ( 0.114 0.027 0.000) 0.117 98.206 ( 6.801 0.033 0.000) 6.801======================= Grid point 95 (56/399) =======================q-point: (-0.43 0.43 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 399Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.163 ( -0.000 5.205 0.000) 5.205 2.155 ( 0.000 -1.959 0.000) 1.959 2.180 ( -0.000 15.451 0.000) 15.451 3.067 ( 0.000 -10.819 0.000) 10.819 3.410 ( -0.000 21.845 0.000) 21.845 4.379 ( 0.000 -1.297 0.000) 1.297 4.424 ( 0.000 -9.891 0.000) 9.891 4.944 ( -0.000 1.004 0.000) 1.004 5.342 ( -0.000 0.372 0.000) 0.372 6.629 ( 0.000 -6.036 0.000) 6.036 8.674 ( -0.000 9.238 0.000) 9.238 8.929 ( 0.000 -7.980 0.000) 7.980 24.751 ( -0.000 0.719 0.000) 0.719 27.383 ( -0.000 0.173 0.000) 0.173 29.675 ( -0.000 0.293 0.000) 0.293 34.927 ( 0.000 -1.543 0.000) 1.543 94.153 ( -0.000 0.041 0.000) 0.041 98.272 ( 0.000 -0.501 0.000) 0.501======================= Grid point 109 (57/399) =======================q-point: ( 0.50 -0.50 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 224Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.200 ( -0.000 0.000 0.000) 0.000 2.141 ( -0.000 0.000 0.000) 0.000 2.300 ( -0.000 0.000 0.000) 0.000 2.979 ( 0.000 -0.000 0.000) 0.000 3.577 ( -0.000 0.000 0.000) 0.000 4.342 ( -0.000 0.000 0.000) 0.000 4.370 ( -0.000 0.000 0.000) 0.000 4.951 ( -0.000 0.000 0.000) 0.000 5.345 ( -0.000 0.000 0.000) 0.000 6.585 ( -0.000 0.000 0.000) 0.000 8.777 ( -0.000 0.000 0.000) 0.000 8.835 ( 0.000 -0.000 0.000) 0.000 24.756 ( -0.000 0.000 0.000) 0.000 27.384 ( -0.000 0.000 0.000) 0.000 29.677 ( -0.000 0.000 0.000) 0.000 34.916 ( -0.000 0.000 0.000) 0.000 94.154 ( -0.000 0.000 0.000) 0.000 98.268 ( -0.000 0.000 0.000) 0.000======================= Grid point 203 (58/399) =======================q-point: ( 0.00 0.00 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 399Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.591 ( 0.000 0.000 31.019) 31.019 0.592 ( 0.000 0.000 30.260) 30.260 0.912 ( 0.000 0.000 46.262) 46.262 2.431 ( 0.000 0.000 7.662) 7.662 3.792 ( 0.000 0.000 3.884) 3.884 4.535 ( 0.000 0.000 -2.368) 2.368 4.936 ( 0.000 0.000 -3.851) 3.851 5.245 ( 0.000 0.000 -2.039) 2.039 5.260 ( 0.000 0.000 -2.138) 2.138 6.729 ( 0.000 0.000 1.915) 1.915 8.362 ( 0.000 0.000 4.915) 4.915 9.266 ( 0.000 0.000 -3.202) 3.202 25.298 ( 0.000 0.000 12.686) 12.686 27.394 ( 0.000 0.000 3.571) 3.571 29.605 ( 0.000 0.000 -3.145) 3.145 34.861 ( 0.000 0.000 -17.140) 17.140 95.662 ( 0.000 0.000 1.498) 1.498 97.312 ( 0.000 0.000 -4.069) 4.069======================= Grid point 204 (59/399) =======================q-point: ( 0.07 0.00 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.586 ( 12.097 3.561 20.486) 24.056 0.788 ( 12.628 -19.706 21.740) 31.945 1.378 ( 34.494 -7.202 33.750) 48.794 2.624 ( 20.047 0.412 6.524) 21.086 3.774 ( -1.624 1.022 3.744) 4.207 4.559 ( 2.905 0.408 -2.058) 3.583 4.839 ( -3.245 14.645 -2.796) 15.258 5.098 ( -8.380 0.355 13.226) 15.661 5.287 ( -0.050 -9.229 -2.230) 9.495 7.011 ( 14.274 -2.641 -17.770) 22.945 8.309 ( 1.384 13.226 4.288) 13.973 9.191 ( -10.575 -10.733 0.421) 15.073 25.043 ( -12.347 4.275 26.177) 29.257 27.401 ( 0.706 -0.104 3.705) 3.773 29.803 ( 12.791 3.501 -12.446) 18.187 34.844 ( -2.673 -1.172 -17.449) 17.692 94.910 ( -34.143 18.392 40.121) 55.801 97.377 ( -6.689 -21.062 -7.158) 23.229======================= Grid point 205 (60/399) =======================q-point: ( 0.14 0.00 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1276Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.914 ( 17.169 -14.036 7.380) 23.372 1.240 ( 21.433 -16.901 10.420) 29.216 2.095 ( 39.452 -3.577 22.718) 45.666 3.065 ( 26.443 -0.059 3.957) 26.738 3.725 ( -2.201 2.508 3.740) 5.012 4.603 ( 0.117 11.880 -2.005) 12.049 4.698 ( 1.934 3.836 -2.531) 4.986 4.988 ( -5.092 -1.344 13.699) 14.676 5.350 ( -0.530 -9.773 -2.384) 10.073 7.170 ( 4.344 0.463 -13.978) 14.645 8.257 ( 1.915 10.873 0.190) 11.042 9.055 ( -11.959 -8.290 1.422) 14.620 24.893 ( -3.970 1.007 21.699) 22.082 27.420 ( 1.329 -0.244 4.091) 4.308 29.947 ( 7.303 4.084 -8.531) 11.949 34.780 ( -4.762 -0.052 -17.112) 17.762 94.464 ( -11.088 5.557 26.827) 29.555 97.362 ( -7.627 -13.710 -5.496) 16.623======================= Grid point 206 (61/399) =======================q-point: ( 0.21 0.00 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.350 ( 17.751 -19.332 3.177) 26.437 1.748 ( 22.593 -13.328 5.617) 26.826 2.807 ( 37.340 0.845 14.094) 39.920 3.479 ( 14.686 -1.612 -0.887) 14.801 3.690 ( 3.436 2.850 6.007) 7.484 4.399 ( -7.176 17.152 -2.428) 18.751 4.836 ( 4.733 0.396 4.735) 6.706 4.961 ( 5.748 -5.757 5.319) 9.720 5.401 ( -0.783 -8.389 -2.467) 8.779 7.211 ( 1.953 1.827 -9.613) 9.978 8.212 ( 0.072 8.303 -3.182) 8.893 8.879 ( -12.763 -5.783 2.110) 14.170 24.844 ( -1.616 0.059 18.162) 18.234 27.451 ( 1.759 -0.392 4.676) 5.011 30.038 ( 5.820 2.841 -5.384) 8.422 34.679 ( -5.933 0.862 -16.679) 17.724 94.315 ( -4.138 1.967 16.612) 17.232 97.308 ( -7.021 -9.352 -4.582) 12.560======================= Grid point 207 (62/399) =======================q-point: ( 0.29 0.00 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1276Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.807 ( 17.897 -19.064 1.183) 26.175 2.223 ( 20.563 -10.596 3.767) 23.437 3.363 ( 24.409 6.939 7.282) 26.400 3.534 ( -0.748 2.834 -0.347) 2.951 3.905 ( 14.075 -5.499 3.209) 15.448 4.137 ( -8.703 15.553 -0.694) 17.836 4.802 ( -3.574 -0.546 9.539) 10.201 5.305 ( 21.485 -5.951 -2.426) 22.425 5.443 ( 0.206 -7.177 -2.497) 7.602 7.232 ( 2.538 3.120 -7.044) 8.111 8.127 ( -4.194 6.986 -5.428) 9.791 8.690 ( -11.700 -4.776 3.032) 12.996 24.823 ( -0.928 -0.154 16.458) 16.485 27.487 ( 1.871 -0.487 5.359) 5.697 30.121 ( 5.099 1.617 -3.610) 6.454 34.562 ( -6.042 1.320 -16.238) 17.376 94.256 ( -1.791 0.797 11.831) 11.992 97.245 ( -5.877 -6.557 -4.025) 9.682======================= Grid point 208 (63/399) =======================q-point: ( 0.36 0.00 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.249 ( 17.067 -16.777 -0.067) 23.932 2.626 ( 16.757 -7.966 2.780) 18.761 3.442 ( -2.830 2.965 -1.564) 4.387 3.628 ( 8.251 8.767 5.700) 13.320 3.845 ( -9.558 12.836 0.018) 16.004 4.221 ( 11.771 -4.530 1.718) 12.729 4.777 ( 1.243 -2.316 7.171) 7.638 5.459 ( -0.254 -4.236 -2.827) 5.099 5.785 ( 22.728 -7.453 -3.994) 24.250 7.266 ( 4.421 4.980 -5.420) 8.586 7.952 ( -10.590 4.994 -5.482) 12.928 8.541 ( -7.858 -3.738 2.928) 9.181 24.811 ( -0.620 -0.139 15.624) 15.637 27.522 ( 1.582 -0.458 6.004) 6.226 30.196 ( 3.991 0.732 -2.605) 4.822 34.452 ( -4.956 1.277 -15.835) 16.641 94.230 ( -0.794 0.321 9.562) 9.600 97.191 ( -4.230 -4.306 -3.650) 7.054======================= Grid point 209 (64/399) =======================q-point: ( 0.43 0.00 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1276Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.644 ( 14.626 -13.464 -1.112) 19.910 2.920 ( 10.111 -4.624 1.599) 11.233 3.360 ( -3.337 3.959 -1.897) 5.514 3.527 ( -9.137 9.772 2.880) 13.685 3.726 ( 1.749 4.194 5.106) 6.835 4.341 ( 0.973 -0.424 1.171) 1.580 4.888 ( 6.785 -2.776 3.284) 8.033 5.475 ( -0.408 -2.308 -3.014) 3.818 6.197 ( 16.040 -6.420 -6.149) 18.339 7.327 ( 7.242 7.065 -4.684) 11.149 7.697 ( -14.451 0.644 -3.106) 14.795 8.458 ( -3.742 -1.935 1.834) 4.595 24.803 ( -0.334 -0.069 15.233) 15.237 27.548 ( 0.909 -0.280 6.468) 6.538 30.250 ( 2.225 0.236 -2.093) 3.064 34.373 ( -2.798 0.778 -15.546) 15.815 94.219 ( -0.300 0.107 8.520) 8.526 97.155 ( -2.209 -2.163 -3.425) 4.613======================= Grid point 210 (65/399) =======================q-point: (-0.50 0.00 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 650Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.891 ( 0.000 -0.000 -1.397) 1.397 3.001 ( 0.000 -0.000 -1.912) 1.912 3.307 ( 0.000 -0.000 1.870) 1.870 3.375 ( -0.000 0.000 2.647) 2.647 3.730 ( 0.000 -0.000 5.539) 5.539 4.340 ( 0.000 -0.000 1.030) 1.030 4.971 ( 0.000 -0.000 1.748) 1.748 5.479 ( 0.000 -0.000 -3.119) 3.119 6.381 ( 0.000 -0.000 -7.637) 7.637 7.424 ( 0.000 0.000 -10.069) 10.069 7.492 ( -0.000 -0.000 4.238) 4.238 8.431 ( 0.000 -0.000 1.310) 1.310 24.800 ( 0.000 -0.000 15.118) 15.118 27.557 ( 0.000 -0.000 6.637) 6.637 30.269 ( 0.000 -0.000 -1.937) 1.937 34.344 ( 0.000 -0.000 -15.440) 15.440 94.216 ( 0.000 -0.000 8.214) 8.214 97.143 ( 0.000 -0.000 -3.349) 3.349======================= Grid point 219 (66/399) =======================q-point: ( 0.07 0.07 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 686Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.809 ( 13.782 -0.000 20.414) 24.631 1.113 ( 27.078 -0.000 5.142) 27.562 2.071 ( 41.562 -0.000 22.198) 47.119 3.065 ( 26.073 -0.000 3.986) 26.376 3.741 ( -2.189 0.000 3.577) 4.194 4.647 ( 7.280 -0.000 -1.271) 7.390 4.800 ( -6.861 0.000 -2.713) 7.377 4.979 ( -5.472 0.000 14.021) 15.051 5.248 ( 0.231 -0.000 -2.116) 2.129 7.167 ( 4.534 -0.000 -13.066) 13.830 8.360 ( -0.148 0.000 3.860) 3.862 8.977 ( -9.936 0.000 -3.985) 10.705 24.901 ( -4.851 0.000 22.401) 22.920 27.419 ( 1.312 -0.000 4.093) 4.298 29.979 ( 6.276 -0.000 -10.037) 11.838 34.778 ( -4.339 0.000 -16.853) 17.402 94.508 ( -14.759 0.000 29.471) 32.960 97.253 ( -2.950 0.000 -3.820) 4.827======================= Grid point 220 (67/399) =======================q-point: ( 0.14 0.07 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.143 ( 19.037 -8.651 11.682) 23.952 1.622 ( 26.453 -4.670 1.746) 26.919 2.816 ( 40.233 0.370 14.011) 42.604 3.463 ( 14.603 -0.591 -0.415) 14.621 3.717 ( 1.569 0.988 5.895) 6.180 4.611 ( -8.940 10.650 -2.893) 14.203 4.846 ( 11.259 0.704 1.448) 11.373 4.896 ( -0.898 -3.097 9.618) 10.144 5.280 ( 0.124 -6.782 -2.160) 7.119 7.215 ( 1.515 -0.358 -8.137) 8.284 8.331 ( -0.207 6.447 1.425) 6.606 8.797 ( -12.243 -4.581 -4.684) 13.886 24.845 ( -1.872 0.053 18.698) 18.791 27.447 ( 1.742 -0.145 4.668) 4.985 30.068 ( 4.720 1.258 -6.157) 7.860 34.686 ( -5.699 0.228 -16.556) 17.511 94.336 ( -5.478 0.898 18.318) 19.141 97.209 ( -3.873 -4.021 -3.705) 6.701======================= Grid point 221 (68/399) =======================q-point: ( 0.21 0.07 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.580 ( 20.572 -12.486 5.920) 24.783 2.110 ( 23.541 -5.511 1.094) 24.202 3.454 ( 26.763 5.936 6.343) 28.138 3.554 ( 2.703 0.004 -0.546) 2.757 3.838 ( 9.150 -3.789 6.318) 11.747 4.346 ( -10.706 13.150 -2.184) 17.097 4.798 ( -4.179 -0.111 9.860) 10.710 5.234 ( 22.115 -3.884 -2.359) 22.577 5.335 ( 0.842 -7.538 -1.948) 7.831 7.245 ( 1.887 -0.330 -5.335) 5.668 8.253 ( -2.861 10.015 -3.092) 10.865 8.606 ( -12.535 -6.933 -1.693) 14.424 24.822 ( -0.952 -0.074 16.806) 16.833 27.482 ( 1.892 -0.281 5.338) 5.671 30.141 ( 4.287 1.102 -3.916) 5.910 34.576 ( -6.064 0.667 -16.190) 17.301 94.266 ( -2.316 0.546 12.749) 12.969 97.168 ( -3.718 -4.158 -3.525) 6.599======================= Grid point 222 (69/399) =======================q-point: ( 0.29 0.07 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.037 ( 19.875 -12.983 2.540) 23.875 2.536 ( 19.388 -4.972 1.073) 20.044 3.471 ( -3.497 1.360 -1.946) 4.227 3.746 ( 6.345 7.883 6.423) 11.986 4.011 ( -8.256 8.621 -1.005) 11.979 4.174 ( 12.542 -0.709 2.827) 12.876 4.757 ( 0.688 -0.809 7.193) 7.271 5.379 ( 0.089 -6.644 -2.540) 7.114 5.697 ( 22.941 -5.206 -3.345) 23.761 7.295 ( 3.623 0.096 -3.755) 5.219 8.062 ( -10.575 10.077 -6.306) 15.911 8.472 ( -7.169 -6.173 1.266) 9.545 24.809 ( -0.583 -0.104 15.843) 15.854 27.517 ( 1.675 -0.335 5.978) 6.217 30.206 ( 3.506 0.643 -2.682) 4.461 34.466 ( -5.244 0.843 -15.824) 16.692 94.234 ( -1.022 0.271 10.055) 10.111 97.137 ( -2.509 -3.283 -3.355) 5.322======================= Grid point 223 (70/399) =======================q-point: ( 0.36 0.07 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.462 ( 17.378 -11.967 0.346) 21.103 2.864 ( 13.283 -3.322 1.084) 13.735 3.394 ( -3.745 1.313 -1.617) 4.286 3.683 ( -9.337 11.336 1.815) 14.798 3.784 ( -3.218 4.196 4.672) 7.057 4.338 ( 2.430 0.002 1.708) 2.970 4.868 ( 9.390 -0.302 3.436) 10.003 5.422 ( 0.166 -5.038 -2.736) 5.735 6.105 ( 16.932 -6.497 -5.203) 18.867 7.372 ( 4.741 0.254 -3.325) 5.796 7.763 ( -14.357 7.884 -4.911) 17.100 8.421 ( -2.511 -3.254 1.254) 4.298 24.802 ( -0.297 -0.081 15.345) 15.348 27.544 ( 1.078 -0.250 6.448) 6.543 30.253 ( 2.011 0.289 -2.091) 2.915 34.383 ( -3.310 0.599 -15.548) 15.908 94.221 ( -0.402 0.109 8.746) 8.756 97.126 ( -0.632 -1.900 -3.279) 3.842======================= Grid point 224 (71/399) =======================q-point: ( 0.43 0.07 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.809 ( 11.746 -8.840 -1.291) 14.758 3.018 ( 1.266 1.219 -0.720) 1.899 3.343 ( 0.253 0.907 0.704) 1.176 3.415 ( -9.567 8.218 2.014) 12.772 3.730 ( -2.829 0.034 6.104) 6.728 4.342 ( -0.094 0.242 0.807) 0.848 4.991 ( 3.555 2.849 1.696) 4.861 5.456 ( 0.556 -3.078 -2.984) 4.322 6.351 ( 4.634 -4.008 -7.231) 9.478 7.360 ( -12.320 -4.838 -5.602) 14.372 7.581 ( 6.431 8.258 -0.502) 10.479 8.423 ( 1.054 -1.080 1.229) 1.946 24.799 ( 0.034 -0.038 15.122) 15.122 27.557 ( 0.209 -0.032 6.635) 6.639 30.270 ( -0.099 0.096 -1.940) 1.945 34.344 ( -0.625 -0.020 -15.439) 15.452 94.217 ( -0.061 0.015 8.217) 8.217 97.142 ( 1.565 -0.126 -3.341) 3.692======================= Grid point 225 (72/399) =======================q-point: (-0.50 0.07 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.813 ( -10.780 10.109 -2.784) 15.039 2.984 ( -4.345 3.739 1.425) 5.907 3.296 ( 1.264 -3.270 -1.471) 3.802 3.428 ( 5.688 -5.073 4.324) 8.762 3.673 ( -4.763 -3.307 5.705) 8.135 4.347 ( 0.233 0.402 0.060) 0.468 4.946 ( -4.435 5.529 2.989) 7.692 5.483 ( 0.583 -1.177 -3.021) 3.294 6.275 ( -12.841 4.414 -7.091) 15.319 7.193 ( -9.650 -10.936 -5.342) 15.532 7.735 ( 12.992 5.034 -1.723) 14.039 8.475 ( 4.465 0.529 2.190) 5.001 24.803 ( 0.383 0.032 15.118) 15.123 27.552 ( -0.721 0.245 6.487) 6.531 30.247 ( -2.419 -0.103 -2.107) 3.210 34.362 ( 2.214 -0.809 -15.540) 15.718 94.218 ( 0.206 -0.079 8.284) 8.287 97.184 ( 3.832 1.949 -3.562) 5.583======================= Grid point 226 (73/399) =======================q-point: (-0.43 0.07 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.481 ( -14.743 15.863 -3.157) 21.885 2.756 ( -13.014 10.653 4.889) 17.514 3.383 ( 2.303 -5.660 -2.177) 6.487 3.510 ( -8.007 -7.889 5.399) 12.470 3.687 ( 6.441 -9.391 2.865) 11.743 4.283 ( -7.855 4.061 -0.757) 8.875 4.824 ( -2.696 4.521 7.036) 8.786 5.489 ( -0.490 0.087 -2.788) 2.832 5.900 ( -21.208 8.822 -4.969) 23.501 7.145 ( -5.660 -12.170 -7.402) 15.328 7.935 ( 11.119 2.262 -3.563) 11.893 8.578 ( 7.867 1.579 4.081) 9.002 24.812 ( 0.686 0.136 15.365) 15.381 27.529 ( -1.466 0.474 6.035) 6.229 30.187 ( -4.464 -0.567 -2.548) 5.171 34.432 ( 4.552 -1.490 -15.839) 16.548 94.226 ( 0.574 -0.275 9.005) 9.027 97.252 ( 6.012 4.250 -3.960) 8.360======================= Grid point 227 (74/399) =======================q-point: (-0.36 0.07 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.079 ( -16.120 19.231 -3.983) 25.408 2.401 ( -16.128 14.891 6.995) 23.039 3.267 ( -21.943 -6.580 8.144) 24.313 3.476 ( 1.749 -5.522 -0.638) 5.828 3.915 ( 6.369 -10.966 -1.687) 12.793 4.010 ( -14.701 4.557 2.719) 15.629 4.814 ( 2.521 1.244 9.215) 9.634 5.382 ( -17.006 4.337 -2.279) 17.698 5.535 ( -4.291 6.750 -3.271) 8.642 7.138 ( -4.150 -10.710 -9.793) 15.093 8.082 ( 6.081 0.695 -4.676) 7.702 8.737 ( 11.069 2.003 5.972) 12.735 24.826 ( 0.941 0.220 15.993) 16.022 27.495 ( -1.842 0.575 5.387) 5.722 30.099 ( -5.936 -1.475 -3.300) 6.950 34.540 ( 5.901 -1.817 -16.280) 17.411 94.245 ( 1.250 -0.744 10.704) 10.802 97.340 ( 8.070 6.826 -4.583) 11.521======================= Grid point 228 (75/399) =======================q-point: (-0.29 0.07 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.637 ( -17.464 20.945 -5.203) 27.762 1.980 ( -17.235 19.239 9.270) 27.443 2.796 ( -31.915 -0.487 14.440) 35.033 3.498 ( -9.978 0.265 -1.613) 10.111 3.648 ( -11.306 -2.223 5.621) 12.820 4.173 ( 7.365 -14.799 -1.639) 16.612 4.836 ( -2.217 0.380 5.367) 5.820 5.051 ( -8.775 7.110 3.161) 11.728 5.488 ( -0.128 4.093 -2.568) 4.834 7.138 ( -3.790 -9.333 -12.571) 16.109 8.147 ( 1.503 -0.393 -4.370) 4.638 8.938 ( 12.732 2.617 7.282) 14.899 24.845 ( 1.337 0.089 17.319) 17.370 27.457 ( -1.791 0.538 4.690) 5.050 29.997 ( -6.988 -2.828 -4.453) 8.755 34.662 ( 6.085 -1.657 -16.802) 17.947 94.287 ( 2.633 -1.929 14.212) 14.582 97.447 ( 10.211 10.016 -5.617) 15.366======================= Grid point 229 (76/399) =======================q-point: (-0.21 0.07 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.162 ( -18.905 20.646 -5.100) 28.454 1.523 ( -17.610 21.487 11.746) 30.162 2.179 ( -31.573 9.120 24.044) 40.720 3.070 ( -27.529 0.832 3.963) 27.826 3.669 ( 1.942 -5.633 3.842) 7.090 4.392 ( 5.208 -14.720 -2.857) 15.874 4.707 ( -6.607 2.462 -3.356) 7.808 5.015 ( 3.930 2.402 12.800) 13.603 5.450 ( -1.093 4.210 -2.219) 4.883 7.119 ( -5.302 -7.722 -16.278) 18.781 8.152 ( -1.668 -2.456 -2.833) 4.104 9.148 ( 13.054 4.411 8.349) 16.111 24.879 ( 2.483 -0.890 20.038) 20.211 27.425 ( -1.379 0.413 4.090) 4.336 29.885 ( -8.414 -4.302 -6.045) 11.218 34.774 ( 5.251 -0.967 -17.438) 18.237 94.382 ( 5.788 -5.492 21.363) 22.805 97.571 ( 13.149 14.642 -7.845) 21.186======================= Grid point 230 (77/399) =======================q-point: (-0.14 0.07 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.705 ( -14.090 18.260 4.160) 23.436 1.048 ( -20.670 15.766 16.595) 30.842 1.595 ( -18.938 23.921 33.816) 45.546 2.614 ( -20.651 -0.998 6.501) 21.673 3.739 ( 1.714 -4.303 4.211) 6.260 4.526 ( -0.537 -6.318 -2.083) 6.674 4.651 ( 0.526 -6.990 -5.321) 8.801 5.100 ( 7.006 0.464 13.058) 14.826 5.383 ( -3.652 3.355 -1.317) 5.131 7.029 ( -9.433 -2.447 -20.306) 22.523 8.136 ( -3.073 -6.825 1.145) 7.572 9.338 ( 11.861 7.242 7.638) 15.858 24.966 ( 5.542 -5.305 24.750) 25.912 27.403 ( -0.742 0.272 3.695) 3.779 29.742 ( -10.897 -4.105 -6.966) 13.569 34.858 ( 3.569 0.268 -18.512) 18.854 94.614 ( 12.233 -18.639 33.886) 40.562 97.719 ( 16.959 21.787 -14.869) 31.359======================= Grid point 231 (78/399) =======================q-point: (-0.07 0.07 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 686Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.572 ( -0.000 7.437 23.541) 24.688 0.642 ( -0.000 6.910 27.948) 28.790 1.210 ( -0.000 32.576 38.423) 50.374 2.422 ( 0.000 -1.262 7.625) 7.729 3.780 ( 0.000 -2.325 4.057) 4.676 4.526 ( 0.000 -1.280 -2.301) 2.634 4.753 ( 0.000 -15.514 -3.642) 15.936 5.261 ( 0.000 -0.490 9.351) 9.364 5.264 ( -0.000 0.469 -2.189) 2.238 6.859 ( -0.000 10.582 -14.961) 18.325 8.174 ( 0.000 -14.673 6.372) 15.997 9.411 ( -0.000 10.996 1.358) 11.080 25.132 ( 0.000 -15.753 24.576) 29.191 27.395 ( -0.000 0.167 3.567) 3.571 29.607 ( -0.000 0.285 -3.152) 3.164 34.887 ( -0.000 1.931 -19.574) 19.669 95.042 ( 0.000 -49.526 37.750) 62.273 97.756 ( -0.000 32.565 -28.573) 43.323======================= Grid point 234 (79/399) =======================q-point: ( 0.14 0.14 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 687Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.489 ( 22.009 -0.000 7.881) 23.377 2.072 ( 24.573 -0.000 0.158) 24.573 3.510 ( 35.475 -0.000 7.886) 36.341 3.541 ( -1.799 0.000 -2.678) 3.226 3.810 ( 5.122 -0.000 7.426) 9.021 4.450 ( -12.243 0.000 -2.709) 12.539 4.797 ( -4.374 0.000 10.046) 10.957 5.205 ( 21.352 -0.000 -2.370) 21.483 5.274 ( 2.912 -0.000 -1.590) 3.318 7.241 ( 1.838 -0.000 -4.862) 5.197 8.348 ( -0.461 0.000 1.695) 1.757 8.536 ( -14.927 0.000 -7.211) 16.577 24.821 ( -0.969 0.000 16.936) 16.964 27.480 ( 1.900 -0.000 5.331) 5.659 30.149 ( 3.936 -0.000 -4.049) 5.647 34.580 ( -6.052 0.000 -16.167) 17.263 94.270 ( -2.544 0.000 13.110) 13.355 97.138 ( -2.780 0.000 -3.319) 4.330======================= Grid point 235 (80/399) =======================q-point: ( 0.21 0.14 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.908 ( 21.972 -4.938 4.033) 22.879 2.489 ( 20.752 -1.704 0.212) 20.823 3.482 ( -3.904 0.398 -2.322) 4.560 3.835 ( 1.349 4.161 7.029) 8.279 4.037 ( 12.443 -1.691 2.179) 12.745 4.225 ( -4.043 4.442 -0.598) 6.036 4.751 ( 0.687 -0.070 7.327) 7.359 5.300 ( 1.173 -3.632 -2.172) 4.392 5.645 ( 22.703 -1.976 -3.039) 22.990 7.289 ( 3.458 -0.422 -3.163) 4.705 8.204 ( -13.489 9.075 -6.214) 17.405 8.374 ( -4.013 -7.240 0.117) 8.278 24.808 ( -0.569 -0.039 15.970) 15.980 27.513 ( 1.726 -0.123 5.962) 6.208 30.212 ( 3.187 0.259 -2.739) 4.211 34.474 ( -5.386 0.292 -15.815) 16.710 94.237 ( -1.175 0.108 10.349) 10.416 97.105 ( -1.419 -1.238 -3.171) 3.688======================= Grid point 236 (81/399) =======================q-point: ( 0.29 0.14 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1276Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.328 ( 19.523 -6.942 1.217) 20.756 2.829 ( 15.150 -1.732 0.777) 15.268 3.405 ( -4.296 0.375 -2.065) 4.782 3.792 ( -3.455 3.502 6.555) 8.196 3.860 ( -12.689 6.483 -0.185) 14.251 4.341 ( 3.262 0.360 1.655) 3.675 4.874 ( 11.761 0.823 3.604) 12.328 5.350 ( 1.141 -4.561 -2.362) 5.262 6.027 ( 16.584 -4.342 -4.496) 17.722 7.363 ( 3.342 -0.905 -2.953) 4.550 7.876 ( -15.163 7.029 -5.467) 17.584 8.373 ( -0.501 -3.249 0.682) 3.358 24.801 ( -0.275 -0.055 15.427) 15.430 27.541 ( 1.195 -0.149 6.433) 6.545 30.257 ( 1.837 0.200 -2.096) 2.794 34.389 ( -3.655 0.323 -15.548) 15.976 94.222 ( -0.486 0.070 8.910) 8.924 97.105 ( 0.531 -1.122 -3.165) 3.400======================= Grid point 237 (82/399) =======================q-point: ( 0.36 0.14 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.693 ( 15.071 -7.136 -0.925) 16.700 3.031 ( 5.393 0.640 0.613) 5.465 3.336 ( -2.586 -0.985 -0.650) 2.843 3.553 ( -11.638 9.551 0.581) 15.067 3.731 ( -4.686 0.054 7.319) 8.691 4.346 ( -0.385 0.283 0.307) 0.568 5.042 ( 6.710 4.126 1.582) 8.034 5.403 ( 1.265 -4.181 -2.691) 5.131 6.281 ( 7.069 -5.463 -6.343) 10.956 7.312 ( -13.470 -2.215 -5.321) 14.651 7.688 ( 3.578 6.698 -1.341) 7.711 8.404 ( 2.173 -1.518 1.037) 2.847 24.799 ( 0.060 -0.047 15.130) 15.130 27.557 ( 0.377 -0.040 6.632) 6.642 30.272 ( -0.180 0.120 -1.946) 1.958 34.344 ( -1.126 -0.025 -15.438) 15.479 94.217 ( -0.111 0.019 8.223) 8.224 97.140 ( 2.826 -0.158 -3.323) 4.365======================= Grid point 238 (83/399) =======================q-point: (-0.57 0.14 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1276Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.905 ( -0.670 2.179 -3.278) 3.993 3.010 ( -0.467 1.655 -0.357) 1.756 3.304 ( -6.365 1.812 -0.125) 6.619 3.377 ( 2.069 -0.731 4.350) 4.872 3.638 ( -6.199 -1.670 7.468) 9.848 4.351 ( 0.831 0.117 -1.300) 1.547 5.037 ( -2.454 7.184 2.471) 7.984 5.449 ( 0.758 -3.308 -2.830) 4.419 6.311 ( -7.231 0.580 -7.696) 10.576 7.053 ( -14.635 -8.345 -5.175) 17.624 7.813 ( 11.995 5.590 -1.135) 13.282 8.475 ( 4.942 -0.415 2.289) 5.462 24.804 ( 0.435 -0.001 15.022) 15.028 27.555 ( -0.551 0.171 6.501) 6.526 30.247 ( -2.561 0.009 -2.129) 3.330 34.351 ( 1.674 -0.671 -15.533) 15.637 94.217 ( 0.137 -0.044 8.083) 8.085 97.208 ( 5.197 1.418 -3.666) 6.516======================= Grid point 239 (84/399) =======================q-point: (-0.50 0.14 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.677 ( -12.614 12.412 -4.885) 18.358 2.912 ( -8.529 10.995 5.195) 14.853 3.292 ( 1.083 -6.909 -3.600) 7.866 3.413 ( -6.597 -6.028 6.170) 10.859 3.588 ( 2.516 -5.149 6.332) 8.540 4.330 ( -4.249 2.686 -3.211) 5.965 4.903 ( -4.779 6.716 6.395) 10.433 5.468 ( -1.222 -2.737 -2.548) 3.934 6.024 ( -18.363 8.828 -6.192) 21.295 6.947 ( -7.686 -15.486 -7.939) 19.024 7.994 ( 11.588 5.468 -2.154) 12.993 8.588 ( 7.536 0.015 4.606) 8.832 24.814 ( 0.770 0.105 15.121) 15.141 27.535 ( -1.349 0.397 6.063) 6.224 30.181 ( -4.819 -0.313 -2.528) 5.451 34.412 ( 4.108 -1.399 -15.836) 16.420 94.223 ( 0.408 -0.188 8.500) 8.512 97.306 ( 7.472 3.416 -4.216) 9.235======================= Grid point 240 (85/399) =======================q-point: (-0.43 0.14 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1276Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.328 ( -14.814 16.469 -6.299) 23.029 2.623 ( -12.267 16.213 7.419) 21.642 3.185 ( -18.820 -4.982 8.869) 21.393 3.384 ( 1.052 -7.465 -1.379) 7.664 3.763 ( 8.227 -9.777 2.595) 13.039 4.101 ( -16.951 7.106 -2.096) 18.499 4.838 ( 0.758 2.207 8.870) 9.172 5.408 ( -9.592 -0.556 -1.733) 9.763 5.649 ( -11.333 9.733 -4.507) 15.604 6.944 ( -5.735 -16.564 -11.729) 21.091 8.134 ( 7.978 5.973 -3.096) 10.436 8.748 ( 10.126 -0.286 7.465) 12.583 24.829 ( 1.008 0.242 15.523) 15.557 27.503 ( -1.809 0.544 5.417) 5.736 30.082 ( -6.544 -0.999 -3.091) 7.305 34.513 ( 5.640 -1.966 -16.299) 17.359 94.236 ( 0.841 -0.545 9.661) 9.713 97.428 ( 9.624 5.666 -5.033) 12.250======================= Grid point 241 (86/399) =======================q-point: (-0.36 0.14 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.919 ( -16.528 19.652 -7.532) 26.760 2.251 ( -15.882 18.394 7.797) 25.522 2.803 ( -23.741 1.939 15.188) 28.250 3.453 ( -0.533 -6.727 -0.671) 6.782 3.663 ( -23.647 4.390 3.056) 24.244 3.995 ( 8.265 -10.851 -0.302) 13.644 4.845 ( -0.698 0.936 5.520) 5.643 5.149 ( -10.571 6.465 1.525) 12.485 5.525 ( -2.135 2.028 -2.766) 4.040 6.957 ( -5.618 -16.037 -15.451) 22.967 8.196 ( 3.986 6.717 -3.304) 8.481 8.951 ( 11.842 -0.647 10.113) 15.587 24.847 ( 1.198 0.261 16.432) 16.478 27.465 ( -1.831 0.567 4.709) 5.084 29.963 ( -7.652 -1.983 -3.789) 8.766 34.634 ( 6.015 -2.207 -16.861) 18.038 94.264 ( 1.590 -1.413 12.012) 12.199 97.574 ( 11.808 8.026 -6.322) 15.614======================= Grid point 242 (87/399) =======================q-point: (-0.29 0.14 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1276Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.465 ( -17.501 22.248 -7.581) 29.304 1.784 ( -23.010 15.200 8.621) 28.893 2.358 ( -17.003 16.271 22.993) 32.902 3.096 ( -28.736 3.480 4.445) 29.286 3.569 ( 1.192 -8.619 3.311) 9.309 4.217 ( 7.828 -10.594 -2.555) 13.418 4.750 ( -6.533 3.466 -4.049) 8.432 5.051 ( 1.606 2.583 11.221) 11.626 5.474 ( -3.359 -0.108 -1.976) 3.898 6.957 ( -6.481 -14.872 -18.952) 24.947 8.191 ( 0.998 7.078 -2.985) 7.746 9.174 ( 12.105 -0.562 12.484) 17.398 24.871 ( 1.551 -0.267 18.241) 18.309 27.432 ( -1.449 0.489 4.092) 4.369 29.835 ( -8.382 -2.754 -4.469) 9.891 34.753 ( 5.278 -2.101 -17.526) 18.423 94.319 ( 2.820 -3.614 16.417) 17.045 97.744 ( 14.216 10.163 -8.780) 19.557======================= Grid point 243 (88/399) =======================q-point: (-0.21 0.14 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.006 ( -14.466 22.345 -0.818) 26.631 1.243 ( -23.889 14.236 12.703) 30.573 1.992 ( -5.582 30.950 27.868) 42.020 2.603 ( -22.156 -0.079 6.907) 23.207 3.652 ( 1.266 -8.084 4.222) 9.208 4.412 ( 6.082 -7.833 -3.663) 10.571 4.632 ( -3.940 1.359 -7.323) 8.426 5.105 ( 5.083 -0.052 13.144) 14.093 5.392 ( -6.486 -1.182 -0.755) 6.636 6.926 ( -6.884 -11.445 -21.617) 25.410 8.143 ( -0.740 6.514 -1.889) 6.822 9.381 ( 9.808 -0.457 13.701) 16.856 24.912 ( 2.108 -2.480 21.403) 21.650 27.408 ( -0.791 0.379 3.686) 3.789 29.701 ( -8.040 -1.901 -4.415) 9.367 34.847 ( 3.486 -1.771 -18.464) 18.874 94.424 ( 4.041 -9.423 23.835) 25.947 97.940 ( 14.807 10.725 -14.435) 23.295======================= Grid point 244 (89/399) =======================q-point: (-0.14 0.14 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 687Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.769 ( -0.000 10.795 23.536) 25.893 0.817 ( -0.000 24.549 6.366) 25.361 1.704 ( -0.000 37.250 31.212) 48.598 2.397 ( 0.000 -2.398 7.508) 7.882 3.717 ( 0.000 -6.667 4.681) 8.146 4.501 ( 0.000 -2.276 -2.122) 3.112 4.613 ( 0.000 -5.244 -9.491) 10.843 5.227 ( 0.000 -3.936 15.230) 15.730 5.273 ( -0.000 0.793 -2.322) 2.454 6.901 ( 0.000 -4.362 -21.726) 22.160 8.096 ( -0.000 2.841 0.572) 2.898 9.486 ( -0.000 0.652 11.481) 11.499 24.973 ( 0.000 -7.095 24.668) 25.668 27.398 ( -0.000 0.300 3.555) 3.568 29.613 ( -0.000 0.514 -3.169) 3.210 34.892 ( 0.000 -1.079 -19.504) 19.534 94.579 ( 0.000 -20.229 32.069) 37.916 98.039 ( -0.000 11.210 -23.035) 25.618======================= Grid point 249 (90/399) =======================q-point: ( 0.21 0.21 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 686Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.278 ( 20.374 -0.000 1.512) 20.430 2.817 ( 15.783 -0.000 0.680) 15.798 3.407 ( -4.510 0.000 -2.305) 5.065 3.812 ( -3.512 0.000 7.647) 8.415 3.911 ( -13.959 0.000 -1.170) 14.008 4.344 ( 3.347 -0.000 1.485) 3.662 4.881 ( 12.783 -0.000 3.723) 13.314 5.315 ( 1.702 -0.000 -2.195) 2.778 5.995 ( 16.264 -0.000 -4.232) 16.806 7.356 ( 3.126 -0.000 -2.940) 4.291 7.929 ( -16.434 0.000 -5.539) 17.342 8.347 ( 1.012 -0.000 0.462) 1.112 24.800 ( -0.269 0.000 15.457) 15.460 27.540 ( 1.237 -0.000 6.427) 6.545 30.258 ( 1.769 -0.000 -2.099) 2.745 34.391 ( -3.776 0.000 -15.548) 16.000 94.223 ( -0.518 0.000 8.971) 8.986 97.097 ( 0.961 -0.000 -3.121) 3.266======================= Grid point 250 (91/399) =======================q-point: ( 0.29 0.21 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.623 ( 16.479 -2.609 -0.733) 16.700 3.037 ( 7.871 0.243 1.510) 8.018 3.325 ( -4.535 -0.500 -1.969) 4.969 3.651 ( -12.569 3.915 -0.130) 13.165 3.731 ( -5.368 -0.021 8.347) 9.925 4.349 ( -0.687 0.127 -0.100) 0.705 5.091 ( 8.835 2.198 1.535) 9.233 5.355 ( 1.767 -2.121 -2.508) 3.730 6.220 ( 7.603 -2.617 -5.655) 9.830 7.294 ( -13.410 -0.531 -5.516) 14.510 7.755 ( 1.591 2.608 -1.528) 3.416 8.387 ( 3.063 -0.757 0.872) 3.274 24.798 ( 0.075 -0.021 15.137) 15.137 27.556 ( 0.470 -0.018 6.629) 6.645 30.273 ( -0.226 0.053 -1.951) 1.965 34.344 ( -1.404 -0.011 -15.437) 15.501 94.217 ( -0.140 0.009 8.228) 8.229 97.138 ( 3.529 -0.070 -3.308) 4.838======================= Grid point 251 (92/399) =======================q-point: (-0.64 0.21 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.889 ( 9.881 -2.301 -3.063) 10.597 3.058 ( -3.348 4.177 -0.158) 5.355 3.271 ( -3.829 -4.145 -0.479) 5.663 3.433 ( -6.731 5.223 3.172) 9.091 3.624 ( -6.686 -0.533 9.380) 11.531 4.351 ( 1.008 -0.040 -2.445) 2.645 5.133 ( -1.019 5.914 1.955) 6.312 5.401 ( 1.030 -3.132 -2.677) 4.247 6.296 ( -1.733 -2.020 -7.684) 8.132 6.971 ( -19.944 -3.519 -5.128) 20.891 7.878 ( 11.481 3.485 -0.825) 12.027 8.467 ( 5.261 -0.574 2.237) 5.746 24.803 ( 0.475 -0.011 14.959) 14.967 27.556 ( -0.432 0.086 6.509) 6.524 30.247 ( -2.642 0.039 -2.149) 3.406 34.344 ( 1.294 -0.380 -15.527) 15.586 94.217 ( 0.096 -0.018 7.951) 7.951 97.223 ( 6.094 0.734 -3.727) 7.181======================= Grid point 252 (93/399) =======================q-point: (-0.57 0.21 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.830 ( -9.884 9.787 -4.783) 14.709 3.032 ( -2.116 5.185 1.966) 5.935 3.203 ( -3.568 -5.610 -3.621) 7.571 3.354 ( -5.060 -1.929 7.569) 9.306 3.534 ( -1.455 -2.830 9.565) 10.081 4.357 ( -1.540 1.332 -5.054) 5.449 5.002 ( -6.771 7.026 5.334) 11.120 5.423 ( -1.466 -3.406 -2.315) 4.371 6.140 ( -13.360 7.795 -7.817) 17.330 6.735 ( -11.847 -14.258 -6.935) 19.793 8.069 ( 12.144 4.842 -1.326) 13.141 8.582 ( 7.033 -0.716 4.670) 8.472 24.815 ( 0.851 0.062 14.936) 14.960 27.540 ( -1.254 0.258 6.083) 6.216 30.178 ( -5.036 -0.116 -2.533) 5.639 34.395 ( 3.727 -0.997 -15.829) 16.292 94.221 ( 0.304 -0.102 8.128) 8.134 97.345 ( 8.457 2.161 -4.388) 9.770======================= Grid point 253 (94/399) =======================q-point: (-0.50 0.21 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.539 ( -12.812 13.984 -5.811) 19.837 2.823 ( -12.162 11.235 4.174) 17.075 3.139 ( -12.728 -1.249 8.947) 15.608 3.278 ( -1.184 -7.294 -0.495) 7.406 3.642 ( 6.826 -7.874 5.860) 11.956 4.195 ( -14.822 6.174 -5.272) 16.900 4.875 ( -1.884 3.154 8.461) 9.224 5.380 ( -6.623 -3.044 -1.274) 7.400 5.800 ( -13.402 12.006 -5.872) 18.927 6.695 ( -6.965 -18.696 -12.097) 23.332 8.227 ( 9.565 6.934 -1.827) 11.954 8.733 ( 8.857 -1.743 7.906) 12.000 24.832 ( 1.105 0.205 15.133) 15.175 27.509 ( -1.777 0.415 5.441) 5.739 30.071 ( -6.899 -0.523 -2.987) 7.536 34.487 ( 5.343 -1.663 -16.301) 17.235 94.230 ( 0.581 -0.332 8.861) 8.886 97.495 ( 10.494 3.881 -5.328) 12.392======================= Grid point 254 (95/399) =======================q-point: (-0.43 0.21 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.180 ( -14.679 17.771 -6.414) 23.925 2.453 ( -20.854 9.905 4.870) 23.595 2.868 ( -12.951 7.868 14.747) 21.145 3.335 ( -0.019 -9.657 -0.655) 9.679 3.732 ( -20.355 3.046 3.228) 20.833 3.882 ( 4.003 -3.870 -0.363) 5.579 4.862 ( 0.212 1.370 5.633) 5.801 5.212 ( -10.699 1.929 0.765) 10.899 5.571 ( -5.547 5.486 -3.619) 8.601 6.712 ( -5.971 -18.599 -17.102) 25.963 8.311 ( 5.956 9.159 -1.820) 11.076 8.924 ( 10.364 -3.097 11.137) 15.525 24.851 ( 1.199 0.335 15.680) 15.730 27.473 ( -1.866 0.488 4.727) 5.105 29.942 ( -7.898 -1.095 -3.433) 8.681 34.603 ( 5.807 -2.209 -16.872) 17.980 94.248 ( 0.987 -0.882 10.364) 10.448 97.667 ( 12.141 5.419 -6.677) 14.877======================= Grid point 255 (96/399) =======================q-point: (-0.36 0.21 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.760 ( -18.295 18.979 -5.230) 26.875 1.957 ( -24.330 11.239 7.499) 27.830 2.589 ( -8.816 15.018 15.954) 23.618 3.183 ( -25.938 9.359 5.976) 28.215 3.435 ( -0.400 -10.146 2.789) 10.530 4.091 ( 9.796 -7.836 -1.276) 12.610 4.799 ( -5.683 3.554 -3.479) 7.552 5.077 ( -1.874 0.801 9.136) 9.360 5.467 ( -5.097 -0.124 -2.186) 5.547 6.730 ( -5.876 -17.091 -21.154) 27.823 8.321 ( 2.985 10.768 -1.627) 11.292 9.139 ( 10.379 -4.163 14.057) 17.963 24.871 ( 1.183 0.207 16.777) 16.820 27.438 ( -1.516 0.471 4.095) 4.392 29.807 ( -7.876 -1.370 -3.741) 8.826 34.719 ( 5.061 -2.577 -17.492) 18.391 94.280 ( 1.475 -2.102 12.980) 13.232 97.855 ( 13.063 6.027 -8.805) 16.867======================= Grid point 256 (97/399) =======================q-point: (-0.29 0.21 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.260 ( -22.342 13.446 7.372) 27.098 1.495 ( -13.180 22.298 3.252) 26.105 2.363 ( -3.079 16.613 15.774) 23.115 2.668 ( -20.224 14.425 12.447) 27.785 3.519 ( 0.692 -10.840 3.433) 11.392 4.318 ( 9.595 -5.958 -3.310) 11.769 4.660 ( -6.329 2.309 -7.828) 10.328 5.093 ( 2.235 -1.833 13.066) 13.382 5.370 ( -6.444 -1.513 -1.587) 6.806 6.740 ( -4.863 -14.506 -23.441) 27.993 8.276 ( 0.921 11.591 -1.677) 11.748 9.340 ( 7.654 -5.069 16.215) 18.633 24.892 ( 1.020 -0.628 18.597) 18.635 27.414 ( -0.839 0.414 3.675) 3.792 29.685 ( -6.083 -0.572 -3.625) 7.104 34.814 ( 3.155 -2.810 -18.164) 18.649 94.331 ( 1.619 -4.595 16.984) 17.669 98.042 ( 11.070 4.751 -12.381) 17.274======================= Grid point 257 (98/399) =======================q-point: (-0.21 0.21 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 686Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.929 ( -0.000 11.867 19.821) 23.102 1.189 ( -0.000 27.873 0.230) 27.874 2.224 ( -0.000 37.119 24.985) 44.744 2.357 ( 0.000 -3.274 7.296) 7.997 3.600 ( 0.000 -10.004 4.212) 10.855 4.465 ( 0.000 -2.797 -1.878) 3.369 4.576 ( 0.000 -1.135 -11.962) 12.015 5.161 ( 0.000 -5.282 15.793) 16.653 5.285 ( -0.000 0.909 -2.496) 2.656 6.779 ( 0.000 -11.741 -23.475) 26.247 8.203 ( -0.000 10.965 -1.762) 11.106 9.453 ( 0.000 -4.838 16.332) 17.034 24.913 ( 0.000 -2.249 20.698) 20.820 27.403 ( -0.000 0.375 3.537) 3.557 29.621 ( -0.000 0.640 -3.194) 3.257 34.864 ( 0.000 -2.727 -18.742) 18.939 94.395 ( 0.000 -8.306 21.600) 23.142 98.133 ( -0.000 3.658 -16.481) 16.882======================= Grid point 264 (99/399) =======================q-point: ( 0.29 0.29 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 687Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.871 ( 11.665 -0.000 -3.026) 12.051 3.096 ( -1.957 0.000 1.012) 2.203 3.233 ( -5.148 0.000 -1.837) 5.466 3.473 ( -8.155 0.000 2.850) 8.639 3.620 ( -6.815 0.000 10.185) 12.254 4.351 ( 1.031 -0.000 -2.902) 3.080 5.179 ( -0.457 0.000 1.820) 1.877 5.376 ( 1.158 -0.000 -2.722) 2.958 6.278 ( 0.304 -0.000 -7.513) 7.520 6.948 ( -21.956 0.000 -5.201) 22.564 7.903 ( 11.307 -0.000 -0.716) 11.330 8.462 ( 5.383 -0.000 2.193) 5.812 24.803 ( 0.490 -0.000 14.938) 14.946 27.557 ( -0.390 0.000 6.511) 6.523 30.247 ( -2.668 0.000 -2.157) 3.431 34.341 ( 1.157 -0.000 -15.525) 15.568 94.217 ( 0.083 -0.000 7.904) 7.905 97.228 ( 6.406 -0.000 -3.747) 7.422======================= Grid point 265 (100/399) =======================q-point: (-0.64 0.29 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.952 ( -6.880 7.629 -4.032) 11.036 3.041 ( 1.304 -3.562 -3.748) 5.333 3.146 ( -5.687 -2.102 -0.547) 6.088 3.356 ( -5.201 1.040 7.995) 9.594 3.506 ( -4.661 -1.197 12.009) 12.938 4.369 ( -0.140 0.380 -6.034) 6.048 5.080 ( -8.144 3.355 4.590) 9.932 5.384 ( -1.372 -1.729 -2.273) 3.168 6.231 ( -5.188 4.471 -10.164) 12.256 6.577 ( -19.311 -7.235 -4.691) 21.149 8.118 ( 12.601 1.914 -0.894) 12.777 8.573 ( 6.602 -0.427 4.570) 8.041 24.816 ( 0.901 0.020 14.836) 14.864 27.542 ( -1.200 0.089 6.094) 6.211 30.177 ( -5.136 -0.023 -2.543) 5.731 34.385 ( 3.509 -0.361 -15.824) 16.212 94.220 ( 0.255 -0.031 7.932) 7.936 97.365 ( 8.944 0.734 -4.473) 10.027======================= Grid point 266 (101/399) =======================q-point: (-0.57 0.29 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1276Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.715 ( -10.939 11.297 -4.659) 16.401 2.905 ( -15.650 0.650 0.496) 15.672 3.131 ( -0.894 -2.798 -0.070) 2.938 3.225 ( -7.224 2.228 9.457) 12.107 3.541 ( 4.926 -6.439 8.503) 11.749 4.264 ( -12.034 3.548 -7.166) 14.448 4.920 ( -4.672 2.846 8.035) 9.721 5.336 ( -5.992 -2.758 -0.988) 6.669 5.981 ( -12.623 14.078 -7.390) 20.302 6.436 ( -8.138 -18.290 -11.369) 23.022 8.312 ( 11.019 4.745 -0.991) 12.039 8.706 ( 7.426 -1.836 7.842) 10.955 24.835 ( 1.191 0.117 14.880) 14.928 27.514 ( -1.752 0.222 5.458) 5.736 30.066 ( -7.071 -0.199 -2.951) 7.665 34.469 ( 5.112 -0.951 -16.297) 17.106 94.227 ( 0.442 -0.151 8.368) 8.381 97.535 ( 10.888 1.940 -5.486) 12.346======================= Grid point 267 (102/399) =======================q-point: (-0.50 0.29 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.400 ( -15.418 12.855 -4.157) 20.500 2.543 ( -20.969 4.886 4.373) 21.970 3.001 ( -8.283 9.879 11.090) 17.005 3.195 ( -1.417 -10.062 -0.742) 10.189 3.696 ( 2.465 -5.721 5.264) 8.155 3.919 ( -15.906 6.216 -1.716) 17.163 4.883 ( 0.674 1.649 5.963) 6.224 5.204 ( -10.171 -2.336 0.660) 10.456 5.684 ( -9.805 10.274 -4.668) 14.949 6.455 ( -4.742 -17.910 -18.006) 25.836 8.436 ( 7.701 8.411 -0.578) 11.419 8.871 ( 8.494 -4.346 11.203) 14.715 24.856 ( 1.265 0.273 15.150) 15.205 27.478 ( -1.889 0.327 4.740) 5.113 29.931 ( -7.953 -0.480 -3.278) 8.615 34.576 ( 5.590 -1.618 -16.865) 17.841 94.239 ( 0.671 -0.465 9.307) 9.343 97.725 ( 11.957 3.035 -6.820) 14.096======================= Grid point 268 (103/399) =======================q-point: (-0.43 0.29 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1276Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.943 ( -26.828 7.426 3.325) 28.035 2.153 ( -13.140 17.177 1.974) 21.716 2.743 ( -13.915 7.114 8.607) 17.842 3.247 ( -2.126 -8.969 0.546) 9.234 3.400 ( -15.755 13.074 8.996) 22.363 3.993 ( 10.592 -6.490 0.280) 12.425 4.846 ( -4.841 3.246 -1.751) 6.086 5.063 ( -5.058 -2.872 7.072) 9.157 5.488 ( -7.288 3.303 -2.755) 8.463 6.497 ( -3.784 -15.942 -22.802) 28.078 8.475 ( 4.391 11.153 0.136) 11.988 9.064 ( 8.473 -6.433 14.064) 17.634 24.875 ( 1.105 0.364 15.752) 15.795 27.444 ( -1.569 0.369 4.097) 4.402 29.794 ( -7.416 -0.547 -3.449) 8.197 34.685 ( 4.821 -2.260 -17.441) 18.235 94.258 ( 0.871 -1.128 10.860) 10.953 97.918 ( 11.636 3.222 -8.579) 14.812======================= Grid point 269 (104/399) =======================q-point: (-0.36 0.29 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.408 ( -23.852 8.659 11.360) 27.802 1.823 ( -7.540 23.735 0.382) 24.906 2.439 ( -14.757 -0.276 6.812) 16.255 3.002 ( -6.822 27.513 15.175) 32.153 3.357 ( 0.028 -12.120 2.772) 12.433 4.241 ( 11.753 -5.285 -1.899) 13.026 4.687 ( -9.153 1.362 -6.276) 11.181 5.054 ( 0.048 -3.479 11.475) 11.991 5.360 ( -5.632 0.193 -2.379) 6.117 6.540 ( -2.816 -13.919 -25.343) 29.050 8.447 ( 1.821 12.629 0.210) 12.761 9.249 ( 5.945 -7.796 16.380) 19.090 24.890 ( 0.721 0.177 16.748) 16.765 27.419 ( -0.879 0.370 3.662) 3.785 29.681 ( -5.002 -0.004 -3.386) 6.040 34.774 ( 2.890 -2.827 -17.953) 18.402 94.285 ( 0.799 -2.299 13.049) 13.274 98.086 ( 8.471 2.003 -10.856) 13.914======================= Grid point 270 (105/399) =======================q-point: (-0.29 0.29 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 687Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.090 ( -0.000 11.040 17.398) 20.605 1.572 ( -0.000 26.869 -0.352) 26.872 2.308 ( 0.000 -3.716 6.974) 7.902 2.723 ( -0.000 34.250 19.369) 39.348 3.444 ( 0.000 -12.192 3.286) 12.627 4.426 ( 0.000 -2.768 -1.622) 3.208 4.561 ( 0.000 -1.529 -9.844) 9.962 5.088 ( 0.000 -4.935 13.711) 14.572 5.297 ( -0.000 0.834 -2.669) 2.796 6.603 ( 0.000 -13.015 -25.454) 28.588 8.373 ( -0.000 12.963 -0.522) 12.973 9.363 ( 0.000 -7.857 17.397) 19.088 24.897 ( 0.000 -0.343 17.928) 17.931 27.409 ( -0.000 0.375 3.518) 3.538 29.630 ( -0.000 0.640 -3.221) 3.284 34.822 ( 0.000 -3.135 -18.285) 18.552 94.315 ( 0.000 -3.815 15.476) 15.939 98.162 ( -0.000 1.046 -12.942) 12.984======================= Grid point 279 (106/399) =======================q-point: (-0.64 0.36 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 686Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.827 ( -9.574 0.000 -2.586) 9.917 2.876 ( -15.724 0.000 -2.964) 16.001 3.097 ( -2.176 0.000 -0.549) 2.245 3.266 ( -5.636 0.000 10.040) 11.514 3.486 ( 3.987 -0.000 10.169) 10.923 4.290 ( -10.755 0.000 -7.750) 13.257 4.942 ( -5.925 0.000 7.851) 9.836 5.315 ( -5.930 0.000 -0.918) 6.001 6.183 ( -19.096 0.000 -3.191) 19.361 6.204 ( -1.528 0.000 -15.798) 15.872 8.347 ( 11.791 -0.000 -0.705) 11.813 8.691 ( 6.634 -0.000 7.770) 10.217 24.835 ( 1.224 -0.000 14.792) 14.843 27.515 ( -1.743 0.000 5.463) 5.735 30.065 ( -7.122 0.000 -2.944) 7.706 34.462 ( 5.026 -0.000 -16.294) 17.052 94.226 ( 0.399 -0.000 8.203) 8.212 97.549 ( 10.997 -0.000 -5.535) 12.311======================= Grid point 281 (107/399) =======================q-point: (-0.57 0.36 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.498 ( -23.879 2.049 1.953) 24.047 2.632 ( -10.429 6.175 -0.386) 12.126 3.069 ( -2.621 -5.226 -0.501) 5.867 3.114 ( -10.303 3.731 8.276) 13.731 3.628 ( 8.897 -3.088 6.024) 11.180 3.990 ( -18.210 2.997 -1.945) 18.557 4.903 ( 0.972 0.957 6.500) 6.641 5.170 ( -10.503 -1.721 0.499) 10.654 5.828 ( -14.741 8.483 -3.780) 17.423 6.240 ( -1.000 -10.995 -19.934) 22.787 8.529 ( 9.536 4.149 -0.198) 10.402 8.816 ( 6.470 -2.746 11.354) 13.353 24.858 ( 1.320 0.104 14.877) 14.936 27.482 ( -1.900 0.115 4.747) 5.114 29.927 ( -7.954 -0.126 -3.226) 8.584 34.560 ( 5.458 -0.592 -16.858) 17.729 94.234 ( 0.535 -0.143 8.796) 8.813 97.753 ( 11.757 0.969 -6.864) 13.648======================= Grid point 282 (108/399) =======================q-point: (-0.50 0.36 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.006 ( -27.950 2.513 6.939) 28.907 2.385 ( -8.636 14.593 0.903) 16.981 2.805 ( -20.383 2.542 5.359) 21.228 3.094 ( -1.509 -10.699 -0.230) 10.808 3.609 ( -8.358 14.284 7.520) 18.178 3.904 ( 10.051 -6.497 2.070) 12.146 4.891 ( -4.911 3.290 0.589) 5.941 5.006 ( -6.188 -4.795 5.273) 9.439 5.549 ( -10.955 4.694 -2.985) 12.286 6.304 ( -0.622 -10.980 -24.318) 26.689 8.621 ( 5.892 9.357 1.212) 11.124 8.968 ( 6.454 -6.976 13.865) 16.809 24.880 ( 1.126 0.255 15.153) 15.197 27.448 ( -1.601 0.202 4.097) 4.403 29.790 ( -7.143 -0.162 -3.346) 7.889 34.659 ( 4.652 -1.306 -17.407) 18.065 94.247 ( 0.606 -0.489 9.724) 9.755 97.949 ( 10.655 1.381 -8.387) 13.630======================= Grid point 283 (109/399) =======================q-point: (-0.43 0.36 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.507 ( -22.307 5.590 12.228) 26.046 2.133 ( -5.387 20.330 1.505) 21.086 2.421 ( -18.616 -1.512 5.440) 19.454 3.157 ( -0.586 -11.706 1.040) 11.767 3.385 ( -2.471 21.888 12.004) 25.086 4.168 ( 13.382 -5.294 -0.105) 14.392 4.692 ( -12.767 -0.742 -2.476) 13.026 5.008 ( 0.377 -2.735 8.043) 8.504 5.372 ( -6.335 1.293 -2.679) 6.999 6.366 ( -0.765 -10.570 -26.936) 28.946 8.620 ( 2.564 12.099 2.196) 12.561 9.129 ( 4.539 -9.272 15.596) 18.703 24.894 ( 0.663 0.340 15.650) 15.668 27.424 ( -0.908 0.255 3.652) 3.772 29.683 ( -4.460 0.141 -3.317) 5.560 34.739 ( 2.721 -2.045 -17.840) 18.162 94.262 ( 0.480 -1.089 10.934) 10.998 98.104 ( 6.959 0.761 -9.962) 12.176======================= Grid point 284 (110/399) =======================q-point: (-0.36 0.36 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 686Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.229 ( -0.000 8.716 16.077) 18.288 1.927 ( -0.000 23.862 1.045) 23.885 2.257 ( 0.000 -3.467 6.550) 7.411 3.150 ( -0.000 22.311 11.931) 25.300 3.278 ( 0.000 -7.073 4.703) 8.494 4.391 ( 0.000 -2.209 -1.400) 2.615 4.522 ( 0.000 -4.287 -4.453) 6.181 5.032 ( 0.000 -3.090 9.752) 10.230 5.307 ( -0.000 0.622 -2.810) 2.878 6.432 ( 0.000 -11.203 -27.267) 29.479 8.554 ( -0.000 12.996 1.722) 13.109 9.240 ( 0.000 -9.665 16.712) 19.306 24.898 ( -0.000 0.277 16.279) 16.281 27.413 ( -0.000 0.301 3.500) 3.513 29.638 ( -0.000 0.513 -3.246) 3.286 34.781 ( 0.000 -2.640 -18.059) 18.251 94.278 ( 0.000 -1.827 12.200) 12.337 98.169 ( -0.000 0.136 -11.120) 11.120======================= Grid point 295 (111/399) =======================q-point: (-0.57 0.43 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 687Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.023 ( -27.601 0.000 7.619) 28.634 2.503 ( -7.507 0.000 1.520) 7.660 2.822 ( -22.627 0.000 4.647) 23.099 3.004 ( -2.051 0.000 -0.910) 2.244 3.747 ( -8.579 0.000 5.334) 10.102 3.825 ( 13.174 -0.000 3.916) 13.744 4.941 ( -13.888 0.000 1.183) 13.939 4.943 ( 2.410 -0.000 5.080) 5.622 5.588 ( -13.448 0.000 -2.662) 13.709 6.222 ( 1.552 -0.000 -25.335) 25.383 8.702 ( 7.422 -0.000 0.315) 7.429 8.904 ( 4.721 -0.000 15.018) 15.743 24.881 ( 1.143 -0.000 14.956) 14.999 27.450 ( -1.612 0.000 4.097) 4.403 29.789 ( -7.056 0.000 -3.321) 7.798 34.650 ( 4.593 -0.000 -17.396) 17.992 94.244 ( 0.530 -0.000 9.368) 9.383 97.958 ( 10.317 -0.000 -8.317) 13.252======================= Grid point 297 (112/399) =======================q-point: (-0.50 0.43 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.560 ( -21.059 1.984 12.521) 24.581 2.356 ( -5.304 9.268 3.260) 11.165 2.408 ( -19.204 0.313 5.171) 19.890 3.004 ( -0.992 -7.737 -0.622) 7.825 3.628 ( -1.482 10.702 8.589) 13.803 4.100 ( 15.047 -3.726 1.979) 15.628 4.675 ( -15.460 -1.038 1.108) 15.535 4.984 ( 1.457 -0.798 5.032) 5.299 5.388 ( -7.740 0.763 -2.757) 8.252 6.261 ( 0.816 -4.099 -28.000) 28.310 8.772 ( 3.575 8.599 2.136) 9.555 9.003 ( 3.172 -7.679 16.177) 18.186 24.898 ( 0.664 0.152 15.137) 15.152 27.426 ( -0.923 0.091 3.646) 3.762 29.684 ( -4.238 0.069 -3.300) 5.371 34.719 ( 2.640 -0.743 -17.793) 18.003 94.253 ( 0.362 -0.323 10.007) 10.019 98.111 ( 6.272 0.189 -9.557) 11.433======================= Grid point 298 (113/399) =======================q-point: (-0.43 0.43 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 687Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.325 ( -0.000 4.938 15.542) 16.308 2.216 ( 0.000 -2.210 6.123) 6.509 2.220 ( -0.000 17.437 3.230) 17.734 3.066 ( 0.000 -11.925 0.304) 11.929 3.516 ( -0.000 18.629 10.532) 21.400 4.367 ( 0.000 -1.224 -1.250) 1.750 4.447 ( 0.000 -5.843 1.775) 6.106 5.003 ( 0.000 -1.102 6.008) 6.108 5.314 ( -0.000 0.329 -2.901) 2.920 6.304 ( 0.000 -6.667 -28.619) 29.385 8.728 ( -0.000 11.828 3.299) 12.279 9.100 ( 0.000 -10.227 15.951) 18.948 24.902 ( -0.000 0.275 15.402) 15.404 27.417 ( -0.000 0.167 3.488) 3.492 29.644 ( -0.000 0.285 -3.263) 3.276 34.752 ( 0.000 -1.495 -17.959) 18.021 94.260 ( 0.000 -0.754 10.590) 10.617 98.169 ( 0.000 -0.071 -10.243) 10.243======================= Grid point 312 (114/399) =======================q-point: ( 0.50 -0.50 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 374Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.360 ( -0.000 0.000 15.431) 15.431 2.200 ( -0.000 0.000 5.927) 5.927 2.358 ( -0.000 0.000 4.938) 4.938 2.966 ( 0.000 -0.000 -1.094) 1.094 3.657 ( -0.000 0.000 8.236) 8.236 4.358 ( -0.000 0.000 -1.197) 1.197 4.396 ( -0.000 0.000 4.935) 4.935 4.996 ( -0.000 0.000 4.627) 4.627 5.316 ( -0.000 0.000 -2.932) 2.932 6.257 ( -0.000 0.000 -29.153) 29.153 8.843 ( -0.000 0.000 0.940) 0.940 8.996 ( 0.000 -0.000 18.555) 18.555 24.904 ( -0.000 0.000 15.125) 15.125 27.418 ( -0.000 0.000 3.484) 3.484 29.646 ( -0.000 0.000 -3.270) 3.270 34.741 ( -0.000 0.000 -17.931) 17.931 94.255 ( -0.000 0.000 10.104) 10.104 98.169 ( -0.000 0.000 -9.981) 9.981======================= Grid point 406 (115/399) =======================q-point: ( 0.00 0.00 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 399Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.167 ( 0.000 0.000 28.981) 28.981 1.207 ( 0.000 0.000 32.659) 32.659 1.777 ( 0.000 0.000 42.739) 42.739 2.637 ( 0.000 0.000 13.112) 13.112 3.901 ( 0.000 0.000 7.255) 7.255 4.468 ( 0.000 0.000 -4.519) 4.519 4.828 ( 0.000 0.000 -7.145) 7.145 5.197 ( 0.000 0.000 -2.617) 2.617 5.198 ( 0.000 0.000 -4.305) 4.305 6.769 ( 0.000 0.000 1.741) 1.741 8.488 ( 0.000 0.000 7.708) 7.708 9.181 ( 0.000 0.000 -5.393) 5.393 25.663 ( 0.000 0.000 24.880) 24.880 27.496 ( 0.000 0.000 6.919) 6.919 29.514 ( 0.000 0.000 -6.164) 6.164 34.373 ( 0.000 0.000 -32.832) 32.832 95.705 ( 0.000 0.000 3.000) 3.000 97.198 ( 0.000 0.000 -7.562) 7.562======================= Grid point 407 (116/399) =======================q-point: ( 0.07 0.00 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.099 ( 1.160 10.657 29.446) 31.336 1.289 ( 5.663 -12.781 28.342) 31.602 2.070 ( 23.143 -8.293 36.329) 43.866 2.800 ( 17.008 0.402 11.221) 20.380 3.875 ( -2.200 1.084 6.565) 7.008 4.504 ( 4.033 0.600 -3.575) 5.423 4.746 ( -2.967 12.891 -6.384) 14.688 5.216 ( 1.014 -0.411 -0.150) 1.104 5.233 ( -0.301 -8.776 -2.785) 9.212 6.821 ( 5.687 2.139 -4.282) 7.433 8.424 ( -0.696 14.098 7.139) 15.818 9.146 ( -9.721 -15.198 -4.276) 18.541 25.565 ( -7.617 2.625 29.183) 30.275 27.507 ( 1.126 -0.093 7.173) 7.262 29.606 ( 8.601 0.453 -8.955) 12.424 34.354 ( -2.166 -0.019 -32.817) 32.889 95.406 ( -21.512 12.171 15.688) 29.275 97.221 ( -2.656 -10.058 -8.892) 13.685======================= Grid point 408 (117/399) =======================q-point: ( 0.14 0.00 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1276Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.176 ( 12.937 3.833 19.565) 23.766 1.562 ( 11.778 -18.778 21.282) 30.729 2.600 ( 29.085 -4.755 27.840) 40.541 3.171 ( 21.680 -0.179 6.711) 22.695 3.822 ( -1.601 2.561 6.117) 6.822 4.540 ( -2.246 14.481 -4.470) 15.321 4.641 ( 5.648 1.316 -3.136) 6.593 5.211 ( -2.419 -0.901 7.228) 7.675 5.289 ( -0.605 -9.281 -3.533) 9.949 6.910 ( 6.351 4.681 -11.189) 13.691 8.302 ( -1.337 14.567 4.077) 15.186 9.045 ( -13.641 -16.883 -2.289) 21.826 25.421 ( -5.834 1.905 31.810) 32.396 27.537 ( 2.105 -0.237 7.894) 8.174 29.763 ( 8.918 1.428 -9.822) 13.343 34.296 ( -4.058 0.505 -32.506) 32.762 94.970 ( -16.510 8.655 23.170) 29.738 97.220 ( -4.979 -9.574 -8.852) 13.957======================= Grid point 409 (118/399) =======================q-point: ( 0.21 0.00 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.471 ( 17.842 -5.391 10.047) 21.174 1.944 ( 15.564 -17.962 14.246) 27.710 3.143 ( 28.417 0.700 19.303) 34.360 3.474 ( 8.576 -0.924 0.467) 8.638 3.829 ( 6.547 3.534 7.882) 10.839 4.338 ( -6.230 15.300 -3.668) 16.922 4.844 ( 14.626 -1.747 -1.667) 14.824 5.149 ( -4.841 -1.904 9.981) 11.255 5.337 ( -0.738 -7.888 -3.902) 8.831 6.980 ( 5.873 6.553 -13.095) 15.777 8.177 ( -3.183 10.211 -0.154) 10.697 8.897 ( -14.108 -13.389 -0.369) 19.454 25.331 ( -3.309 0.970 31.201) 31.391 27.584 ( 2.758 -0.407 8.965) 9.388 29.903 ( 7.770 1.533 -8.157) 11.369 34.205 ( -5.210 1.103 -31.891) 32.333 94.700 ( -9.022 4.582 21.312) 23.592 97.183 ( -5.454 -7.429 -8.113) 12.278======================= Grid point 410 (119/399) =======================q-point: ( 0.29 0.00 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1276Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.859 ( 18.464 -10.333 4.634) 21.660 2.347 ( 16.016 -14.846 9.134) 23.672 3.465 ( 1.253 2.527 0.120) 2.823 3.608 ( 16.694 6.595 10.471) 20.781 3.966 ( 6.017 4.188 1.849) 7.560 4.150 ( -1.634 7.099 3.119) 7.924 5.004 ( -3.448 0.144 9.515) 10.121 5.241 ( 16.463 -5.519 -3.664) 17.746 5.381 ( 1.424 -6.347 -3.736) 7.502 7.037 ( 6.058 7.830 -12.805) 16.186 8.037 ( -6.479 5.666 -3.026) 9.123 8.734 ( -12.448 -9.418 1.191) 15.654 25.280 ( -1.906 0.498 30.160) 30.225 27.639 ( 2.906 -0.523 10.191) 10.610 30.023 ( 6.575 1.122 -6.331) 9.196 34.100 ( -5.357 1.410 -31.149) 31.638 94.558 ( -4.635 2.369 18.293) 19.019 97.133 ( -4.850 -5.484 -7.410) 10.417======================= Grid point 411 (120/399) =======================q-point: ( 0.36 0.00 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.260 ( 17.217 -11.671 1.555) 20.858 2.709 ( 13.694 -10.894 5.761) 18.422 3.406 ( -3.245 3.265 -2.188) 5.097 3.735 ( 0.819 10.508 3.306) 11.047 3.878 ( -1.126 8.401 5.132) 9.908 4.285 ( 9.559 -1.810 4.824) 10.859 4.936 ( -2.455 -1.889 8.112) 8.683 5.378 ( -0.139 -3.828 -5.442) 6.655 5.682 ( 20.140 -6.039 -6.268) 21.940 7.091 ( 6.364 8.894 -12.838) 16.865 7.863 ( -9.805 1.501 -2.507) 10.231 8.590 ( -9.155 -5.804 1.749) 10.980 25.251 ( -1.121 0.279 29.422) 29.445 27.692 ( 2.438 -0.502 11.332) 11.602 30.122 ( 4.934 0.636 -5.025) 7.071 34.000 ( -4.406 1.293 -30.443) 30.787 94.485 ( -2.282 1.205 16.171) 16.376 97.088 ( -3.572 -3.685 -6.869) 8.575======================= Grid point 412 (121/399) =======================q-point: ( 0.43 0.00 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1276Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.626 ( 14.326 -10.660 -0.437) 17.863 2.960 ( 6.346 -4.756 2.390) 8.283 3.331 ( -1.157 3.859 -1.134) 4.185 3.569 ( -8.196 6.594 1.415) 10.614 3.870 ( 2.264 4.310 9.212) 10.419 4.379 ( 0.915 0.780 2.881) 3.122 4.967 ( 3.181 -2.288 4.299) 5.816 5.391 ( -0.494 -1.983 -5.592) 5.954 6.038 ( 13.640 -4.828 -9.785) 17.467 7.136 ( 5.063 8.275 -14.897) 17.778 7.683 ( -9.215 -1.576 2.144) 9.591 8.492 ( -4.900 -2.699 1.384) 5.763 25.234 ( -0.541 0.136 29.021) 29.026 27.730 ( 1.395 -0.310 12.141) 12.225 30.188 ( 2.676 0.263 -4.296) 5.068 33.930 ( -2.489 0.770 -29.934) 30.047 94.452 ( -0.936 0.513 15.008) 15.046 97.058 ( -1.882 -1.870 -6.531) 7.049======================= Grid point 413 (122/399) =======================q-point: (-0.50 0.00 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 650Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.866 ( 0.000 -0.000 -0.959) 0.959 2.962 ( 0.000 -0.000 -1.940) 1.940 3.352 ( 0.000 -0.000 2.704) 2.704 3.426 ( -0.000 0.000 2.200) 2.200 3.876 ( 0.000 -0.000 9.134) 9.134 4.372 ( 0.000 -0.000 2.370) 2.370 5.015 ( 0.000 -0.000 2.520) 2.520 5.392 ( 0.000 -0.000 -5.701) 5.701 6.188 ( 0.000 -0.000 -11.618) 11.618 7.153 ( 0.000 -0.000 -17.272) 17.272 7.597 ( -0.000 -0.000 6.255) 6.255 8.456 ( 0.000 -0.000 1.088) 1.088 25.229 ( 0.000 -0.000 28.896) 28.896 27.744 ( 0.000 -0.000 12.435) 12.435 30.212 ( 0.000 -0.000 -4.067) 4.067 33.904 ( 0.000 -0.000 -29.748) 29.748 94.442 ( 0.000 -0.000 14.642) 14.642 97.047 ( 0.000 -0.000 -6.416) 6.416======================= Grid point 422 (123/399) =======================q-point: ( 0.07 0.07 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 686Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.289 ( 6.621 -0.000 27.997) 28.770 1.345 ( 16.119 -0.000 17.924) 24.106 2.567 ( 31.840 -0.000 27.437) 42.031 3.170 ( 21.379 -0.000 6.598) 22.374 3.839 ( -1.535 0.000 6.324) 6.508 4.614 ( 8.240 -0.000 -1.975) 8.473 4.705 ( -6.615 0.000 -6.611) 9.352 5.196 ( 0.141 -0.000 -2.875) 2.878 5.207 ( -2.351 0.000 7.233) 7.606 6.939 ( 5.953 -0.000 -9.218) 10.973 8.459 ( -1.546 0.000 5.989) 6.185 8.876 ( -13.029 0.000 -6.016) 14.350 25.435 ( -6.610 0.000 31.814) 32.494 27.536 ( 2.081 -0.000 7.898) 8.168 29.774 ( 8.931 -0.000 -10.487) 13.775 34.299 ( -3.918 0.000 -32.302) 32.539 95.037 ( -19.958 0.000 23.001) 30.453 97.146 ( -2.610 0.000 -7.132) 7.595======================= Grid point 423 (124/399) =======================q-point: ( 0.14 0.07 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.452 ( 13.817 1.482 19.348) 23.821 1.736 ( 20.229 -10.009 10.774) 25.010 3.151 ( 31.933 0.345 19.393) 37.362 3.464 ( 8.545 -0.394 0.488) 8.568 3.860 ( 5.373 1.043 8.529) 10.134 4.526 ( -8.651 9.265 -5.663) 13.884 4.824 ( 14.878 -1.056 -1.706) 15.013 5.133 ( -5.477 -0.253 10.677) 12.003 5.227 ( 0.237 -6.113 -3.048) 6.834 7.030 ( 4.819 1.316 -10.048) 11.221 8.364 ( -3.103 14.118 1.503) 14.533 8.692 ( -13.299 -14.327 -5.275) 20.247 25.340 ( -3.820 0.392 31.524) 31.757 27.580 ( 2.730 -0.149 8.961) 9.369 29.919 ( 7.451 0.645 -8.765) 11.522 34.215 ( -5.128 0.351 -31.743) 32.156 94.748 ( -11.338 1.955 22.129) 24.941 97.105 ( -3.307 -3.110 -6.886) 8.248======================= Grid point 424 (125/399) =======================q-point: ( 0.21 0.07 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.751 ( 17.229 -5.074 11.574) 21.367 2.173 ( 20.244 -9.401 6.054) 23.127 3.491 ( -1.026 1.228 -1.241) 2.025 3.681 ( 24.540 3.915 11.823) 27.520 3.982 ( 7.111 -0.555 7.927) 10.663 4.289 ( -9.202 10.326 -3.430) 14.251 5.010 ( -5.251 0.733 10.171) 11.470 5.173 ( 17.179 -4.018 -3.403) 17.967 5.287 ( 3.001 -6.426 -2.972) 7.690 7.102 ( 4.695 2.158 -9.308) 10.646 8.172 ( -7.244 13.077 -4.754) 15.686 8.576 ( -10.517 -13.194 -1.193) 16.915 25.286 ( -2.153 0.303 30.516) 30.594 27.633 ( 2.919 -0.302 10.175) 10.589 30.037 ( 6.175 0.738 -6.625) 9.087 34.115 ( -5.455 0.739 -31.080) 31.563 94.586 ( -5.854 1.519 19.101) 20.036 97.069 ( -3.167 -3.434 -6.606) 8.091======================= Grid point 425 (126/399) =======================q-point: ( 0.29 0.07 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.117 ( 17.570 -8.519 5.879) 20.392 2.578 ( 17.656 -7.602 3.533) 19.545 3.433 ( -3.544 1.035 -1.886) 4.146 3.884 ( 2.414 10.022 5.875) 11.865 3.999 ( -5.517 8.173 1.228) 9.937 4.254 ( 11.201 -2.314 5.424) 12.658 4.920 ( -2.837 -0.455 8.521) 8.993 5.308 ( 0.377 -5.702 -4.630) 7.354 5.609 ( 20.487 -4.423 -5.467) 21.660 7.171 ( 4.910 2.988 -9.524) 11.124 7.933 ( -10.805 7.982 -5.741) 14.609 8.492 ( -6.902 -8.066 0.644) 10.636 25.254 ( -1.256 0.196 29.698) 29.726 27.686 ( 2.534 -0.368 11.307) 11.593 30.130 ( 4.619 0.537 -5.085) 6.890 34.016 ( -4.725 0.864 -30.427) 30.804 94.501 ( -2.945 0.931 16.733) 17.016 97.042 ( -2.138 -2.789 -6.359) 7.265======================= Grid point 426 (127/399) =======================q-point: ( 0.36 0.07 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.482 ( 15.512 -9.538 1.943) 18.313 2.894 ( 11.935 -4.234 2.034) 12.826 3.365 ( -2.715 1.052 -1.425) 3.241 3.689 ( -10.321 10.059 -0.521) 14.422 3.932 ( -0.409 4.167 9.427) 10.315 4.385 ( 1.332 0.181 3.230) 3.499 4.952 ( 5.348 -0.031 4.621) 7.068 5.346 ( 0.081 -4.233 -5.007) 6.558 5.967 ( 14.586 -5.086 -8.667) 17.712 7.219 ( 1.657 3.408 -13.244) 13.776 7.701 ( -8.698 4.074 -0.199) 9.607 8.444 ( -3.014 -4.084 0.875) 5.151 25.236 ( -0.654 0.094 29.174) 29.181 27.726 ( 1.580 -0.279 12.121) 12.227 30.192 ( 2.479 0.295 -4.272) 4.948 33.939 ( -3.003 0.597 -29.938) 30.094 94.459 ( -1.357 0.451 15.296) 15.363 97.033 ( -0.526 -1.631 -6.270) 6.500======================= Grid point 427 (128/399) =======================q-point: ( 0.43 0.07 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.787 ( 10.285 -8.127 -0.707) 13.127 3.001 ( -1.459 3.283 -0.910) 3.706 3.369 ( 4.300 -0.448 1.519) 4.582 3.451 ( -9.237 5.506 1.666) 10.882 3.888 ( -2.405 1.483 9.615) 10.021 4.369 ( -1.372 -0.465 2.080) 2.535 5.033 ( 3.046 2.556 2.335) 4.612 5.374 ( 0.496 -2.541 -5.419) 6.005 6.166 ( 3.249 -2.956 -11.272) 12.098 7.142 ( -8.609 -1.360 -15.907) 18.139 7.628 ( 3.910 4.118 4.691) 7.366 8.447 ( 1.500 -1.244 1.058) 2.217 25.229 ( -0.114 -0.026 28.901) 28.901 27.744 ( 0.231 -0.038 12.431) 12.434 30.212 ( -0.142 0.089 -4.070) 4.074 33.904 ( -0.615 -0.018 -29.747) 29.753 94.442 ( -0.354 0.022 14.644) 14.648 97.047 ( 1.361 -0.099 -6.403) 6.547======================= Grid point 428 (129/399) =======================q-point: (-0.50 0.07 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.764 ( -11.760 8.600 -2.030) 14.710 3.003 ( 1.671 0.596 0.472) 1.836 3.290 ( -3.887 -0.248 0.844) 3.985 3.501 ( 6.630 -3.796 2.882) 8.165 3.824 ( -4.603 -1.898 9.569) 10.787 4.362 ( -0.991 -1.685 1.779) 2.643 5.015 ( -1.422 4.590 3.598) 6.003 5.398 ( 0.732 -0.904 -5.602) 5.721 6.094 ( -11.099 3.020 -10.922) 15.861 7.006 ( -9.497 -9.711 -13.895) 19.431 7.734 ( 10.066 5.135 2.064) 11.487 8.517 ( 6.147 0.987 1.857) 6.496 25.232 ( 0.427 -0.158 28.862) 28.865 27.734 ( -1.188 0.268 12.157) 12.218 30.185 ( -2.868 -0.149 -4.336) 5.201 33.919 ( 1.905 -0.797 -29.925) 29.997 94.445 ( 0.511 -0.464 14.701) 14.717 97.083 ( 3.286 1.700 -6.783) 7.727======================= Grid point 429 (130/399) =======================q-point: (-0.43 0.07 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.431 ( -16.002 12.528 -1.585) 20.385 2.868 ( -9.519 11.453 6.449) 16.228 3.333 ( 2.818 -7.157 -2.862) 8.206 3.616 ( -1.078 -6.220 3.970) 7.457 3.778 ( -0.840 -5.686 7.408) 9.376 4.300 ( -7.725 0.256 2.849) 8.237 4.973 ( 1.271 3.531 7.377) 8.276 5.407 ( -0.082 0.398 -5.575) 5.590 5.773 ( -18.877 6.792 -7.624) 21.462 6.931 ( -8.416 -13.573 -14.465) 21.547 7.888 ( 10.098 4.464 -0.557) 11.055 8.652 ( 10.168 3.024 2.968) 11.016 25.247 ( 0.980 -0.306 29.088) 29.106 27.699 ( -2.317 0.517 11.358) 11.604 30.113 ( -5.254 -0.527 -4.995) 7.269 33.981 ( 3.975 -1.491 -30.451) 30.746 94.469 ( 1.595 -1.176 15.511) 15.638 97.140 ( 5.080 3.671 -7.421) 9.714======================= Grid point 430 (131/399) =======================q-point: (-0.36 0.07 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.030 ( -17.870 14.042 -0.378) 22.730 2.566 ( -12.757 15.995 9.874) 22.717 3.418 ( -1.842 -4.649 0.754) 5.057 3.504 ( -11.610 -7.670 9.144) 16.651 3.876 ( 1.587 -6.797 -1.276) 7.096 4.109 ( -9.661 -0.363 6.748) 11.790 5.006 ( 1.922 0.568 9.132) 9.349 5.315 ( -13.471 4.524 -4.508) 14.908 5.458 ( -3.667 5.194 -4.178) 7.608 6.879 ( -8.182 -14.425 -16.125) 23.131 8.021 ( 7.324 2.973 -1.019) 7.970 8.836 ( 13.230 5.202 3.549) 14.652 25.273 ( 1.626 -0.547 29.654) 29.703 27.647 ( -2.886 0.618 10.213) 10.631 30.007 ( -7.002 -1.078 -6.033) 9.305 34.076 ( 5.150 -1.878 -31.216) 31.693 94.524 ( 3.295 -2.443 17.213) 17.695 97.213 ( 6.622 5.811 -8.351) 12.139======================= Grid point 431 (132/399) =======================q-point: (-0.29 0.07 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.605 ( -18.189 13.532 2.868) 22.851 2.201 ( -14.169 18.287 13.535) 26.802 3.136 ( -22.713 -0.245 19.034) 29.635 3.482 ( -5.729 -0.442 0.086) 5.746 3.766 ( -10.059 -4.795 6.003) 12.658 4.146 ( 4.516 -11.697 -0.675) 12.557 4.872 ( -13.904 2.330 -1.139) 14.144 5.183 ( 3.106 2.967 8.346) 9.387 5.421 ( 0.337 4.125 -3.999) 5.755 6.834 ( -8.010 -14.396 -17.239) 23.845 8.110 ( 4.102 0.615 0.806) 4.225 9.046 ( 14.900 7.917 3.201) 17.174 25.316 ( 2.608 -1.128 30.594) 30.726 27.591 ( -2.808 0.560 8.972) 9.418 29.880 ( -8.114 -1.648 -7.364) 11.081 34.185 ( 5.235 -1.836 -32.070) 32.546 94.631 ( 6.145 -5.007 19.871) 21.393 97.295 ( 7.819 8.306 -9.693) 14.969======================= Grid point 432 (133/399) =======================q-point: (-0.21 0.07 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.219 ( -14.373 9.689 11.108) 20.588 1.815 ( -14.841 16.772 17.982) 28.721 2.698 ( -21.313 8.952 27.780) 36.140 3.181 ( -22.263 1.728 7.487) 23.551 3.761 ( 1.608 -6.481 5.305) 8.529 4.321 ( 4.199 -14.542 -4.101) 15.682 4.646 ( -8.959 1.206 -3.109) 9.559 5.228 ( 2.112 1.487 7.173) 7.624 5.394 ( 0.210 5.104 -3.071) 5.960 6.789 ( -7.647 -13.102 -15.553) 21.726 8.168 ( 1.606 -3.406 4.017) 5.505 9.249 ( 14.588 11.491 1.728) 18.651 25.388 ( 4.216 -2.575 31.543) 31.928 27.542 ( -2.170 0.409 7.886) 8.189 29.740 ( -8.728 -1.776 -8.494) 12.307 34.283 ( 4.271 -1.361 -32.876) 33.180 94.830 ( 10.426 -10.468 22.608) 27.008 97.375 ( 8.409 11.567 -11.790) 18.534======================= Grid point 433 (134/399) =======================q-point: (-0.14 0.07 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.023 ( -1.312 1.228 24.617) 24.683 1.449 ( -14.855 10.077 23.567) 29.624 2.280 ( -13.040 20.302 35.700) 43.090 2.792 ( -17.812 -0.558 11.511) 21.215 3.840 ( 2.230 -4.353 6.035) 7.768 4.465 ( -0.238 -8.304 -4.091) 9.260 4.551 ( -1.671 -8.443 -5.331) 10.124 5.224 ( -1.375 0.738 -0.308) 1.590 5.360 ( 0.535 7.067 -1.164) 7.183 6.744 ( -5.755 -9.639 -8.910) 14.333 8.228 ( 0.305 -9.580 7.319) 12.060 9.388 ( 10.419 15.721 -1.423) 18.914 25.505 ( 5.312 -5.341 30.746) 31.655 27.509 ( -1.165 0.253 7.159) 7.258 29.597 ( -7.637 -0.783 -7.979) 11.073 34.351 ( 2.408 -0.586 -33.458) 33.549 95.155 ( 12.809 -20.444 21.250) 32.150 97.423 ( 6.801 15.905 -14.911) 22.838======================= Grid point 434 (135/399) =======================q-point: (-0.07 0.07 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 686Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.122 ( 0.000 -6.953 30.974) 31.745 1.194 ( -0.000 3.845 28.365) 28.624 1.984 ( -0.000 24.812 40.103) 47.158 2.627 ( 0.000 -1.396 13.059) 13.133 3.886 ( 0.000 -2.423 6.852) 7.267 4.461 ( 0.000 -1.021 -4.397) 4.514 4.661 ( 0.000 -17.212 -5.899) 18.195 5.200 ( -0.000 0.275 -4.395) 4.404 5.307 ( -0.000 9.808 -1.793) 9.971 6.738 ( 0.000 -5.226 -1.706) 5.498 8.319 ( 0.000 -15.647 8.554) 17.832 9.368 ( -0.000 18.913 -4.423) 19.423 25.611 ( 0.000 -6.598 27.431) 28.213 27.497 ( -0.000 0.150 6.912) 6.914 29.516 ( -0.000 0.261 -6.175) 6.181 34.375 ( -0.000 0.039 -33.414) 33.414 95.476 ( 0.000 -26.708 13.106) 29.751 97.366 ( -0.000 18.785 -15.049) 24.069======================= Grid point 437 (136/399) =======================q-point: ( 0.14 0.14 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 687Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.716 ( 16.045 -0.000 15.464) 22.284 2.105 ( 22.548 -0.000 3.817) 22.869 3.499 ( -1.940 0.000 -1.703) 2.581 3.710 ( 28.622 -0.000 12.135) 31.088 3.975 ( 4.877 -0.000 9.302) 10.503 4.372 ( -11.260 0.000 -5.205) 12.405 5.018 ( -6.693 0.000 10.993) 12.870 5.141 ( 16.859 -0.000 -3.863) 17.296 5.235 ( 5.653 -0.000 -2.366) 6.128 7.114 ( 4.326 -0.000 -8.011) 9.105 8.360 ( -15.502 0.000 -9.949) 18.420 8.390 ( -1.934 0.000 2.488) 3.152 25.288 ( -2.253 0.000 30.644) 30.727 27.631 ( 2.923 -0.000 10.168) 10.580 30.042 ( 6.007 -0.000 -6.750) 9.036 34.120 ( -5.479 0.000 -31.049) 31.529 94.597 ( -6.365 0.000 19.403) 20.420 97.044 ( -2.449 0.000 -6.282) 6.742======================= Grid point 438 (137/399) =======================q-point: ( 0.21 0.14 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.034 ( 17.584 -3.157 9.086) 20.043 2.505 ( 20.142 -2.714 1.671) 20.392 3.441 ( -3.818 0.244 -1.825) 4.239 3.996 ( 1.568 5.513 8.652) 10.379 4.071 ( -3.729 1.429 0.536) 4.030 4.234 ( 8.857 -0.263 2.643) 9.247 4.920 ( -2.774 0.218 8.850) 9.277 5.240 ( 1.323 -3.127 -3.830) 5.118 5.565 ( 20.491 -1.712 -5.063) 21.177 7.191 ( 4.289 0.401 -7.406) 8.568 8.049 ( -14.444 6.631 -8.526) 18.036 8.384 ( -2.640 -6.021 0.756) 6.618 25.256 ( -1.341 0.071 29.855) 29.885 27.682 ( 2.587 -0.136 11.292) 11.585 30.136 ( 4.418 0.212 -5.134) 6.776 34.024 ( -4.892 0.302 -30.414) 30.806 94.510 ( -3.366 0.354 17.058) 17.391 97.015 ( -1.238 -1.047 -6.046) 6.260======================= Grid point 439 (138/399) =======================q-point: ( 0.29 0.14 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1276Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.375 ( 16.311 -5.589 3.880) 17.673 2.848 ( 15.337 -2.318 1.176) 15.555 3.370 ( -3.757 -0.019 -1.454) 4.028 3.819 ( -12.131 7.605 -1.845) 14.436 3.977 ( -2.330 2.122 9.797) 10.292 4.386 ( 1.891 -0.017 3.049) 3.588 4.961 ( 7.341 1.094 4.790) 8.833 5.285 ( 0.922 -3.901 -4.242) 5.836 5.905 ( 14.552 -3.467 -7.777) 16.860 7.241 ( 0.119 0.449 -10.585) 10.595 7.774 ( -9.865 5.225 -3.436) 11.680 8.387 ( -0.552 -3.683 0.586) 3.770 25.237 ( -0.737 0.047 29.285) 29.294 27.723 ( 1.707 -0.167 12.104) 12.225 30.196 ( 2.328 0.197 -4.263) 4.861 33.946 ( -3.352 0.323 -29.939) 30.128 94.464 ( -1.674 0.267 15.502) 15.595 97.015 ( 0.472 -0.958 -6.070) 6.163======================= Grid point 440 (139/399) =======================q-point: ( 0.36 0.14 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.681 ( 12.446 -6.514 0.038) 14.048 3.040 ( 3.759 2.394 0.319) 4.468 3.336 ( 0.380 -3.107 0.442) 3.161 3.557 ( -10.103 7.953 -0.067) 12.858 3.910 ( -3.721 1.509 10.481) 11.224 4.361 ( -2.668 -0.560 1.468) 3.096 5.080 ( 5.646 3.794 1.919) 7.068 5.329 ( 1.069 -3.583 -4.812) 6.094 6.114 ( 5.093 -4.075 -10.390) 12.268 7.124 ( -12.870 -1.039 -13.956) 19.013 7.694 ( 4.710 4.707 2.238) 7.025 8.425 ( 2.977 -1.722 1.001) 3.582 25.228 ( -0.205 -0.032 28.913) 28.913 27.743 ( 0.417 -0.048 12.424) 12.431 30.214 ( -0.256 0.110 -4.076) 4.086 33.904 ( -1.107 -0.022 -29.745) 29.766 94.442 ( -0.639 0.028 14.649) 14.663 97.045 ( 2.457 -0.123 -6.375) 6.834======================= Grid point 441 (140/399) =======================q-point: (-0.57 0.14 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1276Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.843 ( -2.866 1.768 -2.605) 4.257 2.998 ( 1.307 1.199 -0.880) 1.980 3.315 ( -8.023 1.015 1.260) 8.184 3.465 ( 5.470 -0.098 4.027) 6.793 3.818 ( -5.529 0.777 10.633) 12.010 4.334 ( -1.654 -2.285 0.066) 2.822 5.090 ( -0.173 5.951 2.505) 6.459 5.370 ( 0.895 -2.795 -5.142) 5.921 6.116 ( -7.234 0.039 -11.703) 13.759 6.886 ( -14.424 -7.134 -12.170) 20.176 7.810 ( 10.599 5.425 1.334) 11.981 8.522 ( 6.939 -0.258 2.170) 7.275 25.230 ( 0.333 -0.143 28.727) 28.730 27.737 ( -1.001 0.185 12.167) 12.209 30.184 ( -3.021 -0.039 -4.384) 5.324 33.908 ( 1.370 -0.658 -29.915) 29.954 94.439 ( 0.162 -0.340 14.434) 14.439 97.104 ( 4.471 1.248 -6.980) 8.383======================= Grid point 442 (141/399) =======================q-point: (-0.50 0.14 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.600 ( -13.682 11.689 -2.845) 18.219 3.005 ( -4.691 7.158 4.153) 9.512 3.230 ( -0.253 -6.500 -2.343) 6.914 3.552 ( -0.735 -3.353 6.505) 7.355 3.729 ( -1.928 -1.252 8.721) 9.019 4.292 ( -6.040 -1.439 -0.011) 6.209 5.033 ( -0.529 5.013 6.133) 7.939 5.393 ( -0.449 -2.161 -5.138) 5.592 5.865 ( -16.500 6.245 -9.524) 20.049 6.734 ( -11.145 -14.117 -13.689) 22.603 7.968 ( 10.885 6.451 -0.001) 12.653 8.677 ( 10.389 0.740 3.886) 11.117 25.242 ( 0.867 -0.275 28.765) 28.780 27.706 ( -2.194 0.431 11.380) 11.597 30.107 ( -5.509 -0.326 -5.007) 7.451 33.960 ( 3.516 -1.390 -30.449) 30.683 94.454 ( 1.026 -0.938 14.891) 14.956 97.187 ( 6.336 2.977 -7.893) 10.551======================= Grid point 443 (142/399) =======================q-point: (-0.43 0.14 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1276Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.238 ( -15.784 15.389 -2.668) 22.205 2.773 ( -11.389 13.134 8.207) 19.224 3.317 ( 0.814 -9.366 -1.460) 9.514 3.432 ( -11.431 -2.394 11.227) 16.200 3.802 ( 4.641 -3.821 1.594) 6.219 4.113 ( -13.128 0.544 3.738) 13.661 5.020 ( 0.304 1.398 8.675) 8.792 5.351 ( -7.559 0.483 -4.415) 8.768 5.540 ( -9.338 6.895 -5.825) 12.987 6.654 ( -10.297 -17.357 -17.170) 26.497 8.099 ( 8.713 7.423 -0.089) 11.447 8.881 ( 13.048 1.530 5.404) 14.206 25.265 ( 1.399 -0.480 29.105) 29.142 27.656 ( -2.862 0.582 10.235) 10.643 29.994 ( -7.325 -0.778 -5.836) 9.398 34.049 ( 4.852 -1.989 -31.256) 31.692 94.492 ( 2.206 -2.019 16.121) 16.396 97.289 ( 7.947 4.912 -9.159) 13.083======================= Grid point 444 (143/399) =======================q-point: (-0.36 0.14 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.829 ( -16.291 18.039 -1.093) 24.330 2.432 ( -15.758 14.292 10.953) 23.928 3.142 ( -16.510 1.308 17.992) 24.455 3.435 ( 0.494 -6.730 -0.877) 6.805 3.736 ( -14.963 1.437 4.097) 15.580 4.014 ( 3.085 -7.757 2.701) 8.774 4.908 ( -12.047 2.828 0.123) 12.375 5.226 ( 0.438 2.831 5.715) 6.392 5.457 ( -1.072 1.463 -3.795) 4.206 6.597 ( -10.010 -18.925 -19.943) 29.259 8.176 ( 5.781 7.887 1.351) 9.872 9.118 ( 14.532 2.560 6.097) 15.966 25.301 ( 2.016 -0.967 29.822) 29.906 27.599 ( -2.866 0.590 8.980) 9.445 29.860 ( -8.288 -1.250 -6.751) 10.763 34.156 ( 5.125 -2.286 -32.191) 32.676 94.567 ( 3.898 -4.137 18.210) 19.077 97.403 ( 9.222 6.963 -10.939) 15.912======================= Grid point 445 (144/399) =======================q-point: (-0.29 0.14 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1276Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.423 ( -13.523 18.727 4.048) 23.451 2.016 ( -19.657 12.228 14.821) 27.488 2.826 ( -13.745 8.287 23.140) 28.161 3.237 ( -20.262 7.003 10.705) 23.963 3.642 ( 0.885 -10.213 3.744) 10.914 4.159 ( 5.375 -8.905 -2.912) 10.801 4.673 ( -10.162 2.709 -3.902) 11.218 5.249 ( 1.686 1.467 7.075) 7.419 5.429 ( -1.376 0.232 -1.908) 2.364 6.559 ( -8.804 -19.128 -19.561) 28.741 8.201 ( 3.063 7.147 3.744) 8.631 9.357 ( 14.076 4.150 5.540) 15.686 25.354 ( 2.796 -2.197 30.814) 31.018 27.548 ( -2.258 0.487 7.877) 8.208 29.718 ( -8.295 -1.319 -7.411) 11.202 34.258 ( 4.317 -2.208 -33.118) 33.471 94.697 ( 5.948 -8.370 20.882) 23.270 97.520 ( 9.809 9.096 -13.653) 19.114======================= Grid point 446 (145/399) =======================q-point: (-0.21 0.14 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.141 ( -2.861 14.941 14.556) 21.055 1.579 ( -19.726 9.039 20.541) 29.879 2.567 ( -4.862 16.445 27.824) 32.684 2.816 ( -18.451 7.485 16.681) 25.975 3.745 ( 1.956 -9.296 4.925) 10.700 4.316 ( 4.903 -8.973 -5.703) 11.708 4.516 ( -6.388 -0.203 -5.146) 8.205 5.236 ( -1.893 1.020 -0.656) 2.248 5.412 ( -0.206 0.620 2.687) 2.766 6.552 ( -5.703 -17.255 -14.577) 23.297 8.196 ( 1.017 4.303 6.372) 7.756 9.544 ( 9.892 6.568 3.092) 12.270 25.432 ( 3.049 -4.706 31.355) 31.853 27.513 ( -1.224 0.355 7.138) 7.251 29.588 ( -6.390 -0.454 -7.103) 9.565 34.335 ( 2.529 -1.771 -33.897) 34.037 94.897 ( 6.441 -15.880 22.655) 28.406 97.616 ( 7.905 11.352 -17.720) 22.481======================= Grid point 447 (146/399) =======================q-point: (-0.14 0.14 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 687Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.111 ( -0.000 6.559 21.985) 22.942 1.270 ( -0.000 6.847 26.836) 27.695 2.377 ( -0.000 30.237 36.490) 47.390 2.599 ( 0.000 -2.686 12.891) 13.168 3.823 ( 0.000 -7.012 6.015) 9.238 4.441 ( 0.000 -1.829 -4.065) 4.458 4.455 ( 0.000 -11.012 -7.433) 13.286 5.205 ( -0.000 0.469 -4.637) 4.661 5.400 ( -0.000 3.263 2.844) 4.328 6.605 ( 0.000 -13.801 -8.677) 16.302 8.192 ( 0.000 -1.593 8.154) 8.308 9.582 ( -0.000 10.674 -0.344) 10.680 25.510 ( 0.000 -7.141 30.587) 31.410 27.500 ( -0.000 0.271 6.891) 6.897 29.521 ( -0.000 0.470 -6.206) 6.224 34.369 ( 0.000 -1.088 -34.144) 34.161 95.109 ( 0.000 -23.580 21.620) 31.991 97.607 ( -0.000 14.421 -20.347) 24.939======================= Grid point 452 (147/399) =======================q-point: ( 0.21 0.21 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 686Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.335 ( 16.631 -0.000 4.606) 17.257 2.832 ( 16.505 -0.000 0.804) 16.524 3.369 ( -4.162 0.000 -1.472) 4.415 3.876 ( -13.259 0.000 -2.489) 13.490 3.990 ( -2.738 0.000 10.138) 10.502 4.386 ( 2.160 -0.000 2.879) 3.599 4.971 ( 8.186 -0.000 4.897) 9.539 5.255 ( 1.364 -0.000 -3.919) 4.150 5.880 ( 14.398 -0.000 -7.417) 16.196 7.243 ( -0.165 0.000 -9.623) 9.625 7.816 ( -11.086 0.000 -4.712) 12.046 8.358 ( 0.942 -0.000 0.573) 1.102 25.237 ( -0.768 0.000 29.325) 29.335 27.721 ( 1.753 -0.000 12.098) 12.224 30.197 ( 2.270 -0.000 -4.261) 4.828 33.948 ( -3.475 0.000 -29.939) 30.140 94.466 ( -1.792 0.000 15.577) 15.680 97.008 ( 0.840 -0.000 -5.994) 6.053======================= Grid point 453 (148/399) =======================q-point: ( 0.29 0.21 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.617 ( 13.351 -2.399 0.487) 13.573 3.066 ( 8.201 1.119 1.220) 8.367 3.300 ( -3.405 -1.618 -0.510) 3.804 3.641 ( -10.478 3.429 -0.999) 11.070 3.925 ( -4.164 0.500 10.936) 11.713 4.355 ( -3.518 -0.226 1.045) 3.677 5.126 ( 7.447 2.206 1.709) 7.953 5.286 ( 1.313 -2.026 -4.484) 5.093 6.069 ( 5.603 -1.973 -9.581) 11.273 7.115 ( -14.134 -0.305 -13.020) 19.219 7.744 ( 4.148 2.030 0.851) 4.696 8.406 ( 4.054 -0.846 0.970) 4.254 25.228 ( -0.256 -0.014 28.922) 28.923 27.743 ( 0.520 -0.021 12.418) 12.429 30.215 ( -0.320 0.049 -4.081) 4.094 33.903 ( -1.380 -0.010 -29.744) 29.776 94.443 ( -0.798 0.012 14.653) 14.675 97.044 ( 3.068 -0.055 -6.353) 7.055======================= Grid point 454 (149/399) =======================q-point: (-0.64 0.21 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.827 ( 6.617 -2.297 -2.830) 7.554 3.055 ( -4.311 5.525 -0.316) 7.015 3.277 ( -4.696 -5.129 0.895) 7.011 3.508 ( 0.177 4.336 3.850) 5.801 3.834 ( -5.315 1.091 11.722) 12.917 4.304 ( -2.618 -1.753 -1.684) 3.573 5.171 ( 0.666 5.249 1.481) 5.495 5.328 ( 1.028 -3.072 -4.724) 5.728 6.101 ( -3.810 -1.671 -11.729) 12.444 6.814 ( -18.383 -3.162 -11.067) 21.689 7.874 ( 10.833 3.406 0.793) 11.384 8.515 ( 7.400 -0.569 2.325) 7.777 25.229 ( 0.272 -0.086 28.640) 28.641 27.739 ( -0.871 0.092 12.170) 12.201 30.184 ( -3.116 0.008 -4.422) 5.409 33.901 ( 0.995 -0.372 -29.907) 29.926 94.436 ( -0.065 -0.177 14.255) 14.256 97.117 ( 5.253 0.650 -7.101) 8.856======================= Grid point 455 (150/399) =======================q-point: (-0.57 0.21 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.750 ( -10.250 9.784 -3.130) 14.512 3.034 ( 0.922 -2.642 -1.746) 3.298 3.180 ( -6.078 -1.081 1.327) 6.314 3.528 ( 0.236 0.042 8.934) 8.937 3.733 ( -3.379 1.228 10.754) 11.339 4.264 ( -4.695 -2.245 -3.511) 6.278 5.108 ( -2.401 5.407 4.694) 7.552 5.355 ( -0.560 -3.102 -4.652) 5.619 5.940 ( -12.709 4.405 -11.884) 17.948 6.556 ( -14.965 -10.918 -11.296) 21.697 8.053 ( 11.782 5.336 0.073) 12.934 8.677 ( 10.138 -0.490 4.433) 11.076 25.239 ( 0.795 -0.191 28.514) 28.526 27.711 ( -2.093 0.279 11.393) 11.587 30.104 ( -5.674 -0.148 -5.042) 7.592 33.944 ( 3.129 -0.985 -30.441) 30.617 94.443 ( 0.639 -0.591 14.419) 14.446 97.221 ( 7.196 1.897 -8.222) 11.090======================= Grid point 456 (151/399) =======================q-point: (-0.50 0.21 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.448 ( -13.041 14.666 -3.159) 19.878 2.910 ( -11.866 5.712 4.834) 14.029 3.191 ( 1.555 -7.746 -1.992) 8.148 3.428 ( -9.515 1.710 13.233) 16.388 3.761 ( 4.646 -2.559 5.650) 7.750 4.120 ( -12.359 0.515 -1.252) 12.433 5.046 ( -1.531 2.304 8.082) 8.542 5.336 ( -4.412 -2.206 -3.560) 6.084 5.647 ( -11.859 8.263 -9.049) 17.053 6.413 ( -12.353 -16.817 -15.835) 26.194 8.208 ( 10.202 7.793 0.186) 12.839 8.884 ( 12.189 -0.921 6.665) 13.923 25.260 ( 1.258 -0.345 28.623) 28.653 27.663 ( -2.836 0.443 10.251) 10.645 29.986 ( -7.520 -0.440 -5.751) 9.477 34.023 ( 4.538 -1.663 -31.269) 31.641 94.468 ( 1.466 -1.385 15.222) 15.355 97.347 ( 8.740 3.417 -9.727) 13.515======================= Grid point 457 (152/399) =======================q-point: (-0.43 0.21 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.089 ( -13.662 18.841 -2.383) 23.395 2.587 ( -18.310 7.913 8.691) 21.758 3.175 ( -11.443 3.169 14.526) 18.761 3.316 ( 0.670 -9.186 -0.558) 9.227 3.795 ( -12.612 5.883 3.302) 14.303 3.920 ( 1.722 -5.768 4.692) 7.632 4.951 ( -9.161 3.330 2.177) 9.987 5.250 ( -2.310 0.154 2.979) 3.773 5.482 ( -3.413 2.866 -4.780) 6.535 6.327 ( -11.238 -19.395 -20.701) 30.512 8.306 ( 7.476 10.140 1.438) 12.680 9.124 ( 13.299 -1.463 8.226) 15.706 25.289 ( 1.641 -0.677 29.058) 29.112 27.607 ( -2.918 0.507 8.987) 9.463 29.846 ( -8.313 -0.741 -6.405) 10.520 34.124 ( 4.920 -2.226 -32.247) 32.696 94.518 ( 2.466 -2.892 16.724) 17.150 97.485 ( 9.719 4.882 -11.705) 15.978======================= Grid point 458 (153/399) =======================q-point: (-0.36 0.21 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.710 ( -12.042 21.631 0.903) 24.774 2.160 ( -21.857 8.791 13.060) 26.936 2.904 ( -14.659 3.110 14.670) 20.971 3.357 ( -6.783 5.274 10.132) 13.285 3.515 ( -5.740 -3.433 7.060) 9.725 4.062 ( 6.905 -5.517 -1.368) 8.944 4.722 ( -10.894 4.471 -4.292) 12.534 5.260 ( 1.385 -0.372 7.635) 7.769 5.416 ( -3.764 -1.294 -2.104) 4.502 6.282 ( -8.898 -20.112 -22.487) 31.454 8.338 ( 4.560 11.600 3.313) 12.897 9.372 ( 12.584 -1.651 8.634) 15.350 25.329 ( 1.918 -1.482 29.833) 29.931 27.555 ( -2.345 0.468 7.867) 8.222 29.704 ( -7.804 -0.718 -6.802) 10.377 34.224 ( 4.204 -2.559 -33.210) 33.573 94.600 ( 3.402 -5.672 18.831) 19.958 97.625 ( 9.685 5.956 -14.386) 18.336======================= Grid point 459 (154/399) =======================q-point: (-0.29 0.21 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.400 ( -4.196 20.847 8.463) 22.888 1.710 ( -19.706 10.339 17.344) 28.214 2.646 ( -11.612 -0.974 13.327) 17.703 3.067 ( -7.632 23.972 26.758) 36.728 3.590 ( 1.392 -12.568 3.210) 13.046 4.229 ( 7.581 -4.207 -5.473) 10.253 4.526 ( -8.420 1.706 -6.107) 10.540 5.251 ( -2.404 1.024 -0.753) 2.720 5.386 ( -1.205 -4.042 5.822) 7.189 6.292 ( -5.014 -19.327 -19.622) 27.995 8.314 ( 1.944 11.594 5.144) 12.832 9.579 ( 8.559 -1.089 7.467) 11.410 25.378 ( 1.731 -3.080 30.699) 30.902 27.519 ( -1.287 0.387 7.114) 7.239 29.584 ( -5.381 -0.054 -6.653) 8.557 34.304 ( 2.482 -2.608 -34.004) 34.194 94.717 ( 3.261 -10.185 21.002) 23.568 97.738 ( 7.169 6.576 -17.856) 20.334======================= Grid point 460 (155/399) =======================q-point: (-0.21 0.21 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 686Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.296 ( -0.000 19.049 11.131) 22.063 1.378 ( -0.000 8.565 25.056) 26.479 2.554 ( 0.000 -3.750 12.587) 13.134 2.800 ( -0.000 30.128 32.622) 44.406 3.690 ( 0.000 -11.706 4.524) 12.550 4.364 ( 0.000 -2.610 -9.903) 10.241 4.412 ( 0.000 -2.269 -3.605) 4.259 5.212 ( -0.000 0.543 -4.962) 4.991 5.403 ( 0.000 -2.474 7.888) 8.267 6.375 ( 0.000 -18.296 -15.386) 23.906 8.256 ( -0.000 9.442 6.415) 11.415 9.663 ( -0.000 1.363 5.022) 5.203 25.425 ( 0.000 -4.895 31.157) 31.539 27.504 ( -0.000 0.338 6.862) 6.870 29.529 ( -0.000 0.586 -6.252) 6.279 34.344 ( 0.000 -2.317 -34.354) 34.432 94.841 ( 0.000 -15.140 22.291) 26.946 97.761 ( -0.000 7.995 -20.377) 21.889======================= Grid point 467 (156/399) =======================q-point: ( 0.29 0.29 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 687Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.808 ( 8.341 -0.000 -2.865) 8.819 3.110 ( -4.865 0.000 0.248) 4.871 3.223 ( -3.728 0.000 0.597) 3.775 3.543 ( -1.342 0.000 3.660) 3.898 3.842 ( -5.034 0.000 12.113) 13.117 4.291 ( -3.126 0.000 -2.461) 3.978 5.216 ( 1.110 -0.000 1.572) 1.925 5.299 ( 0.956 -0.000 -5.106) 5.194 6.086 ( -2.565 0.000 -11.523) 11.805 6.793 ( -19.794 0.000 -10.774) 22.536 7.899 ( 10.890 -0.000 0.606) 10.907 8.510 ( 7.556 -0.000 2.369) 7.919 25.228 ( 0.251 -0.000 28.609) 28.610 27.740 ( -0.824 0.000 12.170) 12.198 30.184 ( -3.149 0.000 -4.436) 5.440 33.898 ( 0.860 -0.000 -29.903) 29.916 94.434 ( -0.143 0.000 14.192) 14.193 97.122 ( 5.525 -0.000 -7.141) 9.028======================= Grid point 468 (157/399) =======================q-point: (-0.64 0.29 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.867 ( -3.956 6.446 -3.972) 8.543 2.977 ( -5.177 -4.354 -2.575) 7.238 3.167 ( -3.581 -0.836 1.945) 4.161 3.541 ( -0.049 1.037 10.066) 10.119 3.750 ( -4.342 0.808 12.766) 13.509 4.238 ( -3.922 -1.152 -6.439) 7.627 5.171 ( -3.878 3.039 4.083) 6.399 5.316 ( -0.309 -2.024 -4.787) 5.206 5.983 ( -8.415 1.615 -14.124) 16.520 6.447 ( -19.076 -4.239 -8.681) 21.383 8.106 ( 12.422 2.081 0.056) 12.595 8.669 ( 9.802 -0.398 4.679) 10.869 25.237 ( 0.762 -0.069 28.378) 28.388 27.713 ( -2.036 0.096 11.399) 11.580 30.103 ( -5.753 -0.038 -5.070) 7.668 33.934 ( 2.909 -0.356 -30.434) 30.575 94.438 ( 0.445 -0.200 14.166) 14.175 97.239 ( 7.625 0.647 -8.387) 11.354======================= Grid point 469 (158/399) =======================q-point: (-0.57 0.29 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1276Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.639 ( -10.483 12.602 -2.899) 16.647 2.913 ( -10.508 -4.973 0.156) 11.627 3.123 ( -0.919 -2.035 0.414) 2.271 3.470 ( -6.846 3.745 13.833) 15.882 3.726 ( 1.946 -2.409 9.768) 10.248 4.127 ( -9.582 0.340 -6.053) 11.339 5.080 ( -3.176 2.396 7.660) 8.632 5.301 ( -3.559 -2.459 -2.998) 5.264 5.764 ( -10.858 8.234 -13.931) 19.487 6.200 ( -14.979 -13.224 -11.890) 23.251 8.301 ( 11.566 5.101 0.190) 12.643 8.865 ( 11.078 -1.491 7.438) 13.426 25.256 ( 1.190 -0.179 28.297) 28.322 27.668 ( -2.815 0.237 10.260) 10.642 29.982 ( -7.616 -0.181 -5.732) 9.534 34.005 ( 4.302 -0.946 -31.270) 31.579 94.454 ( 1.052 -0.694 14.641) 14.695 97.383 ( 9.127 1.725 -10.050) 13.685======================= Grid point 470 (159/399) =======================q-point: (-0.50 0.29 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.338 ( -11.554 16.573 -1.894) 20.292 2.655 ( -18.083 2.096 6.988) 19.499 3.160 ( -0.192 -7.509 -0.533) 7.530 3.260 ( -12.540 3.371 11.749) 17.512 3.819 ( 2.632 -4.130 6.606) 8.223 3.908 ( -8.992 5.087 1.593) 10.453 5.001 ( -5.703 3.837 4.768) 8.366 5.227 ( -4.726 -3.061 1.583) 5.849 5.548 ( -6.288 6.792 -8.688) 12.694 6.069 ( -11.844 -17.485 -19.350) 28.643 8.441 ( 9.134 8.800 1.285) 12.749 9.087 ( 11.629 -3.377 9.733) 15.536 25.282 ( 1.451 -0.383 28.457) 28.497 27.613 ( -2.955 0.339 8.991) 9.470 29.838 ( -8.277 -0.346 -6.255) 10.380 34.096 ( 4.714 -1.613 -32.264) 32.646 94.486 ( 1.663 -1.671 15.651) 15.827 97.539 ( 9.755 2.806 -12.104) 15.797======================= Grid point 471 (160/399) =======================q-point: (-0.43 0.29 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1276Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.997 ( -12.540 18.383 2.300) 22.372 2.274 ( -18.997 8.355 10.412) 23.218 2.928 ( -18.961 0.779 9.584) 21.260 3.265 ( 1.251 -11.957 0.695) 12.042 3.638 ( -7.487 13.569 15.237) 21.734 3.997 ( 8.156 -3.988 0.128) 9.080 4.797 ( -11.076 6.185 -3.431) 13.142 5.225 ( 0.420 -4.715 8.216) 9.482 5.416 ( -6.076 1.707 -3.921) 7.430 6.014 ( -7.937 -18.046 -24.168) 31.189 8.505 ( 5.961 11.917 2.979) 13.654 9.321 ( 10.722 -5.144 10.896) 16.129 25.313 ( 1.477 -0.839 28.919) 28.969 27.561 ( -2.416 0.365 7.857) 8.228 29.697 ( -7.415 -0.294 -6.529) 9.884 34.190 ( 4.038 -2.221 -33.228) 33.546 94.538 ( 2.082 -3.399 17.137) 17.595 97.689 ( 9.071 3.416 -14.551) 17.484======================= Grid point 472 (161/399) =======================q-point: (-0.36 0.29 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.666 ( -9.579 15.214 12.596) 21.952 1.891 ( -12.920 16.967 8.924) 23.118 2.612 ( -14.888 -3.109 10.754) 18.627 3.353 ( 0.191 1.831 12.104) 12.243 3.448 ( -1.960 6.587 13.504) 15.153 4.184 ( 9.773 -2.587 -3.939) 10.850 4.564 ( -10.477 3.737 -6.437) 12.852 5.258 ( -1.311 -0.852 2.851) 3.252 5.315 ( -3.747 -4.801 3.398) 6.974 6.033 ( -3.788 -17.539 -23.494) 29.562 8.493 ( 2.754 13.613 4.477) 14.592 9.526 ( 7.085 -5.984 10.719) 14.174 25.345 ( 1.109 -1.717 29.613) 29.684 27.524 ( -1.341 0.345 7.088) 7.222 29.585 ( -4.721 0.162 -6.478) 8.017 34.266 ( 2.371 -2.665 -33.978) 34.165 94.606 ( 1.787 -6.021 18.843) 19.862 97.806 ( 6.148 3.456 -17.232) 18.619======================= Grid point 473 (162/399) =======================q-point: (-0.29 0.29 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 687Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.501 ( -0.000 8.894 23.594) 25.215 1.606 ( -0.000 24.506 4.548) 24.924 2.497 ( 0.000 -4.412 12.111) 12.889 3.199 ( -0.000 26.614 28.025) 38.648 3.511 ( 0.000 -13.534 2.956) 13.853 4.363 ( -0.000 1.897 -10.403) 10.574 4.380 ( 0.000 -2.262 -3.113) 3.848 5.220 ( -0.000 0.502 -5.293) 5.316 5.342 ( 0.000 -5.965 10.972) 12.488 6.120 ( 0.000 -17.852 -20.823) 27.428 8.422 ( -0.000 13.607 5.280) 14.596 9.634 ( 0.000 -4.940 9.325) 10.553 25.373 ( 0.000 -2.786 30.284) 30.412 27.509 ( -0.000 0.338 6.829) 6.837 29.537 ( -0.000 0.586 -6.302) 6.329 34.308 ( 0.000 -2.821 -34.310) 34.426 94.677 ( 0.000 -8.920 20.276) 22.151 97.841 ( -0.000 3.995 -19.069) 19.483======================= Grid point 482 (163/399) =======================q-point: (-0.64 0.36 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 686Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.778 ( -9.344 0.000 -2.276) 9.617 2.821 ( -8.811 0.000 -2.158) 9.071 3.113 ( -3.234 0.000 1.789) 3.696 3.503 ( -5.245 0.000 13.436) 14.424 3.705 ( -0.157 0.000 11.757) 11.758 4.129 ( -8.058 0.000 -8.045) 11.387 5.100 ( -3.892 0.000 7.671) 8.602 5.281 ( -3.381 0.000 -2.978) 4.505 5.840 ( -8.035 0.000 -19.529) 21.117 6.088 ( -18.169 0.000 -6.564) 19.319 8.338 ( 12.205 -0.000 0.133) 12.205 8.852 ( 10.502 -0.000 7.733) 13.042 25.255 ( 1.171 -0.000 28.182) 28.206 27.669 ( -2.808 0.000 10.263) 10.640 29.981 ( -7.645 0.000 -5.732) 9.555 33.998 ( 4.214 -0.000 -31.269) 31.552 94.449 ( 0.920 -0.000 14.441) 14.470 97.395 ( 9.239 -0.000 -10.154) 13.728======================= Grid point 484 (164/399) =======================q-point: (-0.57 0.36 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.533 ( -12.908 10.645 1.111) 16.768 2.648 ( -12.689 -3.038 2.571) 13.299 3.066 ( -2.696 -4.418 0.481) 5.198 3.310 ( -15.582 2.434 10.436) 18.911 3.766 ( 5.394 -2.413 7.518) 9.562 3.968 ( -7.530 2.520 0.427) 7.952 5.051 ( -1.670 2.818 7.731) 8.397 5.181 ( -7.964 -2.794 0.263) 8.444 5.667 ( -7.716 10.079 -15.722) 20.207 5.849 ( -12.555 -13.802 -14.510) 23.637 8.533 ( 10.509 3.795 0.894) 11.209 9.045 ( 10.154 -1.976 10.773) 14.936 25.278 ( 1.378 -0.122 28.130) 28.164 27.616 ( -2.973 0.119 8.993) 9.472 29.836 ( -8.246 -0.095 -6.207) 10.322 34.081 ( 4.589 -0.588 -32.266) 32.596 94.471 ( 1.309 -0.543 15.096) 15.163 97.564 ( 9.687 0.908 -12.268) 15.658======================= Grid point 485 (165/399) =======================q-point: (-0.50 0.36 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.180 ( -18.548 7.369 9.743) 22.209 2.415 ( -9.350 11.558 2.974) 15.161 2.935 ( -22.135 0.434 7.305) 23.313 3.096 ( -1.179 -11.410 0.432) 11.479 3.805 ( -1.810 9.618 11.943) 15.441 3.949 ( 8.090 -3.129 2.189) 8.946 4.890 ( -11.251 6.985 -1.253) 13.302 5.142 ( -0.630 -6.655 7.796) 10.270 5.461 ( -8.846 4.459 -5.930) 11.546 5.791 ( -5.531 -13.466 -24.836) 28.788 8.653 ( 7.369 8.649 2.345) 11.602 9.244 ( 8.875 -5.314 12.695) 16.376 25.305 ( 1.291 -0.364 28.294) 28.326 27.565 ( -2.460 0.199 7.850) 8.229 29.695 ( -7.183 -0.083 -6.429) 9.641 34.165 ( 3.905 -1.282 -33.224) 33.478 94.504 ( 1.463 -1.579 16.077) 16.220 97.722 ( 8.548 1.529 -14.537) 16.933======================= Grid point 486 (166/399) =======================q-point: (-0.43 0.36 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.814 ( -14.665 7.156 18.161) 24.415 2.167 ( -5.371 20.681 2.329) 21.493 2.570 ( -16.793 -2.703 9.569) 19.516 3.184 ( 0.184 -14.696 1.093) 14.738 3.691 ( -0.546 16.481 18.531) 24.805 4.152 ( 11.426 -2.160 -1.893) 11.781 4.626 ( -12.610 4.885 -4.678) 14.310 5.193 ( 0.573 -6.672 9.647) 11.743 5.298 ( -6.783 0.814 -4.489) 8.174 5.817 ( -2.187 -13.129 -25.788) 29.020 8.677 ( 3.558 12.322 3.890) 13.402 9.426 ( 5.716 -7.914 13.097) 16.335 25.328 ( 0.849 -0.814 28.682) 28.706 27.528 ( -1.381 0.237 7.068) 7.205 29.588 ( -4.347 0.184 -6.426) 7.760 34.234 ( 2.269 -1.957 -33.938) 34.070 94.544 ( 1.118 -3.147 17.217) 17.538 97.840 ( 5.380 1.609 -16.649) 17.571======================= Grid point 487 (167/399) =======================q-point: (-0.36 0.36 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 686Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.619 ( -0.000 7.738 22.771) 24.050 1.953 ( -0.000 24.757 2.007) 24.838 2.435 ( 0.000 -4.341 11.437) 12.233 3.291 ( 0.000 -14.654 2.518) 14.869 3.555 ( -0.000 20.777 21.945) 30.221 4.351 ( 0.000 -1.814 -2.684) 3.240 4.403 ( -0.000 3.552 -7.999) 8.752 5.226 ( -0.000 0.376 -5.568) 5.581 5.249 ( 0.000 -7.030 11.309) 13.316 5.892 ( 0.000 -14.597 -24.422) 28.452 8.616 ( -0.000 13.909 4.692) 14.679 9.539 ( 0.000 -8.328 12.300) 14.855 25.344 ( 0.000 -1.395 29.185) 29.218 27.514 ( -0.000 0.271 6.800) 6.805 29.545 ( -0.000 0.469 -6.347) 6.365 34.270 ( 0.000 -2.466 -34.232) 34.320 94.583 ( 0.000 -4.914 18.242) 18.892 97.880 ( -0.000 1.835 -17.914) 18.008======================= Grid point 498 (168/399) =======================q-point: (-0.57 0.43 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 687Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.225 ( -20.735 0.000 12.697) 24.314 2.519 ( -4.904 0.000 -0.108) 4.905 2.942 ( -23.806 0.000 7.129) 24.850 2.996 ( -2.445 0.000 0.311) 2.465 3.896 ( -2.118 0.000 9.600) 9.831 3.905 ( 10.356 -0.000 3.598) 10.963 4.960 ( -13.668 0.000 -0.362) 13.673 5.075 ( 1.399 -0.000 7.992) 8.113 5.511 ( -13.262 0.000 -5.214) 14.250 5.677 ( -1.301 0.000 -26.806) 26.838 8.719 ( 8.199 -0.000 1.669) 8.367 9.201 ( 7.874 -0.000 13.760) 15.854 25.302 ( 1.242 -0.000 28.074) 28.101 27.566 ( -2.475 0.000 7.847) 8.228 29.694 ( -7.108 0.000 -6.406) 9.569 34.156 ( 3.856 -0.000 -33.221) 33.444 94.493 ( 1.281 -0.000 15.720) 15.772 97.733 ( 8.354 -0.000 -14.516) 16.749======================= Grid point 500 (169/399) =======================q-point: (-0.50 0.43 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.879 ( -15.055 2.383 19.406) 24.677 2.408 ( -2.923 11.326 1.732) 11.824 2.546 ( -17.776 -0.306 8.736) 19.809 2.999 ( -0.973 -9.710 0.193) 9.760 3.857 ( 0.036 6.641 14.038) 15.529 4.126 ( 12.928 -1.307 0.083) 12.994 4.685 ( -14.786 2.783 -1.485) 15.119 5.116 ( 1.348 -3.462 7.903) 8.733 5.311 ( -8.021 0.702 -4.931) 9.442 5.684 ( -0.547 -5.268 -26.863) 27.380 8.813 ( 4.343 6.030 2.708) 7.910 9.330 ( 4.621 -4.607 15.180) 16.523 25.321 ( 0.759 -0.234 28.169) 28.180 27.530 ( -1.401 0.084 7.056) 7.194 29.590 ( -4.182 0.076 -6.416) 7.659 34.215 ( 2.212 -0.716 -33.916) 33.996 94.516 ( 0.855 -0.977 16.387) 16.438 97.854 ( 4.988 0.463 -16.335) 17.086======================= Grid point 501 (170/399) =======================q-point: (-0.43 0.43 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 687Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.708 ( -0.000 4.772 22.616) 23.114 2.272 ( -0.000 20.002 1.816) 20.084 2.382 ( 0.000 -2.951 10.663) 11.064 3.080 ( 0.000 -14.584 0.803) 14.606 3.793 ( -0.000 12.423 16.955) 21.020 4.331 ( 0.000 -1.008 -2.393) 2.596 4.451 ( -0.000 2.967 -2.811) 4.087 5.161 ( 0.000 -5.032 9.560) 10.803 5.230 ( -0.000 0.199 -5.748) 5.752 5.727 ( 0.000 -8.694 -26.338) 27.736 8.792 ( -0.000 10.644 3.756) 11.287 9.420 ( 0.000 -7.984 14.679) 16.709 25.331 ( 0.000 -0.558 28.399) 28.405 27.517 ( -0.000 0.151 6.779) 6.781 29.550 ( -0.000 0.260 -6.379) 6.384 34.242 ( 0.000 -1.423 -34.182) 34.212 94.535 ( 0.000 -2.183 16.938) 17.078 97.897 ( -0.000 0.695 -17.216) 17.230======================= Grid point 515 (171/399) =======================q-point: ( 0.50 -0.50 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 374Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.742 ( -0.000 0.000 22.706) 22.706 2.360 ( -0.000 0.000 10.260) 10.260 2.439 ( -0.000 0.000 2.486) 2.486 2.951 ( 0.000 -0.000 -0.129) 0.129 3.881 ( -0.000 0.000 14.042) 14.042 4.324 ( -0.000 0.000 -2.289) 2.289 4.474 ( -0.000 0.000 0.615) 0.615 5.123 ( -0.000 0.000 8.265) 8.265 5.231 ( -0.000 0.000 -5.810) 5.810 5.664 ( -0.000 0.000 -26.990) 26.990 8.876 ( -0.000 0.000 2.607) 2.607 9.354 ( 0.000 -0.000 16.306) 16.306 25.328 ( -0.000 0.000 28.121) 28.121 27.518 ( -0.000 0.000 6.772) 6.772 29.552 ( -0.000 0.000 -6.390) 6.390 34.232 ( -0.000 0.000 -34.166) 34.166 94.520 ( -0.000 0.000 16.500) 16.500 97.901 ( -0.000 0.000 -16.987) 16.987======================= Grid point 609 (172/399) =======================q-point: ( 0.00 0.00 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 399Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.710 ( 0.000 0.000 26.961) 26.961 1.849 ( 0.000 0.000 33.279) 33.279 2.555 ( 0.000 0.000 37.276) 37.276 2.918 ( 0.000 0.000 15.219) 15.219 4.067 ( 0.000 0.000 9.733) 9.733 4.365 ( 0.000 0.000 -5.981) 5.981 4.663 ( 0.000 0.000 -9.779) 9.779 5.093 ( 0.000 0.000 -6.505) 6.505 5.155 ( 0.000 0.000 -1.397) 1.397 6.773 ( 0.000 0.000 -1.893) 1.893 8.643 ( 0.000 0.000 7.859) 7.859 9.070 ( 0.000 0.000 -5.596) 5.596 26.255 ( 0.000 0.000 36.120) 36.120 27.659 ( 0.000 0.000 9.831) 9.831 29.368 ( 0.000 0.000 -8.918) 8.918 33.606 ( 0.000 0.000 -45.817) 45.817 95.778 ( 0.000 0.000 4.531) 4.531 97.026 ( 0.000 0.000 -10.049) 10.049======================= Grid point 610 (173/399) =======================q-point: ( 0.07 0.00 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.668 ( -1.865 7.168 28.475) 29.422 1.863 ( 3.150 -4.039 30.621) 31.047 2.751 ( 15.269 -8.529 33.386) 37.690 3.040 ( 12.749 0.180 12.975) 18.191 4.018 ( -3.579 1.911 7.783) 8.777 4.429 ( 6.342 0.671 -3.794) 7.421 4.598 ( -2.752 9.762 -8.753) 13.397 5.149 ( 4.966 -0.007 -5.652) 7.524 5.183 ( 0.050 -7.549 -2.297) 7.891 6.760 ( 0.522 4.798 -3.573) 6.005 8.568 ( -2.378 13.682 7.282) 15.680 9.052 ( -8.786 -16.919 -4.874) 19.677 26.209 ( -4.035 1.453 37.680) 37.923 27.676 ( 1.767 -0.081 10.171) 10.324 29.429 ( 6.273 0.037 -9.721) 11.570 33.589 ( -1.784 0.412 -45.689) 45.725 95.635 ( -11.523 6.705 9.499) 16.370 97.032 ( -1.577 -4.993 -10.557) 11.784======================= Grid point 611 (174/399) =======================q-point: ( 0.14 0.00 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1276Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.626 ( 5.329 9.392 25.565) 27.753 2.021 ( 6.773 -13.759 25.320) 29.602 3.131 ( 20.290 -4.467 25.785) 33.113 3.313 ( 14.676 -1.707 8.032) 16.817 3.952 ( -0.403 4.180 6.953) 8.123 4.434 ( -3.924 13.094 -6.156) 14.992 4.585 ( 9.308 -0.191 -2.390) 9.612 5.216 ( 0.119 -6.190 -3.414) 7.070 5.257 ( 2.506 -3.130 -2.259) 4.602 6.734 ( 2.335 9.223 -8.070) 12.476 8.398 ( -5.298 13.438 5.521) 15.463 8.984 ( -12.833 -19.813 -3.492) 23.863 26.115 ( -4.591 1.715 39.880) 40.180 27.723 ( 3.270 -0.221 11.124) 11.597 29.569 ( 8.935 0.452 -10.341) 13.674 33.538 ( -3.313 0.911 -45.253) 45.384 95.349 ( -13.087 7.198 16.500) 22.256 97.028 ( -3.225 -5.990 -10.799) 12.763======================= Grid point 612 (175/399) =======================q-point: ( 0.21 0.00 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.745 ( 12.476 3.668 17.758) 22.010 2.277 ( 9.369 -16.629 19.471) 27.266 3.440 ( 7.145 2.361 3.697) 8.384 3.571 ( 16.465 -2.196 16.263) 23.247 3.971 ( 5.899 7.359 5.679) 11.009 4.276 ( -3.487 9.126 -1.795) 9.933 4.808 ( 14.722 -1.505 -1.725) 14.899 5.247 ( -1.343 -4.973 -2.642) 5.790 5.280 ( -2.116 -3.502 0.621) 4.138 6.726 ( 5.089 12.157 -13.286) 18.713 8.207 ( -7.571 7.493 3.230) 11.131 8.871 ( -13.412 -16.175 -2.130) 21.120 26.031 ( -3.445 1.380 40.772) 40.940 27.793 ( 4.230 -0.397 12.501) 13.203 29.730 ( 9.092 0.773 -9.671) 13.296 33.460 ( -4.271 1.347 -44.518) 44.743 95.099 ( -9.595 5.181 19.440) 22.289 97.001 ( -3.916 -5.224 -10.444) 12.317======================= Grid point 613 (176/399) =======================q-point: ( 0.29 0.00 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1276Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.001 ( 15.764 -2.350 10.200) 18.923 2.571 ( 10.365 -15.682 13.663) 23.238 3.434 ( -2.501 2.930 -2.510) 4.598 3.832 ( 9.309 10.054 9.195) 16.501 3.980 ( 2.981 6.394 2.474) 7.476 4.259 ( 5.567 0.019 7.244) 9.136 5.097 ( 10.325 -1.241 -0.794) 10.429 5.205 ( -1.725 -2.222 0.531) 2.862 5.304 ( 2.600 -6.070 -3.926) 7.682 6.747 ( 6.668 12.921 -16.944) 22.328 8.027 ( -8.766 1.783 2.124) 9.195 8.735 ( -12.048 -11.364 -1.059) 16.595 25.972 ( -2.265 1.005 40.825) 40.900 27.876 ( 4.401 -0.525 14.032) 14.716 29.880 ( 7.986 0.799 -8.466) 11.665 33.371 ( -4.408 1.516 -43.624) 43.872 94.931 ( -5.920 3.281 19.672) 20.803 96.964 ( -3.668 -4.070 -9.921) 11.334======================= Grid point 614 (177/399) =======================q-point: ( 0.36 0.00 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.320 ( 15.759 -6.084 4.797) 17.560 2.848 ( 8.998 -12.047 8.520) 17.283 3.356 ( -2.794 4.200 -2.997) 5.867 3.747 ( -5.079 9.419 -0.792) 10.730 4.043 ( 4.760 5.931 10.332) 12.829 4.397 ( 6.838 -0.429 6.416) 9.386 5.059 ( -4.787 -1.218 4.144) 6.448 5.258 ( 0.076 -2.696 -6.545) 7.078 5.554 ( 16.175 -4.815 -6.746) 18.175 6.776 ( 5.732 11.737 -19.182) 23.207 7.872 ( -8.143 -1.761 3.349) 8.979 8.603 ( -9.345 -6.962 -0.427) 11.661 25.934 ( -1.371 0.677 40.658) 40.686 27.953 ( 3.656 -0.513 15.420) 15.856 30.001 ( 5.957 0.616 -7.418) 9.534 33.287 ( -3.632 1.313 -42.770) 42.944 94.832 ( -3.259 1.911 19.097) 19.467 96.929 ( -2.767 -2.803 -9.462) 10.249======================= Grid point 615 (178/399) =======================q-point: ( 0.43 0.00 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1276Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.634 ( 13.362 -7.423 1.324) 15.343 3.008 ( 0.611 -2.567 2.339) 3.526 3.317 ( 2.542 0.929 -0.041) 2.707 3.587 ( -6.783 4.931 0.650) 8.411 4.063 ( 1.946 3.915 10.362) 11.246 4.452 ( -0.079 1.444 4.409) 4.640 5.034 ( 0.480 -1.567 2.120) 2.680 5.266 ( -0.535 -1.426 -7.084) 7.246 5.837 ( 10.753 -3.406 -10.490) 15.404 6.784 ( 2.722 7.825 -20.591) 22.195 7.766 ( -4.949 -2.264 6.022) 8.117 8.504 ( -5.285 -3.236 -0.180) 6.200 25.912 ( -0.655 0.348 40.521) 40.528 28.009 ( 2.079 -0.319 16.388) 16.522 30.081 ( 3.190 0.328 -6.781) 7.501 33.227 ( -2.054 0.762 -42.158) 42.215 94.782 ( -1.426 0.884 18.569) 18.645 96.905 ( -1.474 -1.437 -9.162) 9.390======================= Grid point 616 (179/399) =======================q-point: (-0.50 0.00 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 650Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.858 ( 0.000 -0.000 0.141) 0.141 2.930 ( -0.000 0.000 -1.298) 1.298 3.411 ( 0.000 -0.000 3.317) 3.317 3.454 ( -0.000 0.000 0.775) 0.775 4.068 ( 0.000 -0.000 10.238) 10.238 4.433 ( 0.000 -0.000 3.781) 3.781 5.053 ( 0.000 -0.000 1.005) 1.005 5.265 ( 0.000 -0.000 -7.266) 7.266 5.952 ( 0.000 -0.000 -12.242) 12.242 6.777 ( 0.000 -0.000 -20.960) 20.960 7.729 ( 0.000 -0.000 7.409) 7.409 8.467 ( 0.000 -0.000 -0.131) 0.131 25.905 ( 0.000 -0.000 40.474) 40.474 28.029 ( 0.000 -0.000 16.735) 16.735 30.109 ( 0.000 -0.000 -6.575) 6.575 33.206 ( 0.000 -0.000 -41.936) 41.936 94.766 ( 0.000 -0.000 18.372) 18.372 96.897 ( 0.000 -0.000 -9.059) 9.059======================= Grid point 625 (180/399) =======================q-point: ( 0.07 0.07 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 686Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.754 ( 7.030 -0.000 23.116) 24.161 1.865 ( 2.377 -0.000 30.816) 30.907 3.096 ( 23.548 -0.000 26.484) 35.439 3.305 ( 14.278 -0.000 6.806) 15.818 3.979 ( -0.295 0.000 8.020) 8.025 4.551 ( -6.067 0.000 -9.190) 11.012 4.577 ( 9.700 -0.000 -1.706) 9.849 5.148 ( -0.179 0.000 -1.790) 1.799 5.244 ( 3.698 -0.000 -2.725) 4.594 6.797 ( 1.948 -0.000 -6.652) 6.931 8.577 ( -3.359 0.000 5.932) 6.817 8.762 ( -14.546 0.000 -5.259) 15.468 26.128 ( -4.960 0.000 39.755) 40.063 27.721 ( 3.243 -0.000 11.133) 11.595 29.573 ( 9.042 -0.000 -10.530) 13.880 33.544 ( -3.291 0.000 -45.128) 45.248 95.403 ( -14.857 0.000 15.602) 21.545 96.983 ( -2.156 0.000 -9.574) 9.813======================= Grid point 626 (181/399) =======================q-point: ( 0.14 0.07 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.853 ( 10.533 11.451 21.050) 26.176 2.047 ( 9.456 -15.849 21.085) 28.021 3.467 ( 4.813 1.405 1.425) 5.212 3.542 ( 22.854 -1.560 18.495) 29.441 4.036 ( 6.699 2.141 9.314) 11.671 4.397 ( -7.794 6.139 -7.528) 12.455 4.792 ( 14.285 -0.706 -1.388) 14.370 5.165 ( 0.081 -4.321 -2.623) 5.055 5.260 ( -2.266 -0.507 1.715) 2.886 6.836 ( 3.881 3.809 -10.440) 11.771 8.375 ( -9.565 15.901 -0.261) 18.558 8.625 ( -10.701 -18.565 -1.307) 21.468 26.045 ( -3.856 0.520 40.861) 41.046 27.789 ( 4.194 -0.146 12.516) 13.201 29.738 ( 9.091 0.309 -9.922) 13.461 33.473 ( -4.307 0.462 -44.398) 44.609 95.152 ( -11.467 2.098 19.234) 22.491 96.948 ( -2.646 -2.131 -9.275) 9.878======================= Grid point 627 (182/399) =======================q-point: ( 0.21 0.07 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.016 ( 13.501 4.203 15.368) 20.883 2.360 ( 12.886 -14.038 13.205) 23.184 3.461 ( -2.491 1.152 -1.816) 3.291 3.930 ( 18.346 4.069 13.156) 22.939 4.093 ( -0.263 8.335 0.853) 8.383 4.256 ( -0.951 -0.401 2.568) 2.767 5.081 ( 12.863 -1.048 -2.366) 13.121 5.179 ( -4.100 -1.362 2.901) 5.204 5.224 ( 3.381 -5.010 -3.126) 6.804 6.881 ( 4.829 6.279 -13.772) 15.887 8.101 ( -10.871 8.357 -1.715) 13.819 8.561 ( -8.705 -12.925 -0.530) 15.592 25.983 ( -2.587 0.580 41.036) 41.122 27.870 ( 4.405 -0.304 14.049) 14.727 29.889 ( 7.862 0.500 -8.593) 11.658 33.387 ( -4.587 0.817 -43.558) 43.806 94.969 ( -7.256 2.025 19.887) 21.266 96.917 ( -2.515 -2.517 -9.019) 9.696======================= Grid point 628 (183/399) =======================q-point: ( 0.29 0.07 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.265 ( 14.467 -1.858 9.258) 17.276 2.684 ( 12.894 -10.966 7.598) 18.553 3.395 ( -3.335 1.688 -2.221) 4.348 3.894 ( -7.869 10.624 -2.686) 13.491 4.125 ( 4.496 5.635 9.433) 11.872 4.376 ( 8.338 -2.629 6.780) 11.064 5.050 ( -4.949 -0.133 4.277) 6.542 5.210 ( 0.333 -3.947 -5.166) 6.510 5.494 ( 16.934 -3.666 -6.159) 18.388 6.911 ( 3.327 7.397 -17.254) 19.065 7.880 ( -8.972 2.803 0.714) 9.427 8.495 ( -6.509 -8.200 -0.410) 10.478 25.942 ( -1.637 0.476 40.865) 40.900 27.947 ( 3.747 -0.380 15.433) 15.886 30.009 ( 5.773 0.491 -7.410) 9.406 33.302 ( -3.991 0.887 -42.753) 42.948 94.856 ( -4.167 1.432 19.384) 19.879 96.894 ( -1.706 -2.106 -8.836) 9.242======================= Grid point 629 (184/399) =======================q-point: ( 0.36 0.07 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.543 ( 12.987 -5.504 4.312) 14.750 2.946 ( 8.352 -5.405 3.378) 10.506 3.335 ( -1.213 1.095 -1.662) 2.331 3.675 ( -8.865 7.380 -0.829) 11.565 4.124 ( 0.159 4.273 9.999) 10.875 4.461 ( -0.274 0.085 4.472) 4.481 5.023 ( 1.945 0.104 2.304) 3.017 5.235 ( -0.061 -2.888 -6.239) 6.875 5.785 ( 11.622 -3.758 -9.627) 15.552 6.883 ( -1.481 6.127 -20.355) 21.309 7.753 ( -3.626 0.395 5.014) 6.200 8.450 ( -2.993 -4.357 -0.272) 5.293 25.916 ( -0.914 0.274 40.647) 40.658 28.005 ( 2.264 -0.295 16.392) 16.551 30.086 ( 2.986 0.336 -6.731) 7.371 33.237 ( -2.572 0.594 -42.161) 42.244 94.793 ( -2.116 0.754 18.752) 18.886 96.886 ( -0.434 -1.243 -8.829) 8.926======================= Grid point 630 (185/399) =======================q-point: ( 0.43 0.07 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.788 ( 8.500 -6.644 0.871) 10.824 2.986 ( -3.615 4.788 -0.692) 6.039 3.390 ( 6.047 -2.869 0.625) 6.722 3.484 ( -7.730 4.081 1.856) 8.937 4.085 ( -1.924 2.214 10.363) 10.771 4.425 ( -2.202 -1.056 3.632) 4.377 5.066 ( 2.123 1.822 0.628) 2.868 5.253 ( 0.475 -1.609 -6.832) 7.035 5.936 ( 2.069 -2.161 -11.988) 12.355 6.783 ( -6.181 0.767 -20.385) 21.315 7.741 ( 2.697 1.633 6.770) 7.469 8.458 ( 1.885 -1.211 -0.084) 2.242 25.905 ( -0.269 -0.013 40.479) 40.480 28.029 ( 0.235 -0.049 16.730) 16.732 30.110 ( -0.212 0.085 -6.574) 6.578 33.206 ( -0.603 -0.016 -41.935) 41.940 94.766 ( -0.632 0.025 18.371) 18.382 96.896 ( 1.053 -0.066 -9.047) 9.109======================= Grid point 631 (186/399) =======================q-point: (-0.50 0.07 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.740 ( -11.804 7.423 -0.327) 13.948 3.002 ( 5.151 -2.841 -0.532) 5.906 3.327 ( -6.488 2.280 2.873) 7.453 3.535 ( 6.404 -2.872 0.773) 7.061 4.027 ( -3.723 -1.000 10.963) 11.621 4.419 ( -0.899 -3.215 3.928) 5.155 5.066 ( 0.512 3.012 1.221) 3.290 5.273 ( 0.833 -0.337 -7.033) 7.090 5.874 ( -8.946 1.746 -11.292) 14.511 6.677 ( -7.664 -7.081 -19.253) 21.899 7.812 ( 6.873 3.989 5.663) 9.758 8.537 ( 7.007 1.524 0.107) 7.172 25.907 ( 0.376 -0.357 40.390) 40.393 28.013 ( -1.872 0.266 16.373) 16.482 30.077 ( -3.407 -0.227 -6.842) 7.647 33.216 ( 1.471 -0.785 -42.152) 42.185 94.770 ( 0.713 -0.826 18.365) 18.397 96.925 ( 2.553 1.319 -9.496) 9.921======================= Grid point 632 (187/399) =======================q-point: (-0.43 0.07 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.430 ( -15.278 9.419 1.640) 18.022 2.999 ( -4.810 8.696 6.680) 11.974 3.278 ( 0.722 -6.274 -2.467) 6.780 3.651 ( 3.480 -4.251 0.347) 5.505 3.971 ( -4.621 -4.074 11.512) 13.057 4.386 ( -5.951 -2.215 5.519) 8.413 5.082 ( 3.884 2.003 3.404) 5.540 5.281 ( -0.162 0.611 -7.032) 7.061 5.622 ( -14.957 4.787 -7.603) 17.447 6.600 ( -8.875 -12.958 -19.139) 24.758 7.923 ( 8.797 5.168 4.109) 10.999 8.682 ( 11.063 4.327 0.135) 11.880 25.924 ( 1.063 -0.739 40.401) 40.421 27.961 ( -3.540 0.520 15.397) 15.807 29.993 ( -6.160 -0.558 -7.454) 9.686 33.267 ( 3.167 -1.498 -42.783) 42.926 94.805 ( 2.278 -1.933 18.731) 18.968 96.969 ( 3.897 2.817 -10.162) 11.243======================= Grid point 633 (188/399) =======================q-point: (-0.36 0.07 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.080 ( -15.959 8.750 5.668) 19.062 2.780 ( -9.317 13.843 11.984) 20.544 3.370 ( 2.806 -6.721 -3.795) 8.213 3.692 ( -5.202 -8.290 5.843) 11.398 3.916 ( -3.869 -3.227 7.563) 9.088 4.252 ( -8.551 -1.229 7.643) 11.535 5.115 ( -7.244 1.479 1.044) 7.466 5.232 ( -0.518 1.363 -3.027) 3.360 5.384 ( -3.262 5.310 -3.406) 7.102 6.536 ( -9.414 -16.678 -18.923) 26.924 8.049 ( 8.762 4.537 3.872) 10.599 8.867 ( 13.721 7.517 -0.276) 15.648 25.956 ( 1.852 -1.190 40.502) 40.562 27.884 ( -4.391 0.615 14.004) 14.689 29.868 ( -8.120 -0.830 -8.345) 11.673 33.346 ( 4.118 -1.964 -43.696) 43.934 94.883 ( 4.365 -3.560 19.302) 20.107 97.024 ( 4.926 4.388 -11.034) 12.856======================= Grid point 634 (189/399) =======================q-point: (-0.29 0.07 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.758 ( -13.532 5.484 12.530) 19.241 2.495 ( -10.939 14.451 16.466) 24.488 3.403 ( -6.563 -3.094 3.066) 7.877 3.581 ( -8.318 -2.052 13.892) 16.321 3.860 ( -6.494 -6.142 3.988) 9.788 4.172 ( -1.472 -5.843 3.940) 7.199 4.835 ( -15.429 2.478 -2.053) 15.761 5.278 ( 1.888 1.089 -0.367) 2.211 5.357 ( 1.998 5.333 -1.670) 5.935 6.506 ( -7.340 -18.919 -16.436) 26.114 8.172 ( 7.329 2.018 5.318) 9.277 9.062 ( 14.822 11.152 -1.312) 18.595 26.008 ( 2.808 -1.820 40.547) 40.684 27.800 ( -4.291 0.546 12.472) 13.201 29.718 ( -9.052 -0.907 -9.329) 13.030 33.436 ( 4.162 -2.068 -44.688) 44.929 95.018 ( 7.055 -6.138 19.521) 21.646 97.082 ( 5.433 6.085 -12.099) 14.592======================= Grid point 635 (190/399) =======================q-point: (-0.21 0.07 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.552 ( -6.426 -0.631 21.796) 22.732 2.198 ( -11.731 11.425 21.014) 26.641 3.181 ( -14.852 1.332 18.207) 23.534 3.383 ( -12.890 9.033 15.907) 22.378 3.855 ( 0.482 -9.859 3.734) 10.553 4.254 ( 2.462 -11.377 -2.036) 11.817 4.589 ( -10.681 0.468 -2.614) 11.007 5.250 ( -3.848 1.129 -3.790) 5.518 5.351 ( 1.714 7.033 -2.105) 7.539 6.540 ( -3.401 -18.409 -10.813) 21.619 8.285 ( 5.145 -2.447 7.591) 9.491 9.231 ( 13.565 15.039 -2.976) 20.470 26.083 ( 3.709 -2.725 40.074) 40.337 27.727 ( -3.343 0.383 11.100) 11.599 29.561 ( -8.638 -0.627 -9.920) 13.169 33.519 ( 3.332 -1.810 -45.534) 45.691 95.224 ( 9.498 -10.005 18.090) 22.750 97.129 ( 5.046 7.986 -13.275) 16.293======================= Grid point 636 (191/399) =======================q-point: (-0.14 0.07 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.555 ( 3.735 -6.734 28.930) 29.937 1.928 ( -11.477 4.996 25.354) 28.276 2.927 ( -7.926 10.722 27.551) 30.608 3.061 ( -13.665 7.502 18.691) 24.338 3.959 ( 3.383 -6.989 5.596) 9.571 4.378 ( 0.125 -10.636 -4.529) 11.561 4.448 ( -4.644 -4.875 -4.831) 8.286 5.151 ( -5.475 0.240 -6.103) 8.203 5.317 ( 0.912 9.533 -3.077) 10.059 6.623 ( -0.781 -14.975 -5.403) 15.939 8.393 ( 2.638 -8.285 9.237) 12.686 9.321 ( 8.642 18.517 -4.851) 21.002 26.172 ( 3.338 -3.580 38.515) 38.825 27.678 ( -1.807 0.223 10.155) 10.317 29.428 ( -5.932 -0.040 -9.549) 11.242 33.577 ( 1.830 -1.318 -46.025) 46.080 95.480 ( 8.510 -14.083 13.549) 21.315 97.144 ( 3.128 9.790 -14.032) 17.393======================= Grid point 637 (192/399) =======================q-point: (-0.07 0.07 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 686Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.729 ( -0.000 2.719 26.666) 26.804 1.739 ( 0.000 -11.976 32.244) 34.396 2.730 ( -0.000 21.426 36.273) 42.129 2.907 ( 0.000 -1.531 15.184) 15.261 4.038 ( 0.000 -4.425 8.471) 9.557 4.360 ( 0.000 -0.641 -5.830) 5.865 4.531 ( 0.000 -15.093 -7.201) 16.723 5.093 ( 0.000 -0.004 -6.616) 6.616 5.254 ( -0.000 10.598 -2.912) 10.991 6.705 ( 0.000 -10.030 -2.903) 10.442 8.493 ( 0.000 -13.274 9.033) 16.056 9.267 ( -0.000 20.063 -5.619) 20.835 26.232 ( 0.000 -3.234 36.876) 37.018 27.660 ( -0.000 0.129 9.823) 9.824 29.369 ( -0.000 0.226 -8.932) 8.935 33.601 ( 0.000 -0.812 -46.043) 46.050 95.670 ( 0.000 -13.937 8.287) 16.214 97.102 ( -0.000 9.609 -12.931) 16.111======================= Grid point 640 (193/399) =======================q-point: ( 0.14 0.14 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 687Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.076 ( 9.205 -0.000 21.210) 23.121 2.231 ( 17.187 -0.000 9.128) 19.461 3.469 ( -2.545 0.000 -1.633) 3.024 3.957 ( 21.016 -0.000 12.835) 24.625 4.159 ( 4.777 -0.000 9.495) 10.629 4.252 ( -9.380 0.000 -6.996) 11.701 5.072 ( 13.431 -0.000 -2.898) 13.740 5.173 ( -6.566 0.000 4.392) 7.900 5.182 ( 6.073 -0.000 -3.076) 6.807 6.924 ( 4.230 -0.000 -12.183) 12.896 8.195 ( -15.396 0.000 -5.982) 16.517 8.437 ( -3.767 0.000 2.121) 4.323 25.987 ( -2.709 0.000 41.109) 41.198 27.868 ( 4.407 -0.000 14.055) 14.730 29.892 ( 7.811 -0.000 -8.649) 11.654 33.393 ( -4.645 0.000 -43.530) 43.777 94.984 ( -7.799 0.000 19.954) 21.424 96.899 ( -2.033 0.000 -8.666) 8.901======================= Grid point 641 (194/399) =======================q-point: ( 0.21 0.14 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.260 ( 11.798 0.463 13.986) 18.304 2.566 ( 16.782 -5.063 4.881) 18.196 3.409 ( -3.559 0.453 -1.713) 3.976 4.010 ( -10.483 4.967 -4.380) 12.400 4.192 ( 2.004 3.413 9.377) 10.178 4.332 ( 11.988 -2.840 6.627) 13.989 5.054 ( -4.912 0.561 4.394) 6.615 5.161 ( 1.015 -2.408 -4.048) 4.818 5.458 ( 17.244 -1.397 -5.749) 18.230 6.978 ( 2.177 2.297 -15.077) 15.405 7.930 ( -11.477 3.006 -2.641) 12.154 8.398 ( -3.006 -4.606 0.464) 5.520 25.946 ( -1.792 0.171 40.980) 41.019 27.943 ( 3.797 -0.141 15.438) 15.899 30.014 ( 5.661 0.189 -7.414) 9.330 33.311 ( -4.184 0.312 -42.740) 42.945 94.870 ( -4.728 0.535 19.541) 20.112 96.874 ( -1.046 -0.788 -8.461) 8.562======================= Grid point 642 (195/399) =======================q-point: ( 0.29 0.14 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1276Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.485 ( 11.749 -2.815 7.480) 14.210 2.878 ( 13.643 -3.814 2.128) 14.325 3.345 ( -2.862 0.367 -1.265) 3.151 3.772 ( -11.127 5.682 -2.944) 12.836 4.172 ( -1.350 2.432 9.950) 10.332 4.458 ( 0.241 -0.323 4.323) 4.342 5.034 ( 3.351 1.154 2.178) 4.160 5.192 ( 0.498 -2.856 -5.167) 5.925 5.740 ( 11.829 -2.538 -8.835) 14.981 6.947 ( -4.036 3.059 -19.022) 19.685 7.771 ( -3.705 1.754 2.957) 5.054 8.392 ( -0.504 -3.535 -0.075) 3.572 25.919 ( -1.098 0.150 40.738) 40.753 28.001 ( 2.392 -0.178 16.391) 16.565 30.090 ( 2.838 0.215 -6.699) 7.279 33.243 ( -2.926 0.323 -42.162) 42.265 94.802 ( -2.623 0.437 18.878) 19.065 96.872 ( 0.327 -0.727 -8.579) 8.616======================= Grid point 643 (196/399) =======================q-point: ( 0.36 0.14 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.704 ( 8.944 -5.112 2.437) 10.586 3.043 ( 1.963 3.464 0.042) 3.981 3.341 ( 2.666 -3.742 -0.154) 4.597 3.552 ( -8.225 5.086 -0.366) 9.678 4.118 ( -2.879 2.136 10.600) 11.190 4.408 ( -4.190 -1.122 3.394) 5.508 5.100 ( 3.755 2.855 -0.303) 4.727 5.223 ( 1.045 -2.482 -5.819) 6.412 5.899 ( 3.312 -2.812 -11.270) 12.078 6.795 ( -10.466 0.884 -19.214) 21.897 7.770 ( 4.342 2.180 5.364) 7.237 8.437 ( 3.610 -1.642 0.043) 3.966 25.905 ( -0.485 -0.016 40.490) 40.493 28.028 ( 0.423 -0.061 16.718) 16.723 30.111 ( -0.383 0.106 -6.573) 6.585 33.205 ( -1.086 -0.020 -41.935) 41.949 94.767 ( -1.141 0.031 18.370) 18.406 96.895 ( 1.901 -0.082 -9.020) 9.219======================= Grid point 644 (197/399) =======================q-point: (-0.57 0.14 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1276Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.813 ( -3.977 1.513 -0.522) 4.287 2.977 ( 0.594 1.466 -1.261) 2.023 3.349 ( -6.787 -0.695 2.185) 7.164 3.514 ( 6.821 0.672 0.928) 6.917 4.035 ( -4.681 1.788 11.418) 12.469 4.365 ( -2.721 -4.310 3.135) 5.984 5.114 ( 0.904 3.659 -0.560) 3.810 5.259 ( 1.129 -1.445 -5.953) 6.229 5.883 ( -6.579 -0.396 -11.748) 13.471 6.595 ( -12.237 -4.526 -17.182) 21.575 7.870 ( 8.538 4.096 4.676) 10.561 8.548 ( 8.173 0.144 0.440) 8.186 25.902 ( 0.132 -0.293 40.279) 40.280 28.016 ( -1.682 0.176 16.350) 16.437 30.075 ( -3.594 -0.111 -6.901) 7.781 33.206 ( 0.939 -0.646 -42.144) 42.159 94.759 ( 0.110 -0.624 18.181) 18.192 96.941 ( 3.466 0.977 -9.767) 10.410======================= Grid point 645 (198/399) =======================q-point: (-0.50 0.14 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.572 ( -13.396 10.669 -0.042) 17.126 3.050 ( 1.674 -2.234 -0.099) 2.794 3.225 ( -5.396 -0.226 2.400) 5.910 3.621 ( 3.910 -0.297 0.941) 4.033 3.939 ( -4.861 -0.328 12.342) 13.269 4.335 ( -5.473 -5.009 4.116) 8.485 5.114 ( 2.377 2.549 1.643) 3.853 5.278 ( -0.311 -0.968 -6.238) 6.320 5.682 ( -13.301 3.573 -8.883) 16.388 6.431 ( -12.131 -10.955 -17.197) 23.726 8.004 ( 10.024 6.122 3.778) 12.338 8.724 ( 11.883 1.799 0.863) 12.050 25.914 ( 0.776 -0.657 40.146) 40.159 27.967 ( -3.419 0.425 15.365) 15.747 29.986 ( -6.339 -0.394 -7.514) 9.838 33.247 ( 2.683 -1.384 -42.787) 42.893 94.780 ( 1.432 -1.597 18.361) 18.486 97.005 ( 4.854 2.305 -10.786) 12.050======================= Grid point 646 (199/399) =======================q-point: (-0.43 0.14 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1276Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.233 ( -14.586 12.812 2.341) 19.554 2.941 ( -9.033 8.802 8.960) 15.472 3.253 ( 2.422 -9.226 -4.059) 10.366 3.623 ( -5.063 -1.773 5.483) 7.671 3.887 ( -1.367 -1.012 9.156) 9.312 4.222 ( -9.483 -3.113 6.768) 12.059 5.138 ( -4.175 1.683 2.740) 5.270 5.239 ( -2.007 -0.385 -6.216) 6.543 5.451 ( -5.233 4.341 -3.292) 7.554 6.304 ( -12.362 -16.129 -18.643) 27.578 8.137 ( 9.707 7.488 4.013) 12.900 8.943 ( 14.272 3.588 0.947) 14.747 25.940 ( 1.456 -1.128 40.126) 40.168 27.892 ( -4.375 0.573 13.967) 14.647 29.857 ( -8.222 -0.663 -8.283) 11.690 33.318 ( 3.761 -2.036 -43.750) 43.958 94.836 ( 3.014 -3.099 18.839) 19.329 97.081 ( 5.919 3.776 -12.059) 13.953======================= Grid point 647 (200/399) =======================q-point: (-0.36 0.14 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.889 ( -13.083 12.881 7.199) 19.720 2.669 ( -13.213 10.353 13.273) 21.400 3.343 ( -2.670 -6.187 -0.849) 6.792 3.509 ( -6.212 -6.217 9.854) 13.204 3.844 ( -5.202 2.918 8.686) 10.537 4.102 ( -4.385 -4.617 6.144) 8.848 4.879 ( -15.692 3.800 -2.235) 16.299 5.285 ( 2.243 -0.290 -1.243) 2.581 5.414 ( 1.272 2.967 -0.106) 3.230 6.224 ( -10.125 -20.806 -18.216) 29.449 8.245 ( 8.070 7.740 5.603) 12.507 9.178 ( 15.103 5.697 0.315) 16.145 25.983 ( 2.170 -1.816 40.177) 40.276 27.808 ( -4.361 0.571 12.434) 13.189 29.706 ( -8.955 -0.767 -9.054) 12.757 33.405 ( 3.964 -2.436 -44.835) 45.076 94.936 ( 4.835 -5.517 19.306) 20.653 97.163 ( 6.477 5.325 -13.602) 15.979======================= Grid point 648 (201/399) =======================q-point: (-0.29 0.14 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1276Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.616 ( -7.462 9.608 15.056) 19.356 2.337 ( -15.751 8.754 17.780) 25.315 3.171 ( -14.304 -2.051 11.931) 18.739 3.523 ( -2.084 6.438 15.210) 16.647 3.712 ( -3.586 -6.357 5.865) 9.363 4.131 ( 1.681 -6.726 0.745) 6.973 4.604 ( -12.064 1.864 -3.013) 12.574 5.265 ( -4.236 0.992 -4.054) 5.946 5.422 ( 1.727 3.131 -0.495) 3.610 6.244 ( -4.675 -23.248 -12.948) 27.018 8.318 ( 5.604 6.426 7.939) 11.650 9.393 ( 13.603 8.261 -1.254) 15.964 26.044 ( 2.744 -2.876 40.050) 40.247 27.733 ( -3.441 0.455 11.066) 11.597 29.553 ( -8.233 -0.524 -9.522) 12.598 33.488 ( 3.279 -2.495 -45.807) 45.992 95.088 ( 6.271 -9.261 19.040) 22.082 97.235 ( 6.139 6.966 -15.422) 18.002======================= Grid point 649 (202/399) =======================q-point: (-0.21 0.14 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.521 ( 2.071 2.594 23.334) 23.568 2.003 ( -14.916 5.864 22.598) 27.704 2.952 ( -10.245 -2.427 14.828) 18.186 3.307 ( -5.918 22.201 29.736) 37.578 3.817 ( 2.865 -13.220 1.434) 13.603 4.225 ( 2.544 -8.599 -2.419) 9.288 4.423 ( -7.599 -0.723 -4.400) 8.811 5.155 ( -5.945 0.360 -6.474) 8.797 5.421 ( 1.119 5.168 -1.992) 5.651 6.357 ( -1.076 -22.376 -7.104) 23.502 8.360 ( 2.791 3.132 10.030) 10.872 9.531 ( 8.580 11.427 -3.537) 14.721 26.117 ( 2.406 -4.188 39.337) 39.633 27.682 ( -1.871 0.315 10.126) 10.302 29.428 ( -5.421 0.065 -9.352) 10.810 33.552 ( 1.853 -2.231 -46.431) 46.521 95.279 ( 5.453 -13.944 17.126) 22.748 97.276 ( 4.086 8.739 -17.129) 19.659======================= Grid point 650 (203/399) =======================q-point: (-0.14 0.14 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 687Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.603 ( 0.000 -5.807 27.665) 28.268 1.784 ( -0.000 5.066 25.882) 26.373 2.875 ( 0.000 -2.974 15.076) 15.366 3.072 ( -0.000 26.318 34.378) 43.295 3.934 ( 0.000 -10.870 4.438) 11.741 4.331 ( 0.000 -11.844 -4.300) 12.600 4.347 ( 0.000 -1.161 -5.412) 5.535 5.093 ( 0.000 -0.011 -6.922) 6.922 5.387 ( -0.000 7.702 -2.831) 8.205 6.496 ( 0.000 -19.520 -4.591) 20.052 8.380 ( 0.000 -2.125 10.763) 10.971 9.520 ( -0.000 15.181 -5.212) 16.050 26.174 ( 0.000 -4.765 38.321) 38.616 27.663 ( -0.000 0.232 9.801) 9.803 29.374 ( -0.000 0.406 -8.972) 8.981 33.583 ( 0.000 -1.773 -46.505) 46.539 95.445 ( 0.000 -16.848 14.161) 22.009 97.249 ( -0.000 10.314 -17.096) 19.966======================= Grid point 655 (204/399) =======================q-point: ( 0.21 0.21 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 686Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.465 ( 11.044 -0.000 8.912) 14.191 2.851 ( 15.620 -0.000 1.273) 15.672 3.347 ( -3.330 0.000 -0.955) 3.464 3.814 ( -12.146 0.000 -3.919) 12.762 4.189 ( -2.013 0.000 10.002) 10.202 4.456 ( 0.685 -0.000 4.248) 4.303 5.045 ( 3.995 -0.000 2.181) 4.552 5.169 ( 0.712 -0.000 -4.773) 4.825 5.721 ( 11.823 -0.000 -8.481) 14.551 6.968 ( -4.807 0.000 -18.269) 18.891 7.787 ( -4.207 0.000 1.818) 4.583 8.365 ( 0.762 -0.000 0.120) 0.771 25.920 ( -1.164 0.000 40.772) 40.788 28.000 ( 2.437 -0.000 16.389) 16.569 30.092 ( 2.784 -0.000 -6.689) 7.245 33.246 ( -3.052 0.000 -42.162) 42.273 94.805 ( -2.811 0.000 18.923) 19.131 96.867 ( 0.608 -0.000 -8.486) 8.508======================= Grid point 656 (205/399) =======================q-point: ( 0.29 0.21 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.654 ( 8.894 -1.880 3.471) 9.731 3.079 ( 7.879 1.513 0.205) 8.026 3.298 ( -1.877 -1.877 0.116) 2.657 3.607 ( -8.492 2.298 -2.506) 9.147 4.137 ( -3.226 0.642 10.691) 11.186 4.398 ( -5.386 -0.351 3.379) 6.368 5.139 ( 4.976 2.449 -0.936) 5.624 5.189 ( 1.147 -2.235 -5.178) 5.755 5.868 ( 3.746 -1.309 -10.543) 11.266 6.805 ( -12.431 0.370 -18.383) 22.194 7.794 ( 4.863 1.031 4.258) 6.545 8.418 ( 4.756 -0.788 0.175) 4.824 25.904 ( -0.605 -0.007 40.499) 40.503 28.027 ( 0.528 -0.027 16.708) 16.716 30.112 ( -0.478 0.047 -6.573) 6.590 33.205 ( -1.354 -0.009 -41.934) 41.956 94.767 ( -1.425 0.014 18.370) 18.425 96.894 ( 2.373 -0.037 -8.998) 9.306======================= Grid point 657 (206/399) =======================q-point: (-0.64 0.21 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.794 ( 3.921 -2.325 -0.396) 4.576 3.044 ( -5.588 6.350 -0.801) 8.496 3.299 ( -3.907 -5.385 1.335) 6.786 3.551 ( 4.965 3.440 0.111) 6.041 4.062 ( -4.432 1.628 11.549) 12.477 4.310 ( -5.197 -3.236 2.497) 6.612 5.161 ( 0.756 2.919 -3.345) 4.504 5.238 ( 1.609 -1.496 -3.781) 4.373 5.869 ( -4.721 -1.230 -11.565) 12.552 6.552 ( -15.281 -1.884 -15.600) 21.919 7.918 ( 9.576 2.611 3.787) 10.624 8.546 ( 8.850 -0.351 0.705) 8.885 25.899 ( -0.033 -0.166 40.206) 40.206 28.018 ( -1.550 0.083 16.330) 16.403 30.074 ( -3.719 -0.034 -6.943) 7.877 33.199 ( 0.568 -0.364 -42.138) 42.143 94.753 ( -0.287 -0.333 18.054) 18.059 96.951 ( 4.070 0.513 -9.938) 10.751======================= Grid point 658 (207/399) =======================q-point: (-0.57 0.21 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.714 ( -9.980 9.294 -0.646) 13.653 2.986 ( 0.657 -4.947 -2.737) 5.692 3.229 ( -5.584 -0.712 3.116) 6.434 3.641 ( 5.200 2.996 2.020) 6.332 3.956 ( -5.266 2.354 12.268) 13.556 4.251 ( -5.915 -6.698 2.327) 9.234 5.151 ( 0.843 2.611 -1.376) 3.069 5.259 ( -0.399 -1.535 -4.061) 4.360 5.718 ( -11.344 1.634 -10.312) 15.417 6.306 ( -15.046 -6.844 -14.301) 21.858 8.083 ( 11.236 4.887 3.171) 12.656 8.736 ( 12.085 0.195 1.505) 12.180 25.906 ( 0.562 -0.451 39.943) 39.950 27.972 ( -3.319 0.271 15.334) 15.692 29.982 ( -6.468 -0.215 -7.577) 9.964 33.230 ( 2.285 -0.976 -42.784) 42.856 94.762 ( 0.832 -1.035 18.064) 18.112 97.031 ( 5.518 1.479 -11.237) 12.606======================= Grid point 659 (208/399) =======================q-point: (-0.50 0.21 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.422 ( -12.304 13.886 0.486) 18.559 2.996 ( -6.722 -2.232 3.051) 7.712 3.155 ( -0.659 -3.103 -0.628) 3.234 3.633 ( -5.129 2.795 5.404) 7.958 3.887 ( -0.007 0.884 9.470) 9.511 4.163 ( -8.723 -5.440 5.004) 11.433 5.161 ( -1.050 1.529 3.003) 3.530 5.226 ( -3.601 -1.156 -7.187) 8.122 5.502 ( -7.553 2.893 -4.991) 9.504 6.104 ( -14.846 -12.229 -15.998) 25.018 8.243 ( 10.973 7.376 3.503) 13.678 8.971 ( 14.053 0.654 2.183) 14.236 25.926 ( 1.147 -0.866 39.775) 39.801 27.899 ( -4.355 0.431 13.928) 14.599 29.850 ( -8.283 -0.422 -8.280) 11.719 33.292 ( 3.412 -1.680 -43.780) 43.945 94.799 ( 2.041 -2.219 18.395) 18.641 97.127 ( 6.551 2.665 -12.833) 14.653======================= Grid point 660 (209/399) =======================q-point: (-0.43 0.21 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.098 ( -11.414 16.618 3.360) 20.439 2.777 ( -14.371 5.041 10.636) 18.576 3.231 ( 1.504 -8.807 -3.787) 9.704 3.455 ( -11.785 -1.552 8.956) 14.883 3.901 ( 0.773 4.168 8.157) 9.193 4.042 ( -6.059 -3.836 7.596) 10.446 4.941 ( -15.012 5.119 -2.464) 16.051 5.267 ( 2.711 -2.310 -2.191) 4.182 5.442 ( -0.060 1.069 1.049) 1.499 5.950 ( -13.046 -17.931 -17.972) 28.543 8.368 ( 9.239 9.448 4.979) 14.121 9.225 ( 14.534 1.210 2.199) 14.749 25.959 ( 1.668 -1.484 39.735) 39.798 27.815 ( -4.423 0.486 12.393) 13.168 29.697 ( -8.829 -0.512 -8.903) 12.549 33.371 ( 3.717 -2.299 -44.931) 45.143 94.868 ( 3.260 -4.142 18.895) 19.617 97.227 ( 6.975 3.872 -14.696) 16.722======================= Grid point 661 (210/399) =======================q-point: (-0.36 0.21 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.804 ( -7.422 16.819 8.702) 20.339 2.444 ( -17.386 6.639 15.755) 24.384 3.135 ( -15.012 -3.005 9.138) 17.829 3.435 ( 2.996 -12.511 -0.613) 12.879 3.799 ( -3.862 12.082 19.053) 22.889 4.054 ( 2.180 -4.614 1.011) 5.202 4.645 ( -13.311 4.194 -3.270) 14.334 5.276 ( -3.745 0.446 -4.195) 5.641 5.439 ( 0.347 -0.586 1.459) 1.611 5.920 ( -5.658 -22.640 -13.974) 27.200 8.441 ( 6.472 10.464 7.122) 14.216 9.464 ( 12.859 2.174 1.181) 13.094 26.006 ( 1.977 -2.432 39.745) 39.868 27.739 ( -3.539 0.435 11.026) 11.588 29.547 ( -7.828 -0.312 -9.271) 12.138 33.452 ( 3.148 -2.696 -45.994) 46.181 94.974 ( 4.048 -7.080 19.189) 20.851 97.319 ( 6.427 4.972 -16.786) 18.650======================= Grid point 662 (211/399) =======================q-point: (-0.29 0.21 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.631 ( 0.297 12.858 15.377) 20.046 2.091 ( -15.535 6.750 20.844) 26.858 2.904 ( -11.413 -4.124 13.395) 18.075 3.578 ( 2.805 0.108 11.098) 11.447 3.648 ( -1.802 5.351 15.186) 16.202 4.141 ( 3.668 -4.065 -2.366) 5.964 4.422 ( -9.149 0.799 -4.559) 10.253 5.161 ( -6.522 0.420 -6.862) 9.476 5.458 ( 0.909 0.091 -0.202) 0.935 6.030 ( -1.011 -23.710 -7.856) 24.998 8.457 ( 3.213 9.914 9.172) 13.883 9.637 ( 8.037 3.981 -0.809) 9.006 26.061 ( 1.630 -3.678 39.590) 39.794 27.686 ( -1.941 0.343 10.090) 10.281 29.430 ( -4.924 0.186 -9.230) 10.463 33.517 ( 1.816 -2.795 -46.722) 46.841 95.106 ( 3.364 -10.864 18.778) 21.953 97.379 ( 4.219 6.055 -18.768) 20.167======================= Grid point 663 (212/399) =======================q-point: (-0.21 0.21 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 686Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.603 ( -0.000 5.997 19.666) 20.560 1.867 ( -0.000 6.759 24.869) 25.771 2.825 ( 0.000 -4.232 14.874) 15.464 3.435 ( -0.000 25.294 31.821) 40.649 3.745 ( 0.000 -15.424 0.051) 15.424 4.218 ( 0.000 -4.799 -3.819) 6.133 4.329 ( 0.000 -1.461 -4.817) 5.034 5.093 ( 0.000 -0.019 -7.350) 7.350 5.458 ( -0.000 2.501 -1.231) 2.787 6.188 ( 0.000 -23.701 -5.613) 24.357 8.424 ( -0.000 7.475 10.381) 12.792 9.675 ( -0.000 7.148 -2.841) 7.692 26.107 ( 0.000 -4.591 39.256) 39.524 27.666 ( -0.000 0.289 9.768) 9.773 29.380 ( -0.000 0.506 -9.030) 9.044 33.552 ( 0.000 -2.603 -46.895) 46.968 95.228 ( 0.000 -14.010 17.683) 22.560 97.373 ( -0.000 7.453 -19.386) 20.769======================= Grid point 670 (213/399) =======================q-point: ( 0.29 0.29 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 687Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.776 ( 5.161 -0.000 -0.326) 5.171 3.105 ( -6.773 0.000 -0.654) 6.805 3.245 ( -2.408 0.000 1.373) 2.772 3.579 ( 4.586 -0.000 -0.580) 4.622 4.074 ( -3.999 0.000 11.467) 12.144 4.286 ( -6.621 0.000 2.376) 7.034 5.185 ( 0.229 -0.000 -6.439) 6.443 5.224 ( 2.239 -0.000 -0.975) 2.443 5.859 ( -4.071 0.000 -11.303) 12.014 6.539 ( -16.286 0.000 -15.068) 22.187 7.937 ( 9.920 -0.000 3.439) 10.499 8.543 ( 9.075 -0.000 0.809) 9.111 25.898 ( -0.092 0.000 40.180) 40.181 28.019 ( -1.502 0.000 16.321) 16.390 30.074 ( -3.763 0.000 -6.958) 7.911 33.197 ( 0.435 -0.000 -42.135) 42.138 94.750 ( -0.425 0.000 18.008) 18.013 96.955 ( 4.280 -0.000 -9.996) 10.874======================= Grid point 671 (214/399) =======================q-point: (-0.64 0.29 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.814 ( -2.405 4.295 -1.448) 5.131 2.935 ( -7.589 -2.088 -1.861) 8.088 3.208 ( -3.022 -1.461 2.061) 3.939 3.686 ( 6.043 2.383 3.098) 7.197 3.990 ( -4.712 1.921 11.878) 12.922 4.168 ( -7.713 -4.162 0.562) 8.782 5.181 ( -0.004 1.479 -5.825) 6.010 5.240 ( -0.527 -1.026 -0.187) 1.168 5.730 ( -9.863 0.281 -11.215) 14.938 6.243 ( -16.886 -2.203 -12.161) 20.926 8.132 ( 12.010 1.887 2.748) 12.464 8.735 ( 12.018 -0.153 1.891) 12.167 25.902 ( 0.449 -0.160 39.831) 39.834 27.975 ( -3.262 0.092 15.315) 15.658 29.980 ( -6.534 -0.065 -7.617) 10.036 33.221 ( 2.059 -0.352 -42.781) 42.832 94.752 ( 0.525 -0.357 17.898) 17.910 97.045 ( 5.852 0.507 -11.470) 12.887======================= Grid point 672 (215/399) =======================q-point: (-0.57 0.29 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1276Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.607 ( -9.819 12.416 -0.413) 15.835 2.907 ( -4.332 -8.475 -0.786) 9.550 3.148 ( -3.577 0.317 1.946) 4.085 3.689 ( -5.415 4.619 6.106) 9.378 3.906 ( -0.930 1.737 9.489) 9.692 4.076 ( -6.592 -6.481 2.079) 9.475 5.174 ( -0.449 0.183 -3.746) 3.777 5.218 ( -2.926 0.123 -0.450) 2.963 5.530 ( -9.805 1.067 -8.233) 12.847 5.973 ( -16.303 -6.346 -11.933) 21.177 8.329 ( 12.122 4.677 2.921) 13.317 8.969 ( 13.490 -0.538 3.150) 13.863 25.917 ( 0.958 -0.467 39.526) 39.540 27.904 ( -4.338 0.228 13.898) 14.561 29.846 ( -8.313 -0.195 -8.302) 11.750 33.273 ( 3.159 -0.949 -43.792) 43.916 94.775 ( 1.470 -1.145 18.079) 18.175 97.155 ( 6.879 1.359 -13.302) 15.037======================= Grid point 673 (216/399) =======================q-point: (-0.50 0.29 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.332 ( -9.222 16.510 1.269) 18.953 2.801 ( -12.393 -1.945 7.658) 14.697 3.127 ( 0.020 -5.496 -2.270) 5.947 3.454 ( -16.041 1.045 7.136) 17.587 3.929 ( 2.562 -0.900 5.262) 5.922 4.012 ( -3.190 0.201 8.436) 9.021 5.015 ( -13.359 5.151 -4.412) 14.982 5.229 ( 2.296 -2.518 -1.450) 3.703 5.439 ( -1.326 -1.679 -0.271) 2.157 5.744 ( -15.356 -11.020 -14.544) 23.849 8.492 ( 10.520 7.902 4.096) 13.780 9.221 ( 13.514 -1.292 3.945) 14.137 25.942 ( 1.343 -0.954 39.343) 39.378 27.821 ( -4.466 0.322 12.357) 13.143 29.692 ( -8.719 -0.269 -8.848) 12.425 33.343 ( 3.493 -1.642 -44.983) 45.148 94.822 ( 2.304 -2.515 18.487) 18.799 97.270 ( 7.132 2.283 -15.369) 17.097======================= Grid point 674 (217/399) =======================q-point: (-0.43 0.29 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1276Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.060 ( -6.564 19.239 4.753) 20.876 2.521 ( -16.530 4.278 14.205) 22.212 3.092 ( -15.160 -3.024 6.460) 16.754 3.263 ( -0.919 -11.724 -0.390) 11.766 3.952 ( 0.009 9.033 15.683) 18.098 4.000 ( 3.696 -2.992 0.530) 4.785 4.719 ( -13.998 6.126 -4.219) 15.851 5.272 ( -1.430 -1.310 -3.363) 3.882 5.414 ( -3.521 -2.568 1.617) 4.648 5.637 ( -5.693 -17.302 -12.490) 22.086 8.591 ( 7.524 10.644 5.942) 14.325 9.463 ( 11.672 -1.911 3.709) 12.395 25.977 ( 1.477 -1.698 39.308) 39.372 27.745 ( -3.617 0.337 10.989) 11.574 29.544 ( -7.506 -0.133 -9.157) 11.841 33.416 ( 2.988 -2.276 -46.100) 46.253 94.892 ( 2.711 -4.623 18.925) 19.669 97.374 ( 6.311 3.036 -17.525) 18.873======================= Grid point 675 (218/399) =======================q-point: (-0.36 0.29 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.857 ( -0.584 18.749 9.280) 20.928 2.188 ( -14.714 7.223 19.116) 25.181 2.842 ( -12.401 -4.694 12.575) 18.275 3.389 ( 2.105 -15.242 -2.440) 15.579 3.878 ( 0.833 15.245 22.611) 27.283 4.103 ( 5.780 -1.545 -3.447) 6.905 4.451 ( -11.483 3.445 -4.628) 12.851 5.166 ( -7.141 0.358 -7.209) 10.154 5.424 ( 0.332 -4.921 0.307) 4.942 5.726 ( -0.289 -19.183 -6.214) 20.167 8.614 ( 3.773 12.087 7.794) 14.869 9.650 ( 7.197 -1.634 2.372) 7.752 26.017 ( 1.122 -2.689 39.350) 39.457 27.691 ( -2.002 0.304 10.054) 10.256 29.433 ( -4.539 0.237 -9.188) 10.250 33.477 ( 1.739 -2.724 -46.886) 46.997 94.979 ( 2.128 -7.363 19.116) 20.595 97.446 ( 3.982 3.644 -19.430) 20.166======================= Grid point 676 (219/399) =======================q-point: (-0.29 0.29 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 687Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.760 ( -0.000 15.893 11.247) 19.470 1.967 ( -0.000 7.609 23.949) 25.128 2.759 ( 0.000 -5.163 14.534) 15.424 3.521 ( 0.000 -16.038 -1.825) 16.142 3.761 ( -0.000 20.400 27.744) 34.436 4.189 ( -0.000 0.627 -6.121) 6.153 4.308 ( 0.000 -1.476 -4.168) 4.422 5.093 ( 0.000 -0.024 -7.804) 7.804 5.456 ( 0.000 -2.753 0.063) 2.754 5.867 ( 0.000 -21.656 -5.265) 22.286 8.563 ( -0.000 11.861 9.022) 14.902 9.724 ( -0.000 0.274 0.526) 0.593 26.050 ( 0.000 -3.571 39.399) 39.560 27.670 ( -0.000 0.290 9.733) 9.737 29.387 ( -0.000 0.506 -9.094) 9.108 33.513 ( 0.000 -2.899 -47.126) 47.215 95.062 ( 0.000 -9.936 18.952) 21.399 97.456 ( -0.000 4.565 -20.216) 20.725======================= Grid point 685 (220/399) =======================q-point: (-0.64 0.36 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 686Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.740 ( -9.447 0.000 -1.637) 9.588 2.801 ( -3.816 0.000 0.034) 3.817 3.150 ( -3.502 0.000 1.776) 3.926 3.730 ( -5.491 0.000 7.264) 9.106 3.926 ( -3.244 0.000 10.726) 11.206 4.017 ( -4.072 0.000 -1.404) 4.307 5.173 ( -2.065 0.000 -8.618) 8.862 5.221 ( -0.642 0.000 4.629) 4.673 5.536 ( -10.998 0.000 -10.188) 14.992 5.929 ( -16.674 0.000 -9.739) 19.310 8.363 ( 12.620 -0.000 2.656) 12.896 8.964 ( 13.178 -0.000 3.539) 13.645 25.913 ( 0.894 -0.000 39.436) 39.447 27.905 ( -4.331 0.000 13.887) 14.547 29.844 ( -8.321 0.000 -8.314) 11.763 33.266 ( 3.066 -0.000 -43.795) 43.902 94.767 ( 1.284 -0.000 17.965) 18.011 97.164 ( 6.978 -0.000 -13.457) 15.159======================= Grid point 687 (221/399) =======================q-point: (-0.57 0.36 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.540 ( -7.308 12.373 -0.105) 14.371 2.727 ( -8.973 -7.693 4.957) 12.817 3.082 ( -3.611 -1.307 0.985) 3.964 3.472 ( -19.414 0.997 5.686) 20.254 3.902 ( 0.454 -1.585 6.410) 6.618 4.026 ( 2.489 0.791 5.382) 5.982 5.066 ( -10.775 1.663 -10.670) 15.255 5.216 ( 0.689 0.605 5.005) 5.088 5.399 ( -3.699 -3.027 -4.990) 6.909 5.651 ( -15.324 -2.874 -9.228) 18.118 8.573 ( 11.494 3.221 3.372) 12.404 9.202 ( 12.621 -1.002 5.126) 13.659 25.933 ( 1.189 -0.328 39.114) 39.134 27.824 ( -4.487 0.112 12.336) 13.128 29.689 ( -8.658 -0.081 -8.839) 12.373 33.327 ( 3.360 -0.595 -45.004) 45.133 94.799 ( 1.859 -0.839 18.242) 18.356 97.290 ( 7.155 0.748 -15.683) 17.255======================= Grid point 688 (222/399) =======================q-point: (-0.50 0.36 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.316 ( -5.974 16.639 3.813) 18.085 2.554 ( -13.034 -0.069 11.408) 17.321 3.049 ( -9.392 -3.525 2.175) 10.265 3.126 ( -12.122 -6.987 4.384) 14.663 3.961 ( 4.601 -1.800 1.045) 5.050 4.053 ( 2.481 4.772 10.700) 11.976 4.799 ( -14.506 4.761 -8.729) 17.586 5.239 ( 0.188 -2.659 0.281) 2.680 5.381 ( -6.444 -2.094 -1.411) 6.921 5.455 ( -5.117 -8.504 -7.296) 12.318 8.720 ( 8.574 7.216 4.721) 12.161 9.425 ( 10.444 -2.845 5.859) 12.309 25.960 ( 1.210 -0.861 38.944) 38.973 27.748 ( -3.667 0.183 10.962) 11.561 29.543 ( -7.307 -0.036 -9.122) 11.688 33.391 ( 2.862 -1.300 -46.150) 46.257 94.845 ( 2.019 -2.258 18.623) 18.868 97.404 ( 6.124 1.411 -17.871) 18.943======================= Grid point 689 (223/399) =======================q-point: (-0.43 0.36 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.119 ( -1.892 17.165 9.279) 19.604 2.293 ( -11.746 8.204 14.294) 20.238 2.779 ( -13.641 -4.144 11.641) 18.406 3.180 ( 0.669 -14.571 -1.855) 14.704 4.038 ( 1.883 7.717 13.063) 15.288 4.095 ( 8.119 0.336 -1.385) 8.243 4.511 ( -13.507 4.522 -6.186) 15.529 5.167 ( -7.473 -0.444 -7.671) 10.718 5.336 ( -0.014 -6.110 -0.404) 6.123 5.515 ( 0.570 -11.396 -0.834) 11.441 8.776 ( 4.403 10.557 6.293) 13.055 9.605 ( 6.286 -4.301 5.344) 9.304 25.987 ( 0.839 -1.597 38.947) 38.988 27.694 ( -2.046 0.208 10.025) 10.234 29.436 ( -4.290 0.193 -9.188) 10.142 33.444 ( 1.660 -1.973 -46.967) 47.038 94.900 ( 1.465 -4.188 18.943) 19.456 97.484 ( 3.702 1.870 -19.640) 20.073======================= Grid point 690 (224/399) =======================q-point: (-0.36 0.36 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 686Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.019 ( -0.000 20.412 5.017) 21.020 2.073 ( -0.000 7.353 23.456) 24.582 2.685 ( 0.000 -5.444 13.961) 14.985 3.298 ( 0.000 -15.995 -2.148) 16.139 3.986 ( -0.000 11.690 19.240) 22.513 4.236 ( -0.000 5.747 -6.345) 8.561 4.289 ( 0.000 -1.195 -3.592) 3.786 5.092 ( 0.000 -0.023 -8.196) 8.196 5.386 ( 0.000 -6.798 -0.515) 6.817 5.611 ( 0.000 -14.648 -1.544) 14.729 8.735 ( -0.000 12.216 7.467) 14.317 9.695 ( 0.000 -4.050 3.930) 5.643 26.009 ( 0.000 -2.339 39.086) 39.156 27.674 ( -0.000 0.232 9.700) 9.703 29.394 ( -0.000 0.406 -9.152) 9.161 33.475 ( 0.000 -2.480 -47.242) 47.307 94.950 ( 0.000 -6.172 19.087) 20.060 97.504 ( -0.000 2.467 -20.390) 20.539======================= Grid point 701 (225/399) =======================q-point: (-0.57 0.43 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 687Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.492 ( -12.136 0.000 14.293) 18.750 2.502 ( -3.740 0.000 -1.361) 3.980 3.011 ( -3.027 0.000 0.834) 3.140 3.083 ( -22.137 0.000 7.207) 23.280 3.948 ( 5.344 -0.000 0.898) 5.419 4.087 ( 3.015 -0.000 9.110) 9.596 4.834 ( -14.963 0.000 -13.465) 20.129 5.220 ( -1.065 0.000 4.901) 5.015 5.357 ( 0.011 -0.000 -4.014) 4.014 5.403 ( -10.308 0.000 -4.202) 11.132 8.774 ( 9.098 -0.000 4.080) 9.971 9.402 ( 9.845 -0.000 6.834) 11.984 25.954 ( 1.128 -0.000 38.805) 38.822 27.749 ( -3.684 0.000 10.953) 11.555 29.543 ( -7.240 0.000 -9.116) 11.641 33.382 ( 2.815 -0.000 -46.165) 46.251 94.829 ( 1.807 -0.000 18.500) 18.588 97.414 ( 6.043 -0.000 -17.971) 18.959======================= Grid point 703 (226/399) =======================q-point: (-0.50 0.43 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.274 ( -8.182 4.772 19.963) 22.096 2.425 ( -2.853 8.496 0.923) 9.010 2.737 ( -14.997 -1.535 10.652) 18.459 3.004 ( -1.031 -8.926 -0.097) 8.986 4.085 ( 9.079 0.509 -3.871) 9.882 4.123 ( 2.349 2.283 11.437) 11.897 4.555 ( -14.845 1.450 -11.383) 18.763 5.152 ( -5.931 -1.117 -7.123) 9.336 5.302 ( -0.668 1.216 4.664) 4.866 5.391 ( 0.426 -6.440 -0.302) 6.461 8.887 ( 4.944 4.593 4.967) 8.379 9.552 ( 5.579 -2.531 7.494) 9.680 25.972 ( 0.717 -0.526 38.670) 38.680 27.696 ( -2.069 0.074 10.008) 10.220 29.438 ( -4.170 0.074 -9.197) 10.099 33.425 ( 1.612 -0.719 -47.000) 47.033 94.861 ( 1.180 -1.353 18.751) 18.837 97.500 ( 3.533 0.568 -19.688) 20.010======================= Grid point 704 (227/399) =======================q-point: (-0.43 0.43 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 687Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.163 ( -0.000 5.213 23.668) 24.236 2.297 ( -0.000 18.133 1.032) 18.163 2.615 ( 0.000 -4.172 13.043) 13.694 3.083 ( 0.000 -14.316 -1.003) 14.351 4.103 ( -0.000 5.880 11.462) 12.882 4.276 ( 0.000 -0.668 -3.198) 3.267 4.309 ( -0.000 3.325 -8.987) 9.583 5.092 ( 0.000 -0.014 -8.459) 8.459 5.308 ( 0.000 -2.846 2.130) 3.555 5.451 ( 0.000 -9.073 1.587) 9.211 8.884 ( -0.000 8.586 5.870) 10.401 9.629 ( 0.000 -4.564 6.819) 8.206 25.985 ( 0.000 -1.140 38.723) 38.740 27.677 ( -0.000 0.129 9.678) 9.679 29.398 ( -0.000 0.225 -9.191) 9.194 33.447 ( 0.000 -1.423 -47.295) 47.316 94.888 ( 0.000 -2.930 18.904) 19.130 97.527 ( -0.000 1.053 -20.369) 20.396======================= Grid point 718 (228/399) =======================q-point: ( 0.50 -0.50 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 374Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.203 ( -0.000 0.000 24.107) 24.107 2.449 ( -0.000 0.000 -1.028) 1.028 2.583 ( -0.000 0.000 12.359) 12.359 2.958 ( 0.000 -0.000 0.352) 0.352 4.148 ( -0.000 0.000 12.125) 12.125 4.271 ( -0.000 0.000 -3.058) 3.058 4.326 ( -0.000 0.000 -15.250) 15.250 5.092 ( -0.000 0.000 -8.551) 8.551 5.307 ( -0.000 0.000 10.337) 10.337 5.370 ( -0.000 0.000 -2.812) 2.812 8.949 ( -0.000 0.000 4.969) 4.969 9.593 ( -0.000 0.000 8.182) 8.182 25.977 ( -0.000 0.000 38.573) 38.573 27.678 ( -0.000 0.000 9.670) 9.670 29.400 ( -0.000 0.000 -9.206) 9.206 33.437 ( -0.000 0.000 -47.310) 47.310 94.867 ( -0.000 0.000 18.804) 18.804 97.535 ( -0.000 0.000 -20.345) 20.345======================= Grid point 812 (229/399) =======================q-point: ( 0.00 0.00 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 399Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.207 ( 0.000 0.000 24.311) 24.311 2.479 ( 0.000 0.000 31.239) 31.239 3.198 ( 0.000 0.000 12.782) 12.782 3.212 ( 0.000 0.000 30.375) 30.375 4.250 ( 0.000 0.000 -5.189) 5.189 4.262 ( 0.000 0.000 9.647) 9.647 4.453 ( 0.000 0.000 -11.905) 11.905 4.946 ( 0.000 0.000 -8.680) 8.680 5.160 ( 0.000 0.000 2.613) 2.613 6.673 ( 0.000 0.000 -8.874) 8.874 8.780 ( 0.000 0.000 6.087) 6.087 8.978 ( 0.000 0.000 -3.619) 3.619 27.053 ( 0.000 0.000 45.957) 45.957 27.873 ( 0.000 0.000 12.118) 12.118 29.172 ( 0.000 0.000 -11.257) 11.257 32.622 ( 0.000 0.000 -55.187) 55.187 95.881 ( 0.000 0.000 6.124) 6.124 96.817 ( 0.000 0.000 -11.338) 11.338======================= Grid point 813 (230/399) =======================q-point: ( 0.07 0.00 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.187 ( -1.722 2.743 25.019) 25.228 2.457 ( 1.219 3.338 30.026) 30.235 3.268 ( 7.377 1.220 10.953) 13.262 3.355 ( 10.046 -9.846 27.164) 30.590 4.143 ( -3.834 4.577 3.875) 7.118 4.365 ( 5.201 5.915 -5.355) 9.524 4.438 ( 0.609 -1.320 -3.938) 4.198 5.006 ( 6.161 0.132 -8.763) 10.713 5.171 ( -0.607 -4.297 1.595) 4.624 6.639 ( -1.427 5.803 -9.572) 11.284 8.696 ( -3.953 11.643 5.760) 13.578 8.973 ( -7.525 -16.276 -3.079) 18.194 27.026 ( -2.377 0.987 46.559) 46.630 27.896 ( 2.535 -0.069 12.490) 12.745 29.224 ( 5.563 -0.026 -11.435) 12.716 32.607 ( -1.373 0.617 -55.021) 55.042 95.806 ( -6.329 3.809 8.528) 11.282 96.816 ( -1.130 -2.523 -11.585) 11.910======================= Grid point 814 (231/399) =======================q-point: ( 0.14 0.00 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1276Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.125 ( 0.820 8.927 25.179) 26.727 2.520 ( 4.113 -6.557 25.638) 26.780 3.398 ( 6.479 1.754 3.982) 7.805 3.641 ( 13.380 -8.574 22.486) 27.534 4.063 ( 0.839 10.868 2.733) 11.237 4.329 ( -1.804 2.936 -3.033) 4.591 4.560 ( 9.882 -0.047 -0.024) 9.882 5.130 ( 6.085 -0.194 -7.027) 9.298 5.195 ( -0.504 -6.220 -1.276) 6.370 6.550 ( -1.536 11.346 -11.942) 16.544 8.509 ( -8.215 8.748 5.842) 13.347 8.922 ( -11.143 -17.604 -2.853) 21.029 26.965 ( -3.191 1.467 47.719) 47.849 27.963 ( 4.641 -0.191 13.519) 14.295 29.358 ( 8.916 0.196 -11.555) 14.596 32.565 ( -2.536 1.169 -54.528) 54.600 95.632 ( -8.643 5.022 13.188) 16.548 96.807 ( -2.231 -3.405 -11.863) 12.542======================= Grid point 815 (232/399) =======================q-point: ( 0.21 0.00 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.128 ( 6.271 7.568 21.014) 23.199 2.673 ( 5.287 -11.822 20.812) 24.512 3.435 ( -0.492 2.805 -2.266) 3.639 3.908 ( 10.356 4.377 12.078) 16.501 4.014 ( 3.144 5.840 2.691) 7.158 4.323 ( 2.710 0.294 6.794) 7.320 4.783 ( 14.403 -1.070 -0.836) 14.467 5.183 ( -0.712 -3.547 -2.978) 4.686 5.244 ( 0.461 -3.411 -4.382) 5.572 6.446 ( 0.869 15.232 -16.169) 22.230 8.298 ( -10.204 2.886 6.023) 12.195 8.822 ( -12.109 -14.606 -2.824) 19.182 26.899 ( -2.784 1.491 48.614) 48.717 28.061 ( 5.920 -0.343 14.966) 16.098 29.528 ( 9.850 0.516 -11.218) 14.938 32.503 ( -3.268 1.540 -53.765) 53.886 95.449 ( -7.610 4.406 16.797) 18.960 96.784 ( -2.795 -3.192 -11.857) 12.593======================= Grid point 816 (233/399) =======================q-point: ( 0.29 0.00 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1276Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.245 ( 10.503 3.106 14.541) 18.204 2.859 ( 5.481 -12.895 15.570) 20.946 3.370 ( -2.975 4.628 -4.191) 6.916 3.853 ( -2.672 11.186 -3.311) 11.967 4.169 ( 8.576 1.490 13.241) 15.846 4.406 ( 6.135 -0.584 7.576) 9.766 5.060 ( 12.487 -1.288 -1.481) 12.641 5.182 ( -2.072 -1.454 -3.308) 4.165 5.237 ( -1.114 -4.939 -3.347) 6.069 6.384 ( 4.145 15.304 -20.326) 25.779 8.113 ( -9.608 -1.513 6.429) 11.659 8.698 ( -11.221 -10.731 -2.694) 15.758 26.846 ( -2.007 1.278 49.102) 49.159 28.174 ( 6.077 -0.453 16.525) 17.613 29.695 ( 8.949 0.710 -10.601) 13.891 32.430 ( -3.386 1.613 -52.873) 53.006 95.305 ( -5.418 3.256 18.645) 19.688 96.754 ( -2.692 -2.570 -11.688) 12.266======================= Grid point 817 (234/399) =======================q-point: ( 0.36 0.00 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.447 ( 12.102 -1.143 8.177) 14.650 3.026 ( 3.103 -9.217 9.005) 13.254 3.295 ( -0.867 3.717 -2.790) 4.728 3.723 ( -4.544 6.832 -1.669) 8.373 4.248 ( 3.275 4.367 10.472) 11.809 4.521 ( 4.721 0.211 5.989) 7.629 5.092 ( -5.465 -0.954 -0.559) 5.576 5.141 ( -0.957 -1.253 -5.238) 5.470 5.429 ( 12.910 -3.894 -5.949) 14.738 6.372 ( 4.481 11.889 -21.903) 25.321 7.979 ( -7.038 -3.231 7.196) 10.572 8.576 ( -8.844 -6.877 -2.367) 11.451 26.809 ( -1.258 0.934 49.344) 49.368 28.279 ( 4.999 -0.444 17.899) 18.589 29.833 ( 6.716 0.676 -10.024) 12.084 32.363 ( -2.806 1.339 -52.048) 52.141 95.208 ( -3.296 2.109 19.340) 19.732 96.725 ( -2.066 -1.791 -11.501) 11.821======================= Grid point 818 (235/399) =======================q-point: ( 0.43 0.00 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1276Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.678 ( 11.077 -3.987 3.194) 12.199 3.036 ( -4.285 2.155 0.176) 4.800 3.341 ( 5.036 -4.093 2.732) 7.041 3.598 ( -5.137 4.258 0.438) 6.686 4.258 ( 1.262 3.008 9.465) 10.011 4.539 ( -1.337 1.670 4.229) 4.739 5.042 ( -0.743 -1.017 -1.163) 1.714 5.128 ( -1.027 -0.820 -6.812) 6.938 5.648 ( 8.132 -2.354 -8.579) 12.053 6.369 ( 2.291 6.656 -21.475) 22.599 7.904 ( -3.516 -2.410 7.934) 9.006 8.484 ( -5.018 -3.298 -1.952) 6.314 26.788 ( -0.603 0.496 49.463) 49.469 28.353 ( 2.826 -0.278 18.841) 19.054 29.923 ( 3.585 0.411 -9.660) 10.312 32.315 ( -1.594 0.759 -51.474) 51.504 95.154 ( -1.531 1.037 19.521) 19.608 96.706 ( -1.110 -0.921 -11.372) 11.463======================= Grid point 819 (236/399) =======================q-point: (-0.50 0.00 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 650Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.868 ( 0.000 -0.000 0.684) 0.684 2.911 ( -0.000 0.000 -0.742) 0.742 3.468 ( 0.000 -0.000 0.972) 0.972 3.478 ( -0.000 0.000 3.449) 3.449 4.259 ( 0.000 -0.000 9.246) 9.246 4.508 ( 0.000 -0.000 3.649) 3.649 5.046 ( 0.000 -0.000 -1.649) 1.649 5.120 ( 0.000 -0.000 -7.316) 7.316 5.733 ( 0.000 -0.000 -9.894) 9.894 6.365 ( 0.000 -0.000 -20.921) 20.921 7.882 ( 0.000 -0.000 8.213) 8.213 8.449 ( 0.000 -0.000 -1.751) 1.751 26.781 ( 0.000 -0.000 49.501) 49.501 28.380 ( 0.000 -0.000 19.177) 19.177 29.954 ( 0.000 -0.000 -9.541) 9.541 32.298 ( 0.000 -0.000 -51.269) 51.269 95.137 ( 0.000 -0.000 19.545) 19.545 96.699 ( 0.000 -0.000 -11.327) 11.327======================= Grid point 828 (237/399) =======================q-point: ( 0.07 0.07 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 686Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.206 ( 2.335 -0.000 22.993) 23.112 2.459 ( -0.135 0.000 29.870) 29.871 3.412 ( 6.180 -0.000 3.567) 7.135 3.576 ( 16.771 -0.000 22.769) 28.278 4.144 ( 2.595 -0.000 8.853) 9.225 4.353 ( -5.356 0.000 -11.204) 12.419 4.557 ( 10.185 -0.000 -0.241) 10.188 5.134 ( 6.847 -0.000 -7.950) 10.492 5.142 ( -0.883 0.000 1.694) 1.910 6.630 ( -1.599 0.000 -11.581) 11.690 8.678 ( -5.194 0.000 4.246) 6.709 8.690 ( -14.071 0.000 -1.918) 14.201 26.975 ( -3.369 0.000 47.649) 47.768 27.961 ( 4.617 -0.000 13.531) 14.297 29.359 ( 9.009 -0.000 -11.592) 14.681 32.573 ( -2.565 0.000 -54.453) 54.513 95.669 ( -9.469 0.000 12.382) 15.588 96.782 ( -1.754 0.000 -11.018) 11.157======================= Grid point 829 (238/399) =======================q-point: ( 0.14 0.07 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.253 ( 6.198 8.633 20.228) 22.851 2.511 ( 2.587 -9.901 25.371) 27.357 3.460 ( -0.259 0.857 -1.607) 1.839 3.900 ( 17.494 -1.312 17.294) 24.634 4.167 ( -0.930 11.371 -2.091) 11.599 4.288 ( 0.566 -5.609 2.640) 6.225 4.773 ( 13.942 -0.367 -0.595) 13.959 5.134 ( -0.989 -2.332 -0.174) 2.539 5.220 ( 1.663 -0.664 -5.142) 5.445 6.593 ( -0.041 5.517 -15.332) 16.295 8.381 ( -13.200 7.753 1.602) 15.393 8.624 ( -8.552 -12.106 0.542) 14.832 26.914 ( -3.068 0.544 48.630) 48.730 28.058 ( 5.888 -0.127 15.001) 16.116 29.533 ( 9.938 0.197 -11.275) 15.031 32.517 ( -3.378 0.541 -53.680) 53.789 95.493 ( -8.771 1.721 16.183) 18.487 96.751 ( -2.112 -1.284 -10.854) 11.132======================= Grid point 830 (239/399) =======================q-point: ( 0.21 0.07 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.328 ( 9.198 8.538 16.459) 20.697 2.672 ( 5.357 -13.715 18.273) 23.467 3.415 ( -3.008 1.963 -3.151) 4.778 4.008 ( -6.235 9.837 -6.398) 13.288 4.190 ( 13.230 1.707 12.252) 18.112 4.378 ( 4.437 -3.429 7.770) 9.582 5.046 ( 12.970 -0.764 -0.676) 13.010 5.144 ( 1.694 -2.948 -3.369) 4.786 5.198 ( -3.926 -1.252 -2.198) 4.670 6.558 ( 1.713 9.005 -19.582) 21.621 8.123 ( -11.183 2.536 3.783) 12.075 8.548 ( -8.154 -9.869 -0.966) 12.838 26.861 ( -2.319 0.722 49.198) 49.258 28.169 ( 6.076 -0.268 16.583) 17.663 29.703 ( 8.945 0.427 -10.611) 13.885 32.448 ( -3.629 0.881 -52.818) 52.950 95.342 ( -6.476 1.955 18.383) 19.588 96.724 ( -2.000 -1.582 -10.798) 11.095======================= Grid point 831 (240/399) =======================q-point: ( 0.29 0.07 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.466 ( 10.692 3.915 11.233) 15.994 2.871 ( 6.206 -12.106 11.440) 17.775 3.343 ( -2.692 2.758 -3.136) 4.969 3.825 ( -7.156 7.240 -4.213) 11.017 4.310 ( 3.438 4.437 9.311) 10.872 4.505 ( 5.793 -2.325 6.260) 8.840 5.080 ( -4.788 -0.545 -0.897) 4.902 5.121 ( -1.582 -1.625 -3.846) 4.465 5.382 ( 14.041 -2.740 -5.015) 15.160 6.523 ( 1.146 9.226 -22.122) 23.996 7.952 ( -6.977 -0.680 6.059) 9.265 8.476 ( -6.195 -7.067 -1.626) 9.538 26.821 ( -1.588 0.654 49.455) 49.485 28.273 ( 5.068 -0.341 17.961) 18.665 29.841 ( 6.591 0.520 -9.976) 11.968 32.379 ( -3.200 0.911 -52.028) 52.134 95.234 ( -4.178 1.549 19.286) 19.794 96.703 ( -1.395 -1.345 -10.834) 11.006======================= Grid point 832 (241/399) =======================q-point: ( 0.36 0.07 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.645 ( 9.942 -0.713 6.059) 11.665 3.022 ( 2.095 -4.344 3.997) 6.264 3.306 ( 1.002 -0.436 -0.847) 1.382 3.657 ( -6.922 4.140 -1.149) 8.147 4.308 ( 0.187 3.714 8.801) 9.554 4.549 ( -1.751 0.044 4.313) 4.655 5.033 ( 0.023 -0.228 -1.287) 1.307 5.113 ( -0.646 -1.293 -6.016) 6.187 5.613 ( 8.969 -2.506 -7.665) 12.061 6.464 ( -1.594 6.577 -22.127) 23.139 7.879 ( -2.033 -1.196 7.579) 7.938 8.432 ( -2.719 -4.008 -1.691) 5.130 26.794 ( -0.958 0.400 49.536) 49.547 28.349 ( 2.976 -0.276 18.877) 19.112 29.929 ( 3.353 0.404 -9.603) 10.179 32.325 ( -2.119 0.593 -51.472) 51.519 95.168 ( -2.311 0.871 19.531) 19.686 96.694 ( -0.443 -0.794 -11.004) 11.041======================= Grid point 833 (242/399) =======================q-point: ( 0.43 0.07 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.818 ( 6.543 -4.009 1.979) 7.925 2.973 ( -5.187 5.545 -0.738) 7.629 3.401 ( 5.336 -5.410 0.931) 7.656 3.521 ( -5.618 2.417 1.847) 6.389 4.277 ( -1.300 2.237 9.167) 9.525 4.500 ( -2.365 -1.112 3.726) 4.551 5.050 ( 0.976 0.508 -2.259) 2.513 5.119 ( 0.703 -0.257 -6.721) 6.763 5.722 ( 1.331 -1.360 -9.535) 9.723 6.379 ( -4.405 1.770 -20.688) 21.226 7.885 ( 2.185 0.488 7.928) 8.238 8.441 ( 2.013 -1.021 -1.664) 2.804 26.781 ( -0.377 0.000 49.507) 49.508 28.380 ( 0.194 -0.069 19.166) 19.167 29.955 ( -0.286 0.094 -9.533) 9.538 32.298 ( -0.596 -0.017 -51.270) 51.273 95.137 ( -0.761 0.020 19.542) 19.557 96.699 ( 0.677 -0.038 -11.318) 11.338======================= Grid point 834 (243/399) =======================q-point: (-0.50 0.07 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.750 ( -10.559 6.035 1.307) 12.232 2.985 ( 5.122 -4.246 -1.249) 6.769 3.394 ( -5.720 2.584 3.745) 7.309 3.542 ( 5.199 -3.539 0.212) 6.293 4.234 ( -2.404 -0.268 10.060) 10.347 4.501 ( -0.133 -3.718 4.092) 5.530 5.056 ( 0.892 0.902 -2.089) 2.444 5.139 ( 1.633 0.871 -6.419) 6.681 5.673 ( -6.754 1.133 -9.064) 11.360 6.290 ( -6.416 -4.517 -20.015) 21.498 7.943 ( 5.439 3.021 7.628) 9.844 8.520 ( 6.941 1.856 -1.927) 7.439 26.781 ( 0.214 -0.493 49.391) 49.394 28.357 ( -2.656 0.204 18.781) 18.969 29.918 ( -3.843 -0.307 -9.712) 10.449 32.304 ( 1.007 -0.780 -51.476) 51.492 95.140 ( 0.711 -0.988 19.499) 19.537 96.718 ( 1.801 0.848 -11.751) 11.919======================= Grid point 835 (244/399) =======================q-point: (-0.43 0.07 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.496 ( -12.405 5.726 5.138) 14.597 3.086 ( 2.498 -1.683 0.766) 3.108 3.273 ( -4.792 1.549 3.229) 5.982 3.647 ( 3.472 -3.984 -0.694) 5.330 4.197 ( -3.100 -2.698 11.411) 12.128 4.496 ( -4.215 -3.326 5.544) 7.718 5.098 ( 4.270 -0.303 -1.767) 4.631 5.160 ( 1.196 1.630 -4.773) 5.183 5.484 ( -11.209 3.826 -6.585) 13.552 6.210 ( -8.260 -10.782 -20.543) 24.627 8.037 ( 8.055 4.921 7.309) 11.938 8.659 ( 10.808 4.905 -2.480) 12.126 26.796 ( 0.859 -1.023 49.206) 49.224 28.285 ( -4.906 0.427 17.806) 18.475 29.823 ( -6.868 -0.646 -10.086) 12.219 32.343 ( 2.305 -1.516 -52.069) 52.142 95.178 ( 2.312 -2.186 19.374) 19.634 96.751 ( 2.781 1.801 -12.269) 12.709======================= Grid point 836 (245/399) =======================q-point: (-0.36 0.07 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.245 ( -11.415 3.097 11.039) 16.179 3.018 ( -5.635 9.418 12.099) 16.335 3.283 ( 2.201 -7.657 -4.963) 9.386 3.722 ( 0.453 -7.157 -0.943) 7.233 4.146 ( -4.699 -1.823 13.843) 14.732 4.397 ( -7.648 -1.717 7.321) 10.726 5.081 ( -11.496 1.666 -2.456) 11.873 5.187 ( 3.622 -0.466 -2.709) 4.547 5.318 ( 0.188 6.061 -3.782) 7.147 6.155 ( -7.800 -16.847 -20.252) 27.474 8.162 ( 9.607 5.226 7.438) 13.226 8.831 ( 13.169 8.253 -3.185) 15.864 26.826 ( 1.577 -1.557 48.950) 49.001 28.181 ( -6.074 0.514 16.430) 17.524 29.684 ( -8.947 -0.784 -10.604) 13.897 32.405 ( 3.023 -2.056 -52.939) 53.065 95.255 ( 4.129 -3.666 18.922) 19.711 96.792 ( 3.463 2.786 -12.834) 13.582======================= Grid point 837 (246/399) =======================q-point: (-0.29 0.07 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.064 ( -7.494 -1.373 18.213) 19.743 2.823 ( -8.072 9.501 16.899) 21.000 3.377 ( 1.401 -5.949 -3.930) 7.266 3.757 ( -3.732 -12.079 1.024) 12.684 4.039 ( -6.167 4.514 15.891) 17.633 4.293 ( -4.891 -3.495 7.986) 9.995 4.804 ( -14.994 2.149 -1.002) 15.180 5.214 ( -0.473 1.275 -4.419) 4.623 5.315 ( 1.455 5.931 -3.781) 7.183 6.189 ( -2.664 -20.802 -16.590) 26.740 8.305 ( 9.496 3.534 8.145) 13.000 9.008 ( 13.802 11.741 -4.007) 18.558 26.874 ( 2.307 -2.079 48.551) 48.650 28.067 ( -5.974 0.461 14.896) 16.056 29.519 ( -9.690 -0.654 -11.144) 14.782 32.476 ( 3.055 -2.284 -53.896) 54.031 95.378 ( 5.934 -5.525 17.644) 19.418 96.834 ( 3.655 3.797 -13.387) 14.387======================= Grid point 838 (247/399) =======================q-point: (-0.21 0.07 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.011 ( -1.080 -6.379 24.575) 25.412 2.609 ( -9.340 6.016 20.982) 23.742 3.365 ( -6.318 -2.970 3.820) 7.958 3.756 ( -3.992 1.066 13.454) 14.074 3.909 ( -3.489 -4.106 6.634) 8.546 4.277 ( -0.591 -4.568 4.690) 6.574 4.557 ( -11.115 -0.115 -0.209) 11.118 5.137 ( -6.869 0.719 -7.561) 10.241 5.293 ( 1.462 7.011 -3.152) 7.825 6.328 ( 1.379 -19.817 -12.067) 23.243 8.449 ( 7.570 -0.061 8.980) 11.745 9.152 ( 12.081 14.986 -4.878) 19.858 26.936 ( 2.726 -2.523 47.861) 48.005 27.967 ( -4.705 0.326 13.482) 14.283 29.354 ( -8.664 -0.296 -11.470) 14.378 32.542 ( 2.446 -2.173 -54.717) 54.814 95.541 ( 6.828 -7.585 14.964) 18.113 96.866 ( 3.129 4.790 -13.783) 14.923======================= Grid point 839 (248/399) =======================q-point: (-0.14 0.07 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.107 ( 5.310 -8.159 27.319) 29.001 2.417 ( -9.400 -0.839 24.880) 26.610 3.245 ( -7.137 -2.214 10.847) 13.172 3.568 ( -5.386 18.841 26.441) 32.910 4.006 ( 3.296 -14.346 -1.783) 14.827 4.293 ( -2.619 -3.870 -4.089) 6.209 4.423 ( -4.013 -2.938 3.829) 6.277 5.004 ( -6.358 -0.166 -8.887) 10.929 5.264 ( 0.958 7.895 -1.679) 8.129 6.484 ( 1.527 -16.085 -9.720) 18.856 8.573 ( 4.165 -4.746 9.120) 11.093 9.219 ( 7.325 17.350 -5.404) 19.593 27.000 ( 2.108 -2.642 46.885) 47.007 27.898 ( -2.570 0.190 12.476) 12.739 29.225 ( -5.387 0.087 -11.420) 12.627 32.590 ( 1.352 -1.782 -55.213) 55.258 95.713 ( 5.168 -8.894 11.031) 15.083 96.875 ( 1.748 5.453 -13.687) 14.836======================= Grid point 840 (249/399) =======================q-point: (-0.07 0.07 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 686Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.222 ( -0.000 2.054 24.098) 24.185 2.352 ( 0.000 -14.755 30.536) 33.914 3.188 ( 0.000 -1.525 12.843) 12.933 3.372 ( -0.000 19.510 29.640) 35.484 4.158 ( 0.000 -13.530 0.590) 13.543 4.248 ( 0.000 -0.260 -5.084) 5.090 4.429 ( 0.000 -3.565 -0.463) 3.595 4.944 ( 0.000 -0.313 -8.790) 8.795 5.219 ( -0.000 7.281 0.007) 7.281 6.594 ( 0.000 -11.230 -9.043) 14.419 8.659 ( 0.000 -9.062 7.990) 12.082 9.163 ( -0.000 18.024 -4.876) 18.672 27.038 ( 0.000 -2.086 46.203) 46.250 27.874 ( -0.000 0.109 12.112) 12.112 29.173 ( -0.000 0.185 -11.271) 11.273 32.613 ( 0.000 -1.231 -55.302) 55.316 95.823 ( 0.000 -7.744 7.918) 11.076 96.854 ( -0.000 4.889 -12.765) 13.669======================= Grid point 843 (250/399) =======================q-point: ( 0.14 0.14 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 687Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.448 ( 10.552 -0.000 12.918) 16.680 2.515 ( 3.401 -0.000 23.433) 23.679 3.428 ( -2.985 0.000 -2.784) 4.082 4.083 ( -8.242 0.000 -7.463) 11.118 4.213 ( 15.387 -0.000 10.312) 18.522 4.338 ( 3.893 -0.000 8.851) 9.669 5.040 ( 12.934 -0.000 -0.292) 12.938 5.122 ( 2.853 -0.000 -2.639) 3.886 5.190 ( -4.420 0.000 -2.124) 4.904 6.622 ( 0.881 -0.000 -19.068) 19.089 8.152 ( -13.305 0.000 1.453) 13.384 8.467 ( -5.487 0.000 0.809) 5.546 26.866 ( -2.434 0.000 49.231) 49.291 28.167 ( 6.076 -0.000 16.602) 17.679 29.706 ( 8.942 -0.000 -10.618) 13.882 32.454 ( -3.713 0.000 -52.797) 52.927 95.356 ( -6.895 0.000 18.272) 19.530 96.713 ( -1.714 0.000 -10.458) 10.598======================= Grid point 844 (251/399) =======================q-point: ( 0.21 0.14 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.550 ( 7.754 7.541 14.683) 18.237 2.708 ( 9.393 -10.514 10.512) 17.586 3.369 ( -2.966 0.912 -2.555) 4.019 3.903 ( -9.634 3.252 -6.450) 12.041 4.365 ( 1.815 2.991 8.310) 9.016 4.465 ( 8.671 -2.660 6.634) 11.237 5.080 ( -3.049 0.671 -1.629) 3.521 5.098 ( -2.870 -1.559 -2.151) 3.911 5.355 ( 14.493 -0.964 -4.285) 15.144 6.613 ( -0.794 3.452 -21.806) 22.092 7.954 ( -7.852 0.474 4.461) 9.043 8.398 ( -3.688 -3.379 -0.568) 5.034 26.827 ( -1.774 0.235 49.518) 49.550 28.270 ( 5.105 -0.128 17.990) 18.701 29.847 ( 6.520 0.196 -9.950) 11.898 32.388 ( -3.416 0.322 -52.014) 52.128 95.249 ( -4.710 0.572 19.243) 19.819 96.690 ( -0.979 -0.503 -10.442) 10.500======================= Grid point 845 (252/399) =======================q-point: ( 0.29 0.14 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1276Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.655 ( 7.240 1.825 9.660) 12.209 2.939 ( 8.844 -6.217 4.368) 11.660 3.316 ( -1.692 1.154 -1.688) 2.654 3.706 ( -9.515 2.686 -3.833) 10.604 4.351 ( -0.885 2.271 8.354) 8.702 4.546 ( -1.097 -0.374 4.393) 4.543 5.037 ( 0.779 0.829 -1.705) 2.050 5.092 ( -0.354 -1.660 -4.983) 5.264 5.583 ( 9.327 -1.569 -6.708) 11.596 6.540 ( -4.394 4.017 -22.136) 22.922 7.870 ( -1.383 -0.138 6.744) 6.886 8.381 ( -0.549 -2.981 -1.220) 3.268 26.799 ( -1.205 0.223 49.592) 49.607 28.346 ( 3.078 -0.174 18.891) 19.141 29.933 ( 3.192 0.253 -9.559) 10.081 32.331 ( -2.481 0.323 -51.470) 51.531 95.177 ( -2.875 0.499 19.532) 19.749 96.685 ( 0.047 -0.464 -10.734) 10.744======================= Grid point 846 (253/399) =======================q-point: ( 0.36 0.14 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.773 ( 5.157 -2.370 4.458) 7.217 3.042 ( -0.377 4.057 -0.224) 4.081 3.333 ( 3.653 -3.955 -0.338) 5.395 3.542 ( -6.785 0.699 -0.764) 6.864 4.310 ( -2.006 2.076 8.956) 9.410 4.484 ( -4.345 -0.889 4.051) 6.007 5.059 ( 1.030 0.728 -3.758) 3.964 5.114 ( 2.003 -0.396 -5.294) 5.674 5.700 ( 2.182 -1.590 -8.668) 9.079 6.407 ( -7.719 2.031 -20.180) 21.701 7.894 ( 3.819 0.709 7.254) 8.229 8.424 ( 3.760 -1.356 -1.447) 4.251 26.781 ( -0.680 0.000 49.518) 49.523 28.379 ( 0.349 -0.086 19.141) 19.145 29.956 ( -0.515 0.117 -9.517) 9.532 32.297 ( -1.075 -0.021 -51.272) 51.283 95.137 ( -1.372 0.025 19.536) 19.585 96.698 ( 1.221 -0.048 -11.297) 11.363======================= Grid point 847 (254/399) =======================q-point: (-0.57 0.14 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1276Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.820 ( -4.941 2.223 1.102) 5.529 2.953 ( -0.457 1.451 -1.203) 1.939 3.392 ( -4.066 -3.135 2.011) 5.514 3.511 ( 5.194 -0.559 -0.774) 5.281 4.248 ( -3.226 1.858 10.195) 10.853 4.441 ( -2.500 -4.555 4.156) 6.653 5.065 ( 0.380 0.275 -3.930) 3.958 5.153 ( 2.474 1.183 -4.973) 5.679 5.679 ( -5.245 -0.208 -8.954) 10.379 6.246 ( -9.850 -1.905 -18.220) 20.799 7.984 ( 7.261 2.813 6.922) 10.418 8.536 ( 8.339 0.552 -1.714) 8.531 26.775 ( -0.133 -0.394 49.333) 49.335 28.359 ( -2.498 0.111 18.708) 18.874 29.914 ( -4.076 -0.171 -9.750) 10.569 32.294 ( 0.475 -0.641 -51.479) 51.485 95.128 ( 0.007 -0.759 19.471) 19.486 96.729 ( 2.384 0.630 -12.069) 12.318======================= Grid point 848 (255/399) =======================q-point: (-0.50 0.14 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.598 ( -11.620 8.637 2.703) 14.728 3.016 ( 2.512 -6.476 -2.704) 7.454 3.303 ( -5.749 1.165 4.795) 7.577 3.613 ( 4.142 -0.811 -1.352) 4.432 4.178 ( -3.619 -0.018 11.714) 12.260 4.428 ( -4.165 -6.326 4.973) 9.061 5.085 ( 1.895 -1.279 -3.761) 4.402 5.185 ( 1.915 1.918 -3.212) 4.203 5.529 ( -9.459 2.489 -6.886) 11.962 6.085 ( -11.479 -7.091 -18.061) 22.544 8.109 ( 9.471 5.156 6.750) 12.722 8.711 ( 12.021 2.615 -2.166) 12.491 26.782 ( 0.470 -0.912 49.071) 49.082 28.290 ( -4.806 0.326 17.696) 18.340 29.816 ( -7.018 -0.488 -10.149) 12.349 32.322 ( 1.796 -1.393 -52.085) 52.135 95.149 ( 1.434 -1.848 19.377) 19.517 96.774 ( 3.388 1.475 -12.975) 13.491======================= Grid point 849 (256/399) =======================q-point: (-0.43 0.14 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1276Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.327 ( -11.379 8.312 7.123) 15.790 3.087 ( -1.574 -2.299 2.842) 3.980 3.193 ( -3.309 -2.065 1.052) 4.040 3.658 ( -0.512 -2.207 -0.419) 2.304 4.122 ( -3.103 -1.560 13.001) 13.457 4.358 ( -7.398 -4.005 7.178) 11.059 5.095 ( -8.420 -0.391 -4.682) 9.642 5.180 ( 2.127 0.276 -1.094) 2.408 5.394 ( -0.086 4.538 -3.155) 5.528 5.940 ( -11.810 -13.450 -18.757) 25.926 8.248 ( 10.443 6.815 7.243) 14.421 8.923 ( 14.193 4.940 -2.818) 15.290 26.805 ( 1.127 -1.521 48.767) 48.804 28.188 ( -6.061 0.459 16.310) 17.406 29.674 ( -8.940 -0.675 -10.629) 13.905 32.375 ( 2.603 -2.102 -52.998) 53.103 95.206 ( 2.947 -3.314 19.117) 19.625 96.828 ( 4.087 2.410 -13.949) 14.733======================= Grid point 850 (257/399) =======================q-point: (-0.36 0.14 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.094 ( -8.383 5.701 13.453) 16.845 2.932 ( -10.064 6.099 13.528) 17.930 3.267 ( 2.380 -9.550 -5.801) 11.424 3.624 ( -6.155 -6.755 2.177) 9.394 4.088 ( -1.184 1.498 14.630) 14.754 4.244 ( -6.800 -2.834 8.499) 11.247 4.842 ( -14.862 3.188 -1.271) 15.253 5.223 ( 0.373 0.056 -3.790) 3.808 5.391 ( 0.810 4.791 -3.389) 5.924 5.895 ( -5.063 -20.672 -15.808) 26.511 8.384 ( 9.824 7.253 8.454) 14.853 9.142 ( 14.535 7.489 -3.773) 16.781 26.844 ( 1.768 -2.213 48.415) 48.498 28.074 ( -6.032 0.468 14.798) 15.987 29.510 ( -9.491 -0.612 -11.094) 14.613 32.441 ( 2.765 -2.610 -54.029) 54.162 95.302 ( 4.345 -5.277 18.366) 19.597 96.885 ( 4.302 3.392 -14.930) 15.903======================= Grid point 851 (258/399) =======================q-point: (-0.29 0.14 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1276Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.969 ( -2.587 0.637 20.374) 20.547 2.687 ( -12.335 5.189 17.858) 22.316 3.312 ( -5.122 -4.958 2.322) 7.497 3.604 ( -1.524 -14.474 -1.231) 14.606 4.016 ( -2.310 10.933 19.104) 22.132 4.202 ( -1.215 -6.027 6.618) 9.033 4.568 ( -12.780 2.085 -0.185) 12.950 5.149 ( -7.537 1.077 -7.543) 10.718 5.373 ( 1.174 3.940 -3.973) 5.718 6.027 ( 1.505 -22.371 -10.568) 24.788 8.495 ( 7.581 6.183 9.966) 13.965 9.328 ( 12.462 10.169 -5.062) 16.862 26.898 ( 2.137 -2.954 47.937) 48.075 27.972 ( -4.787 0.380 13.423) 14.256 29.350 ( -8.322 -0.278 -11.393) 14.112 32.506 ( 2.291 -2.815 -54.936) 55.056 95.433 ( 4.985 -7.711 16.703) 19.061 96.932 ( 3.783 4.415 -15.798) 16.834======================= Grid point 852 (259/399) =======================q-point: (-0.21 0.14 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.001 ( 4.090 -5.599 25.344) 26.275 2.435 ( -11.772 3.013 21.697) 24.868 3.205 ( -7.253 -3.499 10.882) 13.538 3.737 ( 2.904 -11.635 -2.101) 12.175 3.881 ( -1.824 13.236 20.880) 24.789 4.241 ( 0.231 -4.382 2.100) 4.865 4.378 ( -7.554 -2.572 2.208) 8.280 5.002 ( -6.928 -0.143 -9.186) 11.506 5.363 ( 1.108 5.703 -3.204) 6.634 6.215 ( 1.775 -21.529 -8.658) 23.272 8.567 ( 4.107 3.556 11.029) 12.294 9.432 ( 7.425 12.901 -6.313) 16.168 26.957 ( 1.685 -3.531 47.283) 47.444 27.901 ( -2.625 0.267 12.447) 12.724 29.227 ( -5.101 0.159 -11.411) 12.501 32.559 ( 1.299 -2.696 -55.497) 55.578 95.577 ( 3.778 -10.029 14.074) 17.690 96.954 ( 2.268 5.426 -16.207) 17.241======================= Grid point 853 (260/399) =======================q-point: (-0.14 0.14 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 687Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.149 ( 0.000 -12.848 27.964) 30.774 2.264 ( -0.000 3.922 23.502) 23.827 3.156 ( 0.000 -2.978 13.015) 13.352 3.676 ( -0.000 22.208 26.465) 34.548 3.931 ( 0.000 -17.493 -4.453) 18.051 4.243 ( 0.000 -0.475 -4.783) 4.807 4.357 ( 0.000 -6.512 7.431) 9.881 4.938 ( 0.000 -0.562 -9.100) 9.117 5.328 ( -0.000 7.427 -2.609) 7.872 6.375 ( 0.000 -19.450 -8.634) 21.281 8.593 ( 0.000 -0.313 10.883) 10.888 9.402 ( -0.000 15.481 -6.652) 16.849 26.998 ( 0.000 -3.497 46.742) 46.872 27.876 ( -0.000 0.197 12.095) 12.097 29.177 ( -0.000 0.333 -11.313) 11.318 32.588 ( 0.000 -2.318 -55.582) 55.630 95.689 ( 0.000 -10.845 11.537) 15.834 96.934 ( -0.000 6.061 -15.531) 16.672======================= Grid point 858 (261/399) =======================q-point: ( 0.21 0.21 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 686Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.675 ( 4.631 -0.000 12.410) 13.246 2.887 ( 12.456 -0.000 2.647) 12.734 3.326 ( -2.095 0.000 -1.370) 2.504 3.726 ( -10.761 0.000 -5.184) 11.945 4.367 ( -1.474 0.000 8.215) 8.346 4.543 ( -0.492 0.000 4.440) 4.467 5.048 ( 1.334 -0.000 -1.749) 2.200 5.076 ( -0.494 0.000 -4.686) 4.712 5.572 ( 9.412 -0.000 -6.287) 11.319 6.569 ( -5.417 0.000 -22.034) 22.690 7.870 ( -1.310 0.000 6.259) 6.395 8.358 ( 0.426 -0.000 -0.950) 1.041 26.800 ( -1.294 0.000 49.612) 49.629 28.345 ( 3.114 -0.000 18.895) 19.149 29.935 ( 3.135 -0.000 -9.543) 10.044 32.334 ( -2.609 0.000 -51.469) 51.536 95.181 ( -3.082 0.000 19.531) 19.773 96.681 ( 0.228 -0.000 -10.635) 10.637======================= Grid point 859 (262/399) =======================q-point: ( 0.29 0.21 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.751 ( 3.686 -0.732 6.409) 7.429 3.078 ( 6.478 1.192 -0.170) 6.589 3.299 ( -0.549 -1.086 -0.182) 1.231 3.545 ( -7.759 0.003 -3.760) 8.622 4.328 ( -2.485 0.544 8.715) 9.078 4.478 ( -5.264 -0.078 4.509) 6.932 5.067 ( -0.005 0.373 -5.256) 5.270 5.109 ( 3.793 -0.220 -3.891) 5.439 5.684 ( 2.544 -0.681 -7.913) 8.339 6.428 ( -9.446 0.850 -19.781) 21.937 7.902 ( 4.621 0.357 6.676) 8.127 8.409 ( 4.840 -0.638 -1.248) 5.039 26.781 ( -0.849 0.000 49.528) 49.535 28.378 ( 0.435 -0.038 19.121) 19.126 29.957 ( -0.642 0.052 -9.504) 9.526 32.297 ( -1.340 -0.009 -51.273) 51.291 95.138 ( -1.713 0.011 19.532) 19.607 96.697 ( 1.524 -0.021 -11.281) 11.383======================= Grid point 860 (263/399) =======================q-point: (-0.64 0.21 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.811 ( 1.222 -1.773 1.954) 2.908 3.025 ( -6.552 6.803 -1.148) 9.515 3.323 ( -2.196 -5.783 1.020) 6.270 3.516 ( 5.066 0.713 -3.222) 6.046 4.271 ( -3.360 1.018 9.714) 10.329 4.388 ( -5.215 -2.568 4.913) 7.611 5.066 ( -0.047 -0.043 -5.129) 5.129 5.169 ( 3.018 0.904 -4.086) 5.160 5.672 ( -4.214 -0.568 -8.414) 9.428 6.231 ( -11.920 -0.428 -16.871) 20.662 8.017 ( 8.535 1.740 6.229) 10.709 8.538 ( 9.181 -0.064 -1.471) 9.298 26.770 ( -0.372 -0.218 49.298) 49.300 28.360 ( -2.386 0.041 18.647) 18.799 29.913 ( -4.237 -0.066 -9.769) 10.649 32.287 ( 0.105 -0.362 -51.481) 51.482 95.119 ( -0.463 -0.409 19.447) 19.457 96.735 ( 2.768 0.332 -12.276) 12.589======================= Grid point 861 (264/399) =======================q-point: (-0.57 0.21 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.722 ( -9.328 8.462 1.316) 12.663 2.935 ( -0.399 -4.558 -2.453) 5.191 3.289 ( -4.464 -2.897 2.985) 6.102 3.623 ( 5.619 1.915 -3.060) 6.678 4.190 ( -4.529 1.351 11.208) 12.164 4.330 ( -5.251 -7.183 4.929) 10.171 5.068 ( -0.030 -1.048 -4.834) 4.947 5.210 ( 2.399 1.520 -2.256) 3.627 5.552 ( -8.223 0.859 -6.935) 10.791 6.014 ( -13.472 -3.226 -15.384) 20.702 8.174 ( 10.793 3.957 5.999) 12.966 8.734 ( 12.611 0.900 -1.699) 12.757 26.771 ( 0.166 -0.626 48.964) 48.968 28.294 ( -4.721 0.193 17.594) 18.218 29.810 ( -7.139 -0.286 -10.198) 12.451 32.306 ( 1.381 -0.978 -52.096) 52.123 95.128 ( 0.792 -1.219 19.359) 19.413 96.791 ( 3.809 0.947 -13.501) 14.060======================= Grid point 862 (265/399) =======================q-point: (-0.50 0.21 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.465 ( -10.459 11.046 3.792) 15.677 2.989 ( 0.330 -8.446 -3.107) 9.005 3.203 ( -5.923 0.558 4.887) 7.700 3.655 ( -1.107 1.612 -1.370) 2.388 4.106 ( -3.987 -0.737 11.035) 11.757 4.284 ( -5.611 -6.738 7.012) 11.227 5.063 ( -4.643 -3.555 -6.752) 8.933 5.207 ( -0.857 3.176 0.536) 3.333 5.438 ( -0.838 1.543 -2.557) 3.102 5.795 ( -14.597 -7.232 -15.766) 22.670 8.342 ( 11.564 6.313 6.499) 14.691 8.971 ( 14.524 2.071 -2.032) 14.811 26.786 ( 0.745 -1.196 48.589) 48.609 28.193 ( -6.042 0.330 16.189) 17.282 29.666 ( -8.932 -0.466 -10.665) 13.919 32.348 ( 2.212 -1.717 -53.040) 53.114 95.166 ( 2.051 -2.448 19.216) 19.480 96.857 ( 4.496 1.707 -14.838) 15.598======================= Grid point 863 (266/399) =======================q-point: (-0.43 0.21 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.214 ( -8.338 11.052 8.314) 16.149 2.980 ( -8.750 -0.355 9.075) 12.611 3.141 ( 0.510 -6.710 -4.357) 8.017 3.562 ( -8.878 -2.603 2.755) 9.653 4.072 ( -1.142 -3.011 8.348) 8.948 4.221 ( -4.247 -1.200 10.654) 11.532 4.881 ( -13.662 1.662 -3.288) 14.150 5.218 ( 1.680 -0.388 -1.718) 2.434 5.444 ( -1.616 2.826 -3.118) 4.508 5.642 ( -6.919 -14.837 -12.639) 20.682 8.494 ( 10.650 8.160 7.777) 15.508 9.217 ( 14.575 3.445 -2.711) 15.220 26.815 ( 1.283 -1.919 48.226) 48.281 28.080 ( -6.079 0.385 14.689) 15.902 29.503 ( -9.297 -0.457 -11.081) 14.472 32.406 ( 2.454 -2.412 -54.132) 54.242 95.236 ( 3.121 -4.177 18.830) 19.539 96.926 ( 4.655 2.504 -16.184) 17.026======================= Grid point 864 (267/399) =======================q-point: (-0.36 0.21 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.032 ( -3.833 8.263 14.191) 16.863 2.753 ( -12.994 4.273 15.761) 20.869 3.221 ( -1.565 -8.255 -2.038) 8.645 3.430 ( -7.194 -9.975 2.235) 12.500 4.099 ( 0.987 -4.236 6.227) 7.596 4.156 ( -1.479 4.358 13.668) 14.422 4.615 ( -12.907 4.140 0.658) 13.571 5.166 ( -8.163 1.283 -7.198) 10.959 5.386 ( -0.917 -2.635 -5.664) 6.313 5.747 ( 2.979 -16.274 -5.220) 17.348 8.604 ( 8.067 9.001 9.483) 15.363 9.433 ( 12.300 5.100 -3.918) 13.880 26.857 ( 1.579 -2.770 47.875) 47.981 27.977 ( -4.864 0.355 13.350) 14.213 29.347 ( -7.974 -0.191 -11.355) 13.876 32.466 ( 2.092 -2.917 -55.124) 55.241 95.334 ( 3.548 -6.409 17.934) 19.372 96.986 ( 4.062 3.292 -17.405) 18.174======================= Grid point 865 (268/399) =======================q-point: (-0.29 0.21 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.976 ( 1.753 2.391 19.520) 19.744 2.491 ( -11.476 4.839 20.085) 23.633 3.148 ( -7.412 -4.694 10.856) 13.958 3.507 ( 1.876 -16.951 -7.506) 18.633 4.098 ( 1.538 12.276 17.733) 21.623 4.165 ( 1.758 -5.833 5.241) 8.036 4.376 ( -10.255 2.877 2.180) 10.872 5.000 ( -7.755 -0.139 -9.588) 12.333 5.406 ( 0.896 -0.118 -3.770) 3.877 5.922 ( 2.338 -19.105 -5.064) 19.902 8.655 ( 4.283 8.510 11.001) 14.552 9.571 ( 7.277 7.231 -5.434) 11.609 26.906 ( 1.251 -3.587 47.504) 47.655 27.905 ( -2.682 0.287 12.408) 12.698 29.229 ( -4.789 0.213 -11.423) 12.388 32.518 ( 1.213 -3.134 -55.767) 55.869 95.445 ( 2.654 -8.788 16.427) 18.818 97.020 ( 2.469 4.106 -18.187) 18.807======================= Grid point 866 (269/399) =======================q-point: (-0.21 0.21 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 686Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.023 ( 0.000 -4.606 22.885) 23.344 2.329 ( -0.000 5.448 22.650) 23.296 3.105 ( 0.000 -4.289 13.270) 13.945 3.655 ( 0.000 -18.211 -8.314) 20.019 4.001 ( -0.000 20.019 24.587) 31.707 4.236 ( 0.000 -0.605 -4.336) 4.378 4.259 ( 0.000 -6.853 8.397) 10.838 4.929 ( 0.000 -0.696 -9.554) 9.579 5.405 ( -0.000 3.077 -3.333) 4.536 6.084 ( 0.000 -21.083 -6.401) 22.033 8.641 ( -0.000 6.616 11.673) 13.418 9.580 ( -0.000 9.955 -6.500) 11.889 26.945 ( 0.000 -3.962 47.205) 47.371 27.879 ( -0.000 0.245 12.071) 12.073 29.182 ( -0.000 0.416 -11.373) 11.380 32.550 ( 0.000 -3.043 -55.896) 55.979 95.539 ( 0.000 -10.372 14.786) 18.062 97.012 ( -0.000 4.954 -17.921) 18.593======================= Grid point 873 (270/399) =======================q-point: ( 0.29 0.29 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 687Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.796 ( 1.794 -0.000 2.349) 2.956 3.087 ( -7.377 0.000 -1.134) 7.463 3.269 ( -1.579 0.000 0.997) 1.867 3.522 ( 5.537 -0.000 -4.716) 7.273 4.276 ( -3.437 0.000 9.122) 9.748 4.372 ( -6.359 0.000 5.737) 8.564 5.065 ( -0.167 0.000 -5.439) 5.442 5.175 ( 3.169 -0.000 -3.914) 5.036 5.668 ( -3.871 0.000 -8.096) 8.974 6.229 ( -12.576 0.000 -16.395) 20.663 8.029 ( 8.989 -0.000 5.941) 10.775 8.537 ( 9.462 -0.000 -1.363) 9.560 26.769 ( -0.457 0.000 49.286) 49.288 28.360 ( -2.346 0.000 18.623) 18.770 29.912 ( -4.295 0.000 -9.775) 10.677 32.285 ( -0.028 0.000 -51.481) 51.481 95.116 ( -0.627 0.000 19.438) 19.448 96.738 ( 2.901 -0.000 -12.348) 12.684======================= Grid point 874 (271/399) =======================q-point: (-0.64 0.29 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.806 ( -2.035 2.716 0.416) 3.419 2.903 ( -8.585 -0.041 -1.468) 8.710 3.244 ( -2.716 -2.550 1.684) 4.089 3.651 ( 7.110 1.512 -5.216) 8.946 4.203 ( -4.680 0.256 9.827) 10.887 4.253 ( -7.494 -3.019 6.454) 10.340 5.058 ( -1.004 -0.361 -5.213) 5.321 5.225 ( 2.716 0.589 -1.850) 3.339 5.557 ( -7.730 0.090 -6.804) 10.298 5.988 ( -14.262 -0.803 -13.777) 19.845 8.213 ( 11.604 1.506 5.479) 12.921 8.740 ( 12.799 0.134 -1.358) 12.872 26.765 ( -0.000 -0.223 48.905) 48.906 28.296 ( -4.671 0.063 17.533) 18.145 29.808 ( -7.205 -0.092 -10.224) 12.509 32.296 ( 1.149 -0.352 -52.101) 52.115 95.116 ( 0.457 -0.424 19.342) 19.352 96.800 ( 4.021 0.324 -13.779) 14.358======================= Grid point 875 (272/399) =======================q-point: (-0.57 0.29 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1276Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.618 ( -9.183 10.307 1.315) 13.866 2.880 ( -1.048 -7.140 -2.075) 7.509 3.195 ( -4.399 -1.287 3.018) 5.487 3.693 ( -1.943 3.327 -3.416) 5.149 4.101 ( -5.490 0.062 9.178) 10.695 4.182 ( -4.013 -7.089 7.237) 10.896 5.018 ( -5.410 -2.483 -7.166) 9.316 5.254 ( 0.866 3.133 1.148) 3.447 5.439 ( -3.227 -0.989 -2.473) 4.184 5.733 ( -15.072 -2.205 -12.720) 19.845 8.415 ( 12.539 3.883 5.738) 14.326 8.986 ( 14.455 0.422 -1.259) 14.516 26.772 ( 0.491 -0.656 48.459) 48.466 28.197 ( -6.023 0.169 16.098) 17.189 29.661 ( -8.927 -0.230 -10.697) 13.934 32.329 ( 1.934 -0.965 -53.063) 53.108 95.140 ( 1.504 -1.289 19.250) 19.352 96.875 ( 4.713 0.871 -15.400) 16.128======================= Grid point 876 (273/399) =======================q-point: (-0.50 0.29 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.384 ( -7.500 12.693 3.932) 15.259 2.910 ( -2.888 -7.845 1.491) 8.492 3.106 ( -4.859 0.048 2.084) 5.287 3.542 ( -12.268 -0.668 2.396) 12.518 4.031 ( -3.062 -2.304 5.170) 6.436 4.191 ( 0.092 -3.266 9.009) 9.583 4.872 ( -12.292 -2.744 -7.804) 14.816 5.233 ( 0.654 2.917 1.432) 3.315 5.470 ( -3.777 0.069 -2.442) 4.499 5.489 ( -6.842 -6.870 -7.825) 12.460 8.599 ( 11.604 6.554 6.768) 14.947 9.244 ( 14.198 0.695 -1.392) 14.283 26.792 ( 0.928 -1.290 48.040) 48.066 28.084 ( -6.109 0.248 14.594) 15.823 29.498 ( -9.148 -0.267 -11.091) 14.380 32.376 ( 2.191 -1.701 -54.199) 54.270 95.188 ( 2.325 -2.634 19.069) 19.390 96.954 ( 4.800 1.490 -17.036) 17.762======================= Grid point 877 (274/399) =======================q-point: (-0.43 0.29 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1276Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.185 ( -4.198 13.092 7.970) 15.891 2.799 ( -11.096 1.832 13.832) 17.827 3.100 ( 0.083 -7.944 -5.009) 9.391 3.322 ( -12.730 -6.083 6.069) 15.359 4.025 ( -0.404 -4.836 2.679) 5.543 4.207 ( 1.058 2.057 9.667) 9.940 4.653 ( -12.117 0.180 -2.353) 12.345 5.176 ( -9.600 -0.540 -8.345) 12.731 5.322 ( -1.900 -3.418 -3.914) 5.533 5.596 ( 4.365 -6.651 2.444) 8.322 8.731 ( 8.794 8.808 8.322) 14.973 9.475 ( 11.769 1.149 -2.121) 12.014 26.823 ( 1.147 -2.106 47.714) 47.774 27.981 ( -4.921 0.269 13.278) 14.163 29.345 ( -7.687 -0.099 -11.352) 13.710 32.428 ( 1.894 -2.404 -55.255) 55.339 95.258 ( 2.586 -4.457 18.641) 19.340 97.023 ( 4.100 2.068 -18.497) 19.059======================= Grid point 878 (275/399) =======================q-point: (-0.36 0.29 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.066 ( 0.098 10.115 12.266) 15.899 2.565 ( -10.315 5.528 18.980) 22.298 3.076 ( -7.355 -5.635 10.215) 13.791 3.288 ( 0.240 -14.464 -6.885) 16.021 4.075 ( 1.585 -5.677 1.943) 6.206 4.206 ( 1.403 3.455 6.846) 7.796 4.447 ( -8.708 5.063 6.834) 12.172 4.996 ( -8.479 -0.586 -10.311) 13.362 5.360 ( 0.901 -5.060 -3.115) 6.010 5.719 ( 2.758 -9.984 1.410) 10.454 8.788 ( 4.639 10.022 9.902) 14.833 9.635 ( 6.905 2.223 -3.438) 8.028 26.860 ( 0.897 -2.981 47.492) 47.594 27.909 ( -2.728 0.252 12.368) 12.667 29.232 ( -4.519 0.219 -11.454) 12.315 32.475 ( 1.112 -2.932 -55.970) 56.057 95.338 ( 1.882 -6.533 17.877) 19.126 97.067 ( 2.461 2.631 -19.490) 19.820======================= Grid point 879 (276/399) =======================q-point: (-0.29 0.29 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 687Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.027 ( -0.000 5.012 15.748) 16.526 2.413 ( -0.000 6.512 21.724) 22.679 3.038 ( 0.000 -5.371 13.548) 14.574 3.409 ( 0.000 -16.747 -9.151) 19.084 4.133 ( 0.000 -4.520 4.674) 6.502 4.227 ( 0.000 -0.619 -3.822) 3.872 4.280 ( -0.000 12.608 20.420) 23.998 4.919 ( 0.000 -0.691 -10.065) 10.088 5.401 ( 0.000 -3.624 -3.613) 5.117 5.829 ( 0.000 -14.411 -1.202) 14.461 8.759 ( -0.000 9.901 10.937) 14.753 9.678 ( -0.000 4.288 -4.796) 6.433 26.892 ( 0.000 -3.598 47.386) 47.523 27.882 ( -0.000 0.245 12.044) 12.046 29.188 ( -0.000 0.415 -11.439) 11.447 32.506 ( 0.000 -3.184 -56.155) 56.245 95.408 ( 0.000 -8.253 16.966) 18.867 97.069 ( -0.000 3.327 -19.527) 19.808======================= Grid point 888 (277/399) =======================q-point: (-0.64 0.36 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 686Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.716 ( -9.494 0.000 -0.893) 9.536 2.808 ( -0.930 0.000 0.085) 0.934 3.183 ( -3.408 0.000 1.991) 3.948 3.723 ( -2.503 0.000 -5.079) 5.662 4.111 ( -5.547 0.000 8.197) 9.898 4.116 ( -3.962 0.000 8.232) 9.136 5.000 ( -6.105 0.000 -7.138) 9.392 5.279 ( 2.916 -0.000 1.453) 3.258 5.428 ( -5.482 0.000 -2.574) 6.057 5.720 ( -14.785 0.000 -11.528) 18.748 8.443 ( 12.940 -0.000 5.411) 14.026 8.988 ( 14.360 -0.000 -0.928) 14.390 26.768 ( 0.403 -0.000 48.411) 48.413 28.198 ( -6.016 0.000 16.064) 17.153 29.660 ( -8.925 0.000 -10.709) 13.941 32.322 ( 1.834 -0.000 -53.071) 53.103 95.131 ( 1.321 -0.000 19.257) 19.302 96.881 ( 4.780 -0.000 -15.591) 16.307======================= Grid point 890 (278/399) =======================q-point: (-0.57 0.36 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.539 ( -6.684 8.012 0.215) 10.436 2.806 ( -1.932 -5.878 1.895) 6.471 3.110 ( -4.831 0.186 2.684) 5.530 3.538 ( -15.470 -0.055 1.609) 15.554 4.015 ( -4.324 -0.135 5.326) 6.862 4.142 ( 3.494 -2.694 5.601) 7.130 4.833 ( -12.421 -1.894 -9.716) 15.883 5.289 ( -1.415 4.106 1.127) 4.487 5.400 ( -1.286 -4.543 0.664) 4.768 5.483 ( -8.460 0.294 -5.585) 10.141 8.665 ( 12.294 2.583 5.999) 13.921 9.245 ( 13.791 -0.134 -0.437) 13.799 26.780 ( 0.744 -0.454 47.925) 47.933 28.086 ( -6.122 0.085 14.539) 15.775 29.495 ( -9.069 -0.086 -11.103) 14.337 32.360 ( 2.041 -0.613 -54.230) 54.272 95.163 ( 1.938 -0.896 19.161) 19.280 96.967 ( 4.841 0.490 -17.460) 18.125======================= Grid point 891 (279/399) =======================q-point: (-0.50 0.36 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.371 ( -3.894 12.441 2.647) 13.302 2.787 ( -5.716 -3.665 10.140) 12.204 3.028 ( -3.229 -2.037 -1.624) 4.149 3.251 ( -16.163 -4.128 6.965) 18.078 3.975 ( -0.832 -2.271 1.366) 2.778 4.219 ( 3.114 -0.005 5.714) 6.508 4.617 ( -12.903 -4.190 -8.189) 15.847 5.155 ( -11.023 -1.317 -9.699) 14.741 5.339 ( 0.022 4.689 3.456) 5.825 5.518 ( 3.408 -5.387 5.600) 8.484 8.835 ( 9.520 5.705 7.094) 13.172 9.475 ( 11.137 -0.623 -0.402) 11.162 26.800 ( 0.882 -1.129 47.553) 47.574 27.984 ( -4.955 0.144 13.225) 14.123 29.344 ( -7.503 -0.036 -11.363) 13.617 32.402 ( 1.748 -1.357 -55.328) 55.372 95.211 ( 2.049 -2.263 18.975) 19.219 97.044 ( 4.055 0.975 -19.115) 19.565======================= Grid point 892 (280/399) =======================q-point: (-0.43 0.36 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.237 ( -0.738 13.474 5.519) 14.579 2.639 ( -8.187 4.756 18.302) 20.606 2.995 ( -6.974 -5.667 8.096) 12.095 3.108 ( -2.502 -11.255 -3.491) 12.046 4.012 ( 2.266 -3.303 -1.588) 4.308 4.237 ( -0.341 1.865 2.323) 2.999 4.458 ( -7.382 -3.974 1.291) 8.482 4.982 ( -8.024 -1.096 -10.968) 13.634 5.330 ( 1.068 1.997 3.218) 3.935 5.614 ( 2.338 -6.486 5.855) 9.045 8.919 ( 5.077 8.411 8.412) 12.934 9.642 ( 6.429 -0.834 -1.128) 6.580 26.825 ( 0.660 -1.944 47.352) 47.396 27.912 ( -2.758 0.172 12.333) 12.639 29.235 ( -4.328 0.164 -11.487) 12.277 32.439 ( 1.021 -2.081 -56.096) 56.143 95.265 ( 1.418 -3.954 18.631) 19.099 97.095 ( 2.380 1.403 -20.246) 20.434======================= Grid point 893 (281/399) =======================q-point: (-0.36 0.36 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 686Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.149 ( -0.000 11.739 8.263) 14.355 2.507 ( -0.000 6.959 20.979) 22.103 2.958 ( 0.000 -6.056 13.723) 15.000 3.194 ( 0.000 -14.242 -8.566) 16.619 4.067 ( 0.000 -3.781 -1.134) 3.948 4.219 ( 0.000 -0.507 -3.345) 3.383 4.398 ( -0.000 2.649 12.972) 13.240 4.910 ( 0.000 -0.550 -10.531) 10.545 5.342 ( 0.000 -2.399 0.034) 2.399 5.685 ( 0.000 -7.586 4.454) 8.797 8.901 ( -0.000 9.910 9.491) 13.722 9.706 ( -0.000 0.040 -2.352) 2.352 26.848 ( 0.000 -2.666 47.327) 47.402 27.886 ( -0.000 0.197 12.019) 12.021 29.193 ( -0.000 0.333 -11.499) 11.504 32.465 ( 0.000 -2.640 -56.330) 56.392 95.312 ( 0.000 -5.571 18.190) 19.024 97.105 ( -0.000 1.914 -20.478) 20.568======================= Grid point 904 (282/399) =======================q-point: (-0.57 0.43 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 687Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.476 ( -3.739 0.000 -0.991) 3.868 2.741 ( -2.859 0.000 9.245) 9.677 3.022 ( -4.775 0.000 1.450) 4.991 3.219 ( -17.895 0.000 6.775) 19.135 3.960 ( -1.090 0.000 1.134) 1.573 4.217 ( 4.586 -0.000 3.833) 5.977 4.581 ( -13.966 0.000 -9.953) 17.150 5.147 ( -11.383 0.000 -9.546) 14.856 5.400 ( 1.699 -0.000 5.399) 5.660 5.456 ( 2.022 -0.000 6.663) 6.963 8.877 ( 9.856 -0.000 6.524) 11.820 9.469 ( 10.827 -0.000 0.354) 10.832 26.792 ( 0.793 -0.000 47.487) 47.493 27.985 ( -4.966 0.000 13.205) 14.108 29.344 ( -7.441 0.000 -11.370) 13.588 32.392 ( 1.695 -0.000 -55.351) 55.377 95.195 ( 1.877 -0.000 19.069) 19.161 97.050 ( 4.028 -0.000 -19.314) 19.729======================= Grid point 906 (283/399) =======================q-point: (-0.50 0.43 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.401 ( -1.233 8.140 0.009) 8.233 2.682 ( -4.196 1.030 18.048) 18.558 2.938 ( -8.303 -1.332 6.616) 10.699 2.982 ( -5.100 -6.484 0.832) 8.291 3.984 ( 3.141 -0.844 -4.307) 5.397 4.271 ( 0.419 3.080 2.240) 3.832 4.372 ( -8.945 -6.258 -4.871) 11.954 4.972 ( -7.414 -0.319 -10.684) 13.008 5.399 ( 1.162 6.327 7.016) 9.518 5.523 ( 1.766 -6.411 8.307) 10.641 9.006 ( 5.429 3.460 7.217) 9.671 9.626 ( 6.046 -0.913 0.563) 6.141 26.807 ( 0.543 -0.672 47.233) 47.241 27.914 ( -2.772 0.061 12.314) 12.622 29.237 ( -4.231 0.061 -11.509) 12.262 32.419 ( 0.969 -0.752 -56.155) 56.168 95.228 ( 1.204 -1.318 18.937) 19.021 97.107 ( 2.319 0.434 -20.589) 20.724======================= Grid point 907 (284/399) =======================q-point: (-0.43 0.43 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 687Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.323 ( -0.000 11.823 1.907) 11.976 2.601 ( -0.000 6.130 20.915) 21.795 2.875 ( 0.000 -5.634 13.399) 14.535 3.018 ( 0.000 -10.662 -6.261) 12.364 4.037 ( 0.000 -0.499 -6.961) 6.979 4.213 ( 0.000 -0.286 -3.006) 3.020 4.365 ( 0.000 -5.402 5.664) 7.827 4.904 ( 0.000 -0.304 -10.857) 10.861 5.367 ( -0.000 5.398 6.247) 8.256 5.588 ( 0.000 -6.979 7.727) 10.412 9.019 ( -0.000 6.600 7.956) 10.337 9.691 ( 0.000 -1.546 -0.049) 1.547 26.820 ( 0.000 -1.406 47.190) 47.211 27.888 ( -0.000 0.109 12.003) 12.003 29.197 ( -0.000 0.185 -11.540) 11.542 32.436 ( 0.000 -1.495 -56.427) 56.447 95.254 ( 0.000 -2.780 18.765) 18.970 97.124 ( -0.000 0.848 -20.968) 20.985======================= Grid point 921 (285/399) =======================q-point: ( 0.50 -0.50 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 374Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.420 ( -0.000 0.000 -1.411) 1.411 2.653 ( -0.000 0.000 21.849) 21.849 2.825 ( -0.000 0.000 12.328) 12.328 2.931 ( 0.000 -0.000 -4.114) 4.114 4.039 ( -0.000 0.000 -10.671) 10.671 4.211 ( -0.000 0.000 -2.884) 2.884 4.314 ( -0.000 0.000 4.630) 4.630 4.902 ( -0.000 0.000 -10.974) 10.974 5.441 ( -0.000 0.000 7.271) 7.271 5.508 ( 0.000 -0.000 9.873) 9.873 9.068 ( -0.000 0.000 7.216) 7.216 9.678 ( -0.000 0.000 0.980) 0.980 26.810 ( -0.000 0.000 47.125) 47.125 27.889 ( -0.000 0.000 11.996) 11.996 29.198 ( -0.000 0.000 -11.555) 11.555 32.425 ( -0.000 0.000 -56.458) 56.458 95.235 ( -0.000 0.000 18.930) 18.930 97.130 ( -0.000 0.000 -21.117) 21.117======================= Grid point 1015 (286/399) =======================q-point: ( 0.00 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 399Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.648 ( 0.000 0.000 21.051) 21.051 3.041 ( 0.000 0.000 26.477) 26.477 3.362 ( 0.000 0.000 2.635) 2.635 3.722 ( 0.000 0.000 21.667) 21.667 4.204 ( 0.000 0.000 1.652) 1.652 4.208 ( 0.000 0.000 -12.881) 12.881 4.395 ( 0.000 0.000 2.826) 2.826 4.758 ( 0.000 0.000 -10.615) 10.615 5.295 ( 0.000 0.000 12.111) 12.111 6.424 ( 0.000 0.000 -16.688) 16.688 8.873 ( 0.000 0.000 3.480) 3.480 8.934 ( 0.000 0.000 -1.089) 1.089 28.024 ( 0.000 0.000 53.899) 53.899 28.124 ( 0.000 0.000 13.634) 13.634 28.935 ( 0.000 0.000 -13.022) 13.022 31.495 ( 0.000 0.000 -60.497) 60.497 96.016 ( 0.000 0.000 7.773) 7.773 96.594 ( 0.000 0.000 -11.481) 11.481======================= Grid point 1016 (287/399) =======================q-point: ( 0.07 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.636 ( -1.343 0.955 21.249) 21.312 3.000 ( -0.186 6.787 25.512) 26.400 3.387 ( 2.435 0.915 0.927) 2.762 3.819 ( 6.259 -8.020 19.100) 21.641 4.126 ( -1.741 12.657 -7.948) 15.047 4.249 ( 3.986 -2.627 1.465) 4.994 4.464 ( 3.210 -6.267 1.527) 7.205 4.817 ( 6.242 0.177 -10.602) 12.304 5.281 ( -1.450 0.034 10.735) 10.833 6.380 ( -2.616 5.622 -17.002) 18.097 8.790 ( -5.078 6.838 4.089) 9.448 8.931 ( -6.192 -12.039 -1.487) 13.619 28.002 ( -1.887 0.834 53.724) 53.764 28.154 ( 3.294 -0.074 13.980) 14.363 28.988 ( 5.596 -0.015 -12.716) 13.893 31.483 ( -0.972 0.728 -60.331) 60.343 95.975 ( -3.494 2.126 9.083) 9.961 96.589 ( -0.982 -1.077 -11.724) 11.814======================= Grid point 1017 (288/399) =======================q-point: ( 0.14 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1276Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.582 ( -1.277 6.347 21.647) 22.594 2.990 ( 2.023 0.220 22.145) 22.238 3.406 ( 0.315 2.498 -2.984) 3.904 3.947 ( 2.208 10.321 -3.596) 11.151 4.076 ( 5.323 -5.041 12.129) 14.173 4.378 ( 6.494 -4.600 6.573) 10.322 4.577 ( 6.898 -1.912 1.019) 7.230 4.959 ( 8.671 -0.247 -9.868) 13.139 5.244 ( -2.709 -0.457 7.030) 7.547 6.257 ( -4.359 10.860 -18.065) 21.524 8.622 ( -9.366 2.898 5.740) 11.361 8.870 ( -9.845 -12.529 -2.687) 16.159 27.953 ( -2.469 1.350 53.732) 53.805 28.240 ( 5.968 -0.184 14.916) 16.066 29.123 ( 9.048 0.193 -12.380) 15.335 31.451 ( -1.800 1.325 -59.859) 59.901 95.874 ( -5.269 3.141 12.023) 13.497 96.573 ( -1.820 -1.499 -12.218) 12.443======================= Grid point 1018 (289/399) =======================q-point: ( 0.21 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.530 ( 1.724 8.076 19.871) 21.519 3.055 ( 2.464 -5.863 17.565) 18.681 3.359 ( -2.295 4.822 -5.164) 7.429 3.859 ( -1.068 11.223 -7.734) 13.671 4.269 ( 8.517 -6.315 14.319) 17.817 4.488 ( 2.903 -1.777 8.777) 9.414 4.780 ( 14.369 -0.850 0.792) 14.416 5.098 ( 5.204 -1.039 -6.848) 8.664 5.194 ( -3.491 -1.605 1.892) 4.283 6.092 ( -3.345 14.657 -20.151) 25.141 8.429 ( -10.905 -1.150 7.148) 13.089 8.760 ( -11.205 -11.134 -3.667) 16.216 27.901 ( -2.119 1.499 54.195) 54.257 28.365 ( 7.517 -0.283 16.163) 17.828 29.297 ( 10.131 0.520 -12.369) 15.998 31.402 ( -2.345 1.675 -59.171) 59.241 95.755 ( -5.210 3.127 14.941) 16.130 96.546 ( -2.240 -1.407 -12.670) 12.943======================= Grid point 1019 (290/399) =======================q-point: ( 0.29 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1276Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.543 ( 5.127 5.899 15.625) 17.471 3.136 ( 0.641 -5.985 9.715) 11.428 3.284 ( -1.035 4.185 -2.004) 4.755 3.766 ( -2.340 6.823 -5.576) 9.117 4.421 ( 4.237 -0.671 12.031) 12.773 4.544 ( 3.986 -0.260 6.398) 7.542 5.057 ( 12.985 -0.728 0.912) 13.037 5.121 ( -2.072 -0.258 -1.440) 2.536 5.158 ( -2.160 -3.690 -4.510) 6.214 5.969 ( 1.736 14.473 -22.122) 26.493 8.257 ( -9.732 -3.513 7.991) 13.073 8.631 ( -10.504 -8.842 -4.148) 14.343 27.858 ( -1.497 1.369 54.804) 54.841 28.506 ( 7.637 -0.342 17.474) 19.073 29.470 ( 9.283 0.763 -12.510) 15.596 31.346 ( -2.480 1.699 -58.427) 58.504 95.650 ( -4.124 2.581 17.006) 17.689 96.514 ( -2.155 -1.105 -12.999) 13.222======================= Grid point 1020 (291/399) =======================q-point: ( 0.36 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.627 ( 7.160 2.500 10.089) 12.621 3.110 ( -3.396 3.312 -2.473) 5.350 3.319 ( 3.258 -4.915 6.860) 9.045 3.680 ( -3.040 3.950 -2.932) 5.783 4.441 ( 0.322 2.889 9.267) 9.712 4.619 ( 2.499 0.529 3.872) 4.639 5.055 ( -4.688 0.014 -2.799) 5.460 5.062 ( -4.237 -1.648 -2.901) 5.393 5.342 ( 11.928 -1.909 -2.296) 12.296 5.951 ( 4.821 9.895 -20.907) 23.628 8.133 ( -6.831 -3.792 8.289) 11.391 8.513 ( -8.154 -6.033 -4.092) 10.937 27.828 ( -0.908 1.034 55.330) 55.347 28.635 ( 6.244 -0.323 18.635) 19.656 29.613 ( 6.978 0.770 -12.667) 14.482 31.293 ( -2.110 1.380 -57.809) 57.864 95.573 ( -2.725 1.812 18.191) 18.483 96.486 ( -1.657 -0.744 -13.217) 13.341======================= Grid point 1021 (292/399) =======================q-point: ( 0.43 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1276Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.754 ( 7.267 -0.757 4.534) 8.599 3.010 ( -4.357 4.505 -2.667) 6.812 3.420 ( 3.521 -5.388 5.037) 8.173 3.601 ( -3.070 2.952 -0.247) 4.266 4.423 ( 0.033 2.153 7.427) 7.733 4.602 ( -2.536 1.829 1.980) 3.701 4.999 ( -1.289 -0.852 -2.899) 3.285 5.014 ( -2.152 -0.562 -4.679) 5.180 5.524 ( 6.709 -1.097 -3.720) 7.750 5.977 ( 3.218 4.826 -18.404) 19.296 8.063 ( -3.358 -2.376 8.227) 9.198 8.429 ( -4.509 -3.014 -3.740) 6.588 27.811 ( -0.420 0.555 55.677) 55.681 28.727 ( 3.524 -0.202 19.457) 19.774 29.705 ( 3.719 0.486 -12.789) 13.328 31.255 ( -1.227 0.774 -57.432) 57.450 95.527 ( -1.334 0.934 18.754) 18.824 96.466 ( -0.893 -0.371 -13.343) 13.378======================= Grid point 1022 (293/399) =======================q-point: (-0.50 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 650Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.880 ( 0.000 -0.000 0.496) 0.496 2.900 ( -0.000 0.000 -0.440) 0.440 3.499 ( 0.000 -0.000 2.211) 2.211 3.537 ( -0.000 0.000 2.451) 2.451 4.416 ( 0.000 -0.000 6.799) 6.799 4.561 ( 0.000 -0.000 1.565) 1.565 4.995 ( -0.000 -0.000 -5.294) 5.294 4.997 ( 0.000 0.000 -3.142) 3.142 5.589 ( 0.000 -0.000 -4.419) 4.419 5.990 ( 0.000 -0.000 -17.276) 17.276 8.042 ( 0.000 -0.000 8.138) 8.138 8.398 ( 0.000 -0.000 -3.537) 3.537 27.805 ( 0.000 -0.000 55.798) 55.798 28.760 ( 0.000 -0.000 19.758) 19.758 29.738 ( 0.000 -0.000 -12.837) 12.837 31.241 ( 0.000 -0.000 -57.311) 57.311 95.512 ( 0.000 -0.000 18.915) 18.915 96.459 ( 0.000 -0.000 -13.385) 13.385======================= Grid point 1031 (294/399) =======================q-point: ( 0.07 0.07 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 686Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.629 ( 0.027 -0.000 20.331) 20.331 2.994 ( -1.767 0.000 24.450) 24.513 3.424 ( 0.589 -0.000 -2.213) 2.290 3.960 ( 11.028 -0.000 14.900) 18.537 4.126 ( -3.978 0.000 -10.451) 11.182 4.316 ( 6.385 -0.000 8.481) 10.616 4.561 ( 9.068 -0.000 0.195) 9.070 4.957 ( 8.429 -0.000 -9.904) 13.006 5.244 ( -2.706 0.000 9.632) 10.005 6.335 ( -4.329 0.000 -18.576) 19.074 8.686 ( -12.194 0.000 1.196) 12.252 8.737 ( -6.866 0.000 1.781) 7.093 27.963 ( -2.587 0.000 53.723) 53.785 28.238 ( 5.953 -0.000 14.869) 16.017 29.125 ( 9.135 -0.000 -12.337) 15.351 31.460 ( -1.852 0.000 -59.816) 59.845 95.897 ( -5.640 0.000 11.372) 12.693 96.561 ( -1.624 0.000 -11.577) 11.690======================= Grid point 1032 (295/399) =======================q-point: ( 0.14 0.07 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.630 ( 2.015 4.934 18.417) 19.172 2.981 ( -0.551 -3.842 21.775) 22.118 3.402 ( -2.165 1.514 -4.043) 4.830 3.995 ( -4.668 6.604 -11.255) 13.859 4.203 ( 11.588 -2.672 13.391) 17.909 4.439 ( 4.555 -3.546 7.842) 9.737 4.773 ( 14.201 -0.174 0.927) 14.233 5.089 ( 5.140 -0.365 -7.488) 9.090 5.186 ( -3.501 0.049 6.281) 7.192 6.237 ( -3.981 5.549 -21.071) 22.150 8.441 ( -12.571 2.029 4.174) 13.400 8.626 ( -8.815 -6.783 -0.634) 11.141 27.915 ( -2.341 0.543 54.185) 54.238 28.362 ( 7.503 -0.113 16.144) 17.802 29.302 ( 10.234 0.196 -12.299) 16.001 31.418 ( -2.496 0.593 -59.114) 59.170 95.786 ( -5.834 1.192 14.218) 15.415 96.531 ( -1.936 -0.573 -11.799) 11.970======================= Grid point 1033 (296/399) =======================q-point: ( 0.21 0.07 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.642 ( 4.432 7.615 15.617) 17.931 3.027 ( 0.560 -8.356 16.832) 18.800 3.339 ( -2.738 2.881 -4.118) 5.723 3.858 ( -5.311 5.762 -8.826) 11.803 4.409 ( 8.601 -0.616 9.847) 13.088 4.520 ( 2.742 -2.823 6.309) 7.436 5.042 ( 12.267 -1.126 -0.983) 12.358 5.123 ( -1.999 0.044 0.665) 2.107 5.130 ( -0.423 -0.383 -1.262) 1.385 6.137 ( -0.962 8.922 -23.237) 24.909 8.228 ( -10.194 -0.773 6.471) 12.099 8.517 ( -8.304 -6.890 -2.344) 11.042 27.873 ( -1.788 0.773 54.809) 54.844 28.502 ( 7.637 -0.221 17.498) 19.093 29.478 ( 9.310 0.454 -12.425) 15.533 31.365 ( -2.762 0.934 -58.377) 58.450 95.679 ( -4.811 1.517 16.468) 17.223 96.501 ( -1.840 -0.696 -12.157) 12.315======================= Grid point 1034 (297/399) =======================q-point: ( 0.29 0.07 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.689 ( 6.140 6.247 11.503) 14.458 3.089 ( -0.597 -6.476 8.414) 10.634 3.288 ( -0.344 0.954 -0.601) 1.179 3.730 ( -5.327 3.172 -5.672) 8.403 4.478 ( 0.996 2.451 7.816) 8.252 4.607 ( 3.427 -1.985 3.980) 5.615 5.043 ( -4.605 -0.659 -2.220) 5.154 5.055 ( -3.856 -0.304 -3.111) 4.964 5.324 ( 12.493 -0.647 -0.049) 12.510 6.083 ( 1.335 8.414 -22.540) 24.096 8.091 ( -6.170 -2.202 7.731) 10.133 8.430 ( -6.016 -5.549 -3.157) 8.773 27.841 ( -1.252 0.731 55.345) 55.364 28.631 ( 6.278 -0.282 18.674) 19.703 29.622 ( 6.868 0.594 -12.576) 14.341 31.310 ( -2.532 0.942 -57.772) 57.835 95.595 ( -3.406 1.309 17.865) 18.234 96.476 ( -1.363 -0.572 -12.557) 12.643======================= Grid point 1035 (298/399) =======================q-point: ( 0.36 0.07 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.770 ( 6.103 2.984 6.622) 9.487 3.064 ( -3.476 2.271 -0.605) 4.196 3.334 ( 2.768 -5.902 4.343) 7.833 3.625 ( -4.807 0.572 -2.297) 5.358 4.459 ( -0.510 2.727 6.753) 7.300 4.615 ( -2.877 0.301 2.175) 3.619 4.987 ( -1.111 -0.587 -2.921) 3.180 5.010 ( -1.598 -0.285 -4.476) 4.762 5.510 ( 7.249 -0.740 -2.358) 7.658 6.052 ( 0.266 5.597 -19.730) 20.510 8.034 ( -1.881 -1.822 8.077) 8.491 8.383 ( -2.462 -3.352 -3.347) 5.338 27.818 ( -0.807 0.463 55.693) 55.700 28.724 ( 3.605 -0.254 19.469) 19.801 29.712 ( 3.463 0.490 -12.714) 13.186 31.264 ( -1.768 0.603 -57.413) 57.443 95.539 ( -2.015 0.774 18.603) 18.728 96.461 ( -0.617 -0.327 -12.973) 12.992======================= Grid point 1036 (299/399) =======================q-point: ( 0.43 0.07 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.858 ( 4.073 -0.794 2.063) 4.634 2.955 ( -5.088 5.356 -1.163) 7.479 3.436 ( 2.976 -6.649 2.661) 7.755 3.548 ( -3.726 -0.403 0.748) 3.822 4.431 ( -0.796 1.877 6.616) 6.923 4.556 ( -2.207 -0.605 1.838) 2.935 4.985 ( 0.060 -0.618 -3.979) 4.027 5.008 ( 1.229 0.790 -4.473) 4.706 5.587 ( 0.729 -0.251 -3.957) 4.031 6.005 ( -2.688 2.009 -17.320) 17.642 8.042 ( 1.876 -0.035 8.004) 8.221 8.392 ( 1.926 -0.774 -3.443) 4.020 27.805 ( -0.415 0.020 55.810) 55.812 28.759 ( 0.111 -0.121 19.723) 19.724 29.738 ( -0.334 0.132 -12.810) 12.815 31.241 ( -0.608 -0.021 -57.314) 57.317 95.512 ( -0.698 0.013 18.912) 18.925 96.459 ( 0.269 -0.018 -13.379) 13.382======================= Grid point 1037 (300/399) =======================q-point: (-0.50 0.07 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.788 ( -7.702 3.953 2.525) 9.018 2.953 ( 3.189 -3.389 -2.065) 5.091 3.464 ( -3.420 0.365 3.362) 4.810 3.548 ( 2.717 -4.258 0.330) 5.062 4.407 ( -0.950 -0.037 7.591) 7.650 4.563 ( 0.705 -3.624 2.057) 4.226 5.001 ( 1.335 -0.314 -3.022) 3.319 5.034 ( 2.989 1.957 -4.405) 5.672 5.539 ( -5.766 0.961 -4.362) 7.294 5.927 ( -6.002 -2.220 -16.854) 18.028 8.097 ( 5.123 2.392 8.039) 9.828 8.464 ( 6.393 1.952 -3.860) 7.719 27.803 ( -0.007 -0.533 55.684) 55.687 28.729 ( -3.428 0.073 19.375) 19.676 29.700 ( -4.012 -0.345 -12.825) 13.442 31.244 ( 0.625 -0.798 -57.457) 57.466 95.514 ( 0.607 -0.902 18.907) 18.938 96.471 ( 1.170 0.333 -13.733) 13.787======================= Grid point 1038 (301/399) =======================q-point: (-0.43 0.07 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.622 ( -8.081 1.731 7.594) 11.224 3.038 ( 2.576 -6.077 -4.639) 8.068 3.382 ( -4.052 3.155 6.558) 8.329 3.625 ( 2.328 -3.818 -1.644) 4.764 4.402 ( -0.670 -2.498 9.557) 9.900 4.588 ( -2.058 -3.952 3.614) 5.737 5.046 ( 3.235 -1.074 -2.366) 4.149 5.093 ( 5.045 2.550 -2.813) 6.314 5.376 ( -10.101 2.934 -3.987) 11.248 5.827 ( -8.464 -7.459 -18.464) 21.638 8.192 ( 8.047 4.515 8.318) 12.423 8.590 ( 10.026 4.839 -4.545) 12.025 27.813 ( 0.482 -1.121 55.335) 55.349 28.639 ( -6.195 0.243 18.527) 19.537 29.602 ( -7.126 -0.728 -12.749) 14.623 31.272 ( 1.581 -1.558 -57.854) 57.896 95.547 ( 1.946 -1.914 18.556) 18.756 96.496 ( 1.959 0.724 -13.990) 14.145======================= Grid point 1039 (302/399) =======================q-point: (-0.36 0.07 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.489 ( -6.328 -1.743 13.490) 15.002 3.131 ( 2.708 -6.504 -5.475) 8.922 3.279 ( -4.577 3.245 9.161) 10.743 3.682 ( 0.583 -5.001 -3.131) 5.929 4.410 ( -0.933 -2.780 12.757) 13.090 4.532 ( -5.628 -1.595 6.431) 8.694 5.059 ( -10.301 -0.632 0.583) 10.337 5.130 ( 2.100 1.145 -2.630) 3.555 5.231 ( 1.918 6.355 -4.976) 8.296 5.760 ( -5.860 -14.672 -20.216) 25.657 8.322 ( 10.154 5.553 8.688) 14.471 8.749 ( 12.275 7.785 -5.197) 15.437 27.837 ( 1.083 -1.672 54.819) 54.855 28.511 ( -7.634 0.330 17.382) 18.988 29.458 ( -9.248 -0.851 -12.615) 15.665 31.319 ( 2.068 -2.147 -58.493) 58.569 95.611 ( 3.258 -2.990 17.687) 18.231 96.530 ( 2.495 1.156 -14.112) 14.378======================= Grid point 1040 (303/399) =======================q-point: (-0.29 0.07 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.431 ( -2.713 -5.677 18.931) 19.949 3.129 ( -4.887 4.470 13.318) 14.874 3.266 ( 2.104 -8.447 -6.383) 10.794 3.716 ( -1.950 -8.710 -4.283) 9.900 4.357 ( -4.791 5.387 15.018) 16.659 4.467 ( -2.948 -4.485 9.800) 11.174 4.800 ( -14.252 2.037 0.639) 14.411 5.118 ( -4.831 1.905 -5.816) 7.797 5.236 ( 2.747 4.095 -2.842) 5.691 5.853 ( 2.492 -18.652 -18.069) 26.088 8.474 ( 10.585 5.038 8.962) 14.756 8.914 ( 12.715 10.504 -5.626) 17.426 27.875 ( 1.731 -2.120 54.238) 54.307 28.369 ( -7.542 0.334 16.137) 17.816 29.288 ( -9.951 -0.677 -12.486) 15.981 31.373 ( 2.069 -2.451 -59.263) 59.350 95.704 ( 4.270 -4.082 16.061) 17.113 96.567 ( 2.624 1.627 -14.061) 14.396======================= Grid point 1041 (304/399) =======================q-point: (-0.21 0.07 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.473 ( 1.832 -8.440 22.497) 24.098 2.995 ( -7.169 0.970 18.432) 19.801 3.354 ( 1.103 -5.234 -4.887) 7.246 3.750 ( -2.445 -14.595 -6.032) 15.980 4.212 ( -4.349 10.547 16.270) 19.871 4.411 ( -6.995 0.435 8.224) 10.805 4.593 ( -5.819 0.160 3.572) 6.830 4.965 ( -9.398 0.700 -9.809) 13.602 5.266 ( 2.749 2.780 1.579) 4.216 6.053 ( 4.552 -17.540 -16.283) 24.362 8.624 ( 8.801 2.936 8.887) 12.847 9.049 ( 10.832 12.626 -5.737) 17.597 27.927 ( 2.151 -2.376 53.795) 53.890 28.243 ( -6.006 0.277 14.973) 16.136 29.120 ( -8.812 -0.306 -12.490) 15.289 31.424 ( 1.653 -2.416 -59.970) 60.042 95.816 ( 4.415 -4.996 13.594) 15.141 96.599 ( 2.201 2.093 -13.779) 14.110======================= Grid point 1042 (305/399) =======================q-point: (-0.14 0.07 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.595 ( 4.939 -5.840 22.785) 24.034 2.881 ( -6.951 -7.407 22.602) 24.780 3.367 ( -1.781 -2.009 0.776) 2.795 3.838 ( -0.142 -14.543 -6.858) 16.079 4.068 ( -2.083 12.401 16.910) 21.073 4.264 ( -6.476 0.569 2.357) 6.916 4.543 ( -0.759 2.841 5.613) 6.337 4.813 ( -6.605 -0.438 -10.697) 12.580 5.289 ( 1.468 1.646 5.680) 6.093 6.235 ( 2.768 -14.628 -15.931) 21.804 8.740 ( 4.981 -0.228 8.143) 9.548 9.115 ( 6.363 13.744 -5.307) 16.049 27.980 ( 1.731 -2.290 53.778) 53.855 28.156 ( -3.335 0.183 14.058) 14.450 28.989 ( -5.442 0.052 -12.774) 13.885 31.464 ( 0.922 -2.059 -60.434) 60.476 95.921 ( 3.025 -5.255 10.767) 12.357 96.615 ( 1.220 2.370 -13.199) 13.466======================= Grid point 1043 (306/399) =======================q-point: (-0.07 0.07 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 686Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.658 ( -0.000 1.481 20.839) 20.892 2.904 ( 0.000 -16.263 26.147) 30.792 3.354 ( 0.000 -1.024 2.955) 3.127 3.845 ( -0.000 10.937 14.878) 18.466 4.053 ( 0.000 -12.040 -4.564) 12.876 4.202 ( 0.000 -0.235 1.543) 1.561 4.499 ( -0.000 7.656 3.260) 8.321 4.754 ( 0.000 -0.584 -10.698) 10.714 5.296 ( -0.000 0.492 9.192) 9.205 6.348 ( 0.000 -10.565 -16.206) 19.346 8.800 ( 0.000 -3.643 6.528) 7.475 9.079 ( -0.000 13.532 -3.962) 14.100 28.012 ( 0.000 -1.718 53.969) 53.996 28.124 ( -0.000 0.098 13.632) 13.632 28.936 ( -0.000 0.147 -13.035) 13.036 31.484 ( 0.000 -1.457 -60.556) 60.574 95.985 ( 0.000 -4.273 8.834) 9.813 96.610 ( -0.000 2.081 -12.381) 12.555======================= Grid point 1046 (307/399) =======================q-point: ( 0.14 0.14 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 687Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.712 ( 4.835 -0.000 13.833) 14.654 2.951 ( -0.559 0.000 20.406) 20.414 3.359 ( -2.896 0.000 -4.009) 4.945 3.903 ( -7.084 0.000 -10.481) 12.651 4.407 ( 10.903 -0.000 8.643) 13.913 4.493 ( 2.379 -0.000 6.597) 7.012 5.033 ( 11.541 -0.000 -1.261) 11.610 5.120 ( -1.635 0.000 -4.341) 4.638 5.134 ( 0.109 -0.000 5.667) 5.669 6.201 ( -1.907 0.000 -23.617) 23.694 8.226 ( -10.927 0.000 5.381) 12.180 8.464 ( -6.893 0.000 -1.150) 6.988 27.879 ( -1.894 0.000 54.815) 54.848 28.500 ( 7.637 -0.000 17.498) 19.092 29.482 ( 9.320 -0.000 -12.392) 15.506 31.371 ( -2.862 0.000 -58.358) 58.428 95.690 ( -5.077 0.000 16.260) 17.034 96.496 ( -1.708 0.000 -11.840) 11.963======================= Grid point 1047 (308/399) =======================q-point: ( 0.21 0.14 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.789 ( 6.083 7.015 10.562) 14.063 2.975 ( 0.178 -7.890 14.941) 16.897 3.310 ( -1.778 1.177 -3.044) 3.717 3.762 ( -7.628 1.264 -8.120) 11.213 4.508 ( 0.711 1.643 6.284) 6.534 4.575 ( 5.485 -1.970 4.387) 7.295 5.039 ( -3.359 0.026 -2.033) 3.926 5.051 ( -4.647 -0.257 -2.750) 5.406 5.320 ( 12.400 -0.073 1.531) 12.494 6.167 ( -0.761 3.294 -23.341) 23.585 8.072 ( -6.125 -0.585 7.023) 9.337 8.371 ( -4.334 -2.403 -2.224) 5.431 27.848 ( -1.445 0.264 55.362) 55.382 28.628 ( 6.294 -0.112 18.676) 19.709 29.628 ( 6.809 0.224 -12.516) 14.250 31.319 ( -2.765 0.334 -57.752) 57.819 95.608 ( -3.808 0.479 17.670) 18.082 96.471 ( -1.176 -0.217 -12.173) 12.232======================= Grid point 1048 (309/399) =======================q-point: ( 0.29 0.14 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1276Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.835 ( 4.347 6.253 8.393) 11.333 3.043 ( 0.857 -5.474 5.320) 7.681 3.290 ( 0.295 -0.320 -0.187) 0.474 3.621 ( -7.501 -0.845 -5.037) 9.074 4.491 ( -1.015 1.636 6.015) 6.316 4.616 ( -1.892 -0.108 2.479) 3.121 4.985 ( -1.051 0.313 -3.020) 3.213 5.003 ( -1.364 -0.659 -4.075) 4.347 5.504 ( 7.416 -0.283 -1.020) 7.492 6.120 ( -2.033 3.702 -20.540) 20.970 8.014 ( -0.983 -0.907 7.712) 7.827 8.342 ( -0.727 -2.327 -2.838) 3.741 27.823 ( -1.076 0.264 55.717) 55.728 28.721 ( 3.657 -0.176 19.444) 19.786 29.718 ( 3.291 0.309 -12.639) 13.064 31.271 ( -2.142 0.328 -57.401) 57.442 95.548 ( -2.502 0.440 18.491) 18.664 96.458 ( -0.411 -0.193 -12.705) 12.714======================= Grid point 1049 (310/399) =======================q-point: ( 0.36 0.14 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.864 ( 1.846 1.473 4.597) 5.168 3.031 ( -2.784 5.063 -1.044) 5.871 3.342 ( 2.912 -5.924 1.626) 6.798 3.518 ( -5.334 -3.584 -1.783) 6.669 4.457 ( -1.361 1.484 6.153) 6.474 4.551 ( -3.826 0.061 2.545) 4.595 4.979 ( 0.142 -0.305 -3.787) 3.802 5.016 ( 2.152 0.469 -4.737) 5.224 5.584 ( 1.191 -0.204 -2.960) 3.197 6.038 ( -4.803 2.358 -17.379) 18.184 8.041 ( 3.365 -0.002 7.682) 8.386 8.379 ( 3.541 -1.010 -3.217) 4.890 27.806 ( -0.749 0.025 55.838) 55.843 28.757 ( 0.200 -0.150 19.644) 19.646 29.741 ( -0.600 0.164 -12.750) 12.765 31.240 ( -1.095 -0.026 -57.320) 57.330 95.512 ( -1.259 0.016 18.905) 18.946 96.459 ( 0.485 -0.023 -13.365) 13.374======================= Grid point 1050 (311/399) =======================q-point: (-0.57 0.14 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1276Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.848 ( -5.267 3.276 1.646) 6.417 2.931 ( -1.221 1.417 -1.043) 2.142 3.424 ( -1.068 -5.465 1.358) 5.732 3.495 ( 1.597 -3.493 -0.814) 3.926 4.418 ( -1.929 1.323 7.141) 7.514 4.509 ( -2.046 -3.708 2.623) 4.981 4.996 ( 1.354 -0.365 -2.603) 2.957 5.060 ( 3.707 1.752 -4.525) 6.106 5.549 ( -4.784 0.557 -4.092) 6.320 5.914 ( -8.028 0.041 -15.549) 17.499 8.128 ( 6.792 1.946 7.610) 10.384 8.483 ( 7.863 0.855 -3.747) 8.752 27.797 ( -0.392 -0.412 55.713) 55.716 28.729 ( -3.334 -0.034 19.239) 19.526 29.696 ( -4.282 -0.173 -12.812) 13.509 31.233 ( 0.082 -0.657 -57.483) 57.487 95.503 ( -0.025 -0.702 19.033) 19.046 96.475 ( 1.397 0.241 -14.066) 14.137======================= Grid point 1051 (312/399) =======================q-point: (-0.50 0.14 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.672 ( -8.553 5.290 4.752) 11.123 2.955 ( 0.575 -5.500 -3.610) 6.604 3.393 ( -3.758 -1.613 4.317) 5.946 3.578 ( 3.191 -2.810 -2.222) 4.797 4.376 ( -2.511 -1.144 8.450) 8.890 4.512 ( -2.301 -6.621 3.382) 7.783 5.029 ( 1.680 -1.213 -1.273) 2.432 5.129 ( 5.077 2.481 -2.777) 6.296 5.417 ( -7.801 2.629 -4.423) 9.345 5.752 ( -10.968 -3.303 -15.727) 19.456 8.254 ( 9.464 4.232 7.899) 13.033 8.645 ( 11.401 3.046 -4.517) 12.636 27.798 ( 0.060 -0.989 55.363) 55.372 28.642 ( -6.135 0.115 18.353) 19.352 29.593 ( -7.284 -0.540 -12.792) 14.730 31.251 ( 1.049 -1.428 -57.899) 57.926 95.521 ( 1.230 -1.648 18.880) 18.992 96.505 ( 2.201 0.572 -14.714) 14.888======================= Grid point 1052 (313/399) =======================q-point: (-0.43 0.14 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1276Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.497 ( -7.345 2.833 9.977) 12.709 3.019 ( 1.215 -8.543 -6.260) 10.660 3.316 ( -5.058 1.308 7.767) 9.361 3.629 ( 0.258 -2.631 -2.492) 3.633 4.349 ( -2.797 -5.275 10.102) 11.735 4.496 ( -3.873 -4.027 6.649) 8.685 5.032 ( -6.886 -3.212 -1.393) 7.725 5.160 ( 1.098 3.124 -0.622) 3.369 5.320 ( 2.250 5.964 -4.389) 7.739 5.588 ( -10.408 -9.486 -17.232) 22.254 8.404 ( 11.073 6.089 8.567) 15.267 8.842 ( 13.483 5.471 -5.385) 15.515 27.813 ( 0.633 -1.641 54.857) 54.886 28.515 ( -7.622 0.230 17.210) 18.824 29.447 ( -9.220 -0.737 -12.704) 15.714 31.288 ( 1.606 -2.180 -58.561) 58.624 95.570 ( 2.427 -2.782 18.332) 18.701 96.545 ( 2.757 0.956 -15.230) 15.507======================= Grid point 1053 (314/399) =======================q-point: (-0.36 0.14 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.383 ( -4.167 -0.970 15.652) 16.226 3.118 ( 2.121 -9.949 -6.844) 12.260 3.192 ( -7.038 1.991 10.320) 12.649 3.623 ( -3.629 -4.751 -2.047) 6.319 4.348 ( -2.764 -7.795 11.663) 14.298 4.432 ( -3.998 0.784 10.506) 11.268 4.829 ( -12.837 1.514 -0.299) 12.929 5.152 ( -4.027 2.962 -4.036) 6.425 5.288 ( -0.608 2.377 -5.956) 6.442 5.612 ( 3.225 -14.186 -13.185) 19.634 8.560 ( 10.975 6.991 9.454) 16.084 9.043 ( 13.626 7.916 -6.251) 16.953 27.844 ( 1.264 -2.302 54.315) 54.379 28.374 ( -7.567 0.280 16.019) 17.719 29.279 ( -9.735 -0.652 -12.610) 15.944 31.336 ( 1.717 -2.762 -59.364) 59.453 95.646 ( 3.324 -4.074 17.206) 17.991 96.589 ( 2.907 1.390 -15.552) 15.882======================= Grid point 1054 (315/399) =======================q-point: (-0.29 0.14 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1276Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.371 ( 0.425 -5.625 20.423) 21.188 3.016 ( -9.461 1.894 15.830) 18.539 3.250 ( 2.970 -9.939 -7.915) 13.048 3.579 ( -5.854 -9.453 -2.091) 11.313 4.307 ( -4.448 1.270 11.120) 12.044 4.388 ( -2.216 -3.108 11.143) 11.779 4.612 ( -7.885 3.638 4.559) 9.808 4.978 ( -10.714 1.068 -9.859) 14.599 5.307 ( 2.595 2.194 -1.652) 3.778 5.807 ( 5.325 -16.188 -12.310) 21.022 8.693 ( 8.836 6.682 10.258) 15.098 9.209 ( 11.372 10.152 -7.037) 16.790 27.890 ( 1.712 -2.884 53.926) 54.031 28.247 ( -6.051 0.273 14.938) 16.119 29.115 ( -8.489 -0.311 -12.629) 15.221 31.386 ( 1.432 -3.062 -60.111) 60.206 95.742 ( 3.482 -5.399 15.395) 16.681 96.627 ( 2.493 1.873 -15.607) 15.916======================= Grid point 1055 (316/399) =======================q-point: (-0.21 0.14 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.476 ( 5.006 -9.838 23.111) 25.612 2.833 ( -9.679 -0.040 19.096) 21.409 3.327 ( -0.387 -4.021 0.140) 4.042 3.596 ( -1.746 -17.599 -8.627) 19.677 4.222 ( -2.395 3.472 7.858) 8.919 4.310 ( -4.286 8.264 10.853) 14.299 4.536 ( -0.904 -2.114 10.800) 11.042 4.806 ( -7.369 -0.555 -10.851) 13.128 5.327 ( 1.520 3.160 0.544) 3.549 6.003 ( 3.099 -17.348 -13.244) 22.045 8.778 ( 4.924 5.179 10.538) 12.732 9.297 ( 6.570 12.010 -7.455) 15.588 27.941 ( 1.451 -3.217 53.932) 54.047 28.159 ( -3.382 0.227 14.074) 14.476 28.990 ( -5.185 0.100 -12.868) 13.873 31.428 ( 0.827 -3.024 -60.599) 60.680 95.838 ( 2.411 -6.393 13.147) 14.816 96.649 ( 1.444 2.358 -15.268) 15.516======================= Grid point 1056 (317/399) =======================q-point: (-0.14 0.14 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 687Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.664 ( 0.000 -16.833 24.832) 29.999 2.689 ( -0.000 2.860 20.224) 20.425 3.333 ( 0.000 -2.050 3.875) 4.384 3.722 ( 0.000 -19.190 -11.717) 22.484 4.163 ( -0.000 17.327 19.180) 25.848 4.198 ( 0.000 -0.403 1.248) 1.312 4.546 ( 0.000 -0.895 9.360) 9.403 4.743 ( 0.000 -1.065 -10.935) 10.987 5.319 ( -0.000 2.889 3.081) 4.224 6.151 ( 0.000 -16.789 -14.457) 22.156 8.795 ( -0.000 2.741 9.874) 10.247 9.269 ( -0.000 13.313 -6.994) 15.039 27.978 ( 0.000 -3.031 54.128) 54.212 28.126 ( -0.000 0.176 13.627) 13.628 28.939 ( -0.000 0.264 -13.071) 13.074 31.455 ( 0.000 -2.664 -60.709) 60.767 95.907 ( 0.000 -6.478 11.261) 12.991 96.644 ( -0.000 2.644 -14.406) 14.646======================= Grid point 1061 (318/399) =======================q-point: ( 0.21 0.21 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 686Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.924 ( -1.384 0.000 12.373) 12.450 2.954 ( 7.781 -0.000 4.169) 8.827 3.295 ( -0.438 0.000 -1.519) 1.581 3.613 ( -9.021 0.000 -6.497) 11.118 4.502 ( -1.350 0.000 5.707) 5.864 4.615 ( -1.143 0.000 2.629) 2.866 4.993 ( -0.511 0.000 -3.318) 3.357 4.993 ( -1.869 0.000 -3.644) 4.095 5.502 ( 7.434 -0.000 -0.467) 7.449 6.147 ( -2.909 0.000 -20.802) 21.004 8.008 ( -0.710 0.000 7.505) 7.538 8.325 ( -0.012 0.000 -2.587) 2.587 27.825 ( -1.172 0.000 55.728) 55.741 28.719 ( 3.675 -0.000 19.428) 19.773 29.720 ( 3.230 -0.000 -12.609) 13.016 31.273 ( -2.275 0.000 -57.397) 57.442 95.551 ( -2.680 0.000 18.449) 18.643 96.456 ( -0.333 0.000 -12.608) 12.612======================= Grid point 1062 (319/399) =======================q-point: ( 0.29 0.21 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.888 ( -1.172 1.450 7.212) 7.449 3.076 ( 3.295 1.140 -0.130) 3.489 3.294 ( 0.517 -0.971 -0.077) 1.103 3.466 ( -6.974 -2.903 -4.329) 8.706 4.469 ( -2.089 0.267 5.769) 6.141 4.556 ( -4.187 0.412 3.150) 5.255 4.976 ( -0.002 -0.079 -3.779) 3.780 5.021 ( 2.828 0.137 -4.834) 5.602 5.582 ( 1.386 -0.059 -2.194) 2.596 6.063 ( -5.973 1.005 -17.392) 18.417 8.041 ( 4.174 0.017 7.399) 8.496 8.368 ( 4.492 -0.468 -3.019) 5.432 27.806 ( -0.935 0.011 55.861) 55.868 28.756 ( 0.248 -0.067 19.582) 19.583 29.742 ( -0.747 0.073 -12.703) 12.725 31.240 ( -1.366 -0.012 -57.325) 57.341 95.512 ( -1.571 0.007 18.899) 18.964 96.459 ( 0.605 -0.010 -13.354) 13.368======================= Grid point 1063 (320/399) =======================q-point: (-0.64 0.21 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.861 ( -1.716 -0.200 3.015) 3.475 3.000 ( -6.621 6.523 -1.476) 9.411 3.338 ( -0.461 -6.160 0.623) 6.208 3.447 ( 2.738 -3.116 -3.538) 5.452 4.428 ( -2.512 -0.447 6.202) 6.706 4.476 ( -4.608 -0.612 3.779) 5.991 4.992 ( 1.372 -0.218 -2.255) 2.649 5.080 ( 4.194 0.985 -4.674) 6.357 5.555 ( -4.150 0.253 -3.442) 5.398 5.920 ( -9.145 0.622 -14.745) 17.362 8.149 ( 7.987 1.116 7.166) 10.789 8.489 ( 8.790 0.196 -3.551) 9.482 27.792 ( -0.659 -0.223 55.744) 55.748 28.728 ( -3.265 -0.054 19.111) 19.388 29.694 ( -4.472 -0.056 -12.777) 13.537 31.226 ( -0.295 -0.372 -57.504) 57.506 95.495 ( -0.451 -0.382 19.115) 19.124 96.478 ( 1.543 0.125 -14.286) 14.370======================= Grid point 1064 (321/399) =======================q-point: (-0.57 0.21 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.758 ( -8.142 6.499 2.299) 10.669 2.892 ( -2.107 -3.290 -2.073) 4.423 3.344 ( -2.692 -4.962 2.698) 6.257 3.548 ( 4.756 -1.590 -4.315) 6.616 4.368 ( -4.763 -0.095 6.806) 8.308 4.419 ( -3.748 -6.236 3.897) 8.254 5.015 ( 0.378 -0.716 -0.243) 0.845 5.159 ( 5.382 1.810 -2.773) 6.319 5.446 ( -6.291 1.495 -3.945) 7.575 5.728 ( -11.973 -0.489 -13.609) 18.133 8.305 ( 10.713 3.052 7.299) 13.318 8.675 ( 12.243 1.438 -4.222) 13.030 27.786 ( -0.278 -0.674 55.400) 55.405 28.643 ( -6.077 0.023 18.167) 19.157 29.587 ( -7.419 -0.308 -12.795) 14.794 31.234 ( 0.620 -1.002 -57.936) 57.948 95.502 ( 0.694 -1.102 19.115) 19.159 96.512 ( 2.360 0.356 -15.262) 15.447======================= Grid point 1065 (322/399) =======================q-point: (-0.50 0.21 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.562 ( -7.929 6.147 5.942) 11.660 2.909 ( -0.513 -7.108 -4.885) 8.640 3.310 ( -4.027 -2.046 5.783) 7.338 3.607 ( 0.600 -0.649 -3.436) 3.548 4.280 ( -6.086 -4.297 7.136) 10.316 4.415 ( -2.403 -7.439 5.517) 9.568 4.982 ( -6.939 -3.413 -1.117) 7.813 5.210 ( 1.721 3.831 -0.002) 4.200 5.385 ( 3.158 2.929 -3.024) 5.263 5.504 ( -13.407 -2.607 -13.706) 19.349 8.484 ( 12.110 5.205 7.955) 15.396 8.901 ( 14.171 3.031 -4.995) 15.328 27.793 ( 0.231 -1.298 54.905) 54.921 28.517 ( -7.599 0.115 16.999) 18.621 29.438 ( -9.204 -0.509 -12.755) 15.737 31.261 ( 1.184 -1.772 -58.618) 58.657 95.536 ( 1.770 -2.105 18.833) 19.033 96.556 ( 2.915 0.646 -16.148) 16.422======================= Grid point 1066 (323/399) =======================q-point: (-0.43 0.21 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.404 ( -5.341 3.816 10.828) 12.662 2.972 ( 0.894 -10.103 -7.122) 12.393 3.217 ( -6.787 1.097 9.272) 11.543 3.577 ( -4.761 -2.170 -1.178) 5.363 4.227 ( -4.412 -8.448 8.093) 12.503 4.416 ( -2.414 -3.742 8.401) 9.508 4.820 ( -11.691 -3.049 -2.753) 12.391 5.187 ( -6.341 0.797 -5.411) 8.373 5.295 ( -4.078 0.917 -5.678) 7.051 5.504 ( 6.930 -1.981 -4.065) 8.275 8.659 ( 11.684 6.987 9.032) 16.338 9.131 ( 14.066 4.809 -5.880) 15.986 27.814 ( 0.809 -2.040 54.396) 54.440 28.377 ( -7.577 0.182 15.831) 17.552 29.271 ( -9.533 -0.501 -12.709) 15.895 31.299 ( 1.357 -2.525 -59.452) 59.521 95.594 ( 2.550 -3.353 18.142) 18.625 96.605 ( 3.053 0.968 -16.841) 17.143======================= Grid point 1067 (324/399) =======================q-point: (-0.36 0.21 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.328 ( -1.437 -0.310 15.780) 15.849 3.036 ( -7.333 -1.240 10.672) 13.008 3.101 ( 0.530 -8.509 -6.088) 10.476 3.483 ( -7.831 -5.030 1.224) 9.388 4.233 ( -2.245 -9.059 8.553) 12.660 4.367 ( -4.476 -1.010 7.944) 9.174 4.658 ( -6.495 0.758 2.117) 6.873 4.983 ( -12.488 -1.005 -11.497) 17.004 5.315 ( 2.735 -0.038 -0.070) 2.737 5.652 ( 6.280 -5.501 -5.390) 9.937 8.798 ( 9.211 7.990 10.252) 15.930 9.326 ( 11.569 6.649 -6.894) 15.019 27.849 ( 1.246 -2.820 54.063) 54.151 28.250 ( -6.076 0.215 14.811) 16.010 29.111 ( -8.157 -0.241 -12.758) 15.145 31.342 ( 1.179 -3.114 -60.241) 60.333 95.670 ( 2.694 -4.749 16.951) 17.809 96.649 ( 2.622 1.320 -17.244) 17.492======================= Grid point 1068 (325/399) =======================q-point: (-0.29 0.21 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.360 ( 2.320 -5.955 19.509) 20.530 2.857 ( -8.596 2.951 17.358) 19.593 3.231 ( 3.091 -10.827 -6.041) 12.778 3.394 ( -6.487 -10.006 -1.025) 11.968 4.224 ( -3.427 -1.658 3.634) 5.263 4.331 ( -1.257 -5.986 8.830) 10.741 4.569 ( -1.489 5.553 11.230) 12.616 4.796 ( -8.278 -0.926 -11.115) 13.890 5.355 ( 1.583 0.473 -0.350) 1.689 5.798 ( 3.511 -10.586 -7.977) 13.712 8.872 ( 5.045 7.996 11.183) 14.644 9.441 ( 6.632 8.532 -7.821) 13.340 27.894 ( 1.112 -3.471 54.091) 54.213 28.162 ( -3.403 0.225 14.015) 14.424 28.991 ( -4.899 0.140 -12.969) 13.864 31.382 ( 0.702 -3.420 -60.771) 60.871 95.751 ( 1.864 -6.029 15.375) 16.620 96.677 ( 1.546 1.720 -17.213) 17.368======================= Grid point 1069 (326/399) =======================q-point: (-0.21 0.21 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 686Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.461 ( 0.000 -11.786 21.790) 24.774 2.737 ( -0.000 4.047 19.256) 19.677 3.298 ( 0.000 -3.061 5.278) 6.101 3.449 ( 0.000 -19.340 -12.385) 22.966 4.192 ( 0.000 -0.463 0.851) 0.969 4.341 ( -0.000 3.321 12.597) 13.028 4.525 ( -0.000 2.274 14.776) 14.950 4.726 ( 0.000 -1.350 -11.298) 11.378 5.360 ( -0.000 2.159 -0.197) 2.168 5.919 ( 0.000 -14.883 -10.654) 18.303 8.866 ( -0.000 6.999 11.363) 13.345 9.436 ( -0.000 10.416 -8.162) 13.233 27.931 ( 0.000 -3.675 54.267) 54.391 28.129 ( -0.000 0.220 13.619) 13.621 28.944 ( -0.000 0.329 -13.123) 13.127 31.413 ( 0.000 -3.385 -60.897) 60.991 95.814 ( 0.000 -6.727 13.879) 15.423 96.678 ( -0.000 2.137 -16.558) 16.695======================= Grid point 1076 (327/399) =======================q-point: ( 0.29 0.29 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 687Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.859 ( -1.962 0.000 3.887) 4.354 3.059 ( -7.433 0.000 -1.922) 7.677 3.284 ( -0.706 0.000 0.648) 0.958 3.423 ( 4.071 -0.000 -4.988) 6.438 4.420 ( -3.366 0.000 5.739) 6.653 4.477 ( -4.972 0.000 4.377) 6.624 4.990 ( 1.390 -0.000 -2.134) 2.547 5.087 ( 4.366 -0.000 -4.736) 6.441 5.556 ( -3.944 0.000 -3.125) 5.032 5.925 ( -9.492 0.000 -14.476) 17.311 8.157 ( 8.422 -0.000 6.976) 10.936 8.490 ( 9.106 -0.000 -3.455) 9.740 27.791 ( -0.754 0.000 55.757) 55.762 28.728 ( -3.239 0.000 19.058) 19.332 29.694 ( -4.541 0.000 -12.759) 13.543 31.223 ( -0.430 0.000 -57.512) 57.514 95.492 ( -0.601 0.000 19.142) 19.152 96.479 ( 1.593 -0.000 -14.363) 14.451======================= Grid point 1077 (328/399) =======================q-point: (-0.64 0.29 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.820 ( -3.131 1.327 0.890) 3.515 2.878 ( -8.945 1.281 -1.209) 9.117 3.279 ( -1.405 -3.267 2.142) 4.152 3.533 ( 6.073 -0.557 -6.355) 8.808 4.353 ( -4.822 -2.408 5.315) 7.570 4.371 ( -6.603 -0.017 5.199) 8.404 5.009 ( -0.221 -0.213 0.303) 0.431 5.177 ( 5.703 0.664 -2.821) 6.397 5.459 ( -5.736 0.458 -3.373) 6.670 5.728 ( -12.148 0.132 -12.551) 17.467 8.335 ( 11.456 1.127 6.862) 13.402 8.687 ( 12.620 0.377 -3.955) 13.230 27.780 ( -0.465 -0.239 55.425) 55.427 28.643 ( -6.041 -0.003 18.046) 19.031 29.584 ( -7.497 -0.097 -12.785) 14.822 31.224 ( 0.381 -0.361 -57.957) 57.960 95.492 ( 0.409 -0.386 19.236) 19.245 96.515 ( 2.436 0.120 -15.555) 15.745======================= Grid point 1078 (329/399) =======================q-point: (-0.57 0.29 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1276Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.652 ( -8.293 6.235 2.197) 10.605 2.827 ( -1.728 -4.520 -3.268) 5.839 3.270 ( -2.357 -3.111 4.753) 6.150 3.606 ( 1.022 0.225 -5.270) 5.373 4.238 ( -7.773 -1.587 5.305) 9.544 4.310 ( -3.484 -6.791 4.852) 9.044 4.946 ( -8.078 -1.637 0.089) 8.243 5.257 ( 2.848 2.578 -1.179) 4.019 5.401 ( 1.074 0.041 -1.817) 2.112 5.500 ( -11.798 0.887 -10.337) 15.711 8.543 ( 12.941 3.057 7.278) 15.158 8.929 ( 14.458 1.173 -4.449) 15.172 27.778 ( -0.045 -0.714 54.941) 54.946 28.518 ( -7.575 0.038 16.825) 18.451 29.433 ( -9.200 -0.251 -12.774) 15.744 31.241 ( 0.890 -0.992 -58.655) 58.670 95.513 ( 1.355 -1.126 19.141) 19.222 96.563 ( 2.991 0.318 -16.742) 17.010======================= Grid point 1079 (330/399) =======================q-point: (-0.50 0.29 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.478 ( -6.000 6.218 5.594) 10.294 2.849 ( -0.307 -7.280 -5.863) 9.353 3.221 ( -4.877 -0.376 8.042) 9.413 3.556 ( -6.408 -1.108 -0.979) 6.576 4.133 ( -5.590 -4.529 5.532) 9.075 4.328 ( -0.963 -8.307 4.386) 9.444 4.764 ( -12.750 -3.869 -2.614) 13.578 5.177 ( -11.585 -0.941 -10.120) 15.411 5.350 ( 0.689 5.633 1.506) 5.871 5.499 ( 6.664 -0.109 0.044) 6.665 8.746 ( 12.427 5.255 8.197) 15.787 9.179 ( 14.163 2.167 -5.034) 15.186 27.789 ( 0.451 -1.397 54.453) 54.473 28.379 ( -7.571 0.091 15.642) 17.378 29.265 ( -9.384 -0.299 -12.769) 15.849 31.269 ( 1.064 -1.768 -59.513) 59.549 95.555 ( 2.019 -2.176 18.775) 19.009 96.616 ( 3.102 0.543 -17.762) 18.039======================= Grid point 1080 (331/399) =======================q-point: (-0.43 0.29 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1276Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.359 ( -2.842 4.382 9.724) 11.038 2.918 ( 1.095 -10.001 -6.866) 12.180 3.095 ( -7.780 2.430 10.456) 13.257 3.423 ( -9.319 -3.932 3.256) 10.626 4.109 ( -2.000 -7.950 6.008) 10.164 4.341 ( -3.538 -2.950 5.189) 6.938 4.605 ( -7.590 -7.583 -3.352) 11.240 4.955 ( -12.696 -2.010 -12.564) 17.974 5.354 ( 3.098 5.796 5.299) 8.442 5.620 ( 5.903 -0.864 -0.385) 5.978 8.905 ( 9.737 7.171 9.426) 15.332 9.394 ( 11.504 3.316 -5.865) 13.332 27.814 ( 0.841 -2.224 54.149) 54.201 28.253 ( -6.077 0.141 14.654) 15.865 29.109 ( -7.884 -0.146 -12.853) 15.079 31.302 ( 0.944 -2.533 -60.339) 60.399 95.613 ( 2.127 -3.454 18.071) 18.521 96.664 ( 2.638 0.768 -18.475) 18.678======================= Grid point 1081 (332/399) =======================q-point: (-0.36 0.29 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.321 ( 0.256 0.248 13.613) 13.618 2.905 ( -6.793 3.610 15.580) 17.376 3.055 ( 2.149 -12.494 -9.867) 16.065 3.299 ( -7.480 -5.296 5.389) 10.632 4.158 ( 0.517 -8.123 5.986) 10.103 4.259 ( -5.364 -2.369 3.136) 6.650 4.586 ( -1.151 -4.686 2.990) 5.677 4.775 ( -8.199 -1.859 -12.160) 14.783 5.368 ( 1.812 3.156 4.322) 5.650 5.716 ( 3.409 -2.467 -2.059) 4.685 8.988 ( 5.290 8.364 10.608) 14.508 9.533 ( 6.554 4.738 -6.887) 10.622 27.848 ( 0.790 -3.053 54.166) 54.257 28.165 ( -3.397 0.189 13.934) 14.343 28.993 ( -4.647 0.149 -13.056) 13.859 31.336 ( 0.573 -3.135 -60.911) 60.994 95.675 ( 1.453 -4.763 17.076) 17.788 96.696 ( 1.553 1.020 -18.729) 18.821======================= Grid point 1082 (333/399) =======================q-point: (-0.29 0.29 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 687Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.347 ( 0.000 -4.598 16.712) 17.333 2.800 ( -0.000 4.970 18.009) 18.682 3.196 ( 0.000 -16.778 -12.262) 20.781 3.248 ( 0.000 -4.012 7.000) 8.068 4.186 ( 0.000 -0.416 0.459) 0.619 4.261 ( 0.000 -10.077 8.801) 13.379 4.590 ( -0.000 1.729 9.154) 9.316 4.706 ( 0.000 -1.377 -11.733) 11.814 5.372 ( -0.000 0.687 1.831) 1.955 5.775 ( 0.000 -5.670 -4.658) 7.338 8.977 ( -0.000 8.627 11.303) 14.219 9.554 ( -0.000 6.534 -7.706) 10.103 27.879 ( 0.000 -3.570 54.312) 54.429 28.132 ( -0.000 0.220 13.611) 13.612 28.948 ( -0.000 0.329 -13.180) 13.184 31.364 ( 0.000 -3.450 -61.068) 61.165 95.726 ( 0.000 -5.754 16.041) 17.042 96.702 ( -0.000 1.355 -18.338) 18.388======================= Grid point 1091 (334/399) =======================q-point: (-0.64 0.36 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 686Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.706 ( -8.971 0.000 -0.077) 8.972 2.790 ( -1.729 0.000 -1.917) 2.582 3.244 ( -1.448 0.000 4.526) 4.752 3.608 ( 1.214 -0.000 -6.317) 6.433 4.237 ( -6.670 0.000 4.784) 8.208 4.249 ( -5.939 0.000 4.925) 7.715 4.935 ( -8.494 0.000 0.583) 8.514 5.276 ( 3.301 -0.000 -2.333) 4.043 5.400 ( -0.157 0.000 -0.669) 0.688 5.508 ( -10.611 0.000 -9.237) 14.068 8.565 ( 13.266 -0.000 6.980) 14.990 8.936 ( 14.519 -0.000 -4.195) 15.113 27.773 ( -0.143 0.000 54.955) 54.955 28.518 ( -7.565 0.000 16.757) 18.385 29.431 ( -9.200 0.000 -12.777) 15.745 31.234 ( 0.784 -0.000 -58.668) 58.673 95.505 ( 1.214 -0.000 19.244) 19.283 96.565 ( 3.012 -0.000 -16.947) 17.213======================= Grid point 1093 (335/399) =======================q-point: (-0.57 0.36 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.553 ( -6.368 3.589 1.401) 7.442 2.775 ( -0.940 -3.027 -4.326) 5.363 3.213 ( -2.776 -0.528 7.541) 8.053 3.544 ( -8.242 -0.523 -1.020) 8.321 4.108 ( -6.280 0.597 4.191) 7.574 4.217 ( -0.387 -6.140 1.825) 6.417 4.728 ( -13.676 -1.241 -1.008) 13.769 5.170 ( -12.609 -0.181 -10.797) 16.602 5.423 ( 3.205 4.233 3.051) 6.124 5.486 ( 5.328 -1.805 1.800) 5.906 8.798 ( 12.925 1.993 7.528) 15.089 9.196 ( 14.105 0.526 -4.342) 14.768 27.776 ( 0.254 -0.496 54.481) 54.483 28.380 ( -7.562 0.026 15.525) 17.269 29.262 ( -9.306 -0.098 -12.795) 15.822 31.252 ( 0.900 -0.635 -59.544) 59.554 95.535 ( 1.753 -0.751 19.089) 19.184 96.620 ( 3.109 0.172 -18.237) 18.501======================= Grid point 1094 (336/399) =======================q-point: (-0.50 0.36 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.432 ( -3.586 5.186 3.880) 7.403 2.803 ( 0.560 -6.177 -6.519) 8.998 3.131 ( -5.906 2.495 10.505) 12.307 3.369 ( -11.190 -3.733 4.656) 12.682 4.029 ( -3.186 -3.393 4.023) 6.152 4.280 ( 1.106 -5.425 0.737) 5.586 4.506 ( -11.765 -4.986 -2.903) 13.103 4.939 ( -12.329 -0.518 -11.814) 17.084 5.448 ( 3.499 6.822 6.459) 10.025 5.602 ( 5.273 -2.103 2.731) 6.300 8.988 ( 10.225 4.379 8.413) 13.947 9.423 ( 11.311 1.035 -4.672) 12.282 27.790 ( 0.569 -1.222 54.182) 54.198 28.254 ( -6.065 0.068 14.533) 15.748 29.107 ( -7.708 -0.064 -12.909) 15.035 31.274 ( 0.778 -1.419 -60.397) 60.419 95.576 ( 1.792 -1.804 18.726) 18.898 96.671 ( 2.613 0.336 -19.225) 19.404======================= Grid point 1095 (337/399) =======================q-point: (-0.43 0.36 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.357 ( -0.980 4.368 6.986) 8.297 2.878 ( 1.716 -8.432 -6.615) 10.854 2.985 ( -6.268 3.784 11.277) 13.445 3.227 ( -7.618 -5.277 7.886) 12.168 4.043 ( 0.405 -7.232 4.546) 8.552 4.245 ( -5.669 -0.090 1.173) 5.790 4.459 ( -0.998 -11.277 -2.845) 11.673 4.757 ( -7.833 -0.816 -12.063) 14.406 5.448 ( 1.971 7.429 7.863) 10.996 5.692 ( 3.070 -1.834 1.972) 4.084 9.094 ( 5.579 6.526 9.449) 12.767 9.576 ( 6.386 1.732 -5.370) 8.522 27.812 ( 0.546 -2.076 54.162) 54.204 28.167 ( -3.379 0.126 13.867) 14.273 28.995 ( -4.466 0.114 -13.117) 13.857 31.298 ( 0.466 -2.197 -61.003) 61.045 95.621 ( 1.188 -3.010 18.171) 18.457 96.706 ( 1.521 0.490 -19.735) 19.799======================= Grid point 1096 (338/399) =======================q-point: (-0.36 0.36 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 686Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.330 ( -0.000 1.837 10.221) 10.385 2.873 ( -0.000 5.579 16.567) 17.481 2.990 ( 0.000 -12.799 -11.715) 17.351 3.187 ( 0.000 -4.830 8.856) 10.088 4.119 ( 0.000 -9.623 6.115) 11.402 4.181 ( 0.000 -0.297 0.156) 0.336 4.529 ( 0.000 -9.225 0.343) 9.231 4.689 ( 0.000 -1.125 -12.159) 12.211 5.418 ( -0.000 6.130 7.161) 9.426 5.733 ( 0.000 -1.737 0.286) 1.761 9.094 ( -0.000 7.911 10.299) 12.987 9.619 ( -0.000 2.954 -6.259) 6.921 27.834 ( 0.000 -2.794 54.267) 54.339 28.135 ( -0.000 0.176 13.603) 13.604 28.952 ( -0.000 0.264 -13.232) 13.235 31.320 ( 0.000 -2.810 -61.192) 61.257 95.657 ( 0.000 -4.106 17.548) 18.022 96.716 ( -0.000 0.703 -19.602) 19.615======================= Grid point 1107 (339/399) =======================q-point: (-0.57 0.43 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 687Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.474 ( -3.820 0.000 0.990) 3.946 2.757 ( 0.268 -0.000 -5.638) 5.644 3.152 ( -4.119 0.000 10.465) 11.247 3.337 ( -12.688 0.000 5.085) 13.669 4.008 ( -4.398 0.000 3.556) 5.656 4.231 ( 3.424 -0.000 -2.040) 3.985 4.474 ( -13.309 0.000 -1.133) 13.357 4.936 ( -12.273 0.000 -11.654) 16.924 5.513 ( 3.829 -0.000 5.590) 6.775 5.572 ( 4.936 -0.000 4.656) 6.785 9.019 ( 10.438 -0.000 7.942) 13.115 9.429 ( 11.200 -0.000 -4.128) 11.937 27.781 ( 0.474 -0.000 54.188) 54.190 28.255 ( -6.059 0.000 14.489) 15.704 29.107 ( -7.648 0.000 -12.926) 15.020 31.264 ( 0.719 -0.000 -60.416) 60.420 95.564 ( 1.683 -0.000 18.940) 19.014 96.673 ( 2.599 -0.000 -19.475) 19.648======================= Grid point 1109 (340/399) =======================q-point: (-0.50 0.43 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.416 ( -1.517 2.945 1.882) 3.810 2.787 ( 1.419 -3.789 -7.825) 8.809 3.050 ( -5.296 4.569 12.932) 14.703 3.154 ( -8.130 -4.829 9.152) 13.160 3.973 ( -0.497 -2.686 3.020) 4.072 4.256 ( -6.184 1.747 -0.274) 6.432 4.325 ( 0.228 -6.913 -3.192) 7.618 4.750 ( -7.925 -0.231 -12.054) 14.428 5.547 ( 2.200 5.608 7.412) 9.551 5.656 ( 2.795 -3.037 5.021) 6.500 9.160 ( 5.796 2.550 8.478) 10.582 9.588 ( 6.233 0.257 -4.176) 7.507 27.792 ( 0.417 -0.734 54.136) 54.142 28.168 ( -3.365 0.044 13.830) 14.233 28.996 ( -4.374 0.043 -13.149) 13.857 31.277 ( 0.406 -0.790 -61.048) 61.054 95.593 ( 1.059 -1.026 18.697) 18.755 96.711 ( 1.494 0.139 -20.232) 20.287======================= Grid point 1110 (341/399) =======================q-point: (-0.43 0.43 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 687Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.378 ( -0.000 4.096 3.998) 5.724 2.846 ( 0.000 -7.579 -10.536) 12.979 2.953 ( -0.000 5.816 15.075) 16.158 3.115 ( 0.000 -5.408 10.626) 11.923 4.008 ( 0.000 -5.903 3.480) 6.853 4.177 ( 0.000 -0.150 -0.020) 0.152 4.393 ( 0.000 -8.454 -2.539) 8.827 4.676 ( 0.000 -0.633 -12.474) 12.490 5.520 ( -0.000 7.469 8.417) 11.253 5.703 ( 0.000 -2.844 3.881) 4.811 9.186 ( -0.000 4.935 9.060) 10.317 9.642 ( -0.000 0.676 -4.667) 4.715 27.804 ( 0.000 -1.526 54.194) 54.215 28.137 ( -0.000 0.098 13.598) 13.598 28.955 ( -0.000 0.146 -13.268) 13.269 31.289 ( 0.000 -1.575 -61.264) 61.284 95.614 ( 0.000 -2.121 18.410) 18.532 96.723 ( -0.000 0.277 -20.344) 20.346======================= Grid point 1124 (342/399) =======================q-point: ( 0.50 -0.50 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 374Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.413 ( -0.000 0.000 1.035) 1.035 2.790 ( -0.000 0.000 -9.582) 9.582 3.023 ( -0.000 0.000 15.542) 15.542 3.048 ( 0.000 -0.000 10.257) 10.257 3.965 ( -0.000 0.000 2.316) 2.316 4.176 ( -0.000 0.000 -0.076) 0.076 4.330 ( -0.000 0.000 -2.721) 2.721 4.672 ( -0.000 0.000 -12.591) 12.591 5.590 ( -0.000 0.000 7.286) 7.286 5.668 ( -0.000 0.000 6.196) 6.196 9.222 ( -0.000 0.000 8.471) 8.471 9.646 ( -0.000 0.000 -3.943) 3.943 27.793 ( -0.000 0.000 54.160) 54.160 28.138 ( -0.000 0.000 13.596) 13.596 28.956 ( -0.000 0.000 -13.281) 13.281 31.278 ( -0.000 0.000 -61.287) 61.287 95.599 ( -0.000 0.000 18.688) 18.688 96.725 ( -0.000 0.000 -20.588) 20.588======================= Grid point 1218 (343/399) =======================q-point: ( 0.00 0.00 0.46)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 399Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.017 ( 0.000 0.000 16.819) 16.819 3.283 ( 0.000 0.000 -9.919) 9.919 3.500 ( 0.000 0.000 20.932) 20.932 3.848 ( 0.000 0.000 -13.536) 13.536 4.153 ( 0.000 0.000 11.855) 11.855 4.324 ( 0.000 0.000 9.803) 9.803 4.353 ( 0.000 0.000 -6.923) 6.923 4.540 ( 0.000 0.000 -11.667) 11.667 5.623 ( 0.000 0.000 20.698) 20.698 6.045 ( 0.000 0.000 -21.653) 21.653 8.917 ( 0.000 0.000 1.135) 1.135 8.926 ( 0.000 0.000 -0.097) 0.097 28.396 ( 0.000 0.000 14.291) 14.291 28.672 ( 0.000 0.000 -14.070) 14.070 29.125 ( 0.000 0.000 59.375) 59.375 30.304 ( 0.000 0.000 -61.766) 61.766 96.182 ( 0.000 0.000 9.379) 9.379 96.378 ( 0.000 0.000 -10.719) 10.719======================= Grid point 1219 (344/399) =======================q-point: ( 0.07 0.00 0.46)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.005 ( -1.335 0.437 16.726) 16.785 3.264 ( -1.925 0.594 -8.327) 8.567 3.472 ( 1.073 8.640 18.612) 20.547 3.812 ( -0.044 9.598 -15.071) 17.868 4.207 ( 2.847 -7.899 12.979) 15.458 4.359 ( 3.464 -3.897 4.137) 6.656 4.437 ( 5.605 -4.393 -0.889) 7.176 4.603 ( 6.740 0.194 -11.244) 13.111 5.587 ( -2.769 3.043 19.865) 20.286 6.000 ( -3.203 4.621 -21.487) 22.211 8.857 ( -5.437 0.513 2.884) 6.176 8.902 ( -5.557 -5.776 -1.766) 8.207 28.431 ( 3.827 -0.044 14.445) 14.943 28.700 ( 2.966 -0.050 -11.641) 12.013 29.129 ( 0.768 0.808 56.829) 56.840 30.296 ( -0.593 0.782 -61.575) 61.583 96.161 ( -1.942 0.966 10.115) 10.345 96.367 ( -1.194 -0.019 -11.126) 11.190======================= Grid point 1220 (345/399) =======================q-point: ( 0.14 0.00 0.46)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1276Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.956 ( -2.302 4.108 16.758) 17.407 3.211 ( -2.693 2.067 -7.433) 8.172 3.440 ( 1.530 7.045 14.763) 16.429 3.736 ( 0.004 10.496 -13.935) 17.446 4.343 ( 4.935 -9.277 11.526) 15.597 4.481 ( 4.293 -7.633 -0.496) 8.772 4.600 ( 10.626 -1.296 4.731) 11.703 4.763 ( 10.470 -0.289 -9.979) 14.467 5.486 ( -5.098 5.350 17.359) 18.867 5.870 ( -5.777 8.728 -21.039) 23.499 8.727 ( -9.430 -2.339 4.948) 10.903 8.810 ( -9.385 -7.238 -3.651) 12.402 28.529 ( 6.872 -0.043 14.862) 16.374 28.770 ( 4.471 -0.050 -2.263) 5.011 29.146 ( 2.164 1.441 47.119) 47.191 30.273 ( -1.120 1.413 -61.036) 61.062 96.104 ( -3.134 1.549 11.883) 12.386 96.337 ( -2.058 0.069 -12.103) 12.277======================= Grid point 1221 (346/399) =======================q-point: ( 0.21 0.00 0.46)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.882 ( -1.120 6.991 16.114) 17.601 3.141 ( -2.511 4.416 -9.820) 11.056 3.431 ( 1.004 2.181 13.470) 13.683 3.675 ( -0.351 6.180 -11.138) 12.742 4.493 ( 5.052 -6.794 8.545) 12.028 4.586 ( 2.065 -5.428 -0.233) 5.812 4.835 ( 13.840 -1.041 5.176) 14.813 4.958 ( 9.445 -1.539 -7.082) 11.905 5.340 ( -6.010 6.436 13.574) 16.180 5.687 ( -5.847 11.728 -20.701) 24.500 8.564 ( -10.858 -4.398 6.511) 13.403 8.676 ( -10.849 -7.582 -5.048) 14.166 28.670 ( 8.517 0.050 15.606) 17.779 28.848 ( 3.787 -0.011 17.085) 17.500 29.193 ( 4.380 1.747 27.132) 27.539 30.237 ( -1.538 1.778 -60.278) 60.323 96.033 ( -3.375 1.700 13.854) 14.360 96.295 ( -2.391 0.199 -13.216) 13.432======================= Grid point 1222 (347/399) =======================q-point: ( 0.29 0.00 0.46)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1276Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.832 ( 1.005 6.742 13.768) 15.363 3.065 ( -1.710 6.117 -10.031) 11.873 3.445 ( 0.654 -1.747 11.224) 11.377 3.634 ( -1.038 2.467 -8.195) 8.621 4.600 ( 2.022 -3.044 5.693) 6.765 4.634 ( 1.296 -1.457 2.065) 2.840 5.052 ( 3.904 -2.982 -0.268) 4.920 5.078 ( 1.043 -2.858 -2.982) 4.260 5.226 ( 2.663 7.036 11.990) 14.155 5.551 ( 1.630 11.603 -20.292) 23.432 8.408 ( -9.798 -5.059 7.333) 13.242 8.536 ( -10.034 -6.797 -5.764) 13.421 28.821 ( 7.609 0.495 19.951) 21.358 28.907 ( 3.168 -0.311 34.828) 34.973 29.276 ( 5.838 1.701 5.250) 8.033 30.194 ( -1.794 1.816 -59.574) 59.629 95.964 ( -2.906 1.534 15.466) 15.811 96.251 ( -2.208 0.277 -14.171) 14.345======================= Grid point 1223 (348/399) =======================q-point: ( 0.36 0.00 0.46)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.824 ( 2.429 4.715 9.862) 11.198 2.998 ( -1.224 5.685 -7.820) 9.745 3.476 ( 0.864 -3.214 7.834) 8.511 3.603 ( -1.206 0.650 -5.164) 5.342 4.594 ( -1.907 1.505 6.071) 6.539 4.657 ( -0.425 0.680 -0.329) 0.866 5.011 ( -4.716 -0.441 -1.189) 4.884 5.017 ( -5.773 -1.298 -1.624) 6.136 5.374 ( 10.988 1.944 6.268) 12.799 5.590 ( 7.582 6.318 -15.614) 18.471 8.288 ( -7.078 -4.277 7.461) 11.138 8.417 ( -7.538 -5.040 -5.832) 10.781 28.897 ( 1.913 0.827 45.496) 45.544 29.002 ( 6.343 -0.671 23.058) 23.924 29.367 ( 5.140 1.407 -8.047) 9.651 30.150 ( -1.744 1.506 -59.279) 59.324 95.910 ( -2.058 1.152 16.547) 16.714 96.214 ( -1.652 0.265 -14.855) 14.949======================= Grid point 1224 (349/399) =======================q-point: ( 0.43 0.00 0.46)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1276Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.848 ( 2.671 1.907 4.987) 5.970 2.940 ( -1.502 3.817 -4.366) 5.991 3.516 ( 1.101 -2.776 4.409) 5.325 3.580 ( -0.934 0.485 -2.107) 2.356 4.543 ( -1.863 1.765 4.898) 5.529 4.607 ( -3.089 1.823 -1.556) 3.910 4.948 ( -2.456 -0.698 -1.460) 2.941 4.953 ( -2.102 -0.786 -1.800) 2.877 5.522 ( 6.077 0.622 3.899) 7.247 5.678 ( 4.852 2.626 -12.032) 13.237 8.214 ( -3.621 -2.419 7.217) 8.429 8.339 ( -4.020 -2.652 -5.552) 7.350 28.912 ( 0.568 0.416 54.573) 54.577 29.104 ( 4.081 -0.377 21.009) 21.405 29.433 ( 2.877 0.837 -14.347) 14.656 30.115 ( -1.148 0.866 -59.494) 59.511 95.875 ( -1.054 0.618 17.140) 17.183 96.189 ( -0.876 0.161 -15.256) 15.282======================= Grid point 1225 (350/399) =======================q-point: (-0.50 0.00 0.46)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 650Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.887 ( 0.000 -0.000 0.300) 0.300 2.893 ( -0.000 0.000 -0.324) 0.324 3.544 ( 0.000 -0.000 2.039) 2.039 3.564 ( -0.000 0.000 0.159) 0.159 4.519 ( 0.000 -0.000 3.766) 3.766 4.565 ( 0.000 -0.000 -1.108) 1.108 4.929 ( 0.000 -0.000 -1.326) 1.326 4.940 ( 0.000 -0.000 -2.204) 2.204 5.576 ( 0.000 -0.000 3.213) 3.213 5.714 ( 0.000 -0.000 -10.913) 10.913 8.190 ( 0.000 -0.000 7.056) 7.056 8.311 ( 0.000 -0.000 -5.378) 5.378 28.916 ( 0.000 -0.000 56.616) 56.616 29.143 ( 0.000 -0.000 21.307) 21.307 29.456 ( 0.000 -0.000 -16.286) 16.286 30.101 ( 0.000 -0.000 -59.717) 59.717 95.864 ( 0.000 -0.000 17.325) 17.325 96.181 ( 0.000 -0.000 -15.387) 15.387======================= Grid point 1234 (351/399) =======================q-point: ( 0.07 0.07 0.46)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 686Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.983 ( -1.364 0.000 16.000) 16.058 3.225 ( -2.582 0.000 -6.772) 7.248 3.498 ( -1.092 0.000 16.310) 16.347 3.823 ( -2.431 0.000 -15.547) 15.736 4.269 ( 6.697 -0.000 11.400) 13.222 4.411 ( 4.848 -0.000 -1.671) 5.128 4.593 ( 11.688 -0.000 5.810) 13.052 4.762 ( 10.227 -0.000 -9.997) 14.302 5.526 ( -5.145 0.000 18.908) 19.596 5.934 ( -5.761 0.000 -21.997) 22.739 8.720 ( -10.154 0.000 1.937) 10.337 8.747 ( -8.435 0.000 -0.596) 8.456 28.529 ( 6.895 -0.000 14.845) 16.368 28.770 ( 4.490 -0.000 -2.478) 5.129 29.156 ( 2.096 -0.000 47.343) 47.389 30.283 ( -1.178 0.000 -61.010) 61.021 96.116 ( -3.267 0.000 11.317) 11.779 96.337 ( -2.032 0.000 -11.544) 11.721======================= Grid point 1235 (352/399) =======================q-point: ( 0.14 0.07 0.46)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.954 ( -0.734 2.921 14.716) 15.021 3.177 ( -2.238 1.025 -6.282) 6.747 3.458 ( -2.156 1.338 14.381) 14.603 3.749 ( -3.600 3.436 -14.052) 14.907 4.416 ( 7.407 -3.334 8.376) 11.668 4.513 ( 4.222 -3.588 -0.979) 5.627 4.827 ( 13.297 -0.264 4.755) 14.124 4.944 ( 8.976 -0.440 -7.044) 11.418 5.411 ( -5.979 2.930 16.878) 18.144 5.805 ( -6.124 4.572 -22.505) 23.768 8.526 ( -11.069 -1.071 4.254) 11.907 8.595 ( -9.787 -3.557 -2.648) 10.745 28.671 ( 8.617 0.024 15.402) 17.649 28.847 ( 3.764 -0.016 16.186) 16.618 29.210 ( 4.193 0.632 28.218) 28.535 30.254 ( -1.696 0.632 -60.218) 60.245 96.050 ( -3.633 0.630 13.098) 13.607 96.296 ( -2.369 0.050 -12.422) 12.646======================= Grid point 1236 (353/399) =======================q-point: ( 0.21 0.07 0.46)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.922 ( 0.629 5.627 13.003) 14.182 3.129 ( -1.667 2.848 -7.345) 8.052 3.420 ( -1.904 -1.560 13.073) 13.303 3.664 ( -3.631 1.743 -11.351) 12.045 4.555 ( 4.963 -2.757 5.002) 7.566 4.596 ( 2.267 -3.161 0.995) 4.015 5.024 ( 5.307 -1.142 0.010) 5.429 5.053 ( 1.466 -1.068 -2.917) 3.435 5.314 ( 0.875 4.952 15.254) 16.061 5.688 ( -1.038 7.372 -22.284) 23.494 8.353 ( -9.319 -2.734 6.052) 11.443 8.454 ( -8.716 -4.575 -4.262) 10.727 28.827 ( 8.357 0.395 17.294) 19.212 28.902 ( 2.409 -0.327 35.720) 35.802 29.295 ( 5.583 0.985 6.964) 8.980 30.214 ( -2.080 1.001 -59.460) 59.505 95.981 ( -3.243 0.879 14.776) 15.153 96.254 ( -2.221 0.129 -13.391) 13.575======================= Grid point 1237 (354/399) =======================q-point: ( 0.29 0.07 0.46)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.902 ( 1.754 6.218 10.228) 12.098 3.073 ( -1.611 4.773 -6.931) 8.568 3.417 ( -0.807 -4.771 10.305) 11.384 3.599 ( -3.255 -1.009 -8.053) 8.744 4.602 ( -0.499 -0.055 4.637) 4.664 4.648 ( 0.868 -1.604 -0.005) 1.824 5.007 ( -4.510 -0.091 -1.104) 4.644 5.010 ( -4.744 -0.083 -1.332) 4.928 5.409 ( 9.454 2.811 9.255) 13.526 5.680 ( 4.556 6.118 -18.177) 19.713 8.235 ( -5.965 -3.136 6.882) 9.633 8.351 ( -5.947 -4.187 -5.035) 8.846 28.910 ( 1.563 0.950 45.914) 45.951 28.990 ( 6.540 -0.935 20.994) 22.008 29.385 ( 4.844 1.084 -6.507) 8.184 30.168 ( -2.181 1.029 -59.105) 59.154 95.924 ( -2.450 0.816 16.042) 16.248 96.217 ( -1.714 0.166 -14.245) 14.349======================= Grid point 1238 (355/399) =======================q-point: ( 0.36 0.07 0.46)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.896 ( 1.737 4.863 6.270) 8.123 3.005 ( -2.073 5.225 -4.758) 7.365 3.451 ( 0.005 -6.228 6.541) 9.031 3.561 ( -2.628 -3.076 -4.536) 6.078 4.568 ( -2.026 1.611 4.400) 5.105 4.625 ( -3.190 0.789 -1.314) 3.539 4.942 ( -1.980 -0.252 -1.275) 2.369 4.947 ( -2.027 -0.249 -1.870) 2.769 5.538 ( 5.718 1.479 5.444) 8.033 5.724 ( 3.204 3.715 -13.638) 14.493 8.182 ( -2.077 -2.210 7.012) 7.639 8.300 ( -2.271 -2.701 -5.216) 6.297 28.919 ( 0.316 0.531 54.607) 54.610 29.096 ( 4.140 -0.699 19.760) 20.201 29.445 ( 2.481 0.903 -13.245) 13.505 30.125 ( -1.744 0.672 -59.336) 59.366 95.883 ( -1.493 0.505 16.871) 16.944 96.191 ( -0.981 0.120 -14.916) 14.949======================= Grid point 1239 (356/399) =======================q-point: ( 0.43 0.07 0.46)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.895 ( 0.747 2.015 1.793) 2.799 2.928 ( -2.774 4.103 -1.560) 5.193 3.496 ( 0.139 -5.927 3.156) 6.716 3.543 ( -2.024 -3.542 -1.423) 4.321 4.529 ( -0.877 1.248 3.423) 3.747 4.567 ( -1.644 0.304 -0.668) 1.801 4.929 ( 0.530 0.054 -1.237) 1.347 4.941 ( 0.824 0.111 -2.289) 2.435 5.582 ( -0.071 0.842 3.586) 3.684 5.726 ( -1.167 1.633 -11.157) 11.336 8.188 ( 1.743 -0.313 6.969) 7.190 8.307 ( 1.786 -0.536 -5.293) 5.611 28.917 ( -0.237 0.186 56.911) 56.912 29.140 ( 0.086 -0.504 20.705) 20.711 29.459 ( -0.506 0.362 -15.976) 15.989 30.100 ( -0.692 -0.032 -59.720) 59.724 95.864 ( -0.470 0.004 17.322) 17.328 96.181 ( -0.130 -0.005 -15.383) 15.383======================= Grid point 1240 (357/399) =======================q-point: (-0.50 0.07 0.46)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.844 ( -3.745 1.348 3.141) 5.070 2.904 ( 0.154 -1.251 -2.911) 3.172 3.519 ( -1.497 -2.535 2.231) 3.694 3.547 ( 0.135 -4.010 -0.644) 4.063 4.523 ( 0.509 -0.940 4.376) 4.505 4.575 ( 1.207 -2.660 -0.949) 3.071 4.959 ( 2.934 0.776 -0.990) 3.192 4.970 ( 3.176 1.447 -2.073) 4.059 5.522 ( -6.024 0.532 2.973) 6.739 5.656 ( -6.095 -0.467 -10.734) 12.352 8.246 ( 5.316 2.062 7.190) 9.177 8.371 ( 5.778 1.960 -5.655) 8.319 28.908 ( -0.781 -0.180 55.328) 55.334 29.105 ( -4.036 -0.189 21.202) 21.584 29.423 ( -3.368 -0.462 -15.167) 15.543 30.102 ( 0.489 -0.899 -59.672) 59.681 95.867 ( 0.577 -0.607 17.422) 17.442 96.187 ( 0.750 -0.172 -15.616) 15.635======================= Grid point 1241 (358/399) =======================q-point: (-0.43 0.07 0.46)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.777 ( -3.638 -1.836 8.118) 9.083 2.925 ( -0.058 -4.577 -6.866) 8.252 3.498 ( -1.707 -0.245 5.173) 5.452 3.579 ( 0.456 -2.770 -3.193) 4.252 4.557 ( 1.149 -3.722 6.077) 7.218 4.622 ( 0.511 -4.325 -0.532) 4.387 5.022 ( 4.929 1.033 -0.029) 5.036 5.045 ( 6.531 2.481 -2.106) 7.297 5.362 ( -11.116 0.408 3.406) 11.633 5.520 ( -10.091 -3.396 -12.552) 16.459 8.349 ( 8.482 4.358 7.685) 12.247 8.485 ( 9.177 4.528 -6.269) 12.001 28.888 ( -2.021 -0.494 46.841) 46.887 29.007 ( -6.391 0.077 23.743) 24.588 29.348 ( -5.550 -1.281 -9.944) 11.459 30.127 ( 1.201 -1.701 -59.497) 59.533 95.893 ( 1.594 -1.245 17.135) 17.254 96.210 ( 1.556 -0.324 -15.573) 15.654======================= Grid point 1242 (359/399) =======================q-point: (-0.36 0.07 0.46)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.747 ( -2.193 -5.106 12.747) 13.906 2.970 ( 0.735 -7.109 -10.125) 12.393 3.461 ( -2.320 0.487 8.469) 8.794 3.598 ( -0.481 -2.639 -5.634) 6.240 4.604 ( 0.708 -4.073 6.106) 7.374 4.631 ( -1.939 -1.307 2.888) 3.716 5.101 ( -1.389 3.019 0.474) 3.356 5.127 ( -6.072 -0.632 3.285) 6.932 5.151 ( 1.463 2.189 0.969) 2.806 5.391 ( -5.761 -10.266 -17.124) 20.780 8.487 ( 10.709 6.037 8.147) 14.748 8.633 ( 11.411 6.853 -6.807) 14.951 28.815 ( -6.999 -0.315 22.488) 23.554 28.909 ( -3.769 -0.065 35.135) 35.336 29.250 ( -6.234 -1.946 2.474) 6.983 30.165 ( 1.382 -2.289 -59.738) 59.797 95.940 ( 2.460 -1.836 16.376) 16.661 96.246 ( 2.155 -0.412 -15.210) 15.368======================= Grid point 1243 (360/399) =======================q-point: (-0.29 0.07 0.46)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.775 ( 0.434 -7.788 16.276) 18.048 3.052 ( 2.382 -8.141 -12.110) 14.785 3.407 ( -3.903 -1.131 11.595) 12.286 3.598 ( -2.327 -4.715 -7.962) 9.541 4.573 ( -3.359 3.484 7.278) 8.741 4.626 ( -0.484 -0.533 3.324) 3.401 4.851 ( -14.448 0.801 5.673) 15.543 4.988 ( -10.651 2.616 -7.295) 13.172 5.264 ( 6.272 -3.315 6.979) 9.951 5.507 ( 6.152 -12.711 -16.690) 21.862 8.643 ( 11.214 6.675 8.286) 15.458 8.791 ( 11.856 8.568 -7.001) 16.217 28.670 ( -8.369 -0.018 15.920) 17.986 28.847 ( -3.773 -0.101 19.125) 19.494 29.163 ( -4.743 -2.448 24.803) 25.371 30.206 ( 1.253 -2.588 -60.380) 60.449 96.004 ( 2.963 -2.317 15.074) 15.536 96.291 ( 2.385 -0.405 -14.508) 14.708======================= Grid point 1244 (361/399) =======================q-point: (-0.21 0.07 0.46)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.868 ( 3.312 -8.335 18.026) 20.134 3.159 ( 3.484 -5.976 -10.884) 12.897 3.343 ( -5.459 -5.792 13.432) 15.613 3.587 ( -3.885 -9.539 -10.713) 14.861 4.471 ( -3.683 6.877 10.431) 13.026 4.556 ( -7.961 2.816 4.549) 9.592 4.645 ( -4.264 4.421 1.807) 6.403 4.772 ( -11.020 1.024 -9.563) 14.627 5.400 ( 5.008 -5.784 12.592) 14.734 5.713 ( 5.967 -12.821 -18.082) 22.955 8.787 ( 9.418 6.094 7.917) 13.730 8.929 ( 9.985 9.383 -6.708) 15.256 28.530 ( -6.813 0.088 14.903) 16.387 28.771 ( -4.405 0.068 -1.551) 4.671 29.118 ( -2.363 -2.579 46.383) 46.514 30.245 ( 0.957 -2.558 -61.104) 61.165 96.075 ( 2.811 -2.594 13.304) 13.842 96.334 ( 2.090 -0.294 -13.512) 13.676======================= Grid point 1245 (362/399) =======================q-point: (-0.14 0.07 0.46)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.984 ( 3.861 -3.386 17.352) 18.096 3.238 ( 1.595 -4.298 -0.911) 4.674 3.312 ( -4.131 -10.631 9.301) 14.716 3.614 ( -2.528 -16.292 -14.434) 21.912 4.360 ( -2.870 6.551 11.548) 13.583 4.393 ( -5.059 6.579 9.720) 12.781 4.560 ( -1.078 9.797 -4.282) 10.746 4.599 ( -7.141 0.043 -10.658) 12.829 5.515 ( 2.726 -6.550 16.864) 18.296 5.883 ( 3.277 -11.437 -19.656) 22.976 8.886 ( 5.390 4.459 6.904) 9.829 9.009 ( 5.760 9.159 -5.801) 12.277 28.432 ( -3.805 0.123 14.452) 14.945 28.701 ( -2.937 0.138 -11.563) 11.931 29.107 ( -0.836 -2.258 56.765) 56.816 30.275 ( 0.533 -2.199 -61.623) 61.664 96.136 ( 1.784 -2.512 11.438) 11.846 96.366 ( 1.227 -0.119 -12.385) 12.446======================= Grid point 1246 (363/399) =======================q-point: (-0.07 0.07 0.46)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 686Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.023 ( -0.000 0.842 16.563) 16.584 3.283 ( -0.000 0.002 -9.565) 9.565 3.359 ( 0.000 -16.856 20.834) 26.799 3.714 ( 0.000 -16.646 -15.738) 22.908 4.265 ( -0.000 14.030 14.068) 19.868 4.320 ( 0.000 -0.620 9.696) 9.716 4.469 ( -0.000 12.399 -6.479) 13.990 4.535 ( 0.000 -0.733 -11.684) 11.707 5.582 ( 0.000 -5.464 19.254) 20.014 5.983 ( 0.000 -8.578 -20.768) 22.470 8.913 ( -0.000 2.136 5.175) 5.598 9.002 ( -0.000 7.904 -4.134) 8.920 28.396 ( -0.000 0.100 14.294) 14.295 28.673 ( -0.000 0.117 -14.079) 14.079 29.114 ( 0.000 -1.618 59.394) 59.416 30.293 ( 0.000 -1.567 -61.791) 61.811 96.168 ( 0.000 -1.937 10.160) 10.343 96.378 ( -0.000 0.011 -11.454) 11.454======================= Grid point 1249 (364/399) =======================q-point: ( 0.14 0.14 0.46)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 687Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.966 ( 0.821 -0.000 11.907) 11.936 3.146 ( -1.535 0.000 -4.669) 4.915 3.408 ( -3.244 0.000 13.180) 13.574 3.677 ( -5.094 0.000 -12.934) 13.901 4.535 ( 6.325 -0.000 4.423) 7.718 4.570 ( 2.938 -0.000 1.050) 3.120 5.017 ( 5.648 -0.000 0.100) 5.649 5.046 ( 1.655 -0.000 -2.867) 3.310 5.350 ( 0.148 -0.000 16.368) 16.369 5.741 ( -1.948 0.000 -22.991) 23.073 8.334 ( -9.274 0.000 5.300) 10.682 8.420 ( -8.062 0.000 -3.412) 8.754 28.830 ( 8.761 -0.000 15.961) 18.208 28.899 ( 1.998 -0.000 36.465) 36.520 29.302 ( 5.495 -0.000 7.532) 9.324 30.221 ( -2.182 0.000 -59.419) 59.459 95.988 ( -3.369 0.000 14.515) 14.901 96.255 ( -2.221 0.000 -13.099) 13.285======================= Grid point 1250 (365/399) =======================q-point: ( 0.21 0.14 0.46)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.979 ( 1.998 3.867 9.005) 10.002 3.117 ( -1.497 1.225 -3.472) 3.974 3.362 ( -2.360 -2.410 10.816) 11.329 3.583 ( -5.334 -0.856 -10.516) 11.823 4.601 ( 0.518 0.037 3.152) 3.194 4.626 ( 2.507 -1.167 0.683) 2.849 5.008 ( -4.100 0.105 -0.980) 4.217 5.009 ( -4.397 -0.022 -1.173) 4.551 5.440 ( 8.106 1.309 11.116) 13.820 5.743 ( 2.630 2.503 -19.572) 19.906 8.205 ( -5.390 -1.136 6.316) 8.381 8.308 ( -4.880 -1.679 -4.321) 6.731 28.921 ( 0.911 0.523 48.481) 48.492 28.979 ( 7.096 -0.533 17.545) 18.933 29.395 ( 4.692 0.405 -5.685) 7.382 30.178 ( -2.423 0.365 -59.008) 59.058 95.931 ( -2.675 0.295 15.746) 15.975 96.218 ( -1.740 0.055 -13.891) 14.000======================= Grid point 1251 (366/399) =======================q-point: ( 0.29 0.14 0.46)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1276Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.976 ( 1.396 6.298 6.286) 9.007 3.071 ( -1.830 3.407 -2.793) 4.771 3.361 ( -1.086 -5.790 7.156) 9.269 3.506 ( -4.932 -4.153 -6.954) 9.483 4.585 ( -1.680 0.811 3.719) 4.160 4.632 ( -2.086 0.287 -0.925) 2.300 4.941 ( -2.088 0.083 -1.230) 2.425 4.945 ( -2.172 -0.128 -1.710) 2.768 5.558 ( 5.183 1.244 6.873) 8.698 5.771 ( 1.734 2.670 -14.901) 15.238 8.156 ( -0.998 -1.325 6.701) 6.903 8.268 ( -0.923 -1.760 -4.803) 5.197 28.926 ( 0.084 0.393 55.217) 55.218 29.087 ( 4.212 -0.549 18.216) 18.705 29.456 ( 2.236 0.576 -12.388) 12.601 30.133 ( -2.159 0.364 -59.228) 59.268 95.889 ( -1.802 0.283 16.677) 16.776 96.192 ( -1.049 0.063 -14.672) 14.710======================= Grid point 1252 (367/399) =======================q-point: ( 0.36 0.14 0.46)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.942 ( -0.789 4.558 3.462) 5.778 2.998 ( -2.841 5.669 -2.319) 6.752 3.397 ( -0.159 -7.579 3.717) 8.443 3.469 ( -3.313 -6.604 -3.311) 8.096 4.546 ( -1.593 0.945 2.991) 3.519 4.575 ( -2.779 0.880 -0.096) 2.916 4.930 ( 0.882 0.006 -1.056) 1.376 4.943 ( 1.525 0.123 -2.449) 2.887 5.596 ( -0.207 1.079 4.386) 4.521 5.753 ( -2.162 1.984 -11.653) 12.016 8.183 ( 3.156 -0.382 6.760) 7.470 8.298 ( 3.252 -0.686 -5.089) 6.078 28.920 ( -0.433 0.246 57.647) 57.649 29.131 ( 0.139 -0.625 19.342) 19.353 29.465 ( -0.889 0.435 -15.343) 15.375 30.100 ( -1.248 -0.040 -59.725) 59.738 95.864 ( -0.848 0.005 17.314) 17.335 96.181 ( -0.234 -0.007 -15.373) 15.375======================= Grid point 1253 (368/399) =======================q-point: (-0.57 0.14 0.46)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1276Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.880 ( -4.178 3.250 1.619) 5.536 2.909 ( -2.411 2.188 -1.319) 3.513 3.450 ( -0.312 -6.712 1.406) 6.865 3.476 ( -0.461 -6.107 -1.208) 6.242 4.517 ( -1.408 -0.134 2.980) 3.299 4.539 ( -1.529 -2.224 0.405) 2.729 4.969 ( 3.494 0.635 -0.204) 3.557 4.990 ( 4.325 1.368 -2.455) 5.158 5.535 ( -5.721 1.150 2.869) 6.503 5.662 ( -6.806 1.040 -10.078) 12.205 8.270 ( 6.842 1.423 6.963) 9.866 8.392 ( 7.254 1.105 -5.540) 9.194 28.907 ( -0.928 0.032 56.719) 56.727 29.100 ( -4.019 -0.582 20.146) 20.551 29.420 ( -3.837 -0.081 -15.378) 15.849 30.091 ( -0.104 -0.748 -59.839) 59.844 95.859 ( 0.156 -0.480 17.664) 17.671 96.185 ( 0.630 -0.146 -15.925) 15.938======================= Grid point 1254 (369/399) =======================q-point: (-0.50 0.14 0.46)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.774 ( -5.049 1.223 5.462) 7.538 2.874 ( -1.968 -2.623 -4.752) 5.774 3.468 ( -1.330 -3.942 3.440) 5.398 3.528 ( 1.183 -4.309 -2.831) 5.290 4.501 ( -1.795 -3.969 4.448) 6.226 4.547 ( -1.064 -6.031 -0.183) 6.127 5.037 ( 4.491 1.059 1.742) 4.932 5.080 ( 6.769 2.362 -2.358) 7.547 5.382 ( -9.527 2.121 1.641) 9.897 5.497 ( -10.932 -0.106 -10.046) 14.847 8.405 ( 9.878 3.616 7.514) 12.927 8.539 ( 10.576 3.287 -6.272) 12.728 28.884 ( -1.959 -0.110 49.465) 49.504 29.004 ( -6.572 -0.540 22.882) 23.813 29.333 ( -6.003 -0.844 -11.571) 13.063 30.104 ( 0.660 -1.562 -59.719) 59.743 95.876 ( 1.151 -1.095 17.682) 17.753 96.205 ( 1.442 -0.317 -16.247) 16.314======================= Grid point 1255 (370/399) =======================q-point: (-0.43 0.14 0.46)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1276Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.695 ( -3.762 -2.243 10.120) 11.027 2.877 ( -1.003 -6.137 -8.424) 10.471 3.455 ( -2.420 -1.465 6.403) 7.000 3.561 ( -0.461 -2.642 -4.515) 5.252 4.510 ( -1.937 -8.346 6.390) 10.688 4.576 ( -0.937 -6.762 0.396) 6.838 5.065 ( -7.652 -3.420 5.391) 9.965 5.162 ( 2.513 2.806 -0.058) 3.767 5.236 ( -0.245 6.589 -3.630) 7.527 5.297 ( -7.476 -2.210 -11.329) 13.752 8.570 ( 11.772 5.670 8.281) 15.469 8.720 ( 12.598 5.560 -7.119) 15.502 28.813 ( -6.637 0.054 24.461) 25.345 28.904 ( -4.090 -0.668 36.603) 36.837 29.224 ( -6.711 -1.683 -0.896) 6.977 30.133 ( 0.926 -2.317 -59.917) 59.969 95.915 ( 2.007 -1.765 17.285) 17.490 96.240 ( 2.063 -0.472 -16.263) 16.400======================= Grid point 1256 (371/399) =======================q-point: (-0.36 0.14 0.46)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.678 ( -1.166 -5.939 14.331) 15.557 2.928 ( 0.962 -9.126 -11.460) 14.682 3.397 ( -4.828 -0.531 9.400) 10.581 3.546 ( -3.252 -2.797 -5.906) 7.299 4.538 ( -2.106 -8.813 7.585) 11.817 4.594 ( -1.421 -3.603 3.659) 5.328 4.847 ( -13.946 -1.455 4.082) 14.604 5.009 ( -13.570 -0.652 -10.232) 17.008 5.259 ( 6.130 2.371 3.602) 7.495 5.392 ( 7.991 -2.228 -9.414) 12.548 8.741 ( 11.849 7.140 9.026) 16.519 8.905 ( 12.706 7.584 -7.873) 16.761 28.670 ( -8.251 0.080 16.173) 18.157 28.844 ( -3.638 -0.349 22.608) 22.902 29.128 ( -5.251 -2.559 21.081) 21.875 30.168 ( 0.898 -2.899 -60.501) 60.577 95.971 ( 2.517 -2.423 16.397) 16.765 96.284 ( 2.325 -0.569 -15.926) 16.105======================= Grid point 1257 (372/399) =======================q-point: (-0.29 0.14 0.46)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1276Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.740 ( 2.202 -9.367 17.395) 19.879 3.038 ( 3.364 -10.889 -13.265) 17.488 3.293 ( -7.216 -1.611 12.383) 14.422 3.489 ( -5.788 -4.773 -7.506) 10.612 4.506 ( -7.528 -0.908 9.241) 11.954 4.561 ( -4.026 -3.606 5.790) 7.920 4.681 ( -3.190 0.342 1.288) 3.457 4.783 ( -11.283 -0.327 -9.479) 14.740 5.354 ( 4.897 -0.400 7.147) 8.673 5.559 ( 6.461 -7.452 -12.693) 16.075 8.886 ( 9.688 7.752 9.512) 15.634 9.059 ( 10.470 9.079 -8.366) 16.188 28.532 ( -6.743 0.134 14.941) 16.393 28.772 ( -4.271 0.029 -0.145) 4.274 29.077 ( -2.676 -3.169 44.943) 45.134 30.204 ( 0.721 -3.214 -61.190) 61.279 96.035 ( 2.427 -2.979 15.038) 15.521 96.328 ( 2.069 -0.572 -15.240) 15.390======================= Grid point 1258 (373/399) =======================q-point: (-0.21 0.14 0.46)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.883 ( 5.470 -11.145 18.719) 22.462 3.161 ( -5.049 -3.746 10.015) 11.825 3.200 ( 2.016 -9.313 -7.365) 12.043 3.419 ( -6.670 -9.690 -10.489) 15.761 4.363 ( -6.773 -1.127 9.172) 11.457 4.513 ( -1.061 3.557 3.212) 4.908 4.609 ( -6.878 1.751 -4.955) 8.656 4.659 ( -0.155 3.663 -0.009) 3.666 5.437 ( 2.667 -3.547 11.272) 12.115 5.715 ( 3.456 -11.104 -15.773) 19.597 8.972 ( 5.459 7.438 9.459) 13.213 9.144 ( 5.952 9.894 -8.359) 14.254 28.434 ( -3.769 0.182 14.464) 14.948 28.703 ( -2.879 0.194 -11.378) 11.738 29.068 ( -0.960 -3.249 56.588) 56.690 30.237 ( 0.425 -3.197 -61.697) 61.781 96.094 ( 1.558 -3.281 13.432) 13.914 96.362 ( 1.237 -0.461 -14.279) 14.340======================= Grid point 1259 (374/399) =======================q-point: (-0.14 0.14 0.46)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 687Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.040 ( -0.000 1.611 15.798) 15.880 3.102 ( 0.000 -18.933 20.274) 27.739 3.283 ( 0.000 -0.067 -8.505) 8.506 3.452 ( 0.000 -19.864 -15.977) 25.492 4.308 ( 0.000 -1.116 9.378) 9.444 4.466 ( -0.000 12.851 12.155) 17.688 4.520 ( 0.000 -1.345 -11.732) 11.809 4.619 ( -0.000 7.821 -2.740) 8.287 5.495 ( 0.000 -5.937 14.813) 15.958 5.829 ( 0.000 -12.339 -18.037) 21.854 8.974 ( -0.000 6.287 8.597) 10.650 9.129 ( -0.000 9.953 -7.542) 12.488 28.398 ( -0.000 0.180 14.304) 14.305 28.675 ( -0.000 0.210 -14.103) 14.105 29.082 ( 0.000 -2.907 59.438) 59.509 30.262 ( 0.000 -2.836 -61.856) 61.921 96.132 ( 0.000 -3.150 12.047) 12.452 96.376 ( 0.000 -0.272 -13.222) 13.225======================= Grid point 1264 (375/399) =======================q-point: ( 0.21 0.21 0.46)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 686Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.040 ( 2.739 -0.000 4.302) 5.101 3.084 ( -2.624 0.000 1.895) 3.237 3.317 ( -1.475 0.000 5.738) 5.925 3.471 ( -6.423 0.000 -8.218) 10.430 4.590 ( -1.532 0.000 3.458) 3.782 4.634 ( -1.421 0.000 -0.785) 1.623 4.942 ( -1.996 0.000 -1.442) 2.462 4.943 ( -2.474 0.000 -1.418) 2.851 5.568 ( 4.927 -0.000 7.447) 8.930 5.791 ( 1.142 -0.000 -15.369) 15.412 8.147 ( -0.614 0.000 6.545) 6.573 8.256 ( -0.403 0.000 -4.607) 4.625 28.929 ( -0.018 0.000 55.620) 55.620 29.083 ( 4.252 -0.000 17.474) 17.984 29.460 ( 2.155 -0.000 -12.077) 12.267 30.135 ( -2.307 0.000 -59.189) 59.234 95.891 ( -1.914 0.000 16.606) 16.716 96.193 ( -1.072 0.000 -14.583) 14.623======================= Grid point 1265 (376/399) =======================q-point: ( 0.29 0.21 0.46)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.008 ( -3.126 3.896 4.678) 6.844 3.065 ( -1.009 2.831 -1.384) 3.309 3.312 ( -0.380 -3.573 2.319) 4.276 3.381 ( -4.380 -4.847 -4.354) 7.851 4.553 ( -2.269 0.236 3.096) 3.845 4.587 ( -3.036 0.545 -0.151) 3.088 4.929 ( 1.025 -0.012 -0.936) 1.388 4.944 ( 1.951 0.045 -2.541) 3.204 5.608 ( -0.333 0.489 4.994) 5.029 5.774 ( -2.756 0.866 -12.006) 12.348 8.179 ( 3.949 -0.167 6.578) 7.674 8.291 ( 4.092 -0.312 -4.912) 6.401 28.923 ( -0.546 0.115 58.325) 58.327 29.124 ( 0.160 -0.278 18.216) 18.219 29.469 ( -1.087 0.188 -14.888) 14.929 30.099 ( -1.558 -0.018 -59.730) 59.751 95.864 ( -1.058 0.002 17.308) 17.341 96.180 ( -0.291 -0.003 -15.366) 15.369======================= Grid point 1266 (377/399) =======================q-point: (-0.64 0.21 0.46)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.919 ( -4.227 2.336 2.771) 5.568 2.966 ( -5.786 4.941 -2.064) 7.883 3.354 ( 0.409 -6.390 1.171) 6.510 3.388 ( 0.837 -5.779 -2.418) 6.320 4.509 ( -2.879 -1.022 2.393) 3.881 4.524 ( -3.726 0.025 0.915) 3.837 4.976 ( 3.953 0.331 0.410) 3.988 5.005 ( 5.030 0.775 -2.728) 5.774 5.550 ( -5.450 0.899 3.168) 6.368 5.678 ( -7.137 1.052 -9.872) 12.227 8.285 ( 7.909 0.713 6.686) 10.381 8.403 ( 8.236 0.435 -5.341) 9.826 28.908 ( -1.000 0.096 58.230) 58.239 29.091 ( -4.037 -0.497 18.563) 19.004 29.420 ( -4.162 0.065 -15.214) 15.773 30.082 ( -0.514 -0.426 -59.962) 59.965 95.854 ( -0.132 -0.263 17.824) 17.827 96.183 ( 0.543 -0.084 -16.132) 16.141======================= Grid point 1267 (378/399) =======================q-point: (-0.57 0.21 0.46)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.806 ( -6.370 3.028 2.492) 7.480 2.852 ( -4.275 -0.705 -2.193) 4.856 3.398 ( -0.032 -5.571 3.061) 6.356 3.466 ( 2.811 -4.377 -3.940) 6.526 4.454 ( -4.896 -2.697 2.461) 6.107 4.470 ( -3.373 -4.535 0.977) 5.736 5.049 ( 3.669 0.612 3.021) 4.792 5.107 ( 6.666 1.521 -2.725) 7.361 5.413 ( -7.733 2.096 1.168) 8.097 5.508 ( -10.542 1.296 -8.584) 13.656 8.447 ( 11.002 2.367 7.121) 13.318 8.575 ( 11.575 1.874 -6.004) 13.174 28.884 ( -1.742 0.160 53.096) 53.125 28.994 ( -6.869 -0.779 20.294) 21.439 29.324 ( -6.388 -0.393 -12.499) 14.042 30.086 ( 0.228 -1.099 -59.904) 59.914 95.863 ( 0.809 -0.744 18.094) 18.127 96.201 ( 1.340 -0.231 -16.760) 16.815======================= Grid point 1268 (379/399) =======================q-point: (-0.50 0.21 0.46)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.684 ( -5.343 0.482 6.465) 8.401 2.804 ( -2.873 -4.179 -5.837) 7.732 3.422 ( -1.135 -3.162 5.662) 6.584 3.525 ( 0.686 -2.474 -4.912) 5.543 4.396 ( -4.981 -7.366 4.991) 10.197 4.461 ( -2.618 -8.856 -0.977) 9.287 5.030 ( -8.477 -1.729 5.880) 10.460 5.172 ( -3.000 -0.483 -6.287) 6.982 5.311 ( -2.834 4.667 -2.563) 6.032 5.333 ( 1.851 4.935 -3.099) 6.114 8.640 ( 12.746 4.337 7.901) 15.611 8.784 ( 13.478 3.687 -6.858) 15.565 28.817 ( -6.558 0.522 25.496) 26.331 28.890 ( -4.113 -1.235 38.669) 38.906 29.205 ( -7.166 -1.106 -3.933) 8.249 30.103 ( 0.516 -1.881 -60.081) 60.112 95.893 ( 1.629 -1.372 18.029) 18.154 96.234 ( 1.959 -0.414 -17.136) 17.253======================= Grid point 1269 (380/399) =======================q-point: (-0.43 0.21 0.46)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.616 ( -2.948 -2.881 10.698) 11.465 2.810 ( -0.893 -7.591 -9.257) 12.005 3.389 ( -4.134 -0.667 8.020) 9.047 3.517 ( -3.111 -1.527 -4.987) 6.072 4.387 ( -3.385 -11.609 7.958) 14.476 4.495 ( -1.429 -10.319 -1.513) 10.527 4.819 ( -13.953 -2.146 4.281) 14.752 4.980 ( -14.405 -2.123 -11.211) 18.376 5.326 ( 6.000 6.500 4.584) 9.963 5.421 ( 7.913 4.331 -4.761) 10.200 8.834 ( 12.541 6.165 8.875) 16.555 8.997 ( 13.342 5.562 -7.792) 16.421 28.672 ( -8.237 0.204 16.159) 18.138 28.837 ( -3.331 -0.644 27.410) 27.619 29.095 ( -5.832 -2.087 16.298) 17.435 30.129 ( 0.543 -2.637 -60.615) 60.675 95.939 ( 2.124 -2.077 17.551) 17.801 96.275 ( 2.228 -0.593 -17.179) 17.333======================= Grid point 1270 (381/399) =======================q-point: (-0.36 0.21 0.46)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.624 ( 0.135 -6.953 14.417) 16.006 2.881 ( 1.523 -11.058 -12.018) 16.403 3.287 ( -6.896 0.384 10.540) 12.601 3.444 ( -5.947 -2.027 -5.310) 8.226 4.422 ( -2.818 -11.407 10.025) 15.446 4.497 ( -6.014 -4.306 4.858) 8.849 4.647 ( -5.009 -5.698 -2.100) 7.872 4.749 ( -12.449 -3.144 -11.459) 17.210 5.388 ( 4.970 5.008 6.624) 9.678 5.529 ( 6.407 2.158 -7.220) 9.892 8.994 ( 10.074 7.511 9.823) 15.949 9.174 ( 10.832 7.241 -8.682) 15.657 28.534 ( -6.695 0.172 14.935) 16.368 28.772 ( -4.039 -0.076 2.226) 4.612 29.033 ( -3.079 -3.084 42.558) 42.781 30.158 ( 0.459 -3.240 -61.271) 61.358 95.995 ( 2.071 -2.772 16.650) 17.006 96.319 ( 1.995 -0.726 -16.860) 16.993======================= Grid point 1271 (382/399) =======================q-point: (-0.29 0.21 0.46)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.716 ( 2.710 -11.543 17.017) 20.740 3.015 ( 3.425 -14.355 -13.809) 20.211 3.154 ( -6.736 0.789 13.046) 14.704 3.346 ( -6.172 -2.455 -6.227) 9.105 4.343 ( -6.683 -1.812 8.805) 11.201 4.492 ( -0.767 -5.938 2.669) 6.555 4.587 ( -6.519 -4.014 -4.517) 8.889 4.665 ( -0.511 -4.203 -2.787) 5.069 5.431 ( 2.670 2.582 8.023) 8.841 5.619 ( 3.535 -2.051 -10.192) 10.981 9.083 ( 5.606 8.191 10.440) 14.405 9.274 ( 6.101 8.589 -9.296) 14.050 28.437 ( -3.733 0.209 14.472) 14.947 28.706 ( -2.790 0.201 -11.027) 11.377 29.020 ( -1.125 -3.585 56.222) 56.347 30.189 ( 0.290 -3.574 -61.769) 61.873 96.048 ( 1.334 -3.317 15.451) 15.859 96.354 ( 1.204 -0.757 -16.200) 16.262======================= Grid point 1272 (383/399) =======================q-point: (-0.21 0.21 0.46)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 686Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.854 ( 0.000 -16.228 18.597) 24.682 3.067 ( -0.000 2.235 14.533) 14.704 3.181 ( 0.000 -18.623 -15.276) 24.087 3.281 ( 0.000 -0.265 -6.761) 6.766 4.290 ( 0.000 -1.388 8.865) 8.973 4.499 ( 0.000 -1.729 -11.801) 11.927 4.560 ( 0.000 -1.323 9.751) 9.841 4.675 ( -0.000 0.566 -0.290) 0.636 5.447 ( 0.000 -0.426 9.567) 9.576 5.683 ( 0.000 -7.123 -13.195) 14.995 9.077 ( -0.000 8.160 10.380) 13.203 9.267 ( -0.000 9.524 -9.275) 13.294 28.401 ( -0.000 0.224 14.318) 14.320 28.678 ( -0.000 0.262 -14.138) 14.141 29.036 ( 0.000 -3.612 59.472) 59.582 30.217 ( 0.000 -3.561 -61.931) 62.033 96.085 ( 0.000 -3.532 14.247) 14.679 96.370 ( 0.000 -0.652 -15.277) 15.291======================= Grid point 1279 (384/399) =======================q-point: ( 0.29 0.29 0.46)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 687Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.938 ( -5.274 0.000 4.039) 6.642 3.009 ( -7.020 0.000 -3.198) 7.714 3.301 ( 0.686 -0.000 1.347) 1.511 3.343 ( 2.359 -0.000 -3.114) 3.906 4.501 ( -3.709 0.000 2.766) 4.626 4.525 ( -4.234 0.000 0.504) 4.264 4.978 ( 4.123 -0.000 0.634) 4.171 5.011 ( 5.260 -0.000 -2.828) 5.972 5.556 ( -5.351 0.000 3.337) 6.306 5.686 ( -7.234 0.000 -9.835) 12.208 8.290 ( 8.293 -0.000 6.560) 10.574 8.406 ( 8.580 -0.000 -5.245) 10.056 28.909 ( -1.018 0.000 58.926) 58.935 29.088 ( -4.053 0.000 17.788) 18.244 29.421 ( -4.276 0.000 -15.100) 15.694 30.079 ( -0.660 0.000 -60.007) 60.011 95.852 ( -0.234 0.000 17.880) 17.882 96.182 ( 0.512 -0.000 -16.204) 16.212======================= Grid point 1280 (385/399) =======================q-point: (-0.64 0.29 0.46)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.837 ( -5.613 0.743 0.883) 5.730 2.856 ( -7.996 1.179 -1.048) 8.151 3.333 ( 1.369 -2.925 3.593) 4.831 3.419 ( 4.259 -1.946 -5.214) 7.008 4.422 ( -5.631 -1.559 2.088) 6.204 4.433 ( -5.982 -0.951 1.116) 6.159 5.054 ( 3.138 0.189 3.593) 4.774 5.121 ( 6.510 0.507 -3.037) 7.201 5.434 ( -6.771 0.840 1.261) 6.939 5.523 ( -10.019 0.684 -7.976) 12.824 8.469 ( 11.635 0.825 6.798) 13.501 8.592 ( 12.089 0.590 -5.748) 13.399 28.887 ( -1.478 0.126 56.436) 56.455 28.985 ( -7.176 -0.381 17.354) 18.783 29.321 ( -6.605 -0.101 -12.830) 14.431 30.075 ( -0.011 -0.396 -60.010) 60.012 95.856 ( 0.623 -0.263 18.313) 18.326 96.199 ( 1.280 -0.085 -17.035) 17.083======================= Grid point 1281 (386/399) =======================q-point: (-0.57 0.29 0.46)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1276Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.701 ( -6.692 1.534 2.809) 7.418 2.761 ( -4.299 -2.084 -3.365) 5.843 3.376 ( 0.643 -2.927 6.029) 6.733 3.495 ( 2.108 -1.720 -6.057) 6.640 4.318 ( -7.064 -3.605 3.110) 8.518 4.353 ( -5.296 -6.013 -0.165) 8.014 5.014 ( -8.925 -0.650 6.393) 10.997 5.165 ( -5.543 -0.282 -8.042) 9.772 5.369 ( 0.993 3.301 -0.404) 3.471 5.388 ( 1.733 2.679 -2.088) 3.813 8.687 ( 13.437 2.357 7.373) 15.507 8.822 ( 14.002 1.768 -6.400) 15.497 28.827 ( -7.008 0.922 24.062) 25.079 28.871 ( -3.623 -1.414 42.063) 42.242 29.193 ( -7.485 -0.508 -5.848) 9.512 30.082 ( 0.234 -1.053 -60.196) 60.206 95.878 ( 1.381 -0.746 18.508) 18.575 96.229 ( 1.878 -0.241 -17.704) 17.805======================= Grid point 1282 (387/399) =======================q-point: (-0.50 0.29 0.46)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.595 ( -4.411 -0.343 6.404) 7.783 2.723 ( -2.432 -4.819 -6.732) 8.628 3.378 ( -2.368 -0.837 7.627) 8.030 3.501 ( -2.653 -0.905 -4.727) 5.496 4.244 ( -5.158 -8.142 5.747) 11.221 4.338 ( -2.798 -11.030 -3.099) 11.793 4.796 ( -14.167 -1.103 5.820) 15.355 4.962 ( -13.986 -0.693 -10.586) 17.554 5.416 ( 6.129 5.892 3.846) 9.332 5.478 ( 7.458 3.278 -2.263) 8.455 8.907 ( 13.129 4.179 8.236) 16.052 9.058 ( 13.741 3.233 -7.183) 15.839 28.676 ( -8.352 0.258 15.748) 17.827 28.827 ( -2.912 -0.720 32.381) 32.520 29.071 ( -6.347 -1.275 11.732) 13.400 30.097 ( 0.260 -1.839 -60.703) 60.731 95.915 ( 1.838 -1.388 18.380) 18.524 96.268 ( 2.133 -0.446 -18.090) 18.221======================= Grid point 1283 (388/399) =======================q-point: (-0.43 0.29 0.46)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1276Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.552 ( -1.685 -3.382 10.035) 10.723 2.744 ( -0.211 -8.256 -9.732) 12.764 3.299 ( -5.884 1.223 9.098) 10.903 3.424 ( -6.014 -1.115 -3.406) 7.001 4.252 ( -1.949 -11.773 8.369) 14.575 4.390 ( -1.478 -11.314 -3.222) 11.856 4.568 ( -11.263 -3.659 3.286) 12.290 4.724 ( -12.404 -0.951 -10.798) 16.473 5.476 ( 5.096 6.854 6.355) 10.646 5.578 ( 6.100 3.813 -3.878) 8.172 9.088 ( 10.467 5.894 9.252) 15.162 9.257 ( 11.056 4.750 -8.077) 14.493 28.536 ( -6.689 0.176 14.855) 16.293 28.770 ( -3.710 -0.193 5.568) 6.694 28.994 ( -3.527 -2.368 39.257) 39.486 30.117 ( 0.224 -2.618 -61.332) 61.388 95.961 ( 1.794 -2.107 17.896) 18.108 96.309 ( 1.903 -0.662 -18.126) 18.238======================= Grid point 1284 (389/399) =======================q-point: (-0.36 0.29 0.46)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.582 ( 0.586 -7.515 13.178) 15.181 2.828 ( 1.401 -12.058 -12.180) 17.196 3.176 ( -5.591 2.073 11.130) 12.626 3.323 ( -5.361 -1.255 -3.489) 6.519 4.299 ( -2.955 -6.306 8.904) 11.304 4.373 ( -2.623 -7.746 6.949) 10.732 4.527 ( -3.918 -9.800 -8.904) 13.808 4.556 ( -4.835 -4.798 -8.018) 10.521 5.500 ( 2.755 6.703 7.943) 10.752 5.639 ( 3.371 3.494 -5.855) 7.606 9.191 ( 5.786 7.217 10.177) 13.753 9.378 ( 6.192 6.202 -8.943) 12.522 28.440 ( -3.710 0.197 14.468) 14.937 28.709 ( -2.668 0.158 -10.444) 10.780 28.972 ( -1.310 -3.203 55.601) 55.708 30.141 ( 0.154 -3.243 -61.822) 61.907 96.005 ( 1.149 -2.777 17.118) 17.380 96.342 ( 1.147 -0.825 -17.795) 17.851======================= Grid point 1285 (390/399) =======================q-point: (-0.29 0.29 0.46)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 687Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.660 ( 0.000 -11.460 15.467) 19.250 2.943 ( 0.000 -15.379 -13.802) 20.665 3.101 ( -0.000 2.648 12.780) 13.052 3.275 ( 0.000 -0.627 -4.390) 4.434 4.271 ( 0.000 -1.376 8.212) 8.326 4.452 ( 0.000 -11.930 10.192) 15.691 4.474 ( 0.000 -1.794 -11.880) 12.014 4.615 ( 0.000 -9.414 -5.248) 10.778 5.483 ( -0.000 5.206 8.482) 9.953 5.651 ( -0.000 1.688 -7.994) 8.170 9.191 ( -0.000 8.001 10.667) 13.335 9.387 ( -0.000 7.527 -9.463) 12.092 28.404 ( -0.000 0.224 14.333) 14.335 28.682 ( -0.000 0.262 -14.178) 14.180 28.985 ( 0.000 -3.598 59.471) 59.580 30.166 ( 0.000 -3.587 -61.991) 62.095 96.037 ( 0.000 -3.233 16.221) 16.540 96.359 ( 0.000 -0.864 -17.122) 17.143======================= Grid point 1294 (391/399) =======================q-point: (-0.64 0.36 0.46)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 686Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.714 ( -7.400 0.000 1.009) 7.469 2.746 ( -4.736 0.000 -2.194) 5.219 3.353 ( 1.514 -0.000 6.445) 6.621 3.482 ( 2.747 -0.000 -6.656) 7.201 4.299 ( -7.140 0.000 1.684) 7.336 4.305 ( -7.144 0.000 1.094) 7.227 5.010 ( -9.053 0.000 6.562) 11.181 5.164 ( -6.041 0.000 -8.352) 10.308 5.394 ( 2.904 -0.000 -0.004) 2.904 5.406 ( 0.729 -0.000 -1.787) 1.930 8.704 ( 13.689 -0.000 7.127) 15.433 8.834 ( 14.173 -0.000 -6.177) 15.460 28.837 ( -8.752 0.000 15.831) 18.089 28.857 ( -1.866 0.000 50.930) 50.964 29.190 ( -7.598 0.000 -6.469) 9.979 30.075 ( 0.134 -0.000 -60.238) 60.238 95.873 ( 1.295 -0.000 18.673) 18.718 96.227 ( 1.847 -0.000 -17.900) 17.995======================= Grid point 1296 (392/399) =======================q-point: (-0.57 0.36 0.46)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.597 ( -5.270 0.311 3.220) 6.184 2.678 ( -3.278 -1.650 -4.973) 6.180 3.368 ( -0.628 -0.420 7.761) 7.797 3.491 ( -2.417 -0.392 -4.582) 5.195 4.175 ( -6.250 -1.691 2.747) 7.034 4.217 ( -4.304 -5.627 -1.441) 7.230 4.786 ( -14.216 -0.312 6.507) 15.638 4.957 ( -13.826 -0.146 -10.484) 17.353 5.479 ( 6.426 2.927 2.313) 7.430 5.504 ( 7.169 0.451 -0.130) 7.184 8.947 ( 13.476 1.490 7.671) 15.578 9.088 ( 13.920 1.032 -6.628) 15.452 28.679 ( -8.505 0.127 15.205) 17.423 28.820 ( -2.582 -0.329 35.636) 35.731 29.060 ( -6.643 -0.414 9.015) 11.206 30.079 ( 0.104 -0.660 -60.751) 60.755 95.902 ( 1.688 -0.487 18.808) 18.890 96.264 ( 2.075 -0.165 -18.565) 18.681======================= Grid point 1297 (393/399) =======================q-point: (-0.50 0.36 0.46)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.525 ( -2.838 -0.805 5.805) 6.511 2.656 ( -1.355 -4.332 -7.595) 8.848 3.319 ( -4.511 1.572 7.798) 9.145 3.408 ( -6.510 -1.207 -1.141) 6.719 4.121 ( -2.498 -6.391 5.512) 8.801 4.233 ( -0.220 -9.514 -5.206) 10.847 4.540 ( -12.914 -1.005 6.392) 14.444 4.715 ( -12.533 -0.354 -10.860) 16.588 5.561 ( 5.290 4.928 4.660) 8.601 5.618 ( 5.920 1.652 -1.108) 6.245 9.153 ( 10.771 3.276 8.406) 14.050 9.306 ( 11.157 2.246 -7.192) 13.463 28.538 ( -6.716 0.118 14.731) 16.190 28.767 ( -3.384 -0.186 8.924) 9.545 28.969 ( -3.908 -1.250 35.988) 36.221 30.088 ( 0.062 -1.460 -61.367) 61.385 95.938 ( 1.620 -1.131 18.667) 18.771 96.301 ( 1.831 -0.391 -18.917) 19.010======================= Grid point 1298 (394/399) =======================q-point: (-0.43 0.36 0.46)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.508 ( -0.677 -3.254 8.597) 9.217 2.689 ( 0.224 -7.720 -10.015) 12.647 3.208 ( -4.988 2.551 8.975) 10.580 3.305 ( -5.262 -1.486 -0.526) 5.493 4.167 ( 0.954 -9.638 7.888) 12.491 4.303 ( -1.446 -6.108 -0.290) 6.284 4.372 ( -5.544 -7.414 -0.328) 9.263 4.529 ( -8.271 -1.136 -11.016) 13.823 5.595 ( 2.857 6.412 6.575) 9.618 5.686 ( 3.255 2.779 -2.599) 5.007 9.277 ( 5.956 4.988 9.240) 12.072 9.445 ( 6.227 3.531 -7.910) 10.669 28.442 ( -3.704 0.142 14.452) 14.920 28.711 ( -2.529 0.087 -9.662) 9.987 28.934 ( -1.489 -2.194 54.779) 54.843 30.102 ( 0.047 -2.257 -61.850) 61.891 95.973 ( 1.020 -1.828 18.269) 18.389 96.332 ( 1.092 -0.628 -18.904) 18.946======================= Grid point 1299 (395/399) =======================q-point: (-0.36 0.36 0.46)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 686Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.538 ( 0.000 -6.183 11.138) 12.739 2.760 ( 0.000 -10.886 -11.741) 16.011 3.139 ( -0.000 2.795 10.556) 10.920 3.262 ( 0.000 -1.136 -1.517) 1.895 4.253 ( 0.000 -1.088 7.533) 7.611 4.275 ( 0.000 -12.422 9.284) 15.508 4.447 ( 0.000 -13.142 -7.573) 15.168 4.451 ( 0.000 -1.493 -11.951) 12.044 5.574 ( -0.000 7.107 7.798) 10.551 5.694 ( -0.000 3.518 -4.272) 5.534 9.292 ( -0.000 6.350 9.934) 11.790 9.473 ( -0.000 4.878 -8.607) 9.893 28.407 ( -0.000 0.180 14.347) 14.348 28.685 ( -0.000 0.210 -14.213) 14.214 28.939 ( 0.000 -2.877 59.438) 59.508 30.121 ( 0.000 -2.895 -62.025) 62.092 95.997 ( 0.000 -2.430 17.706) 17.872 96.347 ( 0.000 -0.795 -18.517) 18.534======================= Grid point 1310 (396/399) =======================q-point: (-0.57 0.43 0.46)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 687Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.521 ( -3.220 0.000 3.944) 5.092 2.626 ( -1.761 0.000 -6.669) 6.898 3.333 ( -3.349 0.000 6.939) 7.705 3.396 ( -7.287 0.000 0.395) 7.298 4.079 ( -3.253 0.000 3.706) 4.931 4.160 ( 0.342 -0.000 -4.546) 4.559 4.533 ( -13.128 0.000 6.880) 14.822 4.713 ( -12.631 0.000 -10.937) 16.708 5.600 ( 5.371 -0.000 3.117) 6.210 5.625 ( 5.868 -0.000 0.709) 5.911 9.176 ( 10.890 -0.000 8.000) 13.513 9.321 ( 11.179 -0.000 -6.770) 13.069 28.539 ( -6.733 0.000 14.666) 16.138 28.765 ( -3.242 0.000 10.394) 10.888 28.960 ( -4.061 0.000 34.567) 34.805 30.078 ( 0.005 -0.000 -61.379) 61.379 95.930 ( 1.561 -0.000 18.927) 18.991 96.299 ( 1.804 -0.000 -19.185) 19.270======================= Grid point 1312 (397/399) =======================q-point: (-0.50 0.43 0.46)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1274Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.483 ( -1.251 -0.669 5.196) 5.387 2.617 ( -0.361 -2.676 -8.378) 8.802 3.245 ( -4.820 2.650 6.284) 8.351 3.280 ( -5.258 -2.204 2.852) 6.375 4.071 ( 0.735 -3.736 6.527) 7.557 4.208 ( 2.534 -4.479 -6.867) 8.581 4.332 ( -8.953 -0.752 6.900) 11.328 4.518 ( -8.629 -0.378 -11.389) 14.294 5.665 ( 2.945 3.158 4.422) 6.180 5.708 ( 3.192 0.296 0.175) 3.211 9.325 ( 6.067 1.806 8.407) 10.524 9.477 ( 6.227 1.101 -7.017) 9.446 28.444 ( -3.706 0.052 14.435) 14.904 28.711 ( -2.426 0.024 -9.017) 9.338 28.913 ( -1.608 -0.776 54.111) 54.141 30.080 ( -0.013 -0.808 -61.860) 61.865 95.955 ( 0.953 -0.636 18.850) 18.884 96.326 ( 1.060 -0.234 -19.467) 19.498======================= Grid point 1313 (398/399) =======================q-point: (-0.43 0.43 0.46)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 687Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.483 ( 0.000 -2.108 6.872) 7.189 2.644 ( 0.000 -5.679 -9.693) 11.234 3.177 ( -0.000 2.612 7.899) 8.320 3.243 ( 0.000 -1.677 1.647) 2.351 4.131 ( 0.000 -7.700 8.158) 11.218 4.241 ( 0.000 -0.594 7.006) 7.031 4.289 ( 0.000 -8.538 -7.445) 11.328 4.434 ( 0.000 -0.853 -12.001) 12.031 5.662 ( -0.000 5.168 5.773) 7.749 5.731 ( -0.000 1.481 -1.125) 1.860 9.362 ( -0.000 3.569 8.883) 9.573 9.522 ( -0.000 2.265 -7.457) 7.793 28.409 ( -0.000 0.100 14.357) 14.357 28.688 ( -0.000 0.117 -14.237) 14.238 28.908 ( 0.000 -1.593 59.398) 59.420 30.089 ( 0.000 -1.613 -62.038) 62.059 95.971 ( 0.000 -1.296 18.610) 18.655 96.338 ( 0.000 -0.471 -19.372) 19.378======================= Grid point 1327 (399/399) =======================q-point: ( 0.50 -0.50 0.46)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 374Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.470 ( -0.000 0.000 4.954) 4.954 2.604 ( -0.000 0.000 -8.747) 8.747 3.205 ( -0.000 0.000 5.328) 5.328 3.222 ( 0.000 -0.000 4.412) 4.412 4.075 ( -0.000 0.000 7.780) 7.780 4.228 ( -0.000 0.000 -7.204) 7.204 4.237 ( -0.000 0.000 6.806) 6.806 4.428 ( -0.000 0.000 -12.019) 12.019 5.704 ( -0.000 0.000 4.080) 4.080 5.737 ( -0.000 0.000 0.850) 0.850 9.387 ( -0.000 0.000 8.376) 8.376 9.538 ( -0.000 0.000 -6.912) 6.912 28.410 ( -0.000 0.000 14.360) 14.360 28.688 ( -0.000 0.000 -14.246) 14.246 28.896 ( -0.000 0.000 59.381) 59.381 30.077 ( -0.000 0.000 -62.040) 62.040 95.962 ( -0.000 0.000 18.911) 18.911 96.335 ( -0.000 0.000 -19.658) 19.658=================== 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 3/45864 10.0 155.852 334.984 197.685 0.000 0.000 -0.000 3/45864 20.0 82.655 107.206 87.202 0.000 0.000 -0.000 3/45864 30.0 39.240 43.313 41.290 0.000 0.000 -0.000 3/45864 40.0 23.513 23.534 24.481 0.000 0.000 -0.000 3/45864 50.0 16.462 15.496 17.053 0.000 0.000 -0.000 3/45864 60.0 12.565 11.387 13.015 0.000 0.000 -0.000 3/45864 70.0 10.118 8.948 10.503 0.000 0.000 -0.000 3/45864 80.0 8.452 7.355 8.799 0.000 0.000 -0.000 3/45864 90.0 7.253 6.242 7.574 0.000 0.000 -0.000 3/45864 100.0 6.354 5.424 6.653 0.000 0.000 -0.000 3/45864 110.0 5.656 4.799 5.936 0.000 0.000 -0.000 3/45864 120.0 5.099 4.306 5.364 0.000 0.000 -0.000 3/45864 130.0 4.644 3.908 4.896 0.000 0.000 -0.000 3/45864 140.0 4.266 3.580 4.507 0.000 0.000 -0.000 3/45864 150.0 3.946 3.304 4.179 0.000 0.000 -0.000 3/45864 160.0 3.672 3.069 3.899 0.000 0.000 -0.000 3/45864 170.0 3.435 2.866 3.657 0.000 0.000 -0.000 3/45864 180.0 3.227 2.688 3.447 0.000 0.000 -0.000 3/45864 190.0 3.043 2.532 3.263 0.000 0.000 -0.000 3/45864 200.0 2.879 2.394 3.100 0.000 0.000 -0.000 3/45864 210.0 2.732 2.270 2.956 0.000 0.000 -0.000 3/45864 220.0 2.599 2.158 2.827 0.000 0.000 -0.000 3/45864 230.0 2.479 2.057 2.711 0.000 0.000 -0.000 3/45864 240.0 2.370 1.965 2.606 0.000 0.000 -0.000 3/45864 250.0 2.270 1.881 2.511 0.000 0.000 -0.000 3/45864 260.0 2.178 1.804 2.424 0.000 0.000 -0.000 3/45864 270.0 2.093 1.733 2.344 0.000 0.000 -0.000 3/45864 280.0 2.015 1.667 2.271 0.000 0.000 -0.000 3/45864 290.0 1.942 1.607 2.203 0.000 0.000 -0.000 3/45864 300.0 1.874 1.550 2.140 0.000 0.000 -0.000 3/45864 310.0 1.811 1.498 2.082 0.000 0.000 -0.000 3/45864 320.0 1.752 1.448 2.027 0.000 0.000 -0.000 3/45864 330.0 1.697 1.402 1.976 0.000 0.000 -0.000 3/45864 340.0 1.645 1.359 1.928 0.000 0.000 -0.000 3/45864 350.0 1.597 1.319 1.882 0.000 0.000 -0.000 3/45864 360.0 1.551 1.280 1.840 0.000 0.000 -0.000 3/45864 370.0 1.507 1.244 1.799 0.000 0.000 -0.000 3/45864 380.0 1.466 1.210 1.760 0.000 0.000 -0.000 3/45864 390.0 1.428 1.178 1.724 0.000 0.000 -0.000 3/45864 400.0 1.391 1.147 1.689 0.000 0.000 -0.000 3/45864 410.0 1.356 1.118 1.655 0.000 0.000 -0.000 3/45864 420.0 1.323 1.091 1.623 0.000 0.000 -0.000 3/45864 430.0 1.291 1.064 1.593 0.000 0.000 -0.000 3/45864 440.0 1.261 1.039 1.563 0.000 0.000 -0.000 3/45864 450.0 1.232 1.016 1.535 0.000 0.000 -0.000 3/45864 460.0 1.205 0.993 1.508 0.000 0.000 -0.000 3/45864 470.0 1.178 0.971 1.482 0.000 0.000 -0.000 3/45864 480.0 1.153 0.950 1.457 0.000 0.000 -0.000 3/45864 490.0 1.129 0.930 1.433 0.000 0.000 -0.000 3/45864 500.0 1.106 0.911 1.409 0.000 0.000 -0.000 3/45864 510.0 1.084 0.893 1.387 0.000 0.000 -0.000 3/45864 520.0 1.063 0.875 1.365 0.000 0.000 -0.000 3/45864 530.0 1.042 0.858 1.344 0.000 0.000 -0.000 3/45864 540.0 1.023 0.842 1.323 0.000 0.000 -0.000 3/45864 550.0 1.004 0.826 1.303 0.000 0.000 -0.000 3/45864 560.0 0.986 0.811 1.284 0.000 0.000 -0.000 3/45864 570.0 0.968 0.796 1.266 0.000 0.000 -0.000 3/45864 580.0 0.951 0.782 1.248 0.000 0.000 -0.000 3/45864 590.0 0.935 0.769 1.230 0.000 0.000 -0.000 3/45864 600.0 0.919 0.756 1.213 0.000 0.000 -0.000 3/45864 610.0 0.904 0.743 1.197 0.000 0.000 -0.000 3/45864 620.0 0.889 0.731 1.181 0.000 0.000 -0.000 3/45864 630.0 0.874 0.719 1.165 0.000 0.000 -0.000 3/45864 640.0 0.861 0.708 1.150 0.000 0.000 -0.000 3/45864 650.0 0.847 0.697 1.136 0.000 0.000 -0.000 3/45864 660.0 0.834 0.686 1.121 0.000 0.000 -0.000 3/45864 670.0 0.822 0.676 1.107 0.000 0.000 -0.000 3/45864 680.0 0.810 0.665 1.094 0.000 0.000 -0.000 3/45864 690.0 0.798 0.656 1.081 0.000 0.000 -0.000 3/45864 700.0 0.786 0.646 1.068 0.000 0.000 -0.000 3/45864 710.0 0.775 0.637 1.055 0.000 0.000 -0.000 3/45864 720.0 0.764 0.628 1.043 0.000 0.000 -0.000 3/45864 730.0 0.754 0.619 1.031 0.000 0.000 -0.000 3/45864 740.0 0.743 0.611 1.020 0.000 0.000 -0.000 3/45864 750.0 0.733 0.603 1.009 0.000 0.000 -0.000 3/45864 760.0 0.724 0.595 0.998 0.000 0.000 -0.000 3/45864 770.0 0.714 0.587 0.987 0.000 0.000 -0.000 3/45864 780.0 0.705 0.579 0.976 0.000 0.000 -0.000 3/45864 790.0 0.696 0.572 0.966 0.000 0.000 -0.000 3/45864 800.0 0.687 0.565 0.956 0.000 0.000 -0.000 3/45864 810.0 0.679 0.558 0.946 0.000 0.000 -0.000 3/45864 820.0 0.671 0.551 0.937 0.000 0.000 -0.000 3/45864 830.0 0.662 0.544 0.928 0.000 0.000 -0.000 3/45864 840.0 0.655 0.538 0.919 0.000 0.000 -0.000 3/45864 850.0 0.647 0.531 0.910 0.000 0.000 -0.000 3/45864 860.0 0.639 0.525 0.901 0.000 0.000 -0.000 3/45864 870.0 0.632 0.519 0.892 0.000 0.000 -0.000 3/45864 880.0 0.625 0.513 0.884 0.000 0.000 -0.000 3/45864 890.0 0.618 0.507 0.876 0.000 0.000 -0.000 3/45864 900.0 0.611 0.502 0.868 0.000 0.000 -0.000 3/45864 910.0 0.604 0.496 0.860 0.000 0.000 -0.000 3/45864 920.0 0.598 0.491 0.852 0.000 0.000 -0.000 3/45864 930.0 0.591 0.485 0.845 0.000 0.000 -0.000 3/45864 940.0 0.585 0.480 0.838 0.000 0.000 -0.000 3/45864 950.0 0.579 0.475 0.830 0.000 0.000 -0.000 3/45864 960.0 0.573 0.470 0.823 0.000 0.000 -0.000 3/45864 970.0 0.567 0.465 0.817 0.000 0.000 -0.000 3/45864 980.0 0.561 0.461 0.810 0.000 0.000 -0.000 3/45864 990.0 0.555 0.456 0.803 0.000 0.000 -0.000 3/45864 1000.0 0.550 0.452 0.797 0.000 0.000 -0.000 3/45864Thermal conductivity related properties were written into "kappa-m141413.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 20:40:28]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|