# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/02b5f38d-bd43-4d6d-a515-a5fe4e089875/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 KH4O2F / Pmc2_1 (26) / materials id 983327](https://mdr.nims.go.jp/datasets/0f8eba30-c69b-432b-87f1-191e1eff94f3) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-09 04:47:19]-------------------------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 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: Pmc2_1 (26)Number of symmetry operations in supercell: 24------------------------------ primitive cell ------------------------------Lattice vectors: a 4.137308030000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.125758609999999 0.000000000000000 c 0.000000000000000 0.000000000000000 8.688523519999999Atomic positions (fractional): *1 K 0.50000000000000 0.60157657779414 0.49562242359381 39.098 2 K 0.50000000000000 0.39842342220586 0.99562242359381 39.098 *3 H 0.30848796497821 0.90988063018090 0.17700641119802 1.008 4 H 0.69151203502179 0.90988063018090 0.17700641119802 1.008 *5 H 0.00000000000000 0.21377360451384 0.29256286825896 1.008 *6 H 0.00000000000000 0.13502441741836 0.46960777509970 1.008 7 H 0.30848796497821 0.09011936981910 0.67700641119802 1.008 8 H 0.69151203502179 0.09011936981910 0.67700641119802 1.008 9 H 0.00000000000000 0.78622639548616 0.79256286825896 1.008 10 H 0.00000000000000 0.86497558258164 0.96960777509970 1.008 *11 O 0.50000000000000 0.80379499391036 0.20782307046085 15.999 *12 O 0.00000000000000 0.28717540042248 0.39863718610273 15.999 13 O 0.50000000000000 0.19620500608964 0.70782307046085 15.999 14 O 0.00000000000000 0.71282459957752 0.89863718610273 15.999 *15 F 0.00000000000000 0.08721881785965 0.11513286408790 18.998 16 F 0.00000000000000 0.91278118214035 0.61513286408790 18.998-------------------------------- unit cell ---------------------------------Lattice vectors: a 4.137308030000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.125758609999999 0.000000000000000 c 0.000000000000000 0.000000000000000 8.688523519999999Atomic positions (fractional): *1 K 0.50000000000000 0.60157657779414 0.49562242359381 39.098 > 1 2 K 0.50000000000000 0.39842342220586 0.99562242359381 39.098 > 2 *3 H 0.30848796497821 0.90988063018090 0.17700641119802 1.008 > 3 4 H 0.69151203502179 0.90988063018090 0.17700641119802 1.008 > 4 *5 H 0.00000000000000 0.21377360451384 0.29256286825896 1.008 > 5 *6 H 0.00000000000000 0.13502441741836 0.46960777509970 1.008 > 6 7 H 0.30848796497821 0.09011936981910 0.67700641119802 1.008 > 7 8 H 0.69151203502179 0.09011936981910 0.67700641119802 1.008 > 8 9 H 0.00000000000000 0.78622639548616 0.79256286825896 1.008 > 9 10 H 0.00000000000000 0.86497558258164 0.96960777509970 1.008 > 10 *11 O 0.50000000000000 0.80379499391036 0.20782307046085 15.999 > 11 *12 O 0.00000000000000 0.28717540042248 0.39863718610273 15.999 > 12 13 O 0.50000000000000 0.19620500608964 0.70782307046085 15.999 > 13 14 O 0.00000000000000 0.71282459957752 0.89863718610273 15.999 > 14 *15 F 0.00000000000000 0.08721881785965 0.11513286408790 18.998 > 15 16 F 0.00000000000000 0.91278118214035 0.61513286408790 18.998 > 16-------------------------------- super cell --------------------------------Lattice vectors: a 12.411924089999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.251517219999998 0.000000000000000 c 0.000000000000000 0.000000000000000 8.688523519999999Atomic positions (fractional): *1 K 0.16666666666667 0.30078828889707 0.49562242359381 39.098 > 1 2 K 0.50000000000000 0.30078828889707 0.49562242359381 39.098 > 1 3 K 0.83333333333333 0.30078828889707 0.49562242359381 39.098 > 1 4 K 0.16666666666667 0.80078828889707 0.49562242359381 39.098 > 1 5 K 0.50000000000000 0.80078828889707 0.49562242359381 39.098 > 1 6 K 0.83333333333333 0.80078828889707 0.49562242359381 39.098 > 1 7 K 0.16666666666667 0.19921171110293 0.99562242359381 39.098 > 2 8 K 0.50000000000000 0.19921171110293 0.99562242359381 39.098 > 2 9 K 0.83333333333333 0.19921171110293 0.99562242359381 39.098 > 2 10 K 0.16666666666667 0.69921171110293 0.99562242359381 39.098 > 2 11 K 0.50000000000000 0.69921171110293 0.99562242359381 39.098 > 2 12 K 0.83333333333333 0.69921171110293 0.99562242359381 39.098 > 2 *13 H 0.10282932165940 0.45494031509045 0.17700641119802 1.008 > 3 14 H 0.43616265499274 0.45494031509045 0.17700641119802 1.008 > 3 15 H 0.76949598832607 0.45494031509045 0.17700641119802 1.008 > 3 16 H 0.10282932165940 0.95494031509045 0.17700641119802 1.008 > 3 17 H 0.43616265499274 0.95494031509045 0.17700641119802 1.008 > 3 18 H 0.76949598832607 0.95494031509045 0.17700641119802 1.008 > 3 19 H 0.23050401167393 0.45494031509045 0.17700641119802 1.008 > 4 20 H 0.56383734500726 0.45494031509045 0.17700641119802 1.008 > 4 21 H 0.89717067834060 0.45494031509045 0.17700641119802 1.008 > 4 22 H 0.23050401167393 0.95494031509045 0.17700641119802 1.008 > 4 23 H 0.56383734500726 0.95494031509045 0.17700641119802 1.008 > 4 24 H 0.89717067834060 0.95494031509045 0.17700641119802 1.008 > 4 *25 H 0.00000000000000 0.10688680225692 0.29256286825896 1.008 > 5 26 H 0.33333333333333 0.10688680225692 0.29256286825896 1.008 > 5 27 H 0.66666666666667 0.10688680225692 0.29256286825896 1.008 > 5 28 H 0.00000000000000 0.60688680225692 0.29256286825896 1.008 > 5 29 H 0.33333333333333 0.60688680225692 0.29256286825896 1.008 > 5 30 H 0.66666666666667 0.60688680225692 0.29256286825896 1.008 > 5 *31 H 0.00000000000000 0.06751220870918 0.46960777509970 1.008 > 6 32 H 0.33333333333333 0.06751220870918 0.46960777509970 1.008 > 6 33 H 0.66666666666667 0.06751220870918 0.46960777509970 1.008 > 6 34 H 0.00000000000000 0.56751220870918 0.46960777509970 1.008 > 6 35 H 0.33333333333333 0.56751220870918 0.46960777509970 1.008 > 6 36 H 0.66666666666667 0.56751220870918 0.46960777509970 1.008 > 6 37 H 0.10282932165940 0.04505968490955 0.67700641119802 1.008 > 7 38 H 0.43616265499274 0.04505968490955 0.67700641119802 1.008 > 7 39 H 0.76949598832607 0.04505968490955 0.67700641119802 1.008 > 7 40 H 0.10282932165940 0.54505968490955 0.67700641119802 1.008 > 7 41 H 0.43616265499274 0.54505968490955 0.67700641119802 1.008 > 7 42 H 0.76949598832607 0.54505968490955 0.67700641119802 1.008 > 7 43 H 0.23050401167393 0.04505968490955 0.67700641119802 1.008 > 8 44 H 0.56383734500726 0.04505968490955 0.67700641119802 1.008 > 8 45 H 0.89717067834060 0.04505968490955 0.67700641119802 1.008 > 8 46 H 0.23050401167393 0.54505968490955 0.67700641119802 1.008 > 8 47 H 0.56383734500726 0.54505968490955 0.67700641119802 1.008 > 8 48 H 0.89717067834060 0.54505968490955 0.67700641119802 1.008 > 8 49 H 0.00000000000000 0.39311319774308 0.79256286825896 1.008 > 9 50 H 0.33333333333333 0.39311319774308 0.79256286825896 1.008 > 9 51 H 0.66666666666667 0.39311319774308 0.79256286825896 1.008 > 9 52 H 0.00000000000000 0.89311319774308 0.79256286825896 1.008 > 9 53 H 0.33333333333333 0.89311319774308 0.79256286825896 1.008 > 9 54 H 0.66666666666667 0.89311319774308 0.79256286825896 1.008 > 9 55 H 0.00000000000000 0.43248779129082 0.96960777509970 1.008 > 10 56 H 0.33333333333333 0.43248779129082 0.96960777509970 1.008 > 10 57 H 0.66666666666667 0.43248779129082 0.96960777509970 1.008 > 10 58 H 0.00000000000000 0.93248779129082 0.96960777509970 1.008 > 10 59 H 0.33333333333333 0.93248779129082 0.96960777509970 1.008 > 10 60 H 0.66666666666667 0.93248779129082 0.96960777509970 1.008 > 10 *61 O 0.16666666666667 0.40189749695518 0.20782307046085 15.999 > 11 62 O 0.50000000000000 0.40189749695518 0.20782307046085 15.999 > 11 63 O 0.83333333333333 0.40189749695518 0.20782307046085 15.999 > 11 64 O 0.16666666666667 0.90189749695518 0.20782307046085 15.999 > 11 65 O 0.50000000000000 0.90189749695518 0.20782307046085 15.999 > 11 66 O 0.83333333333333 0.90189749695518 0.20782307046085 15.999 > 11 *67 O 0.00000000000000 0.14358770021124 0.39863718610273 15.999 > 12 68 O 0.33333333333333 0.14358770021124 0.39863718610273 15.999 > 12 69 O 0.66666666666667 0.14358770021124 0.39863718610273 15.999 > 12 70 O 0.00000000000000 0.64358770021124 0.39863718610273 15.999 > 12 71 O 0.33333333333333 0.64358770021124 0.39863718610273 15.999 > 12 72 O 0.66666666666667 0.64358770021124 0.39863718610273 15.999 > 12 73 O 0.16666666666667 0.09810250304482 0.70782307046085 15.999 > 13 74 O 0.50000000000000 0.09810250304482 0.70782307046085 15.999 > 13 75 O 0.83333333333333 0.09810250304482 0.70782307046085 15.999 > 13 76 O 0.16666666666667 0.59810250304482 0.70782307046085 15.999 > 13 77 O 0.50000000000000 0.59810250304482 0.70782307046085 15.999 > 13 78 O 0.83333333333333 0.59810250304482 0.70782307046085 15.999 > 13 79 O 0.00000000000000 0.35641229978876 0.89863718610273 15.999 > 14 80 O 0.33333333333333 0.35641229978876 0.89863718610273 15.999 > 14 81 O 0.66666666666667 0.35641229978876 0.89863718610273 15.999 > 14 82 O 0.00000000000000 0.85641229978876 0.89863718610273 15.999 > 14 83 O 0.33333333333333 0.85641229978876 0.89863718610273 15.999 > 14 84 O 0.66666666666667 0.85641229978876 0.89863718610273 15.999 > 14 *85 F 0.00000000000000 0.04360940892982 0.11513286408790 18.998 > 15 86 F 0.33333333333333 0.04360940892982 0.11513286408790 18.998 > 15 87 F 0.66666666666667 0.04360940892982 0.11513286408790 18.998 > 15 88 F 0.00000000000000 0.54360940892983 0.11513286408790 18.998 > 15 89 F 0.33333333333333 0.54360940892983 0.11513286408790 18.998 > 15 90 F 0.66666666666667 0.54360940892983 0.11513286408790 18.998 > 15 91 F 0.00000000000000 0.45639059107017 0.61513286408790 18.998 > 16 92 F 0.33333333333333 0.45639059107017 0.61513286408790 18.998 > 16 93 F 0.66666666666667 0.45639059107017 0.61513286408790 18.998 > 16 94 F 0.00000000000000 0.95639059107017 0.61513286408790 18.998 > 16 95 F 0.33333333333333 0.95639059107017 0.61513286408790 18.998 > 16 96 F 0.66666666666667 0.95639059107017 0.61513286408790 18.998 > 16----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 1.9681321 0.0000000 0.0000000 0.0000000 1.9316637 0.0000000 0.0000000 0.0000000 1.9832750-------------------------- Born effective charges -------------------------- 1 K 1.1234214 0.0000000 0.0000000 0.0000000 1.1949827 -0.0038730 0.0000000 0.0006572 1.1012932 2 K 1.1234214 0.0000000 0.0000000 0.0000000 1.1949827 0.0038730 0.0000000 -0.0006572 1.1012932 3 H 0.8411665 -0.3504807 0.1919965 -0.3100358 0.4087417 -0.0508773 0.1717958 -0.0405109 0.3649816 4 H 0.8411665 0.3504807 -0.1919965 0.3100358 0.4087417 -0.0508773 -0.1717958 -0.0405109 0.3649816 5 H 0.3250919 0.0000000 0.0000000 0.0000000 0.3354651 0.2796100 0.0000000 0.2530923 0.9841542 6 H 0.3431547 0.0000000 0.0000000 0.0000000 0.4897892 -0.3434342 0.0000000 -0.4096172 0.7426378 7 H 0.8411665 0.3504807 0.1919965 0.3100358 0.4087417 0.0508773 0.1717958 0.0405109 0.3649816 8 H 0.8411665 -0.3504807 -0.1919965 -0.3100358 0.4087417 0.0508773 -0.1717958 0.0405109 0.3649816 9 H 0.3250919 0.0000000 0.0000000 0.0000000 0.3354651 -0.2796100 0.0000000 -0.2530923 0.9841542 10 H 0.3431547 0.0000000 0.0000000 0.0000000 0.4897892 0.3434342 0.0000000 0.4096172 0.7426378 11 O -1.2645579 0.0000000 0.0000000 0.0000000 -0.8703610 0.0125292 0.0000000 -0.0102459 -0.9576270 12 O -0.9212748 0.0000000 0.0000000 0.0000000 -0.8658847 -0.0112978 0.0000000 0.0671129 -1.2915325 13 O -1.2645579 0.0000000 0.0000000 0.0000000 -0.8703610 -0.0125292 0.0000000 0.0102459 -0.9576270 14 O -0.9212748 0.0000000 0.0000000 0.0000000 -0.8658847 0.0112978 0.0000000 -0.0671129 -1.2915325 15 F -1.2881683 0.0000000 0.0000000 0.0000000 -1.1014748 -0.1489466 0.0000000 -0.1865385 -1.3088890 16 F -1.2881683 0.0000000 0.0000000 0.0000000 -1.1014748 0.1489466 0.0000000 0.1865385 -1.3088890----------------------------------------------------------------------------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: 288/288Permutation basis: 7248/7248Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 1860Number of blocks in projector: 1860Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 456Use standard eigh solver.--- Eigsh_solver_block: 2 / 6 ---Block_size: 312Use standard eigh solver.--- Eigsh_solver_block: 3 / 6 ---Block_size: 312Use standard eigh solver.--- Eigsh_solver_block: 4 / 6 ---Block_size: 260Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 260Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 260Use standard eigh solver.Tree of FC basis block matrices:- (1860, 1821), data: False|-- (260, 253), data: True|-- (260, 253), data: True|-- (260, 253), data: True|-- (312, 310), data: True|-- (312, 310), data: True|-- (456, 442), data: True-----Solver_atoms: 1 -- 96 / 96Time (Solver_compr_matrix_reshape): 0.002Solver_block: 100 / 480 - Time: 2.464Solver_block: 200 / 480 - Time: 2.473Solver_block: 300 / 480 - Time: 2.473Solver_block: 400 / 480 - Time: 2.474Solver_block: 480 / 480 - Time: 2.010Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 11.938--------------------------------- Symfc end --------------------------------Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 288/288Permutation basis: 7248/7248Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 1860Number of blocks in projector: 1860Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 456Use standard eigh solver.--- Eigsh_solver_block: 2 / 6 ---Block_size: 312Use standard eigh solver.--- Eigsh_solver_block: 3 / 6 ---Block_size: 312Use standard eigh solver.--- Eigsh_solver_block: 4 / 6 ---Block_size: 260Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 260Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 260Use standard eigh solver.Tree of FC basis block matrices:- (1860, 1821), data: False|-- (260, 253), data: True|-- (260, 253), data: True|-- (260, 253), data: True|-- (312, 310), data: True|-- (312, 310), data: True|-- (456, 442), data: TrueMax drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-09 04:47:48]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-09 04:47:49]-------------------------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 2 1]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: Pmc2_1 (26)------------------------------ primitive cell ------------------------------Lattice vectors: a 4.137308030000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.125758609999999 0.000000000000000 c 0.000000000000000 0.000000000000000 8.688523519999999Atomic positions (fractional): 1 K 0.50000000000000 0.60157657779414 0.49562242359381 39.098 2 K 0.50000000000000 0.39842342220586 0.99562242359381 39.098 3 H 0.30848796497821 0.90988063018090 0.17700641119802 1.008 4 H 0.69151203502179 0.90988063018090 0.17700641119802 1.008 5 H 0.00000000000000 0.21377360451384 0.29256286825896 1.008 6 H 0.00000000000000 0.13502441741836 0.46960777509970 1.008 7 H 0.30848796497821 0.09011936981910 0.67700641119802 1.008 8 H 0.69151203502179 0.09011936981910 0.67700641119802 1.008 9 H 0.00000000000000 0.78622639548616 0.79256286825896 1.008 10 H 0.00000000000000 0.86497558258164 0.96960777509970 1.008 11 O 0.50000000000000 0.80379499391036 0.20782307046085 15.999 12 O 0.00000000000000 0.28717540042248 0.39863718610273 15.999 13 O 0.50000000000000 0.19620500608964 0.70782307046085 15.999 14 O 0.00000000000000 0.71282459957752 0.89863718610273 15.999 15 F 0.00000000000000 0.08721881785965 0.11513286408790 18.998 16 F 0.00000000000000 0.91278118214035 0.61513286408790 18.998-------------------------------- supercell ---------------------------------Lattice vectors: a 12.411924089999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.251517219999998 0.000000000000000 c 0.000000000000000 0.000000000000000 8.688523519999999Atomic positions (fractional): 1 K 0.16666666666667 0.30078828889707 0.49562242359381 39.098 > 1 2 K 0.50000000000000 0.30078828889707 0.49562242359381 39.098 > 1 3 K 0.83333333333333 0.30078828889707 0.49562242359381 39.098 > 1 4 K 0.16666666666667 0.80078828889707 0.49562242359381 39.098 > 1 5 K 0.50000000000000 0.80078828889707 0.49562242359381 39.098 > 1 6 K 0.83333333333333 0.80078828889707 0.49562242359381 39.098 > 1 7 K 0.16666666666667 0.19921171110293 0.99562242359381 39.098 > 7 8 K 0.50000000000000 0.19921171110293 0.99562242359381 39.098 > 7 9 K 0.83333333333333 0.19921171110293 0.99562242359381 39.098 > 7 10 K 0.16666666666667 0.69921171110293 0.99562242359381 39.098 > 7 11 K 0.50000000000000 0.69921171110293 0.99562242359381 39.098 > 7 12 K 0.83333333333333 0.69921171110293 0.99562242359381 39.098 > 7 13 H 0.10282932165940 0.45494031509045 0.17700641119802 1.008 > 13 14 H 0.43616265499274 0.45494031509045 0.17700641119802 1.008 > 13 15 H 0.76949598832607 0.45494031509045 0.17700641119802 1.008 > 13 16 H 0.10282932165940 0.95494031509045 0.17700641119802 1.008 > 13 17 H 0.43616265499274 0.95494031509045 0.17700641119802 1.008 > 13 18 H 0.76949598832607 0.95494031509045 0.17700641119802 1.008 > 13 19 H 0.23050401167393 0.45494031509045 0.17700641119802 1.008 > 19 20 H 0.56383734500726 0.45494031509045 0.17700641119802 1.008 > 19 21 H 0.89717067834060 0.45494031509045 0.17700641119802 1.008 > 19 22 H 0.23050401167393 0.95494031509045 0.17700641119802 1.008 > 19 23 H 0.56383734500726 0.95494031509045 0.17700641119802 1.008 > 19 24 H 0.89717067834060 0.95494031509045 0.17700641119802 1.008 > 19 25 H 0.00000000000000 0.10688680225692 0.29256286825896 1.008 > 25 26 H 0.33333333333333 0.10688680225692 0.29256286825896 1.008 > 25 27 H 0.66666666666667 0.10688680225692 0.29256286825896 1.008 > 25 28 H 0.00000000000000 0.60688680225692 0.29256286825896 1.008 > 25 29 H 0.33333333333333 0.60688680225692 0.29256286825896 1.008 > 25 30 H 0.66666666666667 0.60688680225692 0.29256286825896 1.008 > 25 31 H 0.00000000000000 0.06751220870918 0.46960777509970 1.008 > 31 32 H 0.33333333333333 0.06751220870918 0.46960777509970 1.008 > 31 33 H 0.66666666666667 0.06751220870918 0.46960777509970 1.008 > 31 34 H 0.00000000000000 0.56751220870918 0.46960777509970 1.008 > 31 35 H 0.33333333333333 0.56751220870918 0.46960777509970 1.008 > 31 36 H 0.66666666666667 0.56751220870918 0.46960777509970 1.008 > 31 37 H 0.10282932165940 0.04505968490955 0.67700641119802 1.008 > 37 38 H 0.43616265499274 0.04505968490955 0.67700641119802 1.008 > 37 39 H 0.76949598832607 0.04505968490955 0.67700641119802 1.008 > 37 40 H 0.10282932165940 0.54505968490955 0.67700641119802 1.008 > 37 41 H 0.43616265499274 0.54505968490955 0.67700641119802 1.008 > 37 42 H 0.76949598832607 0.54505968490955 0.67700641119802 1.008 > 37 43 H 0.23050401167393 0.04505968490955 0.67700641119802 1.008 > 43 44 H 0.56383734500726 0.04505968490955 0.67700641119802 1.008 > 43 45 H 0.89717067834060 0.04505968490955 0.67700641119802 1.008 > 43 46 H 0.23050401167393 0.54505968490955 0.67700641119802 1.008 > 43 47 H 0.56383734500726 0.54505968490955 0.67700641119802 1.008 > 43 48 H 0.89717067834060 0.54505968490955 0.67700641119802 1.008 > 43 49 H 0.00000000000000 0.39311319774308 0.79256286825896 1.008 > 49 50 H 0.33333333333333 0.39311319774308 0.79256286825896 1.008 > 49 51 H 0.66666666666667 0.39311319774308 0.79256286825896 1.008 > 49 52 H 0.00000000000000 0.89311319774308 0.79256286825896 1.008 > 49 53 H 0.33333333333333 0.89311319774308 0.79256286825896 1.008 > 49 54 H 0.66666666666667 0.89311319774308 0.79256286825896 1.008 > 49 55 H 0.00000000000000 0.43248779129082 0.96960777509970 1.008 > 55 56 H 0.33333333333333 0.43248779129082 0.96960777509970 1.008 > 55 57 H 0.66666666666667 0.43248779129082 0.96960777509970 1.008 > 55 58 H 0.00000000000000 0.93248779129082 0.96960777509970 1.008 > 55 59 H 0.33333333333333 0.93248779129082 0.96960777509970 1.008 > 55 60 H 0.66666666666667 0.93248779129082 0.96960777509970 1.008 > 55 61 O 0.16666666666667 0.40189749695518 0.20782307046085 15.999 > 61 62 O 0.50000000000000 0.40189749695518 0.20782307046085 15.999 > 61 63 O 0.83333333333333 0.40189749695518 0.20782307046085 15.999 > 61 64 O 0.16666666666667 0.90189749695518 0.20782307046085 15.999 > 61 65 O 0.50000000000000 0.90189749695518 0.20782307046085 15.999 > 61 66 O 0.83333333333333 0.90189749695518 0.20782307046085 15.999 > 61 67 O 0.00000000000000 0.14358770021124 0.39863718610273 15.999 > 67 68 O 0.33333333333333 0.14358770021124 0.39863718610273 15.999 > 67 69 O 0.66666666666667 0.14358770021124 0.39863718610273 15.999 > 67 70 O 0.00000000000000 0.64358770021124 0.39863718610273 15.999 > 67 71 O 0.33333333333333 0.64358770021124 0.39863718610273 15.999 > 67 72 O 0.66666666666667 0.64358770021124 0.39863718610273 15.999 > 67 73 O 0.16666666666667 0.09810250304482 0.70782307046085 15.999 > 73 74 O 0.50000000000000 0.09810250304482 0.70782307046085 15.999 > 73 75 O 0.83333333333333 0.09810250304482 0.70782307046085 15.999 > 73 76 O 0.16666666666667 0.59810250304482 0.70782307046085 15.999 > 73 77 O 0.50000000000000 0.59810250304482 0.70782307046085 15.999 > 73 78 O 0.83333333333333 0.59810250304482 0.70782307046085 15.999 > 73 79 O 0.00000000000000 0.35641229978876 0.89863718610273 15.999 > 79 80 O 0.33333333333333 0.35641229978876 0.89863718610273 15.999 > 79 81 O 0.66666666666667 0.35641229978876 0.89863718610273 15.999 > 79 82 O 0.00000000000000 0.85641229978876 0.89863718610273 15.999 > 79 83 O 0.33333333333333 0.85641229978876 0.89863718610273 15.999 > 79 84 O 0.66666666666667 0.85641229978876 0.89863718610273 15.999 > 79 85 F 0.00000000000000 0.04360940892982 0.11513286408790 18.998 > 85 86 F 0.33333333333333 0.04360940892982 0.11513286408790 18.998 > 85 87 F 0.66666666666667 0.04360940892982 0.11513286408790 18.998 > 85 88 F 0.00000000000000 0.54360940892983 0.11513286408790 18.998 > 85 89 F 0.33333333333333 0.54360940892983 0.11513286408790 18.998 > 85 90 F 0.66666666666667 0.54360940892983 0.11513286408790 18.998 > 85 91 F 0.00000000000000 0.45639059107017 0.61513286408790 18.998 > 91 92 F 0.33333333333333 0.45639059107017 0.61513286408790 18.998 > 91 93 F 0.66666666666667 0.45639059107017 0.61513286408790 18.998 > 91 94 F 0.00000000000000 0.95639059107017 0.61513286408790 18.998 > 91 95 F 0.33333333333333 0.95639059107017 0.61513286408790 18.998 > 91 96 F 0.66666666666667 0.95639059107017 0.61513286408790 18.998 > 91----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 1.9681321 0.0000000 0.0000000 0.0000000 1.9316637 0.0000000 0.0000000 0.0000000 1.9832750-------------------------- Born effective charges -------------------------- 1 K 1.1234214 0.0000000 0.0000000 0.0000000 1.1949827 -0.0038730 0.0000000 0.0006572 1.1012932 2 K 1.1234214 0.0000000 0.0000000 0.0000000 1.1949827 0.0038730 0.0000000 -0.0006572 1.1012932 3 H 0.8411665 -0.3504807 0.1919965 -0.3100358 0.4087417 -0.0508773 0.1717958 -0.0405109 0.3649816 4 H 0.8411665 0.3504807 -0.1919965 0.3100358 0.4087417 -0.0508773 -0.1717958 -0.0405109 0.3649816 5 H 0.3250919 0.0000000 0.0000000 0.0000000 0.3354651 0.2796100 0.0000000 0.2530923 0.9841542 6 H 0.3431547 0.0000000 0.0000000 0.0000000 0.4897892 -0.3434342 0.0000000 -0.4096172 0.7426378 7 H 0.8411665 0.3504807 0.1919965 0.3100358 0.4087417 0.0508773 0.1717958 0.0405109 0.3649816 8 H 0.8411665 -0.3504807 -0.1919965 -0.3100358 0.4087417 0.0508773 -0.1717958 0.0405109 0.3649816 9 H 0.3250919 0.0000000 0.0000000 0.0000000 0.3354651 -0.2796100 0.0000000 -0.2530923 0.9841542 10 H 0.3431547 0.0000000 0.0000000 0.0000000 0.4897892 0.3434342 0.0000000 0.4096172 0.7426378 11 O -1.2645579 0.0000000 0.0000000 0.0000000 -0.8703610 0.0125292 0.0000000 -0.0102459 -0.9576270 12 O -0.9212748 0.0000000 0.0000000 0.0000000 -0.8658847 -0.0112978 0.0000000 0.0671129 -1.2915325 13 O -1.2645579 0.0000000 0.0000000 0.0000000 -0.8703610 -0.0125292 0.0000000 0.0102459 -0.9576270 14 O -0.9212748 0.0000000 0.0000000 0.0000000 -0.8658847 0.0112978 0.0000000 -0.0671129 -1.2915325 15 F -1.2881683 0.0000000 0.0000000 0.0000000 -1.1014748 -0.1489466 0.0000000 -0.1865385 -1.3088890 16 F -1.2881683 0.0000000 0.0000000 0.0000000 -1.1014748 0.1489466 0.0000000 0.1865385 -1.3088890----------------------------------------------------------------------------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[ 13, 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[ 25, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 31, 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[ 61, 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[ 67, 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[ 85, 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: -0.00000003 (zzz) -0.00000003 (zzz) -0.00000003 (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 2026-01-09 04:48:06]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-09 04:48:07]-------------------------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 2 1]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: Pmc2_1 (26)------------------------------ primitive cell ------------------------------Lattice vectors: a 4.137308030000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.125758609999999 0.000000000000000 c 0.000000000000000 0.000000000000000 8.688523519999999Atomic positions (fractional): 1 K 0.50000000000000 0.60157657779414 0.49562242359381 39.098 2 K 0.50000000000000 0.39842342220586 0.99562242359381 39.098 3 H 0.30848796497821 0.90988063018090 0.17700641119802 1.008 4 H 0.69151203502179 0.90988063018090 0.17700641119802 1.008 5 H 0.00000000000000 0.21377360451384 0.29256286825896 1.008 6 H 0.00000000000000 0.13502441741836 0.46960777509970 1.008 7 H 0.30848796497821 0.09011936981910 0.67700641119802 1.008 8 H 0.69151203502179 0.09011936981910 0.67700641119802 1.008 9 H 0.00000000000000 0.78622639548616 0.79256286825896 1.008 10 H 0.00000000000000 0.86497558258164 0.96960777509970 1.008 11 O 0.50000000000000 0.80379499391036 0.20782307046085 15.999 12 O 0.00000000000000 0.28717540042248 0.39863718610273 15.999 13 O 0.50000000000000 0.19620500608964 0.70782307046085 15.999 14 O 0.00000000000000 0.71282459957752 0.89863718610273 15.999 15 F 0.00000000000000 0.08721881785965 0.11513286408790 18.998 16 F 0.00000000000000 0.91278118214035 0.61513286408790 18.998-------------------------------- supercell ---------------------------------Lattice vectors: a 12.411924089999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.251517219999998 0.000000000000000 c 0.000000000000000 0.000000000000000 8.688523519999999Atomic positions (fractional): 1 K 0.16666666666667 0.30078828889707 0.49562242359381 39.098 > 1 2 K 0.50000000000000 0.30078828889707 0.49562242359381 39.098 > 1 3 K 0.83333333333333 0.30078828889707 0.49562242359381 39.098 > 1 4 K 0.16666666666667 0.80078828889707 0.49562242359381 39.098 > 1 5 K 0.50000000000000 0.80078828889707 0.49562242359381 39.098 > 1 6 K 0.83333333333333 0.80078828889707 0.49562242359381 39.098 > 1 7 K 0.16666666666667 0.19921171110293 0.99562242359381 39.098 > 7 8 K 0.50000000000000 0.19921171110293 0.99562242359381 39.098 > 7 9 K 0.83333333333333 0.19921171110293 0.99562242359381 39.098 > 7 10 K 0.16666666666667 0.69921171110293 0.99562242359381 39.098 > 7 11 K 0.50000000000000 0.69921171110293 0.99562242359381 39.098 > 7 12 K 0.83333333333333 0.69921171110293 0.99562242359381 39.098 > 7 13 H 0.10282932165940 0.45494031509045 0.17700641119802 1.008 > 13 14 H 0.43616265499274 0.45494031509045 0.17700641119802 1.008 > 13 15 H 0.76949598832607 0.45494031509045 0.17700641119802 1.008 > 13 16 H 0.10282932165940 0.95494031509045 0.17700641119802 1.008 > 13 17 H 0.43616265499274 0.95494031509045 0.17700641119802 1.008 > 13 18 H 0.76949598832607 0.95494031509045 0.17700641119802 1.008 > 13 19 H 0.23050401167393 0.45494031509045 0.17700641119802 1.008 > 19 20 H 0.56383734500726 0.45494031509045 0.17700641119802 1.008 > 19 21 H 0.89717067834060 0.45494031509045 0.17700641119802 1.008 > 19 22 H 0.23050401167393 0.95494031509045 0.17700641119802 1.008 > 19 23 H 0.56383734500726 0.95494031509045 0.17700641119802 1.008 > 19 24 H 0.89717067834060 0.95494031509045 0.17700641119802 1.008 > 19 25 H 0.00000000000000 0.10688680225692 0.29256286825896 1.008 > 25 26 H 0.33333333333333 0.10688680225692 0.29256286825896 1.008 > 25 27 H 0.66666666666667 0.10688680225692 0.29256286825896 1.008 > 25 28 H 0.00000000000000 0.60688680225692 0.29256286825896 1.008 > 25 29 H 0.33333333333333 0.60688680225692 0.29256286825896 1.008 > 25 30 H 0.66666666666667 0.60688680225692 0.29256286825896 1.008 > 25 31 H 0.00000000000000 0.06751220870918 0.46960777509970 1.008 > 31 32 H 0.33333333333333 0.06751220870918 0.46960777509970 1.008 > 31 33 H 0.66666666666667 0.06751220870918 0.46960777509970 1.008 > 31 34 H 0.00000000000000 0.56751220870918 0.46960777509970 1.008 > 31 35 H 0.33333333333333 0.56751220870918 0.46960777509970 1.008 > 31 36 H 0.66666666666667 0.56751220870918 0.46960777509970 1.008 > 31 37 H 0.10282932165940 0.04505968490955 0.67700641119802 1.008 > 37 38 H 0.43616265499274 0.04505968490955 0.67700641119802 1.008 > 37 39 H 0.76949598832607 0.04505968490955 0.67700641119802 1.008 > 37 40 H 0.10282932165940 0.54505968490955 0.67700641119802 1.008 > 37 41 H 0.43616265499274 0.54505968490955 0.67700641119802 1.008 > 37 42 H 0.76949598832607 0.54505968490955 0.67700641119802 1.008 > 37 43 H 0.23050401167393 0.04505968490955 0.67700641119802 1.008 > 43 44 H 0.56383734500726 0.04505968490955 0.67700641119802 1.008 > 43 45 H 0.89717067834060 0.04505968490955 0.67700641119802 1.008 > 43 46 H 0.23050401167393 0.54505968490955 0.67700641119802 1.008 > 43 47 H 0.56383734500726 0.54505968490955 0.67700641119802 1.008 > 43 48 H 0.89717067834060 0.54505968490955 0.67700641119802 1.008 > 43 49 H 0.00000000000000 0.39311319774308 0.79256286825896 1.008 > 49 50 H 0.33333333333333 0.39311319774308 0.79256286825896 1.008 > 49 51 H 0.66666666666667 0.39311319774308 0.79256286825896 1.008 > 49 52 H 0.00000000000000 0.89311319774308 0.79256286825896 1.008 > 49 53 H 0.33333333333333 0.89311319774308 0.79256286825896 1.008 > 49 54 H 0.66666666666667 0.89311319774308 0.79256286825896 1.008 > 49 55 H 0.00000000000000 0.43248779129082 0.96960777509970 1.008 > 55 56 H 0.33333333333333 0.43248779129082 0.96960777509970 1.008 > 55 57 H 0.66666666666667 0.43248779129082 0.96960777509970 1.008 > 55 58 H 0.00000000000000 0.93248779129082 0.96960777509970 1.008 > 55 59 H 0.33333333333333 0.93248779129082 0.96960777509970 1.008 > 55 60 H 0.66666666666667 0.93248779129082 0.96960777509970 1.008 > 55 61 O 0.16666666666667 0.40189749695518 0.20782307046085 15.999 > 61 62 O 0.50000000000000 0.40189749695518 0.20782307046085 15.999 > 61 63 O 0.83333333333333 0.40189749695518 0.20782307046085 15.999 > 61 64 O 0.16666666666667 0.90189749695518 0.20782307046085 15.999 > 61 65 O 0.50000000000000 0.90189749695518 0.20782307046085 15.999 > 61 66 O 0.83333333333333 0.90189749695518 0.20782307046085 15.999 > 61 67 O 0.00000000000000 0.14358770021124 0.39863718610273 15.999 > 67 68 O 0.33333333333333 0.14358770021124 0.39863718610273 15.999 > 67 69 O 0.66666666666667 0.14358770021124 0.39863718610273 15.999 > 67 70 O 0.00000000000000 0.64358770021124 0.39863718610273 15.999 > 67 71 O 0.33333333333333 0.64358770021124 0.39863718610273 15.999 > 67 72 O 0.66666666666667 0.64358770021124 0.39863718610273 15.999 > 67 73 O 0.16666666666667 0.09810250304482 0.70782307046085 15.999 > 73 74 O 0.50000000000000 0.09810250304482 0.70782307046085 15.999 > 73 75 O 0.83333333333333 0.09810250304482 0.70782307046085 15.999 > 73 76 O 0.16666666666667 0.59810250304482 0.70782307046085 15.999 > 73 77 O 0.50000000000000 0.59810250304482 0.70782307046085 15.999 > 73 78 O 0.83333333333333 0.59810250304482 0.70782307046085 15.999 > 73 79 O 0.00000000000000 0.35641229978876 0.89863718610273 15.999 > 79 80 O 0.33333333333333 0.35641229978876 0.89863718610273 15.999 > 79 81 O 0.66666666666667 0.35641229978876 0.89863718610273 15.999 > 79 82 O 0.00000000000000 0.85641229978876 0.89863718610273 15.999 > 79 83 O 0.33333333333333 0.85641229978876 0.89863718610273 15.999 > 79 84 O 0.66666666666667 0.85641229978876 0.89863718610273 15.999 > 79 85 F 0.00000000000000 0.04360940892982 0.11513286408790 18.998 > 85 86 F 0.33333333333333 0.04360940892982 0.11513286408790 18.998 > 85 87 F 0.66666666666667 0.04360940892982 0.11513286408790 18.998 > 85 88 F 0.00000000000000 0.54360940892983 0.11513286408790 18.998 > 85 89 F 0.33333333333333 0.54360940892983 0.11513286408790 18.998 > 85 90 F 0.66666666666667 0.54360940892983 0.11513286408790 18.998 > 85 91 F 0.00000000000000 0.45639059107017 0.61513286408790 18.998 > 91 92 F 0.33333333333333 0.45639059107017 0.61513286408790 18.998 > 91 93 F 0.66666666666667 0.45639059107017 0.61513286408790 18.998 > 91 94 F 0.00000000000000 0.95639059107017 0.61513286408790 18.998 > 91 95 F 0.33333333333333 0.95639059107017 0.61513286408790 18.998 > 91 96 F 0.66666666666667 0.95639059107017 0.61513286408790 18.998 > 91----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 1.9681321 0.0000000 0.0000000 0.0000000 1.9316637 0.0000000 0.0000000 0.0000000 1.9832750-------------------------- Born effective charges -------------------------- 1 K 1.1234214 0.0000000 0.0000000 0.0000000 1.1949827 -0.0038730 0.0000000 0.0006572 1.1012932 2 K 1.1234214 0.0000000 0.0000000 0.0000000 1.1949827 0.0038730 0.0000000 -0.0006572 1.1012932 3 H 0.8411665 -0.3504807 0.1919965 -0.3100358 0.4087417 -0.0508773 0.1717958 -0.0405109 0.3649816 4 H 0.8411665 0.3504807 -0.1919965 0.3100358 0.4087417 -0.0508773 -0.1717958 -0.0405109 0.3649816 5 H 0.3250919 0.0000000 0.0000000 0.0000000 0.3354651 0.2796100 0.0000000 0.2530923 0.9841542 6 H 0.3431547 0.0000000 0.0000000 0.0000000 0.4897892 -0.3434342 0.0000000 -0.4096172 0.7426378 7 H 0.8411665 0.3504807 0.1919965 0.3100358 0.4087417 0.0508773 0.1717958 0.0405109 0.3649816 8 H 0.8411665 -0.3504807 -0.1919965 -0.3100358 0.4087417 0.0508773 -0.1717958 0.0405109 0.3649816 9 H 0.3250919 0.0000000 0.0000000 0.0000000 0.3354651 -0.2796100 0.0000000 -0.2530923 0.9841542 10 H 0.3431547 0.0000000 0.0000000 0.0000000 0.4897892 0.3434342 0.0000000 0.4096172 0.7426378 11 O -1.2645579 0.0000000 0.0000000 0.0000000 -0.8703610 0.0125292 0.0000000 -0.0102459 -0.9576270 12 O -0.9212748 0.0000000 0.0000000 0.0000000 -0.8658847 -0.0112978 0.0000000 0.0671129 -1.2915325 13 O -1.2645579 0.0000000 0.0000000 0.0000000 -0.8703610 -0.0125292 0.0000000 0.0102459 -0.9576270 14 O -0.9212748 0.0000000 0.0000000 0.0000000 -0.8658847 0.0112978 0.0000000 -0.0671129 -1.2915325 15 F -1.2881683 0.0000000 0.0000000 0.0000000 -1.1014748 -0.1489466 0.0000000 -0.1865385 -1.3088890 16 F -1.2881683 0.0000000 0.0000000 0.0000000 -1.1014748 0.1489466 0.0000000 0.1865385 -1.3088890----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: -0.00000003 (zzz) -0.00000003 (zzz) -0.00000003 (zzz)Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330Length for sampling mesh generation: 50.00Generating grid system ... [ 12 10 6 ]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: 0.73, Number of G-points: 289, Lambda: 0.11Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/168) =======================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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 168Calculating 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 1.418 ( 0.000 0.000 0.000) 0.000 2.249 ( 0.000 0.000 -0.000) 0.000 2.826 ( 0.000 0.000 0.000) 0.000 3.143 ( 0.000 0.000 0.000) 0.000 3.356 ( 0.000 0.000 0.000) 0.000 3.693 ( 0.000 0.000 0.000) 0.000 4.214 ( 0.000 0.000 0.000) 0.000 4.656 ( 0.000 0.000 -0.000) 0.000 4.767 ( 0.000 0.000 -0.000) 0.000 4.929 ( 0.000 0.000 0.000) 0.000 4.947 ( 0.000 0.000 0.000) 0.000 5.588 ( 0.000 0.000 0.000) 0.000 5.724 ( 0.000 0.000 -0.000) 0.000 6.169 ( 0.000 0.000 0.000) 0.000 6.498 ( 0.000 0.000 -0.000) 0.000 7.501 ( 0.000 0.000 0.000) 0.000 7.547 ( 0.000 0.000 0.000) 0.000 7.970 ( 0.000 0.000 0.000) 0.000 8.819 ( 0.000 0.000 0.000) 0.000 8.846 ( 0.000 0.000 0.000) 0.000 9.219 ( 0.000 0.000 0.000) 0.000 18.947 ( 0.000 0.000 -0.000) 0.000 19.711 ( 0.000 0.000 0.000) 0.000 20.180 ( 0.000 0.000 0.000) 0.000 20.399 ( 0.000 0.000 0.000) 0.000 20.429 ( 0.000 0.000 -0.000) 0.000 20.661 ( 0.000 0.000 -0.000) 0.000 21.895 ( 0.000 0.000 0.000) 0.000 22.610 ( 0.000 0.000 0.000) 0.000 23.575 ( 0.000 0.000 0.000) 0.000 25.732 ( 0.000 0.000 0.000) 0.000 25.811 ( 0.000 0.000 0.000) 0.000 25.833 ( 0.000 0.000 0.000) 0.000 47.873 ( 0.000 0.000 -0.000) 0.000 48.508 ( 0.000 0.000 -0.000) 0.000 49.555 ( 0.000 0.000 0.000) 0.000 50.035 ( 0.000 0.000 0.000) 0.000 97.377 ( 0.000 0.000 0.000) 0.000 97.387 ( 0.000 0.000 0.000) 0.000 97.693 ( 0.000 0.000 -0.000) 0.000 97.965 ( 0.000 0.000 0.000) 0.000 99.241 ( 0.000 0.000 0.000) 0.000 99.382 ( 0.000 0.000 -0.000) 0.000 101.733 ( 0.000 0.000 0.000) 0.000 103.643 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/168) =======================q-point: ( 0.08 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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 144Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.399 ( 19.830 0.000 0.000) 19.830 0.506 ( 25.094 0.000 0.000) 25.094 0.932 ( 45.079 0.000 0.000) 45.079 1.638 ( 19.530 0.000 0.000) 19.530 2.258 ( 1.172 0.000 0.000) 1.172 2.907 ( 7.130 0.000 0.000) 7.130 3.316 ( -2.982 0.000 0.000) 2.982 3.523 ( 9.245 0.000 0.000) 9.245 3.685 ( -0.319 0.000 0.000) 0.319 4.181 ( -3.042 0.000 0.000) 3.042 4.630 ( -2.791 0.000 0.000) 2.791 4.679 ( -6.175 0.000 0.000) 6.175 4.988 ( 3.211 0.000 0.000) 3.211 5.488 ( -1.438 0.000 0.000) 1.438 5.617 ( 2.466 0.000 0.000) 2.466 5.703 ( -1.651 0.000 0.000) 1.651 6.117 ( -4.292 0.000 0.000) 4.292 6.491 ( -0.673 0.000 0.000) 0.673 7.641 ( 12.599 0.000 0.000) 12.599 7.960 ( -0.921 0.000 0.000) 0.921 8.472 ( 0.208 0.000 0.000) 0.208 8.807 ( -3.651 0.000 0.000) 3.651 8.815 ( -0.284 0.000 0.000) 0.284 9.168 ( -4.800 0.000 0.000) 4.800 18.931 ( -1.572 0.000 0.000) 1.572 19.719 ( -1.436 0.000 0.000) 1.436 20.130 ( -3.296 0.000 0.000) 3.296 20.285 ( -10.499 0.000 0.000) 10.499 20.661 ( 16.123 0.000 0.000) 16.123 20.858 ( 15.948 0.000 0.000) 15.948 22.703 ( 8.677 0.000 0.000) 8.677 23.591 ( 1.461 0.000 0.000) 1.461 23.789 ( 1.007 0.000 0.000) 1.007 25.576 ( -7.394 0.000 0.000) 7.394 25.888 ( 4.178 0.000 0.000) 4.178 26.067 ( 14.894 0.000 0.000) 14.894 47.872 ( -0.054 0.000 0.000) 0.054 48.511 ( 0.281 0.000 0.000) 0.281 49.481 ( -7.120 0.000 0.000) 7.120 49.943 ( -9.008 0.000 0.000) 9.008 97.425 ( 3.526 0.000 0.000) 3.526 97.700 ( 0.714 0.000 0.000) 0.714 97.961 ( -0.216 0.000 0.000) 0.216 99.210 ( -3.544 0.000 0.000) 3.544 99.341 ( -3.909 0.000 0.000) 3.909 99.487 ( -4.449 0.000 0.000) 4.449 101.809 ( 7.145 0.000 0.000) 7.145 103.664 ( 2.070 0.000 0.000) 2.070======================= Grid point 2 (3/168) =======================q-point: ( 0.17 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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.796 ( 19.548 0.000 0.000) 19.548 1.008 ( 24.600 0.000 0.000) 24.600 1.790 ( 39.259 0.000 0.000) 39.259 2.095 ( 23.475 0.000 0.000) 23.475 2.306 ( 3.787 0.000 0.000) 3.787 3.046 ( 4.919 0.000 0.000) 4.919 3.240 ( -4.434 0.000 0.000) 4.434 3.718 ( 4.446 0.000 0.000) 4.446 3.756 ( 12.888 0.000 0.000) 12.888 4.105 ( -3.906 0.000 0.000) 3.906 4.532 ( -6.003 0.000 0.000) 6.003 4.578 ( -4.247 0.000 0.000) 4.247 5.013 ( -0.757 0.000 0.000) 0.757 5.454 ( -1.824 0.000 0.000) 1.824 5.672 ( 2.700 0.000 0.000) 2.700 5.678 ( -0.575 0.000 0.000) 0.575 6.029 ( -3.926 0.000 0.000) 3.926 6.472 ( -1.206 0.000 0.000) 1.206 7.934 ( -1.643 0.000 0.000) 1.643 7.942 ( 15.835 0.000 0.000) 15.835 8.465 ( -1.473 0.000 0.000) 1.473 8.718 ( -4.373 0.000 0.000) 4.373 8.812 ( 0.131 0.000 0.000) 0.131 9.042 ( -7.158 0.000 0.000) 7.158 18.889 ( -2.410 0.000 0.000) 2.410 19.683 ( -2.037 0.000 0.000) 2.037 20.057 ( -11.667 0.000 0.000) 11.667 20.073 ( -2.289 0.000 0.000) 2.289 21.080 ( 24.741 0.000 0.000) 24.741 21.258 ( 23.298 0.000 0.000) 23.298 22.928 ( 12.839 0.000 0.000) 12.839 23.630 ( 2.372 0.000 0.000) 2.372 23.814 ( 1.312 0.000 0.000) 1.312 25.472 ( -2.951 0.000 0.000) 2.951 26.005 ( 7.120 0.000 0.000) 7.120 26.378 ( 15.518 0.000 0.000) 15.518 47.874 ( 0.273 0.000 0.000) 0.273 48.519 ( 0.489 0.000 0.000) 0.489 49.279 ( -12.546 0.000 0.000) 12.546 49.686 ( -16.090 0.000 0.000) 16.090 97.509 ( 4.129 0.000 0.000) 4.129 97.722 ( 1.546 0.000 0.000) 1.546 97.965 ( 0.859 0.000 0.000) 0.859 99.077 ( -9.695 0.000 0.000) 9.695 99.235 ( -6.274 0.000 0.000) 6.274 99.407 ( -2.810 0.000 0.000) 2.810 101.996 ( 10.721 0.000 0.000) 10.721 103.725 ( 3.873 0.000 0.000) 3.873======================= Grid point 3 (4/168) =======================q-point: ( 0.25 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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 144Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.183 ( 18.677 0.000 0.000) 18.677 1.492 ( 23.342 0.000 0.000) 23.342 2.375 ( 9.620 0.000 0.000) 9.620 2.507 ( 23.345 0.000 0.000) 23.345 2.515 ( 16.863 0.000 0.000) 16.863 3.087 ( 0.414 0.000 0.000) 0.414 3.159 ( -2.262 0.000 0.000) 2.262 3.837 ( 4.967 0.000 0.000) 4.967 3.943 ( 1.325 0.000 0.000) 1.325 4.106 ( 8.087 0.000 0.000) 8.087 4.433 ( -2.817 0.000 0.000) 2.817 4.491 ( -4.167 0.000 0.000) 4.167 4.981 ( -1.594 0.000 0.000) 1.594 5.420 ( -1.499 0.000 0.000) 1.499 5.661 ( -1.867 0.000 0.000) 1.867 5.719 ( 2.006 0.000 0.000) 2.006 5.977 ( -0.953 0.000 0.000) 0.953 6.441 ( -1.948 0.000 0.000) 1.948 7.896 ( -2.081 0.000 0.000) 2.081 8.232 ( 12.113 0.000 0.000) 12.113 8.390 ( -5.850 0.000 0.000) 5.850 8.666 ( -0.625 0.000 0.000) 0.625 8.826 ( 1.294 0.000 0.000) 1.294 8.906 ( -5.683 0.000 0.000) 5.683 18.840 ( -2.265 0.000 0.000) 2.265 19.643 ( -1.802 0.000 0.000) 1.802 19.832 ( -10.334 0.000 0.000) 10.334 20.034 ( -1.693 0.000 0.000) 1.693 21.626 ( 28.618 0.000 0.000) 28.618 21.767 ( 26.370 0.000 0.000) 26.370 23.188 ( 12.269 0.000 0.000) 12.269 23.681 ( 2.517 0.000 0.000) 2.517 23.834 ( 0.394 0.000 0.000) 0.394 25.448 ( 0.227 0.000 0.000) 0.227 26.161 ( 8.030 0.000 0.000) 8.030 26.675 ( 13.668 0.000 0.000) 13.668 47.888 ( 1.317 0.000 0.000) 1.317 48.530 ( 0.560 0.000 0.000) 0.560 48.997 ( -14.835 0.000 0.000) 14.835 49.318 ( -19.815 0.000 0.000) 19.815 97.567 ( 1.263 0.000 0.000) 1.263 97.764 ( 2.569 0.000 0.000) 2.569 98.007 ( 3.310 0.000 0.000) 3.310 98.845 ( -12.559 0.000 0.000) 12.559 99.104 ( -6.339 0.000 0.000) 6.339 99.371 ( -1.002 0.000 0.000) 1.002 102.217 ( 10.708 0.000 0.000) 10.708 103.814 ( 4.809 0.000 0.000) 4.809======================= Grid point 4 (5/168) =======================q-point: ( 0.33 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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.542 ( 16.754 0.000 0.000) 16.754 1.939 ( 20.618 0.000 0.000) 20.618 2.531 ( 7.685 0.000 0.000) 7.685 2.734 ( 5.227 0.000 0.000) 5.227 2.752 ( -0.883 0.000 0.000) 0.883 3.122 ( 3.072 0.000 0.000) 3.072 3.243 ( 8.958 0.000 0.000) 8.958 3.832 ( -5.351 0.000 0.000) 5.351 3.941 ( 2.097 0.000 0.000) 2.097 4.310 ( 9.311 0.000 0.000) 9.311 4.412 ( -2.770 0.000 0.000) 2.770 4.451 ( 3.155 0.000 0.000) 3.155 4.976 ( 1.471 0.000 0.000) 1.471 5.395 ( -1.036 0.000 0.000) 1.036 5.591 ( -4.881 0.000 0.000) 4.881 5.758 ( 2.092 0.000 0.000) 2.092 5.987 ( 1.512 0.000 0.000) 1.512 6.391 ( -3.090 0.000 0.000) 3.090 7.852 ( -2.182 0.000 0.000) 2.182 8.261 ( -6.187 0.000 0.000) 6.187 8.405 ( 4.922 0.000 0.000) 4.922 8.675 ( 1.051 0.000 0.000) 1.051 8.835 ( -0.839 0.000 0.000) 0.839 8.864 ( 2.138 0.000 0.000) 2.138 18.802 ( -1.505 0.000 0.000) 1.505 19.613 ( -1.166 0.000 0.000) 1.166 19.650 ( -7.478 0.000 0.000) 7.478 20.004 ( -1.268 0.000 0.000) 1.268 22.194 ( 26.715 0.000 0.000) 26.715 22.282 ( 23.657 0.000 0.000) 23.657 23.401 ( 8.440 0.000 0.000) 8.440 23.727 ( 1.902 0.000 0.000) 1.902 23.822 ( -1.672 0.000 0.000) 1.672 25.468 ( 1.495 0.000 0.000) 1.495 26.314 ( 6.781 0.000 0.000) 6.781 26.917 ( 10.031 0.000 0.000) 10.031 47.933 ( 3.327 0.000 0.000) 3.327 48.540 ( 0.358 0.000 0.000) 0.358 48.709 ( -13.050 0.000 0.000) 13.050 48.914 ( -19.590 0.000 0.000) 19.590 97.565 ( -1.022 0.000 0.000) 1.022 97.827 ( 3.703 0.000 0.000) 3.703 98.084 ( 3.826 0.000 0.000) 3.826 98.595 ( -11.854 0.000 0.000) 11.854 98.992 ( -4.497 0.000 0.000) 4.497 99.358 ( -0.402 0.000 0.000) 0.402 102.412 ( 8.299 0.000 0.000) 8.299 103.909 ( 4.371 0.000 0.000) 4.371======================= Grid point 5 (6/168) =======================q-point: ( 0.42 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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 144Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.842 ( 12.394 0.000 0.000) 12.394 2.293 ( 13.243 0.000 0.000) 13.243 2.627 ( -5.095 0.000 0.000) 5.095 2.696 ( 4.548 0.000 0.000) 4.548 2.811 ( 4.902 0.000 0.000) 4.902 3.140 ( -3.190 0.000 0.000) 3.190 3.333 ( -0.222 0.000 0.000) 0.222 3.697 ( -5.951 0.000 0.000) 5.951 4.058 ( 7.633 0.000 0.000) 7.633 4.366 ( -1.529 0.000 0.000) 1.529 4.450 ( 4.519 0.000 0.000) 4.519 4.523 ( 2.848 0.000 0.000) 2.848 5.032 ( 3.436 0.000 0.000) 3.436 5.375 ( -0.988 0.000 0.000) 0.988 5.486 ( -4.871 0.000 0.000) 4.871 5.807 ( 2.507 0.000 0.000) 2.507 6.018 ( 1.286 0.000 0.000) 1.286 6.323 ( -3.248 0.000 0.000) 3.248 7.813 ( -1.575 0.000 0.000) 1.575 8.162 ( -3.412 0.000 0.000) 3.412 8.451 ( 0.539 0.000 0.000) 0.539 8.696 ( 0.829 0.000 0.000) 0.829 8.854 ( 1.946 0.000 0.000) 1.946 8.902 ( 1.237 0.000 0.000) 1.237 18.780 ( -0.672 0.000 0.000) 0.672 19.535 ( -3.890 0.000 0.000) 3.890 19.596 ( -0.522 0.000 0.000) 0.522 19.984 ( -0.712 0.000 0.000) 0.712 22.657 ( 17.992 0.000 0.000) 17.992 22.679 ( 14.713 0.000 0.000) 14.713 23.520 ( 3.462 0.000 0.000) 3.462 23.741 ( -1.597 0.000 0.000) 1.597 23.781 ( -0.890 0.000 0.000) 0.890 25.497 ( 1.172 0.000 0.000) 1.172 26.423 ( 3.839 0.000 0.000) 3.839 27.072 ( 5.270 0.000 0.000) 5.270 48.028 ( 6.024 0.000 0.000) 6.024 48.485 ( -7.205 0.000 0.000) 7.205 48.554 ( -15.531 0.000 0.000) 15.531 48.555 ( -0.271 0.000 0.000) 0.271 97.541 ( -1.088 0.000 0.000) 1.088 97.909 ( 4.138 0.000 0.000) 4.138 98.145 ( 2.105 0.000 0.000) 2.105 98.384 ( -8.614 0.000 0.000) 8.614 98.927 ( -2.042 0.000 0.000) 2.042 99.353 ( -0.154 0.000 0.000) 0.154 102.542 ( 4.479 0.000 0.000) 4.479 103.981 ( 2.588 0.000 0.000) 2.588======================= Grid point 6 (7/168) =======================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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 96Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.986 ( 0.000 0.000 0.000) 0.000 2.427 ( 0.000 0.000 0.000) 0.000 2.542 ( 0.000 0.000 0.000) 0.000 2.765 ( 0.000 0.000 0.000) 0.000 2.950 ( 0.000 0.000 0.000) 0.000 3.012 ( -0.000 0.000 0.000) 0.000 3.314 ( 0.000 0.000 0.000) 0.000 3.637 ( 0.000 0.000 0.000) 0.000 4.150 ( 0.000 0.000 0.000) 0.000 4.351 ( 0.000 0.000 0.000) 0.000 4.494 ( 0.000 0.000 0.000) 0.000 4.552 ( 0.000 0.000 0.000) 0.000 5.077 ( 0.000 0.000 0.000) 0.000 5.363 ( -0.000 0.000 0.000) 0.000 5.428 ( 0.000 0.000 0.000) 0.000 5.838 ( 0.000 0.000 0.000) 0.000 6.032 ( 0.000 0.000 0.000) 0.000 6.284 ( 0.000 0.000 0.000) 0.000 7.796 ( 0.000 0.000 0.000) 0.000 8.127 ( 0.000 0.000 0.000) 0.000 8.454 ( 0.000 0.000 0.000) 0.000 8.705 ( 0.000 0.000 0.000) 0.000 8.882 ( 0.000 0.000 0.000) 0.000 8.911 ( 0.000 0.000 0.000) 0.000 18.774 ( 0.000 0.000 0.000) 0.000 19.496 ( 0.000 0.000 0.000) 0.000 19.591 ( 0.000 0.000 0.000) 0.000 19.977 ( 0.000 0.000 0.000) 0.000 22.834 ( 0.000 0.000 0.000) 0.000 22.854 ( 0.000 0.000 0.000) 0.000 23.551 ( 0.000 0.000 0.000) 0.000 23.704 ( 0.000 0.000 0.000) 0.000 23.781 ( 0.000 0.000 0.000) 0.000 25.510 ( 0.000 0.000 0.000) 0.000 26.462 ( 0.000 0.000 0.000) 0.000 27.125 ( 0.000 0.000 0.000) 0.000 48.130 ( 0.000 0.000 0.000) 0.000 48.353 ( 0.000 0.000 0.000) 0.000 48.408 ( 0.000 0.000 0.000) 0.000 48.555 ( 0.000 0.000 0.000) 0.000 97.529 ( 0.000 0.000 0.000) 0.000 97.962 ( 0.000 0.000 0.000) 0.000 98.166 ( 0.000 0.000 0.000) 0.000 98.284 ( 0.000 0.000 0.000) 0.000 98.907 ( 0.000 0.000 0.000) 0.000 99.351 ( 0.000 0.000 0.000) 0.000 102.588 ( 0.000 0.000 0.000) 0.000 104.008 ( 0.000 0.000 0.000) 0.000======================= Grid point 13 (8/168) =======================q-point: ( 0.00 0.10 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.473 ( 0.000 23.915 0.000) 23.915 0.521 ( 0.000 26.827 0.000) 26.827 0.844 ( 0.000 42.744 0.000) 42.744 1.460 ( 0.000 4.108 0.000) 4.108 2.175 ( 0.000 -7.056 0.000) 7.056 2.803 ( 0.000 -2.320 0.000) 2.320 3.107 ( 0.000 -3.659 0.000) 3.659 3.297 ( 0.000 -5.983 0.000) 5.983 3.650 ( 0.000 -5.530 0.000) 5.530 4.256 ( 0.000 3.982 0.000) 3.982 4.714 ( 0.000 0.520 0.000) 0.520 4.930 ( 0.000 0.080 0.000) 0.080 4.946 ( 0.000 -0.124 0.000) 0.124 5.479 ( 0.000 -8.131 0.000) 8.131 5.769 ( 0.000 2.593 0.000) 2.593 5.941 ( 0.000 -4.144 0.000) 4.144 6.451 ( 0.000 -4.443 0.000) 4.443 6.609 ( 0.000 3.076 0.000) 3.076 7.502 ( 0.000 0.184 0.000) 0.184 7.544 ( 0.000 -0.296 0.000) 0.296 7.993 ( 0.000 2.129 0.000) 2.129 8.805 ( 0.000 -0.902 0.000) 0.902 8.888 ( 0.000 3.053 0.000) 3.053 9.381 ( 0.000 -0.137 0.000) 0.137 18.943 ( 0.000 -0.433 0.000) 0.433 19.695 ( 0.000 -1.581 0.000) 1.581 20.161 ( 0.000 -1.959 0.000) 1.959 20.401 ( 0.000 0.165 0.000) 0.165 20.437 ( 0.000 0.875 0.000) 0.875 20.897 ( 0.000 -1.001 0.000) 1.001 21.899 ( 0.000 0.405 0.000) 0.405 22.617 ( 0.000 0.654 0.000) 0.654 23.579 ( 0.000 0.313 0.000) 0.313 25.820 ( 0.000 0.882 0.000) 0.882 25.820 ( 0.000 -3.646 0.000) 3.646 25.846 ( 0.000 1.248 0.000) 1.248 47.893 ( 0.000 0.049 0.000) 0.049 48.505 ( 0.000 -0.318 0.000) 0.318 49.557 ( 0.000 0.204 0.000) 0.204 50.249 ( 0.000 -0.397 0.000) 0.397 97.378 ( 0.000 0.156 0.000) 0.156 97.389 ( 0.000 0.186 0.000) 0.186 97.705 ( 0.000 1.255 0.000) 1.255 98.453 ( 0.000 -0.884 0.000) 0.884 99.243 ( 0.000 0.116 0.000) 0.116 99.777 ( 0.000 -6.613 0.000) 6.613 101.778 ( 0.000 4.217 0.000) 4.217 103.924 ( 0.000 -1.920 0.000) 1.920======================= Grid point 14 (9/168) =======================q-point: ( 0.08 0.10 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 240Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.622 ( 11.200 18.676 0.000) 21.777 0.676 ( 15.267 16.499 0.000) 22.479 1.254 ( 33.280 27.693 0.000) 43.295 1.675 ( 18.994 3.616 0.000) 19.335 2.192 ( 2.065 -6.218 0.000) 6.552 2.889 ( 7.252 -1.989 0.000) 7.520 3.246 ( -0.333 -6.609 0.000) 6.617 3.370 ( 13.842 -9.132 0.000) 16.583 3.647 ( 0.243 -4.912 0.000) 4.918 4.211 ( -3.967 3.385 0.000) 5.215 4.672 ( -3.374 1.092 0.000) 3.546 4.813 ( -9.941 6.757 0.000) 12.020 4.980 ( 2.356 -0.630 0.000) 2.439 5.492 ( 1.342 -6.389 0.000) 6.529 5.623 ( -14.888 4.164 0.000) 15.460 5.766 ( -0.638 3.511 0.000) 3.569 6.155 ( -8.499 2.968 0.000) 9.002 6.528 ( -1.513 3.691 0.000) 3.989 7.637 ( 11.800 -0.317 0.000) 11.804 7.980 ( -1.009 1.742 0.000) 2.013 8.144 ( 20.815 -19.753 0.000) 28.696 8.790 ( -1.741 -0.684 0.000) 1.871 8.855 ( -2.578 2.745 0.000) 3.766 9.256 ( -8.788 3.804 0.000) 9.576 18.928 ( -1.481 -0.316 0.000) 1.514 19.692 ( -1.015 -2.265 0.000) 2.481 20.115 ( -3.309 -1.570 0.000) 3.663 20.307 ( -10.758 1.489 0.000) 10.861 20.622 ( 17.080 -2.427 0.000) 17.252 20.925 ( 12.967 4.751 0.000) 13.810 22.701 ( 8.600 -0.648 0.000) 8.624 22.931 ( 46.023 -45.751 0.000) 64.894 23.593 ( 1.427 0.260 0.000) 1.450 25.586 ( -9.170 -0.529 0.000) 9.185 25.876 ( 4.983 0.461 0.000) 5.004 26.114 ( 13.834 0.861 0.000) 13.860 47.883 ( -0.555 0.534 0.000) 0.770 48.506 ( 0.162 -0.434 0.000) 0.464 49.483 ( -7.191 0.132 0.000) 7.192 50.045 ( -14.362 5.220 0.000) 15.282 97.426 ( 3.418 0.050 0.000) 3.419 97.708 ( 1.083 0.135 0.000) 1.092 97.795 ( 14.276 -12.176 0.000) 18.763 98.674 ( 14.879 -21.225 0.000) 25.921 99.242 ( -0.064 -0.061 0.000) 0.089 99.654 ( -10.131 -1.700 0.000) 10.272 101.841 ( 6.266 3.384 0.000) 7.121 103.792 ( -5.883 5.244 0.000) 7.881======================= Grid point 15 (10/168) =======================q-point: ( 0.17 0.10 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 240Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.894 ( 15.245 9.474 0.000) 17.948 1.048 ( 20.369 5.366 0.000) 21.064 1.965 ( 34.165 15.795 0.000) 37.640 2.104 ( 20.242 0.824 0.000) 20.259 2.281 ( 8.360 -1.794 0.000) 8.551 3.025 ( 4.338 -2.324 0.000) 4.921 3.195 ( -3.059 -4.515 0.000) 5.453 3.663 ( 12.637 -5.775 0.000) 13.894 3.702 ( 7.248 -4.839 0.000) 8.715 4.115 ( -5.091 1.421 0.000) 5.285 4.594 ( -4.079 1.695 0.000) 4.417 4.624 ( -8.044 7.035 0.000) 10.686 4.989 ( -1.539 -2.032 0.000) 2.549 5.450 ( -3.944 -1.248 0.000) 4.136 5.555 ( 3.398 -6.104 0.000) 6.986 5.763 ( 0.132 3.637 0.000) 3.640 6.030 ( -4.832 0.012 0.000) 4.832 6.494 ( -1.932 2.120 0.000) 2.868 7.918 ( 13.646 -1.723 0.000) 13.755 7.952 ( -0.589 1.290 0.000) 1.418 8.369 ( 4.778 -8.134 0.000) 9.434 8.727 ( -3.730 0.814 0.000) 3.818 8.820 ( -0.694 0.816 0.000) 1.071 9.076 ( -8.913 2.470 0.000) 9.249 18.888 ( -2.327 -0.120 0.000) 2.330 19.659 ( -2.045 -2.182 0.000) 2.990 20.037 ( -6.330 -1.840 0.000) 6.592 20.094 ( -7.650 1.752 0.000) 7.848 21.047 ( 24.693 -2.443 0.000) 24.813 21.309 ( 23.390 4.231 0.000) 23.770 22.917 ( 12.292 -1.158 0.000) 12.346 23.486 ( 14.975 -26.919 0.000) 30.804 23.634 ( 2.560 0.128 0.000) 2.564 25.463 ( -3.372 -1.036 0.000) 3.528 26.005 ( 7.459 0.357 0.000) 7.468 26.400 ( 14.420 1.158 0.000) 14.466 47.878 ( 0.074 0.304 0.000) 0.313 48.512 ( 0.387 -0.676 0.000) 0.778 49.279 ( -12.659 -0.056 0.000) 12.659 49.724 ( -17.730 3.121 0.000) 18.002 97.507 ( 4.026 -0.176 0.000) 4.030 97.729 ( 1.314 0.491 0.000) 1.403 97.936 ( 3.478 -2.761 0.000) 4.441 98.819 ( -0.249 -18.452 0.000) 18.454 99.226 ( -2.602 -0.342 0.000) 2.624 99.452 ( -8.086 0.291 0.000) 8.091 102.013 ( 10.130 1.790 0.000) 10.287 103.757 ( 1.453 2.314 0.000) 2.733======================= Grid point 16 (11/168) =======================q-point: ( 0.25 0.10 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 240Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.216 ( 16.363 3.469 0.000) 16.727 1.471 ( 21.270 -1.127 0.000) 21.300 2.331 ( 8.437 -3.928 0.000) 9.307 2.570 ( 18.109 6.627 0.000) 19.284 2.589 ( 19.295 5.510 0.000) 20.066 3.037 ( -1.297 -4.395 0.000) 4.583 3.174 ( 2.351 0.999 0.000) 2.555 3.816 ( 4.601 -2.749 0.000) 5.360 3.920 ( 5.875 -2.334 0.000) 6.321 4.050 ( 2.666 -4.082 0.000) 4.876 4.496 ( -4.650 3.374 0.000) 5.745 4.527 ( -1.695 5.081 0.000) 5.356 4.945 ( -1.857 -3.100 0.000) 3.614 5.394 ( -1.975 -3.017 0.000) 3.606 5.622 ( 2.327 -2.306 0.000) 3.276 5.754 ( -1.171 2.310 0.000) 2.590 5.968 ( -0.959 -0.847 0.000) 1.280 6.449 ( -2.583 0.766 0.000) 2.694 7.908 ( -2.201 1.134 0.000) 2.476 8.189 ( 10.256 -3.557 0.000) 10.855 8.386 ( -1.859 -0.844 0.000) 2.041 8.685 ( -0.197 1.638 0.000) 1.649 8.822 ( 0.860 -0.366 0.000) 0.935 8.913 ( -6.654 0.608 0.000) 6.682 18.841 ( -2.209 0.036 0.000) 2.209 19.616 ( -2.103 -2.329 0.000) 3.138 19.849 ( -9.445 1.319 0.000) 9.536 20.022 ( -2.199 -1.105 0.000) 2.461 21.589 ( 28.162 -2.701 0.000) 28.292 21.824 ( 26.759 4.504 0.000) 27.136 23.167 ( 11.849 -2.124 0.000) 12.038 23.663 ( 3.951 -8.343 0.000) 9.232 23.704 ( 4.411 -5.163 0.000) 6.791 25.434 ( 0.114 -1.367 0.000) 1.372 26.164 ( 8.046 0.385 0.000) 8.055 26.680 ( 13.026 0.210 0.000) 13.028 47.889 ( 1.220 0.083 0.000) 1.223 48.520 ( 0.463 -0.895 0.000) 1.008 48.994 ( -14.970 -0.306 0.000) 14.973 49.335 ( -20.432 1.610 0.000) 20.496 97.564 ( 1.292 -0.240 0.000) 1.314 97.764 ( 2.271 -0.024 0.000) 2.271 98.004 ( 3.741 -0.259 0.000) 3.750 98.724 ( -7.907 -10.300 0.000) 12.985 99.116 ( -6.983 0.358 0.000) 6.993 99.367 ( -1.416 -0.678 0.000) 1.570 102.225 ( 10.411 0.812 0.000) 10.443 103.819 ( 4.162 0.387 0.000) 4.179======================= Grid point 17 (12/168) =======================q-point: ( 0.33 0.10 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 240Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.540 ( 15.473 -0.060 0.000) 15.473 1.891 ( 19.963 -4.231 0.000) 20.407 2.503 ( 8.800 -2.394 0.000) 9.120 2.736 ( -2.844 -1.653 0.000) 3.289 2.778 ( 3.314 3.572 0.000) 4.872 3.090 ( 5.816 -1.877 0.000) 6.111 3.302 ( 6.754 4.379 0.000) 8.050 3.805 ( -5.165 -3.001 0.000) 5.973 3.932 ( 2.012 -0.573 0.000) 2.092 4.224 ( 8.655 -5.704 0.000) 10.366 4.434 ( -1.226 1.644 0.000) 2.051 4.542 ( 2.267 6.666 0.000) 7.041 4.944 ( 2.089 -2.884 0.000) 3.562 5.364 ( -1.184 -2.989 0.000) 3.215 5.604 ( -4.130 1.196 0.000) 4.299 5.756 ( 1.925 -0.342 0.000) 1.955 5.983 ( 1.821 -0.330 0.000) 1.851 6.389 ( -3.433 -0.188 0.000) 3.438 7.863 ( -2.165 1.063 0.000) 2.412 8.236 ( -3.965 -2.116 0.000) 4.494 8.420 ( 4.532 1.113 0.000) 4.667 8.687 ( -0.327 1.166 0.000) 1.211 8.835 ( -0.587 -0.141 0.000) 0.604 8.854 ( 1.931 -1.085 0.000) 2.215 18.803 ( -1.490 0.114 0.000) 1.495 19.574 ( -2.282 -2.477 0.000) 3.368 19.690 ( -5.990 2.503 0.000) 6.492 19.984 ( -1.590 -1.990 0.000) 2.547 22.142 ( 25.652 -3.338 0.000) 25.869 22.350 ( 24.543 4.879 0.000) 25.023 23.372 ( 8.164 -2.816 0.000) 8.635 23.712 ( 1.235 -4.032 0.000) 4.217 23.767 ( 1.654 -2.583 0.000) 3.068 25.453 ( 1.461 -1.493 0.000) 2.089 26.316 ( 6.682 0.211 0.000) 6.686 26.912 ( 9.682 -0.557 0.000) 9.698 47.933 ( 3.298 -0.030 0.000) 3.298 48.529 ( 0.307 -1.070 0.000) 1.113 48.703 ( -13.226 -0.588 0.000) 13.239 48.923 ( -19.869 0.851 0.000) 19.887 97.563 ( -0.985 -0.163 0.000) 0.999 97.821 ( 3.331 -0.641 0.000) 3.392 98.082 ( 3.720 -0.090 0.000) 3.721 98.540 ( -9.657 -5.133 0.000) 10.936 98.993 ( -4.833 -0.142 0.000) 4.835 99.354 ( -0.252 -0.460 0.000) 0.524 102.415 ( 8.186 0.381 0.000) 8.195 103.907 ( 4.234 -0.189 0.000) 4.238======================= Grid point 18 (13/168) =======================q-point: ( 0.42 0.10 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 240Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.821 ( 11.763 -2.009 0.000) 11.934 2.246 ( 14.049 -4.397 0.000) 14.722 2.595 ( -6.017 -3.347 0.000) 6.886 2.700 ( 7.709 -0.555 0.000) 7.729 2.814 ( 1.806 1.240 0.000) 2.191 3.144 ( -3.011 0.339 0.000) 3.030 3.323 ( -2.546 -1.345 0.000) 2.880 3.686 ( -4.918 -0.990 0.000) 5.017 4.044 ( 6.843 -1.263 0.000) 6.959 4.314 ( 0.901 -3.733 0.000) 3.840 4.474 ( 4.471 1.891 0.000) 4.854 4.576 ( 0.601 4.236 0.000) 4.279 5.014 ( 3.920 -1.603 0.000) 4.235 5.345 ( -0.506 -2.508 0.000) 2.559 5.502 ( -5.057 1.227 0.000) 5.204 5.808 ( 2.625 0.047 0.000) 2.625 6.022 ( 1.725 0.336 0.000) 1.757 6.316 ( -3.403 -0.616 0.000) 3.459 7.825 ( -1.484 1.208 0.000) 1.913 8.157 ( -3.053 -0.473 0.000) 3.089 8.476 ( 1.086 2.331 0.000) 2.571 8.682 ( 0.181 -1.103 0.000) 1.118 8.857 ( 1.932 -0.004 0.000) 1.932 8.889 ( 1.154 -1.198 0.000) 1.664 18.781 ( -0.681 0.120 0.000) 0.692 19.523 ( -2.419 -0.961 0.000) 2.603 19.615 ( -1.800 1.590 0.000) 2.402 19.959 ( -0.891 -2.532 0.000) 2.684 22.575 ( 16.183 -4.072 0.000) 16.687 22.773 ( 16.423 5.300 0.000) 17.257 23.487 ( 3.297 -3.256 0.000) 4.634 23.702 ( -2.113 -4.209 0.000) 4.710 23.788 ( 0.794 1.145 0.000) 1.393 25.482 ( 1.166 -1.532 0.000) 1.925 26.423 ( 3.758 -0.001 0.000) 3.758 27.062 ( 5.117 -0.992 0.000) 5.212 48.028 ( 6.079 -0.005 0.000) 6.079 48.479 ( -7.374 -0.593 0.000) 7.398 48.531 ( -4.735 -1.475 0.000) 4.960 48.568 ( -11.214 0.473 0.000) 11.224 97.540 ( -1.072 -0.109 0.000) 1.078 97.893 ( 3.539 -1.604 0.000) 3.885 98.142 ( 1.994 -0.339 0.000) 2.023 98.362 ( -7.346 -2.062 0.000) 7.630 98.924 ( -2.103 -0.346 0.000) 2.131 99.351 ( -0.068 -0.208 0.000) 0.219 102.544 ( 4.451 0.241 0.000) 4.457 103.978 ( 2.577 -0.291 0.000) 2.594======================= Grid point 19 (14/168) =======================q-point: (-0.50 0.10 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.958 ( 0.000 -2.726 0.000) 2.726 2.396 ( -0.000 -2.908 0.000) 2.908 2.507 ( 0.000 -3.427 0.000) 3.427 2.801 ( 0.000 3.353 0.000) 3.353 2.902 ( 0.000 -5.196 0.000) 5.196 3.011 ( -0.000 -0.121 0.000) 0.121 3.296 ( 0.000 -1.388 0.000) 1.388 3.636 ( 0.000 -0.190 0.000) 0.190 4.123 ( 0.000 -2.444 0.000) 2.444 4.318 ( 0.000 -2.575 0.000) 2.575 4.542 ( 0.000 3.952 0.000) 3.952 4.567 ( 0.000 1.274 0.000) 1.274 5.061 ( 0.000 -1.306 0.000) 1.306 5.345 ( 0.000 -1.853 0.000) 1.853 5.439 ( 0.000 1.036 0.000) 1.036 5.839 ( 0.000 0.089 0.000) 0.089 6.042 ( 0.000 0.896 0.000) 0.896 6.276 ( 0.000 -0.806 0.000) 0.806 7.809 ( 0.000 1.318 0.000) 1.318 8.125 ( 0.000 -0.181 0.000) 0.181 8.484 ( 0.000 2.869 0.000) 2.869 8.687 ( 0.000 -1.603 0.000) 1.603 8.887 ( 0.000 0.322 0.000) 0.322 8.894 ( -0.000 -1.705 0.000) 1.705 18.775 ( 0.000 0.110 0.000) 0.110 19.496 ( 0.000 0.011 0.000) 0.011 19.599 ( 0.000 0.822 0.000) 0.822 19.949 ( 0.000 -2.725 0.000) 2.725 22.747 ( 0.000 -4.321 0.000) 4.321 22.954 ( 0.000 5.502 0.000) 5.502 23.517 ( 0.000 -3.440 0.000) 3.440 23.668 ( 0.000 -3.595 0.000) 3.595 23.797 ( 0.000 1.601 0.000) 1.601 25.494 ( 0.000 -1.539 0.000) 1.539 26.461 ( 0.000 -0.091 0.000) 0.091 27.114 ( 0.000 -1.130 0.000) 1.130 48.132 ( 0.000 0.178 0.000) 0.178 48.351 ( 0.000 -0.201 0.000) 0.201 48.401 ( 0.000 -0.670 0.000) 0.670 48.544 ( 0.000 -1.161 0.000) 1.161 97.528 ( 0.000 -0.093 0.000) 0.093 97.937 ( 0.000 -2.479 0.000) 2.479 98.161 ( 0.000 -0.452 0.000) 0.452 98.278 ( 0.000 -0.590 0.000) 0.590 98.903 ( 0.000 -0.378 0.000) 0.378 99.350 ( 0.000 -0.123 0.000) 0.123 102.590 ( 0.000 0.215 0.000) 0.215 104.005 ( 0.000 -0.293 0.000) 0.293======================= Grid point 26 (15/168) =======================q-point: ( 0.00 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.927 ( 0.000 22.487 0.000) 22.487 1.031 ( 0.000 25.362 0.000) 25.362 1.571 ( 0.000 6.995 0.000) 6.995 1.666 ( 0.000 41.080 0.000) 41.080 2.005 ( 0.000 -9.261 0.000) 9.261 2.737 ( 0.000 -4.304 0.000) 4.304 3.002 ( 0.000 -6.921 0.000) 6.921 3.127 ( 0.000 -11.159 0.000) 11.159 3.489 ( 0.000 -10.874 0.000) 10.874 4.350 ( 0.000 5.144 0.000) 5.144 4.726 ( 0.000 0.578 0.000) 0.578 4.932 ( 0.000 0.053 0.000) 0.053 4.943 ( 0.000 -0.160 0.000) 0.160 5.324 ( 0.000 -7.193 0.000) 7.193 5.738 ( 0.000 -9.281 0.000) 9.281 5.858 ( 0.000 -0.994 0.000) 0.994 6.358 ( 0.000 -4.212 0.000) 4.212 6.679 ( 0.000 3.642 0.000) 3.642 7.507 ( 0.000 0.293 0.000) 0.293 7.536 ( 0.000 -0.477 0.000) 0.477 8.039 ( 0.000 2.274 0.000) 2.274 8.798 ( 0.000 0.223 0.000) 0.223 8.954 ( 0.000 3.556 0.000) 3.556 9.377 ( 0.000 -0.269 0.000) 0.269 18.932 ( 0.000 -0.684 0.000) 0.684 19.654 ( 0.000 -2.405 0.000) 2.405 20.106 ( 0.000 -3.506 0.000) 3.506 20.405 ( 0.000 0.273 0.000) 0.273 20.460 ( 0.000 1.340 0.000) 1.340 20.875 ( 0.000 -1.124 0.000) 1.124 21.909 ( 0.000 0.622 0.000) 0.622 22.634 ( 0.000 0.975 0.000) 0.975 23.586 ( 0.000 0.384 0.000) 0.384 25.726 ( 0.000 -5.651 0.000) 5.651 25.845 ( 0.000 1.613 0.000) 1.613 25.877 ( 0.000 1.851 0.000) 1.851 47.895 ( 0.000 0.104 0.000) 0.104 48.496 ( 0.000 -0.593 0.000) 0.593 49.562 ( 0.000 0.327 0.000) 0.327 50.239 ( 0.000 -0.623 0.000) 0.623 97.382 ( 0.000 0.252 0.000) 0.252 97.394 ( 0.000 0.301 0.000) 0.301 97.741 ( 0.000 2.353 0.000) 2.353 98.427 ( 0.000 -1.707 0.000) 1.707 99.245 ( 0.000 0.099 0.000) 0.099 99.613 ( 0.000 -9.521 0.000) 9.521 101.880 ( 0.000 5.753 0.000) 5.753 103.875 ( 0.000 -2.895 0.000) 2.895======================= Grid point 27 (16/168) =======================q-point: ( 0.08 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 240Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.018 ( 5.761 20.815 0.000) 21.598 1.068 ( 5.361 21.958 0.000) 22.603 1.758 ( 16.748 7.399 0.000) 18.309 1.885 ( 19.942 32.238 0.000) 37.908 2.047 ( 4.764 -7.609 0.000) 8.977 2.828 ( 7.505 -4.128 0.000) 8.565 3.081 ( 0.415 -10.195 0.000) 10.204 3.191 ( 12.100 -9.682 0.000) 15.496 3.497 ( 1.340 -10.250 0.000) 10.337 4.295 ( -5.126 4.708 0.000) 6.961 4.693 ( -2.867 0.875 0.000) 2.998 4.876 ( -5.264 1.293 0.000) 5.420 4.968 ( 1.406 -0.576 0.000) 1.520 5.358 ( 2.812 -6.878 0.000) 7.431 5.590 ( -12.579 -6.892 0.000) 14.343 5.823 ( -0.918 2.296 0.000) 2.472 6.192 ( -9.984 0.688 0.000) 10.008 6.616 ( -3.472 4.609 0.000) 5.770 7.630 ( 10.304 -0.348 0.000) 10.310 7.858 ( 21.068 -9.557 0.000) 23.134 8.026 ( -0.987 1.964 0.000) 2.198 8.786 ( -1.228 0.323 0.000) 1.270 8.914 ( -3.526 3.180 0.000) 4.748 9.295 ( -7.412 0.782 0.000) 7.453 18.919 ( -1.256 -0.576 0.000) 1.382 19.643 ( -1.202 -2.665 0.000) 2.923 20.068 ( -3.245 -3.174 0.000) 4.539 20.330 ( -9.927 0.953 0.000) 9.972 20.588 ( 15.865 -1.072 0.000) 15.901 21.004 ( 13.950 3.179 0.000) 14.307 22.361 ( 33.805 -15.724 0.000) 37.283 22.709 ( 7.281 0.066 0.000) 7.282 23.599 ( 1.342 0.323 0.000) 1.380 25.554 ( -8.608 -2.537 0.000) 8.974 25.902 ( 4.511 1.868 0.000) 4.882 26.104 ( 14.809 -1.182 0.000) 14.856 47.889 ( -0.432 0.215 0.000) 0.482 48.495 ( -0.056 -0.682 0.000) 0.685 49.486 ( -7.364 0.224 0.000) 7.367 50.101 ( -12.528 1.249 0.000) 12.590 97.428 ( 3.199 0.137 0.000) 3.202 97.588 ( 14.066 -6.283 0.000) 15.406 97.755 ( 2.072 2.244 0.000) 3.054 98.461 ( 3.103 -5.472 0.000) 6.291 99.242 ( -0.380 -0.012 0.000) 0.380 99.544 ( -6.268 -7.806 0.000) 10.011 101.928 ( 4.734 5.022 0.000) 6.902 103.826 ( -3.481 -0.593 0.000) 3.531======================= Grid point 28 (17/168) =======================q-point: ( 0.17 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 248Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.136 ( 7.313 14.543 0.000) 16.279 1.243 ( 10.757 14.197 0.000) 17.812 2.066 ( 10.358 -2.621 0.000) 10.684 2.276 ( 19.312 2.277 0.000) 19.445 2.369 ( 24.756 21.465 0.000) 32.766 2.946 ( 1.664 -6.078 0.000) 6.302 3.076 ( 1.902 -7.190 0.000) 7.437 3.507 ( 16.205 -9.748 0.000) 18.911 3.578 ( 7.674 -7.587 0.000) 10.792 4.161 ( -7.663 2.972 0.000) 8.219 4.621 ( -4.177 0.710 0.000) 4.237 4.746 ( -6.568 4.943 0.000) 8.220 4.955 ( -2.881 -1.235 0.000) 3.134 5.348 ( -3.998 -8.408 0.000) 9.311 5.491 ( 3.998 -1.224 0.000) 4.181 5.822 ( 0.317 2.432 0.000) 2.453 6.028 ( -6.664 -0.225 0.000) 6.668 6.546 ( -3.650 2.878 0.000) 4.649 7.881 ( 13.287 -1.859 0.000) 13.416 7.982 ( -2.034 1.546 0.000) 2.555 8.206 ( 11.826 -7.875 0.000) 14.208 8.746 ( -2.621 1.021 0.000) 2.813 8.844 ( -2.662 1.528 0.000) 3.069 9.114 ( -9.828 1.286 0.000) 9.912 18.884 ( -2.063 -0.267 0.000) 2.080 19.609 ( -2.048 -2.751 0.000) 3.429 19.987 ( -5.028 -3.281 0.000) 6.004 20.131 ( -8.607 1.875 0.000) 8.809 21.005 ( 24.579 -1.726 0.000) 24.639 21.395 ( 23.635 4.227 0.000) 24.010 22.880 ( 12.310 -3.571 0.000) 12.817 22.995 ( 23.561 -19.372 0.000) 30.502 23.639 ( 2.594 0.343 0.000) 2.616 25.431 ( -3.626 -2.161 0.000) 4.222 26.023 ( 7.221 1.457 0.000) 7.367 26.401 ( 14.384 -0.957 0.000) 14.415 47.883 ( -0.110 0.200 0.000) 0.228 48.495 ( 0.075 -0.985 0.000) 0.987 49.277 ( -12.951 -0.061 0.000) 12.952 49.779 ( -18.741 2.196 0.000) 18.869 97.504 ( 3.817 -0.107 0.000) 3.819 97.726 ( 1.774 -1.482 0.000) 2.312 97.881 ( 7.602 -1.741 0.000) 7.798 98.523 ( 2.000 -11.028 0.000) 11.208 99.216 ( -2.977 -0.761 0.000) 3.072 99.404 ( -6.024 -4.271 0.000) 7.384 102.064 ( 8.415 3.187 0.000) 8.998 103.786 ( 0.023 0.541 0.000) 0.542======================= Grid point 29 (18/168) =======================q-point: ( 0.25 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 240Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.319 ( 10.601 6.981 0.000) 12.693 1.496 ( 14.325 4.532 0.000) 15.025 2.257 ( 9.663 -3.154 0.000) 10.164 2.668 ( 16.787 4.252 0.000) 17.317 2.718 ( 5.323 3.710 0.000) 6.488 2.946 ( 1.913 -3.831 0.000) 4.282 3.192 ( 10.056 0.935 0.000) 10.099 3.704 ( 5.002 -8.513 0.000) 9.874 3.853 ( 14.721 -3.997 0.000) 15.254 4.010 ( -6.060 0.275 0.000) 6.066 4.527 ( -4.728 0.474 0.000) 4.751 4.663 ( -1.139 7.065 0.000) 7.156 4.888 ( -2.573 -2.202 0.000) 3.387 5.302 ( -1.001 -5.887 0.000) 5.972 5.594 ( 5.013 -0.737 0.000) 5.067 5.796 ( -3.843 1.855 0.000) 4.267 5.947 ( -0.418 -1.120 0.000) 1.196 6.468 ( -4.050 1.047 0.000) 4.184 7.936 ( -2.329 1.569 0.000) 2.808 8.121 ( 9.047 -3.116 0.000) 9.569 8.354 ( 3.780 -2.233 0.000) 4.391 8.715 ( 0.397 1.247 0.000) 1.308 8.814 ( -0.466 -0.359 0.000) 0.588 8.925 ( -8.200 0.590 0.000) 8.221 18.842 ( -2.025 0.038 0.000) 2.025 19.566 ( -2.021 -2.548 0.000) 3.252 19.859 ( -7.043 -0.797 0.000) 7.088 20.004 ( -4.376 -0.272 0.000) 4.384 21.543 ( 27.857 -1.868 0.000) 27.919 21.914 ( 26.898 4.373 0.000) 27.251 23.111 ( 10.781 -3.372 0.000) 11.296 23.370 ( 13.377 -15.631 0.000) 20.574 23.701 ( 3.485 0.729 0.000) 3.560 25.397 ( -0.097 -2.328 0.000) 2.330 26.178 ( 7.742 0.979 0.000) 7.804 26.673 ( 12.419 -1.008 0.000) 12.460 47.891 ( 1.051 0.042 0.000) 1.052 48.498 ( 0.173 -1.365 0.000) 1.376 48.986 ( -15.310 -0.449 0.000) 15.316 49.370 ( -21.341 1.700 0.000) 21.409 97.559 ( 1.347 -0.179 0.000) 1.359 97.756 ( 1.728 -0.981 0.000) 1.988 98.000 ( 4.717 0.026 0.000) 4.717 98.514 ( -2.928 -10.095 0.000) 10.511 99.105 ( -6.913 -1.389 0.000) 7.051 99.343 ( -0.718 -1.560 0.000) 1.718 102.248 ( 9.442 1.534 0.000) 9.566 103.824 ( 3.311 0.023 0.000) 3.311======================= Grid point 30 (19/168) =======================q-point: ( 0.33 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 248Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.549 ( 11.810 1.206 0.000) 11.871 1.812 ( 16.655 -2.911 0.000) 16.907 2.457 ( 9.827 -1.934 0.000) 10.016 2.665 ( -6.278 -5.407 0.000) 8.285 2.857 ( 2.275 3.761 0.000) 4.396 3.067 ( 8.523 -0.598 0.000) 8.544 3.349 ( 0.659 -1.619 0.000) 1.748 3.730 ( -1.538 -3.178 0.000) 3.531 3.929 ( 1.553 0.401 0.000) 1.604 4.128 ( 9.584 -3.982 0.000) 10.378 4.465 ( -0.586 1.331 0.000) 1.454 4.667 ( 0.267 5.658 0.000) 5.665 4.892 ( 3.356 -1.607 0.000) 3.721 5.291 ( -0.279 -4.189 0.000) 4.198 5.631 ( -3.686 1.489 0.000) 3.975 5.743 ( 1.878 -0.944 0.000) 2.102 5.979 ( 2.518 -0.045 0.000) 2.519 6.384 ( -4.238 -0.295 0.000) 4.248 7.891 ( -2.017 1.697 0.000) 2.636 8.193 ( -1.245 -2.139 0.000) 2.475 8.439 ( 5.312 0.847 0.000) 5.379 8.717 ( -2.207 1.786 0.000) 2.840 8.823 ( 0.675 -1.912 0.000) 2.028 8.827 ( 0.189 -0.812 0.000) 0.834 18.806 ( -1.422 0.217 0.000) 1.439 19.530 ( -1.518 -1.871 0.000) 2.409 19.730 ( -5.418 1.318 0.000) 5.576 19.934 ( -2.778 -2.750 0.000) 3.909 22.087 ( 25.106 -2.193 0.000) 25.202 22.442 ( 24.638 4.297 0.000) 25.010 23.298 ( 7.424 -4.478 0.000) 8.670 23.551 ( 5.067 -9.849 0.000) 11.076 23.773 ( 3.330 1.494 0.000) 3.650 25.413 ( 1.355 -2.516 0.000) 2.858 26.322 ( 6.320 0.457 0.000) 6.337 26.892 ( 9.134 -1.425 0.000) 9.244 47.932 ( 3.250 -0.070 0.000) 3.250 48.501 ( 0.130 -1.687 0.000) 1.692 48.688 ( -13.590 -0.848 0.000) 13.616 48.942 ( -20.489 1.000 0.000) 20.513 97.561 ( -0.880 -0.052 0.000) 0.882 97.798 ( 2.374 -1.759 0.000) 2.955 98.082 ( 3.439 0.158 0.000) 3.443 98.422 ( -5.631 -6.299 0.000) 8.449 98.982 ( -4.854 -0.943 0.000) 4.945 99.341 ( 0.185 -0.752 0.000) 0.775 102.426 ( 7.807 0.672 0.000) 7.836 103.902 ( 4.001 -0.356 0.000) 4.017======================= Grid point 31 (20/168) =======================q-point: ( 0.42 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 240Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.773 ( 9.723 -2.600 0.000) 10.065 2.141 ( 14.921 -5.873 0.000) 16.035 2.505 ( -6.522 -5.519 0.000) 8.543 2.656 ( 6.980 -3.546 0.000) 7.829 2.870 ( 0.364 3.814 0.000) 3.831 3.135 ( -5.645 -2.219 0.000) 6.066 3.275 ( -1.482 -2.883 0.000) 3.242 3.669 ( -3.483 -0.328 0.000) 3.498 4.017 ( 4.704 -1.341 0.000) 4.891 4.244 ( 2.485 -3.520 0.000) 4.309 4.516 ( 4.715 2.161 0.000) 5.187 4.657 ( -1.213 3.764 0.000) 3.955 4.987 ( 4.655 -0.713 0.000) 4.709 5.288 ( 0.067 -3.307 0.000) 3.308 5.526 ( -4.998 1.318 0.000) 5.169 5.808 ( 3.059 0.007 0.000) 3.059 6.031 ( 2.450 0.567 0.000) 2.515 6.301 ( -3.686 -0.848 0.000) 3.782 7.857 ( -1.243 2.003 0.000) 2.357 8.146 ( -2.219 -0.488 0.000) 2.273 8.528 ( 2.860 2.589 0.000) 3.857 8.667 ( -1.621 -0.151 0.000) 1.628 8.836 ( 0.950 -2.289 0.000) 2.478 8.867 ( 1.797 -0.947 0.000) 2.031 18.785 ( -0.683 0.273 0.000) 0.735 19.506 ( -0.841 -0.591 0.000) 1.028 19.648 ( -2.719 1.596 0.000) 3.152 19.891 ( -1.513 -4.196 0.000) 4.460 22.510 ( 15.760 -2.608 0.000) 15.974 22.868 ( 16.606 4.235 0.000) 17.138 23.402 ( 2.855 -5.219 0.000) 5.949 23.592 ( -0.393 -6.464 0.000) 6.476 23.825 ( 1.752 2.555 0.000) 3.098 25.440 ( 1.131 -2.619 0.000) 2.853 26.423 ( 3.513 0.026 0.000) 3.513 27.034 ( 4.825 -1.807 0.000) 5.152 48.027 ( 6.241 0.004 0.000) 6.241 48.464 ( -7.850 -0.983 0.000) 7.911 48.498 ( -2.071 -1.846 0.000) 2.774 48.574 ( -14.196 0.159 0.000) 14.197 97.539 ( -1.016 0.069 0.000) 1.018 97.846 ( 2.114 -3.199 0.000) 3.835 98.135 ( 1.730 -0.244 0.000) 1.747 98.313 ( -4.559 -2.727 0.000) 5.312 98.913 ( -2.094 -0.708 0.000) 2.211 99.345 ( 0.146 -0.368 0.000) 0.396 102.551 ( 4.351 0.368 0.000) 4.366 103.970 ( 2.560 -0.441 0.000) 2.598======================= Grid point 32 (21/168) =======================q-point: (-0.50 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 144Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.888 ( 0.000 -4.242 0.000) 4.242 2.322 ( 0.000 -4.505 0.000) 4.505 2.420 ( 0.000 -5.093 0.000) 5.093 2.739 ( 0.000 -11.292 0.000) 11.292 2.879 ( 0.000 4.396 0.000) 4.396 3.012 ( -0.000 0.399 0.000) 0.399 3.276 ( 0.000 -0.456 0.000) 0.456 3.629 ( 0.000 -0.396 0.000) 0.396 4.068 ( 0.000 -2.996 0.000) 2.996 4.264 ( 0.000 -2.961 0.000) 2.961 4.592 ( 0.000 1.086 0.000) 1.086 4.625 ( 0.000 4.355 0.000) 4.355 5.039 ( 0.000 -0.703 0.000) 0.703 5.292 ( 0.000 -3.414 0.000) 3.414 5.468 ( 0.000 1.905 0.000) 1.905 5.842 ( 0.000 0.240 0.000) 0.240 6.062 ( 0.000 0.971 0.000) 0.971 6.257 ( 0.000 -0.994 0.000) 0.994 7.844 ( 0.000 2.175 0.000) 2.175 8.122 ( 0.000 -0.022 0.000) 0.022 8.554 ( 0.000 3.970 0.000) 3.970 8.654 ( 0.000 -1.421 0.000) 1.421 8.848 ( 0.000 -2.967 0.000) 2.967 8.886 ( 0.000 -0.545 0.000) 0.545 18.778 ( 0.000 0.277 0.000) 0.277 19.498 ( 0.000 0.235 0.000) 0.235 19.620 ( 0.000 1.290 0.000) 1.290 19.875 ( 0.000 -4.696 0.000) 4.696 22.677 ( 0.000 -2.785 0.000) 2.785 23.052 ( 0.000 4.409 0.000) 4.409 23.426 ( 0.000 -5.544 0.000) 5.544 23.575 ( 0.000 -5.525 0.000) 5.525 23.843 ( 0.000 3.025 0.000) 3.025 25.452 ( 0.000 -2.648 0.000) 2.648 26.459 ( 0.000 -0.142 0.000) 0.142 27.083 ( 0.000 -1.951 0.000) 1.951 48.137 ( 0.000 0.349 0.000) 0.349 48.345 ( 0.000 -0.341 0.000) 0.341 48.383 ( 0.000 -1.085 0.000) 1.085 48.512 ( 0.000 -1.965 0.000) 1.965 97.527 ( 0.000 0.114 0.000) 0.114 97.870 ( 0.000 -4.222 0.000) 4.222 98.152 ( 0.000 -0.403 0.000) 0.403 98.262 ( 0.000 -1.015 0.000) 1.015 98.893 ( 0.000 -0.652 0.000) 0.652 99.347 ( 0.000 -0.244 0.000) 0.244 102.595 ( 0.000 0.308 0.000) 0.308 103.997 ( 0.000 -0.440 0.000) 0.440======================= Grid point 39 (22/168) =======================q-point: ( 0.00 0.30 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.342 ( 0.000 19.796 0.000) 19.796 1.496 ( 0.000 21.309 0.000) 21.309 1.720 ( 0.000 7.948 0.000) 7.948 1.866 ( 0.000 -3.118 0.000) 3.118 2.405 ( 0.000 30.294 0.000) 30.294 2.640 ( 0.000 -5.450 0.000) 5.450 2.842 ( 0.000 -9.273 0.000) 9.273 2.901 ( 0.000 -7.944 0.000) 7.944 3.242 ( 0.000 -13.488 0.000) 13.488 4.441 ( 0.000 3.762 0.000) 3.762 4.723 ( 0.000 -1.339 0.000) 1.339 4.931 ( 0.000 -0.089 0.000) 0.089 4.940 ( 0.000 -0.061 0.000) 0.061 5.190 ( 0.000 -8.123 0.000) 8.123 5.475 ( 0.000 -13.930 0.000) 13.930 5.868 ( 0.000 0.897 0.000) 0.897 6.300 ( 0.000 -1.854 0.000) 1.854 6.742 ( 0.000 2.714 0.000) 2.714 7.513 ( 0.000 0.256 0.000) 0.256 7.526 ( 0.000 -0.445 0.000) 0.445 8.071 ( 0.000 0.846 0.000) 0.846 8.813 ( 0.000 1.201 0.000) 1.201 9.021 ( 0.000 3.099 0.000) 3.099 9.371 ( 0.000 -0.381 0.000) 0.381 18.918 ( 0.000 -0.661 0.000) 0.661 19.607 ( 0.000 -2.256 0.000) 2.256 20.032 ( 0.000 -3.800 0.000) 3.800 20.411 ( 0.000 0.294 0.000) 0.294 20.486 ( 0.000 1.270 0.000) 1.270 20.857 ( 0.000 -0.653 0.000) 0.653 21.922 ( 0.000 0.577 0.000) 0.577 22.652 ( 0.000 0.880 0.000) 0.880 23.592 ( 0.000 0.243 0.000) 0.243 25.615 ( 0.000 -5.364 0.000) 5.364 25.879 ( 0.000 1.769 0.000) 1.769 25.913 ( 0.000 1.715 0.000) 1.715 47.897 ( 0.000 0.138 0.000) 0.138 48.483 ( 0.000 -0.689 0.000) 0.689 49.569 ( 0.000 0.324 0.000) 0.324 50.227 ( 0.000 -0.601 0.000) 0.601 97.388 ( 0.000 0.253 0.000) 0.253 97.400 ( 0.000 0.300 0.000) 0.300 97.794 ( 0.000 2.956 0.000) 2.956 98.388 ( 0.000 -2.281 0.000) 2.281 99.246 ( 0.000 -0.030 0.000) 0.030 99.432 ( 0.000 -8.451 0.000) 8.451 101.986 ( 0.000 4.856 0.000) 4.856 103.820 ( 0.000 -2.650 0.000) 2.650======================= Grid point 40 (23/168) =======================q-point: ( 0.08 0.30 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 240Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.409 ( 3.363 18.718 0.000) 19.018 1.492 ( 1.734 20.599 0.000) 20.672 1.871 ( 8.640 4.076 0.000) 9.553 1.953 ( 12.875 0.290 0.000) 12.878 2.499 ( 10.173 24.268 0.000) 26.313 2.732 ( 6.537 -5.821 0.000) 8.753 2.878 ( -0.901 -6.770 0.000) 6.830 2.993 ( 13.135 -10.153 0.000) 16.602 3.271 ( 3.673 -11.354 0.000) 11.933 4.376 ( -6.114 3.139 0.000) 6.873 4.692 ( -2.889 -1.401 0.000) 3.210 4.899 ( -3.127 1.345 0.000) 3.404 4.954 ( 0.731 -1.041 0.000) 1.272 5.200 ( -0.366 -10.582 0.000) 10.588 5.429 ( -1.992 -7.118 0.000) 7.391 5.857 ( -0.582 1.341 0.000) 1.462 6.195 ( -8.319 -0.171 0.000) 8.321 6.693 ( -3.994 3.197 0.000) 5.116 7.624 ( 9.240 -0.308 0.000) 9.245 7.728 ( 16.888 -4.317 0.000) 17.431 8.055 ( -1.493 0.802 0.000) 1.695 8.801 ( -1.130 1.160 0.000) 1.620 8.973 ( -4.320 2.759 0.000) 5.126 9.300 ( -6.637 -0.073 0.000) 6.638 18.907 ( -1.041 -0.563 0.000) 1.184 19.593 ( -1.345 -2.311 0.000) 2.674 19.998 ( -3.146 -3.673 0.000) 4.836 20.347 ( -9.392 0.887 0.000) 9.434 20.575 ( 14.748 -0.459 0.000) 14.755 21.051 ( 16.486 1.805 0.000) 16.584 22.174 ( 21.983 -5.304 0.000) 22.614 22.712 ( 5.740 0.190 0.000) 5.743 23.605 ( 1.289 0.211 0.000) 1.306 25.495 ( -7.292 -3.187 0.000) 7.958 25.941 ( 4.285 2.046 0.000) 4.749 26.083 ( 13.790 -0.844 0.000) 13.816 47.893 ( -0.390 0.145 0.000) 0.416 48.480 ( -0.230 -0.762 0.000) 0.796 49.491 ( -7.558 0.230 0.000) 7.561 50.112 ( -10.995 0.077 0.000) 10.995 97.431 ( 3.057 0.239 0.000) 3.066 97.507 ( 9.636 -2.620 0.000) 9.986 97.808 ( 1.682 2.959 0.000) 3.404 98.382 ( -0.470 -3.162 0.000) 3.196 99.239 ( -0.826 -0.303 0.000) 0.880 99.390 ( -3.756 -7.300 0.000) 8.210 102.022 ( 3.540 4.341 0.000) 5.602 103.799 ( -1.512 -1.718 0.000) 2.289======================= Grid point 41 (24/168) =======================q-point: ( 0.17 0.30 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 240Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.431 ( 0.783 14.873 0.000) 14.893 1.567 ( 4.064 18.129 0.000) 18.579 2.025 ( 8.629 -0.443 0.000) 8.640 2.339 ( 21.396 3.848 0.000) 21.739 2.755 ( 5.070 12.389 0.000) 13.386 2.793 ( 3.933 -6.863 0.000) 7.911 2.928 ( 9.001 -7.682 0.000) 11.834 3.295 ( 13.857 -11.491 0.000) 18.001 3.451 ( 15.323 -2.886 0.000) 15.593 4.213 ( -9.375 1.802 0.000) 9.546 4.616 ( -4.433 -1.126 0.000) 4.573 4.828 ( -3.466 3.722 0.000) 5.086 4.924 ( -3.591 -2.705 0.000) 4.496 5.179 ( -0.199 -7.935 0.000) 7.937 5.467 ( 4.859 -1.329 0.000) 5.037 5.859 ( 0.718 1.436 0.000) 1.606 6.023 ( -8.169 -0.198 0.000) 8.171 6.598 ( -5.247 2.388 0.000) 5.765 7.852 ( 12.260 -1.030 0.000) 12.303 8.005 ( -0.610 0.618 0.000) 0.868 8.075 ( 13.258 -5.338 0.000) 14.293 8.767 ( -2.213 1.216 0.000) 2.525 8.874 ( -4.671 1.419 0.000) 4.882 9.128 ( -9.741 0.295 0.000) 9.745 18.878 ( -1.724 -0.279 0.000) 1.747 19.559 ( -1.903 -2.237 0.000) 2.937 19.917 ( -4.705 -3.625 0.000) 5.940 20.164 ( -8.350 1.420 0.000) 8.470 20.980 ( 24.391 -0.954 0.000) 24.409 21.466 ( 23.982 2.949 0.000) 24.163 22.666 ( 24.181 -10.726 0.000) 26.453 22.869 ( 9.377 -1.663 0.000) 9.523 23.646 ( 2.833 0.314 0.000) 2.850 25.384 ( -3.520 -2.448 0.000) 4.288 26.056 ( 6.755 1.695 0.000) 6.965 26.374 ( 14.394 -1.560 0.000) 14.478 47.885 ( -0.205 0.100 0.000) 0.228 48.475 ( -0.268 -1.005 0.000) 1.040 49.276 ( -13.293 -0.033 0.000) 13.293 49.808 ( -18.441 0.921 0.000) 18.464 97.504 ( 3.690 0.179 0.000) 3.694 97.668 ( 4.683 -3.695 0.000) 5.966 97.886 ( 6.227 1.750 0.000) 6.468 98.371 ( -0.637 -5.320 0.000) 5.358 99.189 ( -4.841 -2.223 0.000) 5.327 99.322 ( -1.810 -3.400 0.000) 3.851 102.126 ( 6.686 3.011 0.000) 7.333 103.783 ( 0.399 -0.582 0.000) 0.706======================= Grid point 42 (25/168) =======================q-point: ( 0.25 0.30 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 240Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.476 ( 3.970 8.708 0.000) 9.570 1.658 ( 5.529 11.680 0.000) 12.923 2.223 ( 10.757 0.034 0.000) 10.757 2.675 ( -6.076 -5.861 0.000) 8.442 2.742 ( 17.165 3.301 0.000) 17.479 2.888 ( 3.234 -3.953 0.000) 5.107 3.169 ( 8.640 -6.086 0.000) 10.569 3.552 ( 12.192 -4.865 0.000) 13.127 3.794 ( 15.803 -1.066 0.000) 15.839 4.036 ( -7.109 1.753 0.000) 7.322 4.526 ( -3.990 -0.224 0.000) 3.996 4.780 ( -1.222 4.738 0.000) 4.893 4.861 ( -1.388 -0.883 0.000) 1.645 5.191 ( 0.909 -4.995 0.000) 5.077 5.582 ( 5.971 -0.679 0.000) 6.010 5.825 ( -6.397 1.067 0.000) 6.485 5.929 ( 1.060 -0.601 0.000) 1.219 6.487 ( -5.624 0.917 0.000) 5.698 7.963 ( -2.199 1.107 0.000) 2.462 8.073 ( 8.428 -1.706 0.000) 8.599 8.307 ( 8.712 -2.385 0.000) 9.033 8.731 ( -0.392 0.551 0.000) 0.676 8.808 ( -1.954 -0.385 0.000) 1.991 8.934 ( -8.851 0.380 0.000) 8.859 18.842 ( -1.755 0.043 0.000) 1.755 19.523 ( -1.470 -1.779 0.000) 2.307 19.818 ( -4.859 -2.985 0.000) 5.703 20.014 ( -6.633 0.967 0.000) 6.703 21.515 ( 27.728 -1.038 0.000) 27.747 21.986 ( 26.802 2.957 0.000) 26.964 23.040 ( 10.700 -3.957 0.000) 11.408 23.115 ( 16.061 -9.725 0.000) 18.776 23.718 ( 4.204 0.873 0.000) 4.294 25.349 ( -0.282 -2.461 0.000) 2.477 26.199 ( 7.170 1.144 0.000) 7.261 26.645 ( 12.264 -1.680 0.000) 12.378 47.891 ( 0.920 -0.008 0.000) 0.920 48.470 ( -0.195 -1.356 0.000) 1.370 48.978 ( -15.704 -0.396 0.000) 15.709 49.397 ( -21.745 1.035 0.000) 21.769 97.560 ( 1.453 0.257 0.000) 1.475 97.721 ( 1.657 -2.595 0.000) 3.079 98.011 ( 5.226 1.115 0.000) 5.344 98.352 ( -1.445 -6.423 0.000) 6.583 99.067 ( -6.282 -2.309 0.000) 6.693 99.314 ( 0.453 -1.274 0.000) 1.352 102.280 ( 8.196 1.587 0.000) 8.348 103.820 ( 3.073 -0.323 0.000) 3.090======================= Grid point 43 (26/168) =======================q-point: ( 0.33 0.30 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 240Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.588 ( 6.824 2.693 0.000) 7.336 1.808 ( 9.619 3.112 0.000) 10.110 2.435 ( 8.902 -0.461 0.000) 8.914 2.543 ( -6.347 -6.628 0.000) 9.177 2.902 ( 2.188 0.401 0.000) 2.225 3.058 ( 8.656 -1.082 0.000) 8.723 3.201 ( -2.680 -11.440 0.000) 11.750 3.728 ( 2.473 2.330 0.000) 3.398 3.941 ( 1.446 0.177 0.000) 1.457 4.064 ( 7.980 -2.484 0.000) 8.358 4.486 ( 0.804 1.084 0.000) 1.350 4.753 ( -1.504 3.353 0.000) 3.675 4.899 ( 4.491 1.962 0.000) 4.901 5.208 ( 0.707 -4.196 0.000) 4.255 5.660 ( -3.656 1.453 0.000) 3.934 5.722 ( 2.484 -1.112 0.000) 2.722 5.980 ( 3.055 0.198 0.000) 3.061 6.378 ( -5.161 -0.336 0.000) 5.172 7.923 ( -1.702 1.418 0.000) 2.215 8.159 ( 0.511 -1.192 0.000) 1.297 8.455 ( 6.579 0.756 0.000) 6.622 8.746 ( -1.220 0.619 0.000) 1.368 8.784 ( -0.681 -1.548 0.000) 1.691 8.807 ( -1.294 -1.155 0.000) 1.734 18.811 ( -1.288 0.264 0.000) 1.314 19.503 ( -0.484 -0.869 0.000) 0.995 19.729 ( -3.789 -1.539 0.000) 4.089 19.894 ( -5.230 -1.026 0.000) 5.330 22.055 ( 24.803 -1.180 0.000) 24.831 22.511 ( 24.418 2.697 0.000) 24.566 23.209 ( 6.453 -4.324 0.000) 7.768 23.372 ( 8.759 -7.876 0.000) 11.779 23.808 ( 4.413 1.905 0.000) 4.807 25.361 ( 1.180 -2.663 0.000) 2.913 26.332 ( 5.768 0.531 0.000) 5.792 26.859 ( 8.838 -1.822 0.000) 9.023 47.931 ( 3.227 -0.079 0.000) 3.228 48.467 ( -0.136 -1.686 0.000) 1.692 48.672 ( -13.940 -0.757 0.000) 13.961 48.959 ( -21.064 0.675 0.000) 21.075 97.564 ( -0.689 0.491 0.000) 0.846 97.751 ( 1.308 -3.089 0.000) 3.354 98.092 ( 3.022 0.939 0.000) 3.165 98.311 ( -2.517 -4.876 0.000) 5.487 98.958 ( -4.253 -1.361 0.000) 4.465 99.327 ( 0.659 -0.695 0.000) 0.957 102.440 ( 7.248 0.695 0.000) 7.282 103.894 ( 3.881 -0.378 0.000) 3.900======================= Grid point 44 (27/168) =======================q-point: ( 0.42 0.30 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 240Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.729 ( 6.389 -1.804 0.000) 6.639 2.038 ( 12.574 -3.961 0.000) 13.183 2.393 ( -6.007 -5.546 0.000) 8.176 2.561 ( -0.330 -6.677 0.000) 6.685 2.941 ( 1.991 3.135 0.000) 3.714 3.042 ( -3.332 -5.927 0.000) 6.799 3.249 ( 3.306 0.095 0.000) 3.308 3.682 ( -4.148 1.501 0.000) 4.412 3.992 ( 1.824 -1.367 0.000) 2.279 4.169 ( 2.918 -4.232 0.000) 5.140 4.550 ( 4.325 1.323 0.000) 4.523 4.727 ( -1.135 3.646 0.000) 3.819 4.993 ( 3.979 1.170 0.000) 4.147 5.218 ( 0.253 -3.836 0.000) 3.845 5.556 ( -4.284 1.732 0.000) 4.621 5.809 ( 3.760 0.158 0.000) 3.763 6.040 ( 2.692 0.308 0.000) 2.710 6.285 ( -3.869 -0.847 0.000) 3.961 7.896 ( -0.940 1.778 0.000) 2.011 8.142 ( -1.245 0.127 0.000) 1.251 8.568 ( 4.359 1.493 0.000) 4.608 8.681 ( -2.916 1.347 0.000) 3.212 8.782 ( 0.148 -2.928 0.000) 2.932 8.843 ( 2.079 -1.637 0.000) 2.646 18.792 ( -0.644 0.368 0.000) 0.742 19.503 ( 0.305 0.270 0.000) 0.407 19.669 ( -2.156 0.248 0.000) 2.170 19.808 ( -3.170 -3.824 0.000) 4.967 22.472 ( 15.529 -1.376 0.000) 15.590 22.934 ( 16.625 2.488 0.000) 16.811 23.297 ( 2.255 -5.181 0.000) 5.651 23.470 ( 1.354 -5.645 0.000) 5.805 23.882 ( 2.676 3.045 0.000) 4.054 25.385 ( 1.042 -2.830 0.000) 3.016 26.424 ( 3.169 0.043 0.000) 3.170 26.996 ( 4.616 -2.001 0.000) 5.031 48.028 ( 6.477 0.029 0.000) 6.477 48.443 ( -8.151 -1.099 0.000) 8.224 48.463 ( -0.804 -1.653 0.000) 1.838 48.575 ( -16.097 -0.027 0.000) 16.097 97.545 ( -0.894 0.714 0.000) 1.144 97.772 ( 0.774 -4.221 0.000) 4.292 98.136 ( 1.352 0.400 0.000) 1.410 98.262 ( -2.027 -2.424 0.000) 3.160 98.897 ( -1.875 -0.838 0.000) 2.054 99.337 ( 0.374 -0.391 0.000) 0.541 102.558 ( 4.190 0.339 0.000) 4.203 103.962 ( 2.554 -0.403 0.000) 2.586======================= Grid point 45 (28/168) =======================q-point: (-0.50 0.30 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.804 ( 0.000 -4.000 0.000) 4.000 2.224 ( 0.000 -5.367 0.000) 5.367 2.322 ( 0.000 -4.623 0.000) 4.623 2.487 ( 0.000 -13.631 0.000) 13.631 2.964 ( 0.000 4.115 0.000) 4.115 3.031 ( 0.000 1.554 0.000) 1.554 3.273 ( 0.000 -0.133 0.000) 0.133 3.631 ( 0.000 0.821 0.000) 0.821 4.008 ( 0.000 -3.148 0.000) 3.148 4.197 ( 0.000 -3.964 0.000) 3.964 4.605 ( 0.000 0.291 0.000) 0.291 4.711 ( 0.000 4.446 0.000) 4.446 5.037 ( 0.000 0.374 0.000) 0.374 5.220 ( 0.000 -3.807 0.000) 3.807 5.510 ( 0.000 2.368 0.000) 2.368 5.850 ( 0.000 0.588 0.000) 0.588 6.073 ( 0.000 0.173 0.000) 0.173 6.239 ( 0.000 -0.822 0.000) 0.822 7.887 ( 0.000 1.945 0.000) 1.945 8.128 ( 0.000 0.630 0.000) 0.630 8.627 ( -0.000 3.298 0.000) 3.298 8.637 ( 0.000 -0.274 0.000) 0.274 8.784 ( 0.000 -3.316 0.000) 3.316 8.864 ( 0.000 -1.565 0.000) 1.565 18.785 ( 0.000 0.395 0.000) 0.395 19.508 ( 0.000 0.878 0.000) 0.878 19.646 ( 0.000 1.254 0.000) 1.254 19.774 ( 0.000 -5.416 0.000) 5.416 22.637 ( 0.000 -1.420 0.000) 1.420 23.122 ( 0.000 2.725 0.000) 2.725 23.314 ( 0.000 -5.565 0.000) 5.565 23.467 ( 0.000 -5.161 0.000) 5.161 23.909 ( 0.000 3.567 0.000) 3.567 25.397 ( 0.000 -2.891 0.000) 2.891 26.456 ( 0.000 -0.144 0.000) 0.144 27.043 ( 0.000 -2.080 0.000) 2.080 48.145 ( 0.000 0.467 0.000) 0.467 48.338 ( 0.000 -0.346 0.000) 0.346 48.361 ( 0.000 -1.097 0.000) 1.097 48.471 ( 0.000 -2.112 0.000) 2.112 97.536 ( 0.000 0.799 0.000) 0.799 97.780 ( 0.000 -4.846 0.000) 4.846 98.149 ( 0.000 0.138 0.000) 0.138 98.240 ( 0.000 -1.251 0.000) 1.251 98.879 ( 0.000 -0.702 0.000) 0.702 99.341 ( 0.000 -0.288 0.000) 0.288 102.601 ( 0.000 0.261 0.000) 0.261 103.989 ( 0.000 -0.399 0.000) 0.399======================= Grid point 52 (29/168) =======================q-point: ( 0.00 0.40 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.682 ( 0.000 14.252 0.000) 14.252 1.767 ( 0.000 7.451 0.000) 7.451 1.863 ( 0.000 6.071 0.000) 6.071 1.979 ( 0.000 11.550 0.000) 11.550 2.483 ( 0.000 -8.216 0.000) 8.216 2.538 ( 0.000 -4.494 0.000) 4.494 2.656 ( 0.000 -9.067 0.000) 9.067 2.876 ( 0.000 -14.091 0.000) 14.091 3.318 ( 0.000 29.350 0.000) 29.350 4.452 ( 0.000 -5.899 0.000) 5.899 4.660 ( 0.000 -4.158 0.000) 4.158 4.929 ( 0.000 -0.106 0.000) 0.106 4.940 ( 0.000 -0.007 0.000) 0.007 4.957 ( 0.000 -11.982 0.000) 11.982 5.324 ( 0.000 -2.328 0.000) 2.328 5.883 ( 0.000 0.555 0.000) 0.555 6.278 ( 0.000 -0.643 0.000) 0.643 6.783 ( 0.000 1.414 0.000) 1.414 7.515 ( 0.000 -0.102 0.000) 0.102 7.521 ( 0.000 -0.018 0.000) 0.018 8.076 ( 0.000 -0.111 0.000) 0.111 8.837 ( 0.000 1.096 0.000) 1.096 9.070 ( 0.000 1.831 0.000) 1.831 9.363 ( 0.000 -0.329 0.000) 0.329 18.907 ( 0.000 -0.396 0.000) 0.396 19.571 ( 0.000 -1.335 0.000) 1.335 19.969 ( 0.000 -2.444 0.000) 2.444 20.416 ( 0.000 0.198 0.000) 0.198 20.507 ( 0.000 0.756 0.000) 0.756 20.849 ( 0.000 -0.229 0.000) 0.229 21.931 ( 0.000 0.333 0.000) 0.333 22.666 ( 0.000 0.500 0.000) 0.500 23.595 ( 0.000 0.084 0.000) 0.084 25.529 ( 0.000 -3.179 0.000) 3.179 25.909 ( 0.000 1.175 0.000) 1.175 25.940 ( 0.000 0.987 0.000) 0.987 47.900 ( 0.000 0.105 0.000) 0.105 48.471 ( 0.000 -0.473 0.000) 0.473 49.574 ( 0.000 0.199 0.000) 0.199 50.217 ( 0.000 -0.362 0.000) 0.362 97.392 ( 0.000 0.157 0.000) 0.157 97.405 ( 0.000 0.185 0.000) 0.185 97.848 ( 0.000 2.353 0.000) 2.353 98.344 ( 0.000 -1.949 0.000) 1.949 99.243 ( 0.000 -0.280 0.000) 0.280 99.301 ( 0.000 -4.590 0.000) 4.590 102.061 ( 0.000 2.675 0.000) 2.675 103.778 ( 0.000 -1.523 0.000) 1.523======================= Grid point 53 (30/168) =======================q-point: ( 0.08 0.40 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 240Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.716 ( 0.174 11.741 0.000) 11.742 1.814 ( 5.099 11.049 0.000) 12.169 1.993 ( 3.482 10.903 0.000) 11.445 2.037 ( 14.520 5.419 0.000) 15.499 2.507 ( 4.509 -10.152 0.000) 11.108 2.613 ( 5.707 -5.903 0.000) 8.211 2.785 ( 9.725 -8.633 0.000) 13.004 2.876 ( 1.301 -10.533 0.000) 10.613 3.367 ( 5.749 24.703 0.000) 25.363 4.371 ( -7.289 -6.106 0.000) 9.509 4.639 ( -1.925 -3.043 0.000) 3.601 4.893 ( -2.747 -5.534 0.000) 6.179 4.932 ( -1.093 0.738 0.000) 1.319 5.001 ( 3.261 -5.196 0.000) 6.135 5.351 ( 3.020 -1.590 0.000) 3.413 5.877 ( -0.393 0.663 0.000) 0.770 6.191 ( -7.465 -0.178 0.000) 7.467 6.740 ( -3.966 1.574 0.000) 4.267 7.618 ( 9.053 -0.298 0.000) 9.058 7.674 ( 13.639 -1.560 0.000) 13.728 8.060 ( -1.469 -0.051 0.000) 1.470 8.825 ( -1.221 1.035 0.000) 1.601 9.017 ( -4.928 1.616 0.000) 5.186 9.296 ( -6.359 -0.237 0.000) 6.363 18.898 ( -0.878 -0.334 0.000) 0.940 19.557 ( -1.335 -1.323 0.000) 1.880 19.936 ( -3.084 -2.412 0.000) 3.915 20.363 ( -9.379 0.630 0.000) 9.400 20.568 ( 14.297 -0.239 0.000) 14.299 21.077 ( 18.114 0.845 0.000) 18.134 22.111 ( 16.646 -1.673 0.000) 16.730 22.716 ( 4.751 0.132 0.000) 4.752 23.607 ( 1.286 0.078 0.000) 1.288 25.440 ( -6.045 -2.164 0.000) 6.420 25.976 ( 4.070 1.381 0.000) 4.298 26.071 ( 12.497 -0.370 0.000) 12.502 47.895 ( -0.410 0.093 0.000) 0.421 48.467 ( -0.351 -0.517 0.000) 0.625 49.495 ( -7.704 0.145 0.000) 7.705 50.111 ( -10.313 -0.119 0.000) 10.313 97.437 ( 3.111 0.314 0.000) 3.127 97.472 ( 6.738 -1.171 0.000) 6.839 97.862 ( 1.576 2.330 0.000) 2.813 98.330 ( -1.310 -2.096 0.000) 2.471 99.224 ( -2.509 -1.532 0.000) 2.940 99.284 ( -0.923 -2.932 0.000) 3.074 102.089 ( 2.809 2.416 0.000) 3.705 103.770 ( -0.532 -1.147 0.000) 1.264======================= Grid point 54 (31/168) =======================q-point: ( 0.17 0.40 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 248Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.679 ( -2.823 9.708 0.000) 10.110 1.898 ( 2.274 12.986 0.000) 13.183 2.092 ( 6.992 9.143 0.000) 11.510 2.410 ( 20.124 2.985 0.000) 20.344 2.614 ( 2.944 -7.789 0.000) 8.326 2.713 ( 2.014 -11.659 0.000) 11.832 2.876 ( 4.819 -4.372 0.000) 6.507 3.100 ( 17.489 -7.283 0.000) 18.945 3.573 ( 13.830 13.913 0.000) 19.617 4.201 ( -8.475 -3.823 0.000) 9.297 4.588 ( -3.021 -1.400 0.000) 3.330 4.841 ( -1.949 -4.543 0.000) 4.943 4.890 ( -2.321 2.287 0.000) 3.259 5.070 ( 3.059 -3.091 0.000) 4.349 5.443 ( 5.688 -1.007 0.000) 5.777 5.879 ( 0.829 0.651 0.000) 1.054 6.020 ( -8.796 -0.090 0.000) 8.796 6.635 ( -6.158 1.298 0.000) 6.293 7.840 ( 11.822 -0.239 0.000) 11.825 7.982 ( 14.893 -2.610 0.000) 15.120 8.024 ( -1.408 -0.191 0.000) 1.421 8.790 ( -2.136 1.009 0.000) 2.362 8.895 ( -6.348 0.716 0.000) 6.388 9.129 ( -9.504 -0.051 0.000) 9.504 18.874 ( -1.455 -0.162 0.000) 1.464 19.525 ( -1.641 -1.189 0.000) 2.027 19.856 ( -4.616 -2.392 0.000) 5.199 20.185 ( -8.109 0.770 0.000) 8.146 20.966 ( 24.230 -0.452 0.000) 24.234 21.509 ( 24.225 1.441 0.000) 24.268 22.524 ( 22.386 -4.297 0.000) 22.795 22.845 ( 7.701 -0.805 0.000) 7.743 23.651 ( 3.107 0.182 0.000) 3.112 25.343 ( -3.284 -1.623 0.000) 3.663 26.084 ( 6.363 1.115 0.000) 6.461 26.348 ( 14.063 -0.998 0.000) 14.099 47.887 ( -0.278 0.051 0.000) 0.283 48.458 ( -0.513 -0.652 0.000) 0.830 49.276 ( -13.551 -0.008 0.000) 13.551 49.819 ( -18.035 0.278 0.000) 18.038 97.512 ( 3.833 0.536 0.000) 3.870 97.603 ( 4.979 -2.649 0.000) 5.640 97.927 ( 5.011 1.937 0.000) 5.373 98.296 ( -1.952 -2.610 0.000) 3.259 99.138 ( -5.446 -2.431 0.000) 5.964 99.281 ( 0.418 -1.032 0.000) 1.113 102.174 ( 5.554 1.738 0.000) 5.820 103.771 ( 0.977 -0.551 0.000) 1.122======================= Grid point 55 (32/168) =======================q-point: ( 0.25 0.40 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 240Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.634 ( -1.204 6.597 0.000) 6.706 1.915 ( 0.157 13.001 0.000) 13.002 2.266 ( 9.503 4.566 0.000) 10.543 2.562 ( -6.245 -5.208 0.000) 8.131 2.772 ( 4.725 -6.106 0.000) 7.721 2.796 ( 16.745 1.261 0.000) 16.792 2.947 ( 0.867 -13.771 0.000) 13.798 3.494 ( 19.437 -2.450 0.000) 19.591 3.835 ( 9.538 4.194 0.000) 10.420 4.065 ( -4.372 1.050 0.000) 4.496 4.528 ( -2.449 0.421 0.000) 2.485 4.827 ( -0.252 -0.407 0.000) 0.479 4.865 ( 1.028 1.782 0.000) 2.057 5.114 ( 1.337 -2.789 0.000) 3.093 5.567 ( 6.417 -0.752 0.000) 6.461 5.838 ( -7.798 0.368 0.000) 7.806 5.925 ( 2.273 0.027 0.000) 2.274 6.502 ( -6.789 0.533 0.000) 6.810 7.975 ( -1.746 0.191 0.000) 1.756 8.054 ( 7.843 -0.304 0.000) 7.849 8.267 ( 12.046 -1.645 0.000) 12.158 8.744 ( -1.905 0.857 0.000) 2.089 8.795 ( -3.154 -0.910 0.000) 3.283 8.940 ( -8.673 0.221 0.000) 8.676 18.843 ( -1.519 0.039 0.000) 1.519 19.499 ( -0.804 -0.766 0.000) 1.110 19.762 ( -4.449 -2.374 0.000) 5.043 20.032 ( -7.285 0.724 0.000) 7.321 21.500 ( 27.696 -0.499 0.000) 27.701 22.028 ( 26.583 1.366 0.000) 26.618 22.947 ( 18.066 -4.276 0.000) 18.565 23.010 ( 8.577 -2.350 0.000) 8.893 23.733 ( 4.934 0.600 0.000) 4.971 25.308 ( -0.408 -1.588 0.000) 1.640 26.219 ( 6.661 0.754 0.000) 6.703 26.616 ( 12.169 -1.187 0.000) 12.227 47.891 ( 0.836 -0.013 0.000) 0.836 48.448 ( -0.483 -0.855 0.000) 0.982 48.972 ( -16.004 -0.221 0.000) 16.006 49.411 ( -21.817 0.427 0.000) 21.822 97.572 ( 1.772 1.003 0.000) 2.037 97.664 ( 1.624 -2.929 0.000) 3.349 98.039 ( 5.251 1.597 0.000) 5.488 98.258 ( -1.653 -3.333 0.000) 3.721 99.025 ( -5.324 -1.701 0.000) 5.589 99.296 ( 0.970 -0.601 0.000) 1.141 102.306 ( 7.251 0.964 0.000) 7.315 103.814 ( 3.159 -0.279 0.000) 3.171======================= Grid point 56 (33/168) =======================q-point: ( 0.33 0.40 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 248Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.642 ( 2.041 2.440 0.000) 3.181 1.932 ( 2.096 8.806 0.000) 9.052 2.423 ( -6.548 -5.177 0.000) 8.347 2.428 ( 4.343 -0.886 0.000) 4.432 2.877 ( 5.538 -3.043 0.000) 6.319 2.896 ( -1.081 -11.151 0.000) 11.203 3.111 ( 11.443 0.543 0.000) 11.456 3.783 ( 4.573 2.776 0.000) 5.350 3.911 ( 2.954 -2.990 0.000) 4.203 4.045 ( 0.801 0.213 0.000) 0.829 4.515 ( 1.525 1.758 0.000) 2.327 4.810 ( -0.849 2.497 0.000) 2.638 4.939 ( 4.827 1.587 0.000) 5.082 5.132 ( 0.662 -3.306 0.000) 3.371 5.685 ( -2.668 0.942 0.000) 2.829 5.703 ( 2.693 -0.717 0.000) 2.787 5.985 ( 3.204 0.241 0.000) 3.213 6.372 ( -5.942 -0.255 0.000) 5.948 7.942 ( -1.370 0.537 0.000) 1.472 8.147 ( 1.565 -0.125 0.000) 1.570 8.467 ( 8.007 0.474 0.000) 8.021 8.732 ( -0.358 -1.082 0.000) 1.140 8.766 ( 0.579 -1.065 0.000) 1.212 8.798 ( -5.096 0.330 0.000) 5.107 18.816 ( -1.147 0.190 0.000) 1.162 19.496 ( 0.575 0.053 0.000) 0.578 19.684 ( -3.104 -2.441 0.000) 3.949 19.890 ( -6.782 0.210 0.000) 6.786 22.038 ( 24.680 -0.533 0.000) 24.686 22.548 ( 24.142 1.119 0.000) 24.168 23.141 ( 5.485 -2.513 0.000) 6.033 23.255 ( 10.670 -4.059 0.000) 11.416 23.841 ( 5.437 1.341 0.000) 5.600 25.316 ( 0.988 -1.734 0.000) 1.995 26.341 ( 5.279 0.351 0.000) 5.291 26.828 ( 8.729 -1.255 0.000) 8.819 47.929 ( 3.230 -0.046 0.000) 3.230 48.439 ( -0.365 -1.057 0.000) 1.118 48.660 ( -14.190 -0.432 0.000) 14.197 48.969 ( -21.413 0.297 0.000) 21.415 97.583 ( -0.372 1.478 0.000) 1.524 97.685 ( 0.535 -3.453 0.000) 3.495 98.119 ( 2.627 1.729 0.000) 3.145 98.232 ( -0.967 -3.279 0.000) 3.419 98.934 ( -3.557 -0.966 0.000) 3.685 99.316 ( 0.940 -0.391 0.000) 1.018 102.451 ( 6.767 0.428 0.000) 6.780 103.888 ( 3.866 -0.233 0.000) 3.873======================= Grid point 57 (34/168) =======================q-point: ( 0.42 0.40 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 240Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.702 ( 3.278 -1.021 0.000) 3.434 2.012 ( 5.914 1.661 0.000) 6.143 2.299 ( -4.939 -4.176 0.000) 6.467 2.393 ( -7.228 -9.432 0.000) 11.883 2.959 ( 6.809 -2.190 0.000) 7.152 2.985 ( 4.606 1.283 0.000) 4.782 3.262 ( 3.153 0.901 0.000) 3.279 3.719 ( -5.189 1.950 0.000) 5.544 3.965 ( -0.704 -1.243 0.000) 1.429 4.086 ( 3.151 -3.851 0.000) 4.976 4.570 ( 3.049 0.764 0.000) 3.143 4.798 ( -0.383 3.347 0.000) 3.369 5.020 ( 2.850 1.310 0.000) 3.137 5.144 ( 0.454 -3.449 0.000) 3.478 5.589 ( -3.500 1.361 0.000) 3.755 5.814 ( 4.584 0.263 0.000) 4.592 6.043 ( 2.330 0.008 0.000) 2.330 6.270 ( -3.946 -0.604 0.000) 3.992 7.922 ( -0.681 0.795 0.000) 1.047 8.151 ( -0.431 0.649 0.000) 0.779 8.592 ( 4.379 1.039 0.000) 4.501 8.703 ( -2.060 0.347 0.000) 2.089 8.735 ( -0.926 -1.324 0.000) 1.616 8.809 ( 2.056 -1.626 0.000) 2.621 18.798 ( -0.585 0.274 0.000) 0.646 19.518 ( 1.377 1.313 0.000) 1.903 19.644 ( -0.660 -2.621 0.000) 2.702 19.763 ( -5.692 -0.783 0.000) 5.745 22.453 ( 15.486 -0.572 0.000) 15.496 22.967 ( 16.613 0.959 0.000) 16.641 23.212 ( 1.664 -3.212 0.000) 3.617 23.384 ( 2.314 -3.030 0.000) 3.813 23.935 ( 3.493 2.127 0.000) 4.089 25.338 ( 0.921 -1.883 0.000) 2.096 26.425 ( 2.869 0.031 0.000) 2.869 26.962 ( 4.524 -1.313 0.000) 4.711 48.029 ( 6.704 0.037 0.000) 6.704 48.423 ( -6.082 -0.893 0.000) 6.147 48.438 ( -2.592 -0.815 0.000) 2.717 48.574 ( -17.115 -0.068 0.000) 17.115 97.569 ( -0.693 1.811 0.000) 1.939 97.689 ( 0.000 -4.110 0.000) 4.110 98.151 ( 0.764 1.140 0.000) 1.372 98.219 ( -0.384 -2.015 0.000) 2.052 98.883 ( -1.599 -0.569 0.000) 1.697 99.331 ( 0.523 -0.248 0.000) 0.579 102.563 ( 4.037 0.194 0.000) 4.042 103.956 ( 2.557 -0.229 0.000) 2.567======================= Grid point 58 (35/168) =======================q-point: (-0.50 0.40 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 144Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.742 ( 0.000 -2.226 0.000) 2.226 2.127 ( 0.000 -4.108 0.000) 4.108 2.238 ( 0.000 -6.600 0.000) 6.600 2.262 ( -0.000 -5.551 0.000) 5.551 3.035 ( 0.000 2.917 0.000) 2.917 3.065 ( 0.000 1.545 0.000) 1.545 3.268 ( 0.000 -0.285 0.000) 0.285 3.659 ( 0.000 1.757 0.000) 1.757 3.949 ( 0.000 -2.703 0.000) 2.703 4.119 ( 0.000 -3.535 0.000) 3.535 4.606 ( 0.000 -0.090 0.000) 0.090 4.794 ( 0.000 3.732 0.000) 3.732 5.049 ( 0.000 0.792 0.000) 0.792 5.149 ( 0.000 -3.301 0.000) 3.301 5.553 ( 0.000 1.732 0.000) 1.732 5.864 ( 0.000 0.745 0.000) 0.745 6.069 ( 0.000 -0.452 0.000) 0.452 6.226 ( 0.000 -0.508 0.000) 0.508 7.915 ( 0.000 0.909 0.000) 0.909 8.145 ( 0.000 0.984 0.000) 0.984 8.642 ( 0.000 0.561 0.000) 0.561 8.676 ( 0.000 1.546 0.000) 1.546 8.728 ( 0.000 -2.120 0.000) 2.120 8.831 ( 0.000 -1.637 0.000) 1.637 18.792 ( 0.000 0.301 0.000) 0.301 19.535 ( 0.000 2.032 0.000) 2.032 19.666 ( -0.000 0.764 0.000) 0.764 19.672 ( 0.000 -4.872 0.000) 4.872 22.619 ( 0.000 -0.528 0.000) 0.528 23.160 ( 0.000 1.203 0.000) 1.203 23.223 ( 0.000 -3.475 0.000) 3.475 23.385 ( 0.000 -3.004 0.000) 3.004 23.971 ( 0.000 2.479 0.000) 2.479 25.348 ( 0.000 -1.942 0.000) 1.942 26.454 ( 0.000 -0.091 0.000) 0.091 27.008 ( 0.000 -1.341 0.000) 1.341 48.154 ( 0.000 0.385 0.000) 0.385 48.333 ( 0.000 -0.160 0.000) 0.160 48.343 ( -0.000 -0.740 0.000) 0.740 48.435 ( 0.000 -1.416 0.000) 1.416 97.562 ( 0.000 1.939 0.000) 1.939 97.688 ( 0.000 -4.411 0.000) 4.411 98.158 ( 0.000 0.682 0.000) 0.682 98.215 ( 0.000 -1.228 0.000) 1.228 98.867 ( 0.000 -0.459 0.000) 0.459 99.336 ( 0.000 -0.196 0.000) 0.196 102.605 ( 0.000 0.140 0.000) 0.140 103.983 ( 0.000 -0.227 0.000) 0.227======================= Grid point 65 (36/168) =======================q-point: ( 0.00 -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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.840 ( 0.000 0.000 0.000) 0.000 1.893 ( 0.000 0.000 0.000) 0.000 1.927 ( 0.000 0.000 0.000) 0.000 2.026 ( 0.000 0.000 0.000) 0.000 2.491 ( 0.000 0.000 0.000) 0.000 2.546 ( 0.000 -0.000 0.000) 0.000 2.549 ( 0.000 -0.000 0.000) 0.000 2.580 ( 0.000 0.000 0.000) 0.000 3.759 ( 0.000 0.000 0.000) 0.000 4.236 ( 0.000 0.000 0.000) 0.000 4.632 ( 0.000 0.000 0.000) 0.000 4.846 ( 0.000 0.000 0.000) 0.000 4.928 ( 0.000 0.000 0.000) 0.000 4.940 ( 0.000 0.000 0.000) 0.000 5.310 ( 0.000 0.000 0.000) 0.000 5.889 ( 0.000 0.000 0.000) 0.000 6.272 ( 0.000 0.000 0.000) 0.000 6.796 ( 0.000 0.000 0.000) 0.000 7.513 ( 0.000 0.000 0.000) 0.000 7.522 ( 0.000 0.000 0.000) 0.000 8.074 ( 0.000 0.000 0.000) 0.000 8.849 ( 0.000 0.000 0.000) 0.000 9.088 ( 0.000 0.000 0.000) 0.000 9.360 ( 0.000 0.000 0.000) 0.000 18.903 ( 0.000 0.000 0.000) 0.000 19.558 ( 0.000 0.000 0.000) 0.000 19.944 ( 0.000 0.000 0.000) 0.000 20.418 ( 0.000 0.000 0.000) 0.000 20.514 ( 0.000 0.000 0.000) 0.000 20.847 ( 0.000 0.000 0.000) 0.000 21.934 ( 0.000 0.000 0.000) 0.000 22.671 ( 0.000 0.000 0.000) 0.000 23.596 ( 0.000 0.000 0.000) 0.000 25.497 ( 0.000 0.000 0.000) 0.000 25.921 ( 0.000 0.000 0.000) 0.000 25.950 ( 0.000 0.000 0.000) 0.000 47.901 ( 0.000 0.000 0.000) 0.000 48.466 ( 0.000 0.000 0.000) 0.000 49.576 ( 0.000 0.000 0.000) 0.000 50.213 ( 0.000 0.000 0.000) 0.000 97.393 ( 0.000 0.000 0.000) 0.000 97.407 ( 0.000 0.000 0.000) 0.000 97.874 ( 0.000 0.000 0.000) 0.000 98.323 ( 0.000 0.000 0.000) 0.000 99.235 ( 0.000 0.000 0.000) 0.000 99.261 ( 0.000 0.000 0.000) 0.000 102.087 ( 0.000 0.000 0.000) 0.000 103.763 ( 0.000 0.000 0.000) 0.000======================= Grid point 67 (37/168) =======================q-point: ( 0.08 -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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 144Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.850 ( -1.677 0.000 0.000) 1.677 1.924 ( 3.210 0.000 0.000) 3.210 2.086 ( 14.295 0.000 0.000) 14.295 2.143 ( 12.135 0.000 0.000) 12.135 2.437 ( -3.032 -0.000 0.000) 3.032 2.511 ( 0.804 0.000 0.000) 0.804 2.696 ( 7.847 -0.000 0.000) 7.847 2.707 ( 11.492 0.000 0.000) 11.492 3.742 ( -0.721 0.000 0.000) 0.721 4.190 ( -3.926 0.000 0.000) 3.926 4.615 ( -1.615 0.000 0.000) 1.615 4.819 ( -1.925 0.000 0.000) 1.925 4.942 ( -0.471 0.000 0.000) 0.471 4.969 ( 3.528 0.000 0.000) 3.528 5.339 ( 3.135 0.000 0.000) 3.135 5.883 ( -0.352 0.000 0.000) 0.352 6.189 ( -7.252 0.000 0.000) 7.252 6.755 ( -3.937 0.000 0.000) 3.937 7.614 ( 9.256 0.000 0.000) 9.256 7.660 ( 12.334 0.000 0.000) 12.334 8.059 ( -1.399 0.000 0.000) 1.399 8.836 ( -1.274 0.000 0.000) 1.274 9.033 ( -5.170 0.000 0.000) 5.170 9.293 ( -6.286 0.000 0.000) 6.286 18.895 ( -0.816 0.000 0.000) 0.816 19.544 ( -1.307 0.000 0.000) 1.307 19.912 ( -3.069 0.000 0.000) 3.069 20.370 ( -9.471 0.000 0.000) 9.471 20.566 ( 14.225 0.000 0.000) 14.225 21.085 ( 18.626 0.000 0.000) 18.626 22.096 ( 15.180 0.000 0.000) 15.180 22.717 ( 4.407 0.000 0.000) 4.407 23.608 ( 1.295 0.000 0.000) 1.295 25.418 ( -5.569 0.000 0.000) 5.569 25.991 ( 3.894 0.000 0.000) 3.894 26.067 ( 12.059 0.000 0.000) 12.059 47.896 ( -0.424 0.000 0.000) 0.424 48.462 ( -0.395 0.000 0.000) 0.395 49.496 ( -7.757 0.000 0.000) 7.757 50.109 ( -10.121 0.000 0.000) 10.121 97.441 ( 3.190 0.000 0.000) 3.190 97.459 ( 5.750 0.000 0.000) 5.750 97.887 ( 1.523 0.000 0.000) 1.523 98.308 ( -1.419 0.000 0.000) 1.419 99.200 ( -3.306 0.000 0.000) 3.306 99.263 ( 0.243 0.000 0.000) 0.243 102.113 ( 2.565 0.000 0.000) 2.565 103.758 ( -0.232 0.000 0.000) 0.232======================= Grid point 69 (38/168) =======================q-point: ( 0.17 -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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 144Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.781 ( -4.249 0.000 0.000) 4.249 2.006 ( 4.244 0.000 0.000) 4.244 2.368 ( 6.905 0.000 0.000) 6.905 2.392 ( -0.743 -0.000 0.000) 0.743 2.440 ( 19.211 0.000 0.000) 19.211 2.588 ( 6.480 0.000 0.000) 6.480 2.799 ( 0.885 0.000 0.000) 0.885 3.027 ( 20.272 0.000 0.000) 20.272 3.782 ( 5.126 0.000 0.000) 5.126 4.111 ( -3.173 0.000 0.000) 3.173 4.573 ( -2.286 0.000 0.000) 2.286 4.791 ( -0.445 0.000 0.000) 0.445 4.914 ( -1.943 0.000 0.000) 1.943 5.043 ( 3.221 0.000 0.000) 3.221 5.433 ( 5.769 0.000 0.000) 5.769 5.886 ( 0.814 0.000 0.000) 0.814 6.019 ( -8.893 0.000 0.000) 8.893 6.648 ( -6.432 0.000 0.000) 6.432 7.839 ( 11.743 0.000 0.000) 11.743 7.954 ( 15.561 0.000 0.000) 15.561 8.023 ( -1.957 0.000 0.000) 1.957 8.801 ( -2.031 0.000 0.000) 2.031 8.902 ( -7.123 0.000 0.000) 7.123 9.128 ( -9.386 0.000 0.000) 9.386 18.872 ( -1.353 0.000 0.000) 1.353 19.513 ( -1.502 0.000 0.000) 1.502 19.831 ( -4.619 0.000 0.000) 4.619 20.193 ( -8.037 0.000 0.000) 8.037 20.962 ( 24.166 0.000 0.000) 24.166 21.523 ( 24.300 0.000 0.000) 24.300 22.484 ( 21.609 0.000 0.000) 21.609 22.837 ( 7.153 0.000 0.000) 7.153 23.653 ( 3.230 0.000 0.000) 3.230 25.326 ( -3.171 0.000 0.000) 3.171 26.096 ( 6.204 0.000 0.000) 6.204 26.338 ( 13.878 0.000 0.000) 13.878 47.887 ( -0.308 0.000 0.000) 0.308 48.452 ( -0.601 0.000 0.000) 0.601 49.276 ( -13.646 0.000 0.000) 13.646 49.822 ( -17.885 0.000 0.000) 17.885 97.520 ( 4.148 0.000 0.000) 4.148 97.574 ( 4.471 0.000 0.000) 4.471 97.948 ( 4.707 0.000 0.000) 4.707 98.270 ( -2.267 0.000 0.000) 2.267 99.112 ( -5.143 0.000 0.000) 5.143 99.272 ( 0.680 0.000 0.000) 0.680 102.191 ( 5.169 0.000 0.000) 5.169 103.765 ( 1.207 0.000 0.000) 1.207======================= Grid point 71 (39/168) =======================q-point: ( 0.25 -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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 144Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.703 ( -3.078 0.000 0.000) 3.078 2.062 ( 0.941 0.000 0.000) 0.941 2.416 ( 2.619 -0.000 0.000) 2.619 2.424 ( -0.715 0.000 0.000) 0.715 2.718 ( 6.212 0.000 0.000) 6.212 2.747 ( -3.658 0.000 0.000) 3.658 2.820 ( 17.341 0.000 0.000) 17.341 3.465 ( 21.180 0.000 0.000) 21.180 3.888 ( 3.050 0.000 0.000) 3.050 4.074 ( -0.837 0.000 0.000) 0.837 4.534 ( -1.201 0.000 0.000) 1.201 4.817 ( 2.722 0.000 0.000) 2.722 4.886 ( -0.050 0.000 0.000) 0.050 5.086 ( 1.055 0.000 0.000) 1.055 5.559 ( 6.554 0.000 0.000) 6.554 5.841 ( -7.980 0.000 0.000) 7.980 5.926 ( 2.541 0.000 0.000) 2.541 6.507 ( -7.218 0.000 0.000) 7.218 7.976 ( -1.360 0.000 0.000) 1.360 8.053 ( 7.445 0.000 0.000) 7.445 8.249 ( 13.181 0.000 0.000) 13.181 8.759 ( -2.079 -0.000 0.000) 2.079 8.780 ( -4.142 0.000 0.000) 4.142 8.943 ( -8.484 0.000 0.000) 8.484 18.844 ( -1.427 0.000 0.000) 1.427 19.492 ( -0.472 0.000 0.000) 0.472 19.737 ( -4.503 0.000 0.000) 4.503 20.039 ( -7.400 0.000 0.000) 7.400 21.496 ( 27.693 0.000 0.000) 27.693 22.041 ( 26.462 0.000 0.000) 26.462 22.905 ( 18.985 0.000 0.000) 18.985 22.988 ( 7.344 0.000 0.000) 7.344 23.739 ( 5.245 0.000 0.000) 5.245 25.292 ( -0.456 0.000 0.000) 0.456 26.226 ( 6.458 0.000 0.000) 6.458 26.603 ( 12.119 0.000 0.000) 12.119 47.890 ( 0.806 0.000 0.000) 0.806 48.439 ( -0.590 0.000 0.000) 0.590 48.970 ( -16.115 0.000 0.000) 16.115 49.415 ( -21.815 0.000 0.000) 21.815 97.591 ( 2.610 0.000 0.000) 2.610 97.624 ( 0.865 0.000 0.000) 0.865 98.059 ( 5.465 0.000 0.000) 5.465 98.224 ( -2.094 0.000 0.000) 2.094 99.008 ( -4.883 0.000 0.000) 4.883 99.290 ( 1.076 0.000 0.000) 1.076 102.315 ( 6.910 0.000 0.000) 6.910 103.811 ( 3.225 0.000 0.000) 3.225======================= Grid point 73 (40/168) =======================q-point: ( 0.33 -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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 144Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.669 ( -0.204 0.000 0.000) 0.204 2.061 ( -0.323 0.000 0.000) 0.323 2.351 ( -5.965 0.000 0.000) 5.965 2.411 ( -4.393 -0.000 0.000) 4.393 2.760 ( 6.291 0.000 0.000) 6.291 2.854 ( 7.339 0.000 0.000) 7.339 3.120 ( 11.791 0.000 0.000) 11.791 3.823 ( 13.423 -0.000 0.000) 13.423 3.864 ( -4.875 0.000 0.000) 4.875 4.050 ( -2.024 0.000 0.000) 2.024 4.536 ( 1.419 0.000 0.000) 1.419 4.838 ( -0.142 0.000 0.000) 0.142 4.955 ( 5.240 0.000 0.000) 5.240 5.095 ( 0.217 0.000 0.000) 0.217 5.693 ( 6.732 -0.000 0.000) 6.732 5.697 ( -6.072 0.000 0.000) 6.072 5.988 ( 3.201 0.000 0.000) 3.201 6.369 ( -6.267 0.000 0.000) 6.267 7.947 ( -1.220 0.000 0.000) 1.220 8.147 ( 1.928 0.000 0.000) 1.928 8.472 ( 8.792 0.000 0.000) 8.792 8.721 ( -1.554 -0.000 0.000) 1.554 8.752 ( 1.034 0.000 0.000) 1.034 8.803 ( -5.233 0.000 0.000) 5.233 18.818 ( -1.087 0.000 0.000) 1.087 19.498 ( 1.216 0.000 0.000) 1.216 19.657 ( -3.363 0.000 0.000) 3.363 19.893 ( -7.087 0.000 0.000) 7.087 22.033 ( 24.656 0.000 0.000) 24.656 22.558 ( 24.015 0.000 0.000) 24.015 23.116 ( 4.981 0.000 0.000) 4.981 23.215 ( 11.316 0.000 0.000) 11.316 23.855 ( 5.864 0.000 0.000) 5.864 25.299 ( 0.898 0.000 0.000) 0.898 26.345 ( 5.085 0.000 0.000) 5.085 26.815 ( 8.702 0.000 0.000) 8.702 47.929 ( 3.234 0.000 0.000) 3.234 48.429 ( -0.454 0.000 0.000) 0.454 48.656 ( -14.282 0.000 0.000) 14.282 48.971 ( -21.525 0.000 0.000) 21.525 97.621 ( 0.441 -0.000 0.000) 0.441 97.626 ( -0.389 0.000 0.000) 0.389 98.147 ( 3.148 0.000 0.000) 3.148 98.190 ( -1.233 -0.000 0.000) 1.233 98.925 ( -3.262 0.000 0.000) 3.262 99.312 ( 1.023 0.000 0.000) 1.023 102.455 ( 6.581 0.000 0.000) 6.581 103.886 ( 3.873 0.000 0.000) 3.873======================= Grid point 75 (41/168) =======================q-point: ( 0.42 -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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 144Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.691 ( 2.030 0.000 0.000) 2.030 2.066 ( 0.914 0.000 0.000) 0.914 2.219 ( -6.135 0.000 0.000) 6.135 2.295 ( -5.608 -0.000 0.000) 5.608 2.941 ( 10.037 0.000 0.000) 10.037 2.997 ( 6.117 0.000 0.000) 6.117 3.273 ( 2.838 0.000 0.000) 2.838 3.741 ( -5.725 0.000 0.000) 5.725 3.951 ( -1.509 0.000 0.000) 1.509 4.044 ( 3.188 0.000 0.000) 3.188 4.578 ( 2.233 0.000 0.000) 2.233 4.836 ( -0.036 0.000 0.000) 0.036 5.037 ( 2.589 0.000 0.000) 2.589 5.102 ( 0.444 0.000 0.000) 0.444 5.603 ( -3.179 0.000 0.000) 3.179 5.817 ( 5.019 0.000 0.000) 5.019 6.043 ( 2.009 -0.000 0.000) 2.009 6.264 ( -3.964 0.000 0.000) 3.964 7.929 ( -0.571 0.000 0.000) 0.571 8.159 ( -0.110 0.000 0.000) 0.110 8.604 ( 4.361 0.000 0.000) 4.361 8.697 ( -0.901 0.000 0.000) 0.901 8.731 ( -2.084 0.000 0.000) 2.084 8.790 ( 1.985 0.000 0.000) 1.985 18.801 ( -0.556 0.000 0.000) 0.556 19.541 ( 2.899 0.000 0.000) 2.899 19.604 ( -1.764 0.000 0.000) 1.764 19.758 ( -6.090 0.000 0.000) 6.090 22.448 ( 15.503 0.000 0.000) 15.503 22.976 ( 16.617 0.000 0.000) 16.617 23.180 ( 1.385 0.000 0.000) 1.385 23.354 ( 2.602 0.000 0.000) 2.602 23.957 ( 3.825 0.000 0.000) 3.825 25.318 ( 0.859 0.000 0.000) 0.859 26.425 ( 2.749 0.000 0.000) 2.749 26.949 ( 4.502 0.000 0.000) 4.502 48.029 ( 6.802 0.000 0.000) 6.802 48.413 ( -4.650 0.000 0.000) 4.650 48.430 ( -3.989 0.000 0.000) 3.989 48.573 ( -17.432 0.000 0.000) 17.432 97.617 ( -0.418 -0.000 0.000) 0.418 97.618 ( -0.410 0.000 0.000) 0.410 98.173 ( -0.506 0.000 0.000) 0.506 98.188 ( 1.156 -0.000 0.000) 1.156 98.877 ( -1.478 0.000 0.000) 1.478 99.328 ( 0.572 0.000 0.000) 0.572 102.565 ( 3.975 0.000 0.000) 3.975 103.953 ( 2.559 0.000 0.000) 2.559======================= Grid point 77 (42/168) =======================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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.720 ( 0.000 0.000 0.000) 0.000 2.084 ( 0.000 0.000 0.000) 0.000 2.148 ( 0.000 0.000 0.000) 0.000 2.228 ( 0.000 0.000 0.000) 0.000 3.066 ( 0.000 0.000 0.000) 0.000 3.081 ( 0.000 0.000 0.000) 0.000 3.265 ( 0.000 0.000 0.000) 0.000 3.681 ( 0.000 0.000 0.000) 0.000 3.918 ( 0.000 0.000 0.000) 0.000 4.081 ( 0.000 0.000 0.000) 0.000 4.605 ( 0.000 0.000 0.000) 0.000 4.836 ( 0.000 0.000 0.000) 0.000 5.061 ( 0.000 0.000 0.000) 0.000 5.108 ( 0.000 0.000 0.000) 0.000 5.571 ( 0.000 0.000 0.000) 0.000 5.872 ( 0.000 0.000 0.000) 0.000 6.063 ( 0.000 0.000 0.000) 0.000 6.221 ( 0.000 0.000 0.000) 0.000 7.923 ( 0.000 0.000 0.000) 0.000 8.157 ( 0.000 0.000 0.000) 0.000 8.650 ( 0.000 0.000 0.000) 0.000 8.686 ( 0.000 0.000 0.000) 0.000 8.711 ( 0.000 0.000 0.000) 0.000 8.812 ( 0.000 0.000 0.000) 0.000 18.795 ( 0.000 0.000 0.000) 0.000 19.587 ( 0.000 0.000 0.000) 0.000 19.592 ( 0.000 -0.000 0.000) 0.000 19.674 ( 0.000 0.000 0.000) 0.000 22.614 ( 0.000 0.000 0.000) 0.000 23.171 ( 0.000 0.000 0.000) 0.000 23.188 ( 0.000 0.000 0.000) 0.000 23.355 ( 0.000 0.000 0.000) 0.000 23.997 ( 0.000 0.000 0.000) 0.000 25.328 ( 0.000 0.000 0.000) 0.000 26.453 ( 0.000 0.000 0.000) 0.000 26.994 ( 0.000 0.000 0.000) 0.000 48.158 ( 0.000 0.000 0.000) 0.000 48.333 ( 0.000 -0.000 0.000) 0.000 48.334 ( -0.000 0.000 0.000) 0.000 48.421 ( 0.000 0.000 0.000) 0.000 97.612 ( 0.000 -0.000 0.000) 0.000 97.613 ( 0.000 0.000 0.000) 0.000 98.168 ( 0.000 0.000 0.000) 0.000 98.199 ( 0.000 0.000 0.000) 0.000 98.863 ( 0.000 0.000 0.000) 0.000 99.334 ( 0.000 0.000 0.000) 0.000 102.606 ( 0.000 0.000 0.000) 0.000 103.980 ( 0.000 0.000 0.000) 0.000======================= Grid point 143 (43/168) =======================q-point: ( 0.00 0.00 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 126Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.335 ( 0.000 0.000 17.211) 17.211 0.552 ( 0.000 0.000 28.307) 28.307 0.942 ( 0.000 0.000 47.829) 47.829 1.357 ( 0.000 0.000 -6.222) 6.222 2.222 ( 0.000 0.000 -8.895) 8.895 2.854 ( 0.000 0.000 2.838) 2.838 3.126 ( 0.000 0.000 -1.690) 1.690 3.581 ( 0.000 0.000 -11.858) 11.858 3.671 ( 0.000 0.000 3.655) 3.655 4.328 ( 0.000 0.000 5.985) 5.985 4.480 ( 0.000 0.000 -12.667) 12.667 4.857 ( 0.000 0.000 3.095) 3.095 4.930 ( 0.000 0.000 0.104) 0.104 4.945 ( 0.000 0.000 -0.134) 0.134 5.599 ( 0.000 0.000 -8.194) 8.194 5.937 ( 0.000 0.000 -8.222) 8.222 6.314 ( 0.000 0.000 11.238) 11.238 6.609 ( 0.000 0.000 4.905) 4.905 7.504 ( 0.000 0.000 0.316) 0.316 7.544 ( 0.000 0.000 -0.313) 0.313 8.780 ( 0.000 0.000 -2.979) 2.979 8.815 ( 0.000 0.000 -0.491) 0.491 8.994 ( 0.000 0.000 4.446) 4.446 9.205 ( 0.000 0.000 -1.343) 1.343 18.990 ( 0.000 0.000 4.443) 4.443 19.650 ( 0.000 0.000 -6.163) 6.163 20.394 ( 0.000 0.000 -0.394) 0.394 20.424 ( 0.000 0.000 -0.476) 0.476 20.674 ( 0.000 0.000 1.391) 1.391 20.901 ( 0.000 0.000 -2.284) 2.284 21.960 ( 0.000 0.000 6.439) 6.439 22.573 ( 0.000 0.000 -3.822) 3.822 24.930 ( 0.000 0.000 6.357) 6.357 25.678 ( 0.000 0.000 -5.526) 5.526 25.812 ( 0.000 0.000 0.133) 0.133 25.831 ( 0.000 0.000 -0.160) 0.160 47.910 ( 0.000 0.000 3.780) 3.780 48.482 ( 0.000 0.000 -5.859) 5.859 49.634 ( 0.000 0.000 4.370) 4.370 50.014 ( 0.000 0.000 -2.233) 2.233 97.377 ( 0.000 0.000 0.071) 0.071 97.387 ( 0.000 0.000 -0.072) 0.072 97.707 ( 0.000 0.000 1.307) 1.307 97.937 ( 0.000 0.000 -2.663) 2.663 99.469 ( 0.000 0.000 8.870) 8.870 100.957 ( 0.000 0.000 -22.964) 22.964 102.224 ( 0.000 0.000 22.404) 22.404 103.576 ( 0.000 0.000 -6.942) 6.942======================= Grid point 144 (44/168) =======================q-point: ( 0.08 0.00 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 216Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.735 ( 16.196 0.000 19.647) 25.462 0.769 ( 20.228 0.000 17.344) 26.646 1.185 ( 27.847 0.000 30.374) 41.207 1.589 ( 20.312 0.000 -4.869) 20.888 2.211 ( 0.510 0.000 -6.471) 6.491 2.936 ( 7.149 0.000 2.866) 7.703 3.295 ( 9.441 0.000 -2.409) 9.743 3.579 ( 0.437 0.000 -11.051) 11.060 3.599 ( -1.950 0.000 6.339) 6.632 4.235 ( -5.259 0.000 5.652) 7.720 4.448 ( -3.039 0.000 -12.038) 12.416 4.774 ( -5.421 0.000 2.565) 5.997 4.985 ( 2.345 0.000 -0.344) 2.370 5.158 ( 10.835 0.000 -11.446) 15.761 5.597 ( 0.102 0.000 -6.893) 6.894 5.854 ( -5.071 0.000 1.987) 5.447 6.240 ( -6.272 0.000 9.460) 11.350 6.467 ( -6.295 0.000 1.181) 6.405 7.645 ( 12.534 0.000 0.448) 12.542 7.768 ( 11.175 0.000 -7.225) 13.307 8.676 ( -7.502 0.000 4.626) 8.813 8.812 ( -0.223 0.000 -0.462) 0.513 8.888 ( -5.722 0.000 8.407) 10.170 9.155 ( -4.698 0.000 -1.224) 4.855 18.975 ( -1.504 0.000 4.514) 4.758 19.651 ( -0.501 0.000 -6.586) 6.605 20.255 ( -11.578 0.000 5.938) 13.012 20.289 ( -10.205 0.000 0.402) 10.213 20.751 ( 9.334 0.000 7.161) 11.764 20.860 ( 15.480 0.000 0.247) 15.482 22.672 ( 9.199 0.000 -3.161) 9.727 22.715 ( 36.027 0.000 -29.452) 46.534 24.512 ( -22.738 0.000 24.285) 33.268 25.524 ( -8.077 0.000 -5.397) 9.714 25.942 ( 7.177 0.000 3.258) 7.882 26.057 ( 14.999 0.000 -0.930) 15.028 47.909 ( -0.061 0.000 3.772) 3.773 48.468 ( -0.575 0.000 -4.990) 5.023 49.539 ( -8.159 0.000 5.060) 9.601 49.922 ( -8.923 0.000 -2.151) 9.179 97.430 ( 3.987 0.000 0.480) 4.016 97.709 ( 0.870 0.000 0.686) 1.108 97.936 ( -0.031 0.000 -2.488) 2.489 97.989 ( 34.285 0.000 -36.474) 50.059 99.421 ( -4.535 0.000 8.183) 9.356 100.432 ( -35.721 0.000 10.932) 37.356 102.109 ( -0.696 0.000 27.073) 27.082 103.595 ( 1.900 0.000 -7.145) 7.393======================= Grid point 145 (45/168) =======================q-point: ( 0.17 0.00 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 216Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.078 ( 14.116 0.000 22.631) 26.673 1.126 ( 21.349 0.000 11.357) 24.182 1.889 ( 36.165 0.000 11.038) 37.812 2.054 ( 23.469 0.000 -3.960) 23.801 2.259 ( 4.377 0.000 -5.134) 6.746 3.072 ( 4.554 0.000 2.064) 5.000 3.337 ( -3.501 0.000 8.754) 9.429 3.640 ( 6.454 0.000 -7.758) 10.092 3.726 ( 12.124 0.000 -2.649) 12.410 4.136 ( -4.423 0.000 3.447) 5.608 4.368 ( -4.603 0.000 -10.708) 11.656 4.666 ( -5.136 0.000 2.032) 5.523 4.994 ( -1.309 0.000 -1.429) 1.938 5.290 ( 3.158 0.000 -10.172) 10.651 5.613 ( 1.345 0.000 -4.274) 4.480 5.794 ( -1.112 0.000 5.128) 5.247 6.107 ( -6.185 0.000 6.119) 8.701 6.382 ( -3.028 0.000 -6.619) 7.279 7.906 ( 3.596 0.000 -1.358) 3.844 7.938 ( 15.093 0.000 -0.374) 15.098 8.550 ( -5.475 0.000 5.214) 7.561 8.785 ( -4.456 0.000 6.739) 8.079 8.810 ( 0.136 0.000 -0.516) 0.534 9.033 ( -6.891 0.000 -0.787) 6.936 18.935 ( -2.291 0.000 4.711) 5.238 19.625 ( -1.776 0.000 -6.010) 6.267 20.064 ( -11.520 0.000 0.774) 11.546 20.092 ( -5.226 0.000 1.542) 5.449 21.111 ( 23.554 0.000 2.876) 23.729 21.255 ( 23.139 0.000 -0.379) 23.142 22.909 ( 13.379 0.000 -1.922) 13.516 23.221 ( 17.171 0.000 -21.506) 27.520 24.198 ( -9.810 0.000 21.121) 23.288 25.405 ( -3.725 0.000 -6.963) 7.896 26.085 ( 7.413 0.000 6.734) 10.015 26.368 ( 15.382 0.000 -0.997) 15.414 47.910 ( 0.246 0.000 3.739) 3.747 48.465 ( 0.104 0.000 -5.406) 5.407 49.324 ( -12.883 0.000 4.319) 13.587 49.668 ( -15.893 0.000 -1.866) 16.002 97.524 ( 4.601 0.000 1.579) 4.864 97.730 ( 1.354 0.000 0.695) 1.522 97.945 ( 1.272 0.000 -1.913) 2.297 98.451 ( 12.857 0.000 -33.219) 35.621 99.299 ( -7.208 0.000 6.498) 9.704 99.844 ( -22.335 0.000 14.901) 26.849 102.199 ( 7.725 0.000 19.658) 21.122 103.652 ( 3.679 0.000 -7.552) 8.400======================= Grid point 146 (46/168) =======================q-point: ( 0.25 0.00 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 216Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.372 ( 14.961 0.000 17.116) 22.733 1.565 ( 21.730 0.000 7.149) 22.875 2.357 ( 7.749 0.000 -2.614) 8.178 2.465 ( 16.054 0.000 -4.839) 16.768 2.561 ( 25.919 0.000 6.086) 26.623 3.117 ( 1.349 0.000 2.358) 2.716 3.253 ( -3.333 0.000 9.355) 9.931 3.800 ( 6.676 0.000 -3.643) 7.605 3.926 ( 3.504 0.000 -1.886) 3.980 4.113 ( 5.506 0.000 1.121) 5.619 4.280 ( -3.233 0.000 -10.077) 10.583 4.575 ( -3.682 0.000 1.974) 4.178 4.958 ( -1.356 0.000 -1.423) 1.965 5.320 ( 0.509 0.000 -7.828) 7.844 5.629 ( -0.558 0.000 -2.184) 2.254 5.790 ( 0.312 0.000 4.560) 4.570 6.011 ( -2.894 0.000 2.817) 4.038 6.326 ( -2.781 0.000 -10.107) 10.482 7.943 ( 0.557 0.000 4.126) 4.163 8.210 ( 11.137 0.000 -2.131) 11.339 8.430 ( -6.510 0.000 3.771) 7.524 8.724 ( -1.493 0.000 5.498) 5.697 8.817 ( 0.268 0.000 -1.694) 1.715 8.908 ( -4.472 0.000 0.743) 4.533 18.889 ( -2.139 0.000 4.967) 5.408 19.588 ( -1.783 0.000 -5.708) 5.980 19.843 ( -10.109 0.000 1.170) 10.177 20.015 ( -2.885 0.000 -1.827) 3.415 21.642 ( 28.080 0.000 1.518) 28.121 21.762 ( 26.350 0.000 -0.548) 26.356 23.177 ( 12.577 0.000 -1.007) 12.617 23.481 ( 9.551 0.000 -12.472) 15.709 24.063 ( -4.454 0.000 16.363) 16.959 25.366 ( -0.366 0.000 -8.371) 8.379 26.241 ( 7.790 0.000 7.287) 10.667 26.661 ( 13.337 0.000 -1.559) 13.428 47.924 ( 1.235 0.000 3.630) 3.834 48.469 ( 0.231 0.000 -5.827) 5.832 49.038 ( -14.912 0.000 3.787) 15.385 49.305 ( -19.499 0.000 -1.332) 19.545 97.588 ( 1.416 0.000 2.172) 2.593 97.765 ( 2.228 0.000 0.145) 2.232 97.997 ( 3.884 0.000 -0.818) 3.969 98.568 ( -0.097 0.000 -20.479) 20.479 99.149 ( -7.204 0.000 4.602) 8.548 99.509 ( -11.414 0.000 6.953) 13.365 102.376 ( 9.114 0.000 15.547) 18.021 103.738 ( 4.685 0.000 -7.872) 9.161======================= Grid point 147 (47/168) =======================q-point: ( 0.33 0.00 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 216Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.671 ( 14.351 0.000 12.122) 18.786 1.985 ( 19.432 0.000 4.466) 19.938 2.519 ( 8.442 0.000 -1.249) 8.534 2.681 ( 6.294 0.000 -4.963) 8.016 2.849 ( 1.191 0.000 9.223) 9.300 3.162 ( 2.560 0.000 3.433) 4.282 3.288 ( 6.560 0.000 4.955) 8.221 3.817 ( -4.862 0.000 -1.480) 5.083 3.937 ( 1.813 0.000 -0.353) 1.847 4.274 ( 2.198 0.000 -9.056) 9.319 4.292 ( 8.787 0.000 -1.613) 8.934 4.524 ( -1.340 0.000 1.587) 2.077 4.964 ( 2.127 0.000 -0.635) 2.220 5.328 ( 0.437 0.000 -5.976) 5.992 5.577 ( -4.344 0.000 -0.770) 4.411 5.800 ( 0.752 0.000 3.348) 3.431 5.992 ( 0.515 0.000 0.272) 0.582 6.264 ( -3.435 0.000 -11.600) 12.098 7.939 ( -0.842 0.000 7.452) 7.500 8.302 ( -5.708 0.000 4.417) 7.217 8.368 ( 4.462 0.000 -3.579) 5.721 8.715 ( 0.262 0.000 3.834) 3.843 8.809 ( -0.031 0.000 -2.810) 2.810 8.884 ( 1.029 0.000 1.631) 1.928 18.852 ( -1.414 0.000 5.188) 5.377 19.558 ( -1.189 0.000 -5.657) 5.780 19.667 ( -7.240 0.000 1.686) 7.434 19.968 ( -1.850 0.000 -3.539) 3.993 22.200 ( 26.235 0.000 0.602) 26.242 22.277 ( 23.718 0.000 -0.492) 23.723 23.393 ( 8.519 0.000 -0.624) 8.542 23.623 ( 4.685 0.000 -7.121) 8.524 23.993 ( -2.875 0.000 14.315) 14.601 25.377 ( 1.116 0.000 -9.363) 9.430 26.388 ( 6.513 0.000 7.051) 9.599 26.895 ( 9.708 0.000 -2.278) 9.972 47.966 ( 3.160 0.000 3.369) 4.619 48.471 ( -0.194 0.000 -6.001) 6.004 48.752 ( -12.762 0.000 3.301) 13.182 48.908 ( -19.201 0.000 -0.587) 19.210 97.588 ( -0.903 0.000 2.383) 2.548 97.820 ( 3.171 0.000 -0.757) 3.260 98.084 ( 4.111 0.000 0.095) 4.112 98.488 ( -6.663 0.000 -9.596) 11.682 99.023 ( -5.060 0.000 3.140) 5.955 99.361 ( -4.052 0.000 -0.460) 4.078 102.546 ( 7.450 0.000 13.307) 15.251 103.831 ( 4.313 0.000 -8.034) 9.118======================= Grid point 148 (48/168) =======================q-point: ( 0.42 0.00 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 216Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.931 ( 10.690 0.000 8.439) 13.620 2.313 ( 11.915 0.000 1.822) 12.053 2.676 ( 5.681 0.000 1.691) 5.927 2.772 ( -4.650 0.000 10.464) 11.451 2.795 ( 7.021 0.000 -1.633) 7.208 3.160 ( -4.191 0.000 1.886) 4.596 3.353 ( -0.797 0.000 2.151) 2.294 3.685 ( -6.033 0.000 -1.211) 6.154 4.043 ( 6.975 0.000 -1.325) 7.100 4.322 ( 1.956 0.000 -4.111) 4.552 4.425 ( 4.301 0.000 -2.406) 4.929 4.512 ( -0.107 0.000 -1.885) 1.888 5.032 ( 3.865 0.000 0.234) 3.872 5.337 ( 0.320 0.000 -3.789) 3.803 5.478 ( -4.721 0.000 -0.176) 4.725 5.822 ( 1.401 0.000 1.592) 2.121 6.010 ( 0.937 0.000 -0.906) 1.303 6.192 ( -3.357 0.000 -12.095) 12.552 7.917 ( -1.125 0.000 8.809) 8.881 8.215 ( -2.828 0.000 5.923) 6.564 8.410 ( 0.521 0.000 -4.022) 4.055 8.724 ( 0.442 0.000 2.703) 2.739 8.838 ( 2.443 0.000 -1.977) 3.143 8.902 ( 0.305 0.000 -0.060) 0.311 18.832 ( -0.631 0.000 5.316) 5.354 19.540 ( -0.537 0.000 -5.668) 5.693 19.555 ( -3.741 0.000 2.112) 4.296 19.939 ( -0.967 0.000 -4.382) 4.487 22.652 ( 17.445 0.000 -0.350) 17.449 22.676 ( 14.809 0.000 -0.309) 14.812 23.513 ( 3.414 0.000 -0.627) 3.471 23.672 ( 0.381 0.000 -4.677) 4.693 23.945 ( -1.762 0.000 14.353) 14.460 25.400 ( 0.990 0.000 -9.936) 9.986 26.492 ( 3.686 0.000 6.758) 7.698 27.045 ( 5.084 0.000 -2.816) 5.812 48.057 ( 5.846 0.000 2.961) 6.553 48.446 ( -2.685 0.000 -3.627) 4.513 48.556 ( -15.219 0.000 0.199) 15.220 48.563 ( -4.929 0.000 0.516) 4.956 97.567 ( -0.991 0.000 2.621) 2.802 97.889 ( 3.364 0.000 -2.098) 3.964 98.148 ( 2.142 0.000 0.344) 2.170 98.346 ( -6.462 0.000 -3.589) 7.391 98.950 ( -2.279 0.000 2.357) 3.278 99.315 ( -1.060 0.000 -3.715) 3.863 102.664 ( 4.111 0.000 12.185) 12.860 103.902 ( 2.567 0.000 -8.093) 8.491======================= Grid point 149 (49/168) =======================q-point: (-0.50 0.00 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 126Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.052 ( 0.000 0.000 6.481) 6.481 2.431 ( 0.000 0.000 0.229) 0.229 2.675 ( 0.000 0.000 12.748) 12.748 2.778 ( 0.000 0.000 1.427) 1.427 2.986 ( 0.000 0.000 3.515) 3.515 2.996 ( -0.000 0.000 -1.710) 1.710 3.328 ( 0.000 0.000 1.490) 1.490 3.623 ( 0.000 0.000 -1.513) 1.513 4.127 ( 0.000 0.000 -2.077) 2.077 4.343 ( 0.000 0.000 -0.737) 0.737 4.467 ( 0.000 0.000 -2.633) 2.633 4.512 ( 0.000 0.000 -4.537) 4.537 5.080 ( 0.000 0.000 0.541) 0.541 5.340 ( -0.000 0.000 -2.515) 2.515 5.422 ( 0.000 0.000 -0.012) 0.012 5.841 ( 0.000 0.000 0.624) 0.624 6.020 ( 0.000 0.000 -1.227) 1.227 6.152 ( 0.000 0.000 -12.230) 12.230 7.904 ( 0.000 0.000 9.051) 9.051 8.187 ( 0.000 0.000 6.732) 6.732 8.412 ( 0.000 0.000 -4.069) 4.069 8.729 ( 0.000 0.000 2.316) 2.316 8.879 ( 0.000 0.000 -0.298) 0.298 8.893 ( -0.000 0.000 -2.175) 2.175 18.826 ( 0.000 0.000 5.355) 5.355 19.518 ( 0.000 0.000 2.274) 2.274 19.535 ( 0.000 0.000 -5.676) 5.676 19.929 ( 0.000 0.000 -4.640) 4.640 22.832 ( 0.000 0.000 -0.180) 0.180 22.842 ( 0.000 0.000 -0.980) 0.980 23.544 ( 0.000 0.000 -0.713) 0.713 23.666 ( 0.000 0.000 -3.565) 3.565 23.927 ( 0.000 0.000 14.396) 14.396 25.411 ( 0.000 0.000 -10.123) 10.123 26.530 ( 0.000 0.000 6.642) 6.642 27.097 ( 0.000 0.000 -3.010) 3.010 48.159 ( 0.000 0.000 2.940) 2.940 48.356 ( 0.000 0.000 0.362) 0.362 48.404 ( 0.000 0.000 -0.391) 0.391 48.527 ( 0.000 0.000 -2.862) 2.862 97.556 ( 0.000 0.000 2.731) 2.731 97.931 ( 0.000 0.000 -3.207) 3.207 98.169 ( 0.000 0.000 0.339) 0.339 98.271 ( 0.000 0.000 -1.316) 1.316 98.928 ( 0.000 0.000 2.138) 2.138 99.306 ( 0.000 0.000 -4.427) 4.427 102.706 ( 0.000 0.000 11.845) 11.845 103.929 ( 0.000 0.000 -8.107) 8.107======================= Grid point 156 (50/168) =======================q-point: ( 0.00 0.10 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 210Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.574 ( 0.000 19.194 9.542) 21.435 0.680 ( 0.000 15.011 18.293) 23.663 1.278 ( 0.000 28.342 34.780) 44.865 1.404 ( 0.000 4.618 -5.679) 7.319 2.127 ( 0.000 -7.657 -6.376) 9.964 2.830 ( 0.000 -2.466 2.699) 3.655 3.091 ( 0.000 -3.604 -1.635) 3.957 3.457 ( 0.000 -10.779 7.324) 13.032 3.594 ( 0.000 -2.632 -3.502) 4.381 4.299 ( 0.000 0.335 4.375) 4.388 4.577 ( 0.000 3.274 -13.939) 14.318 4.931 ( 0.000 0.072 0.094) 0.118 4.944 ( 0.000 -0.105 -0.114) 0.155 5.186 ( 0.000 16.790 -17.525) 24.270 5.563 ( 0.000 -2.742 -8.279) 8.721 5.904 ( 0.000 -3.144 -6.607) 7.316 6.323 ( 0.000 -0.544 2.976) 3.025 6.624 ( 0.000 1.208 2.908) 3.149 7.505 ( 0.000 0.151 0.282) 0.320 7.541 ( 0.000 -0.265 -0.281) 0.386 8.498 ( 0.000 -16.211 17.904) 24.153 8.823 ( 0.000 0.041 1.098) 1.098 8.947 ( 0.000 1.219 6.192) 6.311 9.308 ( 0.000 3.199 -5.491) 6.355 18.986 ( 0.000 -0.424 4.451) 4.471 19.637 ( 0.000 -1.284 -5.887) 6.025 20.394 ( 0.000 0.040 -0.550) 0.551 20.430 ( 0.000 0.563 -0.722) 0.916 20.448 ( 0.000 -14.739 13.294) 19.849 20.871 ( 0.000 -2.077 -2.594) 3.323 21.966 ( 0.000 0.518 6.540) 6.561 22.580 ( 0.000 0.688 -3.789) 3.851 24.256 ( 0.000 -31.009 40.948) 51.364 25.720 ( 0.000 -1.767 -9.084) 9.254 25.821 ( 0.000 0.898 0.154) 0.911 25.844 ( 0.000 1.216 -0.197) 1.232 47.920 ( 0.000 0.507 3.226) 3.265 48.463 ( 0.000 -1.102 -4.882) 5.005 49.617 ( 0.000 -0.494 5.358) 5.380 50.122 ( 0.000 5.035 -7.962) 9.420 97.379 ( 0.000 0.158 0.074) 0.174 97.388 ( 0.000 0.184 -0.074) 0.199 97.720 ( 0.000 1.426 1.548) 2.105 98.109 ( 0.000 11.393 -13.481) 17.651 99.384 ( 0.000 -7.278 9.212) 11.740 100.346 ( 0.000 -36.767 14.609) 39.563 102.039 ( 0.000 -2.759 26.283) 26.427 103.749 ( 0.000 5.282 -13.965) 14.930======================= Grid point 157 (51/168) =======================q-point: ( 0.08 0.10 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 360Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.774 ( 14.436 7.643 15.226) 22.330 0.905 ( 16.077 12.836 14.938) 25.424 1.463 ( 20.816 22.234 20.112) 36.499 1.644 ( 20.419 6.555 -1.048) 21.471 2.140 ( 1.885 -6.264 -5.890) 8.803 2.915 ( 7.222 -2.279 2.565) 7.995 3.245 ( 10.005 -4.833 -1.545) 11.218 3.448 ( 1.247 -9.756 5.628) 11.332 3.589 ( 0.311 -2.077 -4.557) 5.018 4.240 ( -4.956 0.839 3.106) 5.909 4.523 ( -4.389 4.476 -12.675) 14.141 4.832 ( -7.183 3.405 -0.031) 7.949 4.980 ( 2.078 -0.393 -0.059) 2.116 5.251 ( 3.825 7.226 -13.175) 15.506 5.554 ( -0.180 -4.063 -5.305) 6.684 5.833 ( -4.347 -1.719 -0.263) 4.682 6.234 ( -7.161 -1.277 5.917) 9.377 6.498 ( -6.084 2.892 -0.242) 6.740 7.639 ( 11.414 -0.524 0.215) 11.428 7.768 ( 13.029 -0.340 -6.739) 14.673 8.486 ( -0.919 -12.827 14.098) 19.082 8.816 ( -0.643 0.003 1.438) 1.575 8.899 ( -4.074 1.835 5.413) 7.019 9.221 ( -7.158 3.488 -3.131) 8.556 18.972 ( -1.411 -0.318 4.500) 4.727 19.634 ( -0.623 -1.582 -5.972) 6.209 20.206 ( -9.393 -3.814 5.538) 11.552 20.302 ( -10.135 0.388 -0.388) 10.150 20.680 ( 15.130 -4.162 5.161) 16.519 20.924 ( 12.431 3.785 -0.287) 12.997 22.549 ( 35.103 -13.482 -16.165) 40.931 22.675 ( 9.340 -0.024 -3.603) 10.011 24.175 ( -6.127 -20.666 34.227) 40.449 25.526 ( -9.212 -0.758 -6.185) 11.121 25.906 ( 6.987 -0.921 2.534) 7.489 26.089 ( 14.596 0.627 -2.242) 14.780 47.916 ( -0.305 0.438 3.492) 3.533 48.459 ( -0.229 -0.759 -4.989) 5.052 49.536 ( -7.653 -0.067 5.032) 9.160 49.990 ( -11.470 4.514 -4.566) 13.145 97.430 ( 3.833 0.005 0.427) 3.857 97.686 ( 11.715 -6.896 -5.549) 14.683 97.746 ( 7.327 -1.997 -0.981) 7.657 98.189 ( 9.317 8.398 -21.136) 24.578 99.347 ( -3.515 -6.367 8.134) 10.911 100.117 ( -18.567 -22.518 15.994) 33.281 102.075 ( 4.106 -0.269 23.280) 23.641 103.691 ( -2.960 5.106 -9.751) 11.398======================= Grid point 158 (52/168) =======================q-point: ( 0.17 0.10 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 360Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.111 ( 17.432 2.783 15.514) 23.502 1.184 ( 13.905 7.576 15.470) 22.137 2.017 ( 27.837 7.962 2.177) 29.035 2.112 ( 23.821 8.734 4.344) 25.741 2.226 ( 8.606 -2.250 -5.396) 10.404 3.048 ( 4.311 -2.509 1.857) 5.322 3.291 ( -2.854 -4.622 8.963) 10.481 3.611 ( 10.101 -3.642 -5.426) 12.031 3.673 ( 10.290 -4.554 -2.642) 11.558 4.131 ( -5.357 -0.111 1.716) 5.627 4.424 ( -5.074 4.579 -10.747) 12.736 4.698 ( -5.837 2.706 0.633) 6.465 4.982 ( -1.757 -0.807 -0.165) 1.941 5.300 ( 1.142 0.513 -9.439) 9.522 5.577 ( 2.314 -3.588 -1.563) 4.546 5.784 ( -0.643 -0.296 1.632) 1.779 6.091 ( -6.449 -1.694 4.805) 8.219 6.408 ( -3.574 2.270 -6.633) 7.869 7.881 ( 8.885 -1.608 -1.307) 9.123 7.967 ( 9.859 1.960 -0.165) 10.054 8.464 ( -1.593 -7.237 7.150) 10.298 8.785 ( -3.219 0.160 5.134) 6.062 8.828 ( -1.445 1.407 0.888) 2.204 9.059 ( -8.392 1.985 -1.502) 8.753 18.934 ( -2.198 -0.122 4.705) 5.194 19.608 ( -1.758 -1.639 -5.426) 5.935 20.050 ( -8.395 -1.728 0.942) 8.623 20.094 ( -7.850 0.350 0.135) 7.859 21.079 ( 23.913 -2.357 3.044) 24.221 21.301 ( 23.129 3.741 -0.923) 23.447 22.895 ( 12.868 -1.359 -2.128) 13.114 23.108 ( 19.982 -10.951 -18.172) 29.145 24.068 ( -4.046 -9.790 24.604) 26.788 25.395 ( -3.978 -1.111 -7.095) 8.210 26.065 ( 8.353 -1.149 5.420) 10.023 26.384 ( 14.527 0.663 -1.672) 14.638 47.913 ( 0.091 0.206 3.622) 3.629 48.457 ( 0.075 -0.708 -5.394) 5.440 49.324 ( -12.934 0.022 4.400) 13.661 49.699 ( -17.064 2.644 -2.484) 17.446 97.520 ( 4.455 -0.319 1.409) 4.683 97.735 ( 1.183 0.271 0.496) 1.311 97.912 ( 4.567 -2.821 -2.267) 5.827 98.423 ( 9.845 -2.467 -25.725) 27.655 99.251 ( -5.751 -4.142 5.538) 8.994 99.742 ( -16.815 -8.877 12.371) 22.684 102.203 ( 8.091 0.746 18.643) 20.337 103.680 ( 1.701 2.099 -7.948) 8.395======================= Grid point 159 (53/168) =======================q-point: ( 0.25 0.10 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 360Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.405 ( 13.293 3.347 17.204) 21.997 1.545 ( 20.164 -1.132 7.363) 21.496 2.317 ( 8.704 -3.338 -1.863) 9.507 2.504 ( 15.907 3.830 -6.117) 17.468 2.651 ( 21.614 7.849 6.292) 23.840 3.084 ( 0.403 -3.524 3.279) 4.830 3.238 ( -0.433 -1.357 7.211) 7.351 3.788 ( 6.193 -1.722 -2.836) 7.025 3.894 ( 6.811 -3.157 -2.593) 7.942 4.063 ( 1.359 -3.391 1.328) 3.887 4.339 ( -2.592 4.496 -9.633) 10.942 4.603 ( -3.341 2.504 0.646) 4.225 4.938 ( -1.661 -1.549 0.120) 2.274 5.308 ( -0.076 -1.581 -7.038) 7.214 5.618 ( 0.816 -1.013 -1.027) 1.657 5.785 ( 0.250 -0.162 2.624) 2.641 5.993 ( -2.785 -1.706 2.041) 3.851 6.340 ( -3.344 1.166 -9.596) 10.229 7.955 ( 0.867 1.146 3.985) 4.236 8.197 ( 10.271 -1.171 -0.068) 10.338 8.407 ( -3.982 -2.177 2.908) 5.390 8.731 ( -1.373 0.660 4.515) 4.765 8.823 ( 0.049 0.327 -1.008) 1.061 8.908 ( -5.596 0.056 0.209) 5.600 18.889 ( -2.073 0.049 4.978) 5.393 19.571 ( -1.801 -1.602 -4.936) 5.493 19.851 ( -9.573 0.622 0.359) 9.600 20.000 ( -3.158 -1.334 -1.979) 3.959 21.610 ( 27.779 -2.296 2.082) 27.952 21.811 ( 26.604 3.935 -1.267) 26.923 23.154 ( 12.181 -2.252 -1.149) 12.440 23.413 ( 11.125 -6.979 -12.261) 17.967 24.010 ( -1.947 -4.275 18.451) 19.040 25.354 ( -0.421 -1.273 -8.289) 8.397 26.233 ( 8.164 -0.511 6.493) 10.444 26.662 ( 12.820 -0.085 -1.901) 12.960 47.924 ( 1.145 0.005 3.548) 3.729 48.460 ( 0.154 -0.858 -5.776) 5.841 49.036 ( -15.053 -0.201 3.893) 15.549 49.320 ( -20.019 1.415 -1.551) 20.128 97.583 ( 1.466 -0.403 1.991) 2.505 97.765 ( 1.928 -0.133 0.030) 1.933 97.996 ( 4.338 -0.132 -0.690) 4.394 98.521 ( 0.022 -4.514 -16.710) 17.310 99.128 ( -6.180 -1.914 3.212) 7.224 99.473 ( -9.602 -3.413 5.434) 11.549 102.380 ( 9.023 0.532 15.290) 17.762 103.743 ( 4.098 0.391 -7.889) 8.898======================= Grid point 160 (54/168) =======================q-point: ( 0.33 0.10 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 360Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.673 ( 13.074 0.355 12.477) 18.076 1.947 ( 19.138 -3.432 5.608) 20.236 2.500 ( 9.460 -1.731 -0.527) 9.632 2.709 ( 5.155 2.748 -6.163) 8.492 2.845 ( -1.726 -0.967 10.208) 10.398 3.127 ( 4.073 -2.644 3.115) 5.769 3.322 ( 5.572 2.395 2.294) 6.484 3.794 ( -4.598 -2.374 -0.981) 5.266 3.931 ( 1.938 -0.442 -0.252) 2.003 4.203 ( 7.803 -4.180 -2.291) 9.144 4.340 ( 2.471 2.558 -6.912) 7.774 4.565 ( -0.775 3.295 -0.557) 3.431 4.944 ( 2.480 -1.560 0.590) 2.989 5.307 ( 0.121 -2.079 -5.225) 5.625 5.585 ( -3.892 0.811 -1.048) 4.111 5.797 ( 1.142 -0.375 3.292) 3.505 5.980 ( 1.006 -0.888 -0.444) 1.413 6.269 ( -3.710 0.392 -10.839) 11.463 7.952 ( -0.868 1.314 7.617) 7.778 8.276 ( -3.417 -2.105 4.183) 5.797 8.389 ( 3.632 1.628 -2.866) 4.904 8.714 ( -0.798 0.017 2.834) 2.944 8.809 ( 0.005 -0.086 -2.630) 2.632 8.874 ( 0.980 -0.935 1.656) 2.139 18.854 ( -1.389 0.145 5.218) 5.402 19.540 ( -1.236 -1.524 -4.228) 4.661 19.684 ( -6.856 1.453 0.141) 7.010 19.948 ( -2.077 -1.898 -3.431) 4.437 22.156 ( 25.400 -2.787 1.481) 25.595 22.334 ( 24.337 4.145 -1.541) 24.735 23.364 ( 8.285 -2.875 -0.687) 8.797 23.577 ( 5.385 -4.715 -7.477) 10.350 23.978 ( -1.387 -1.064 15.482) 15.581 25.364 ( 1.106 -1.320 -9.191) 9.351 26.384 ( 6.580 -0.271 6.615) 9.334 26.889 ( 9.431 -0.693 -2.427) 9.763 47.965 ( 3.130 -0.106 3.291) 4.543 48.461 ( -0.226 -0.991 -5.933) 6.019 48.746 ( -12.953 -0.511 3.399) 13.402 48.916 ( -19.457 0.739 -0.709) 19.484 97.585 ( -0.859 -0.299 2.243) 2.420 97.813 ( 2.814 -0.717 -0.840) 3.023 98.083 ( 3.991 -0.001 0.185) 3.996 98.453 ( -5.744 -3.363 -8.026) 10.427 99.014 ( -4.770 -0.885 2.464) 5.441 99.349 ( -3.391 -1.237 -1.088) 3.770 102.549 ( 7.389 0.306 13.235) 15.161 103.830 ( 4.184 -0.142 -7.989) 9.019======================= Grid point 161 (55/168) =======================q-point: ( 0.42 0.10 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 360Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.913 ( 10.039 -1.633 8.795) 13.446 2.283 ( 12.933 -3.063 3.516) 13.748 2.671 ( 4.204 -1.258 3.746) 5.770 2.749 ( -1.003 -1.511 5.762) 6.041 2.795 ( 3.736 0.005 0.743) 3.810 3.154 ( -3.549 -0.611 0.974) 3.730 3.328 ( -3.470 -2.706 0.531) 4.432 3.683 ( -4.807 -0.098 -0.335) 4.820 4.031 ( 6.213 -1.127 -1.197) 6.427 4.297 ( 1.967 -2.338 -1.763) 3.527 4.426 ( 5.166 0.767 -4.505) 6.897 4.552 ( -0.966 2.891 -3.049) 4.311 5.019 ( 4.034 -0.992 0.761) 4.223 5.313 ( 0.409 -2.158 -3.345) 4.001 5.491 ( -4.624 1.147 -0.374) 4.779 5.827 ( 1.659 0.425 1.941) 2.588 6.010 ( 1.619 0.112 -1.330) 2.099 6.193 ( -3.576 0.051 -11.249) 11.804 7.930 ( -1.083 1.340 8.961) 9.125 8.206 ( -2.586 -0.815 5.528) 6.157 8.436 ( 0.868 2.427 -3.911) 4.684 8.707 ( 0.170 -1.406 2.457) 2.836 8.838 ( 2.228 -0.248 -2.105) 3.075 8.893 ( 0.332 -0.934 0.098) 0.996 18.834 ( -0.632 0.168 5.365) 5.405 19.522 ( -0.571 -1.084 -2.024) 2.366 19.579 ( -3.536 1.549 -1.703) 4.219 19.916 ( -1.104 -2.298 -4.150) 4.870 22.586 ( 16.070 -3.418 1.111) 16.467 22.752 ( 16.004 4.354 -2.027) 16.710 23.480 ( 3.293 -3.226 -0.595) 4.648 23.635 ( 0.655 -3.695 -4.648) 5.973 23.953 ( -0.995 0.946 14.587) 14.651 25.387 ( 0.992 -1.327 -9.726) 9.866 26.489 ( 3.668 -0.286 6.494) 7.464 27.035 ( 4.963 -1.037 -2.863) 5.822 48.056 ( 5.895 -0.089 2.876) 6.559 48.438 ( -2.514 -0.861 -3.701) 4.557 48.544 ( -9.574 -0.927 0.805) 9.652 48.569 ( -11.049 0.266 0.057) 11.052 97.564 ( -0.979 -0.248 2.481) 2.679 97.873 ( 2.840 -1.595 -2.090) 3.870 98.145 ( 2.034 -0.264 0.419) 2.093 98.330 ( -5.548 -1.508 -3.052) 6.509 98.944 ( -2.206 -0.585 2.125) 3.118 99.311 ( -0.859 -0.471 -3.962) 4.081 102.667 ( 4.096 0.222 12.162) 12.835 103.900 ( 2.557 -0.239 -8.040) 8.440======================= Grid point 162 (56/168) =======================q-point: (-0.50 0.10 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 210Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.028 ( 0.000 -2.362 6.850) 7.246 2.417 ( -0.000 -1.488 1.838) 2.365 2.641 ( 0.000 -3.274 12.698) 13.113 2.795 ( 0.000 1.616 -0.441) 1.675 2.951 ( 0.000 -4.158 5.128) 6.602 2.995 ( -0.000 0.007 -1.644) 1.644 3.286 ( 0.000 -3.358 -0.978) 3.497 3.633 ( 0.000 0.773 -0.456) 0.898 4.103 ( 0.000 -2.124 -1.739) 2.745 4.313 ( 0.000 -2.325 -0.343) 2.351 4.506 ( 0.000 3.117 -3.541) 4.717 4.520 ( 0.000 0.599 -5.214) 5.248 5.067 ( 0.000 -1.053 0.750) 1.293 5.320 ( 0.000 -1.914 -2.609) 3.236 5.434 ( 0.000 1.281 0.213) 1.298 5.848 ( 0.000 0.628 1.124) 1.287 6.032 ( 0.000 1.028 -1.071) 1.485 6.149 ( 0.000 -0.335 -11.792) 11.797 7.918 ( 0.000 1.404 9.188) 9.295 8.180 ( 0.000 -0.636 6.194) 6.226 8.441 ( 0.000 2.764 -4.068) 4.918 8.711 ( 0.000 -1.567 2.390) 2.858 8.877 ( 0.000 -1.557 -2.052) 2.576 8.882 ( -0.000 0.138 -0.509) 0.528 18.828 ( 0.000 0.165 5.412) 5.415 19.516 ( 0.000 -0.127 2.134) 2.138 19.543 ( 0.000 0.772 -5.728) 5.780 19.905 ( 0.000 -2.446 -4.370) 5.008 22.757 ( 0.000 -3.647 1.015) 3.785 22.925 ( 0.000 4.414 -2.513) 5.079 23.510 ( 0.000 -3.360 -0.634) 3.419 23.632 ( 0.000 -3.343 -3.330) 4.718 23.943 ( 0.000 1.588 14.313) 14.401 25.398 ( 0.000 -1.325 -9.903) 9.991 26.527 ( 0.000 -0.319 6.428) 6.436 27.085 ( 0.000 -1.146 -3.025) 3.235 48.160 ( 0.000 0.084 2.843) 2.845 48.354 ( 0.000 -0.232 0.330) 0.403 48.397 ( 0.000 -0.638 -0.358) 0.731 48.516 ( 0.000 -1.076 -2.775) 2.976 97.553 ( 0.000 -0.236 2.586) 2.597 97.908 ( 0.000 -2.299 -3.026) 3.800 98.165 ( 0.000 -0.372 0.421) 0.562 98.267 ( 0.000 -0.427 -1.162) 1.237 98.922 ( 0.000 -0.518 2.004) 2.070 99.303 ( 0.000 -0.292 -4.589) 4.599 102.709 ( 0.000 0.207 11.832) 11.834 103.926 ( 0.000 -0.241 -8.054) 8.057======================= Grid point 169 (57/168) =======================q-point: ( 0.00 0.20 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 210Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.975 ( 0.000 20.846 4.790) 21.389 1.076 ( 0.000 23.134 5.839) 23.860 1.528 ( 0.000 7.769 -4.344) 8.901 1.836 ( 0.000 15.663 6.852) 17.096 2.030 ( 0.000 10.186 10.535) 14.654 2.760 ( 0.000 -4.573 2.301) 5.120 2.988 ( 0.000 -6.804 -1.462) 6.960 3.239 ( 0.000 -11.956 9.506) 15.275 3.495 ( 0.000 -8.217 0.531) 8.234 4.327 ( 0.000 2.252 -2.761) 3.563 4.633 ( 0.000 2.620 -8.366) 8.767 4.933 ( 0.000 0.044 0.074) 0.086 4.942 ( 0.000 -0.140 -0.072) 0.158 5.315 ( 0.000 -0.545 -3.189) 3.235 5.510 ( 0.000 -4.437 -15.344) 15.973 5.841 ( 0.000 -2.290 -4.681) 5.211 6.270 ( 0.000 -4.111 -2.715) 4.927 6.643 ( 0.000 0.509 -2.724) 2.771 7.509 ( 0.000 0.240 0.193) 0.308 7.534 ( 0.000 -0.427 -0.197) 0.471 8.314 ( 0.000 -4.172 19.067) 19.518 8.829 ( 0.000 0.601 2.448) 2.521 8.994 ( 0.000 2.987 4.058) 5.039 9.337 ( 0.000 0.550 -3.730) 3.771 18.975 ( 0.000 -0.672 4.469) 4.519 19.603 ( 0.000 -2.010 -5.243) 5.615 20.230 ( 0.000 -8.182 10.188) 13.067 20.397 ( 0.000 0.224 -0.776) 0.808 20.443 ( 0.000 0.784 -1.452) 1.650 20.828 ( 0.000 -2.268 -4.504) 5.043 21.979 ( 0.000 0.795 6.794) 6.840 22.598 ( 0.000 1.029 -3.704) 3.844 23.917 ( 0.000 -8.480 29.219) 30.425 25.637 ( 0.000 -5.686 -9.028) 10.670 25.846 ( 0.000 1.615 0.176) 1.625 25.874 ( 0.000 1.822 -0.260) 1.841 47.926 ( 0.000 0.170 3.285) 3.290 48.445 ( 0.000 -0.783 -5.058) 5.118 49.616 ( 0.000 0.274 5.266) 5.274 50.174 ( 0.000 1.003 -5.952) 6.036 97.383 ( 0.000 0.256 0.079) 0.268 97.393 ( 0.000 0.298 -0.080) 0.308 97.761 ( 0.000 2.667 2.079) 3.382 98.271 ( 0.000 5.159 -11.924) 12.992 99.248 ( 0.000 -5.670 4.240) 7.080 99.827 ( 0.000 -19.173 10.377) 21.801 102.073 ( 0.000 4.104 19.701) 20.124 103.772 ( 0.000 -1.236 -10.396) 10.469======================= Grid point 170 (58/168) =======================q-point: ( 0.08 0.20 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 360Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.042 ( 6.551 18.049 5.956) 20.103 1.218 ( 10.489 18.183 10.221) 23.348 1.721 ( 17.171 7.601 -3.420) 19.087 1.952 ( 10.089 2.778 -2.423) 10.741 2.097 ( 8.852 19.836 13.826) 25.748 2.848 ( 7.247 -4.496 1.971) 8.753 3.117 ( 9.056 -8.116 0.389) 12.167 3.243 ( 2.903 -11.174 7.343) 13.682 3.496 ( 0.735 -7.813 -0.275) 7.852 4.271 ( -5.157 2.221 -2.818) 6.282 4.595 ( -3.437 3.026 -8.506) 9.660 4.871 ( -5.433 1.063 -0.964) 5.619 4.972 ( 1.883 -0.453 0.236) 1.951 5.339 ( 0.059 0.921 -5.631) 5.706 5.449 ( -2.783 -6.806 -7.020) 10.165 5.811 ( -1.712 -0.097 -3.200) 3.631 6.184 ( -6.901 -3.317 0.528) 7.676 6.556 ( -5.585 2.427 -4.481) 7.560 7.628 ( 9.782 -0.491 -0.041) 9.795 7.742 ( 15.402 -2.261 -4.639) 16.244 8.310 ( -0.122 -4.989 17.550) 18.246 8.820 ( -0.872 0.455 2.651) 2.828 8.948 ( -4.134 2.817 3.589) 6.157 9.262 ( -6.871 1.077 -3.082) 7.607 18.963 ( -1.196 -0.547 4.523) 4.710 19.595 ( -0.867 -2.212 -4.998) 5.534 20.122 ( -6.570 -4.558 4.425) 9.140 20.304 ( -9.734 0.007 -2.227) 9.986 20.621 ( 16.447 -2.025 3.194) 16.876 20.980 ( 14.665 1.932 -2.595) 15.017 22.316 ( 26.733 -8.874 -1.801) 28.225 22.677 ( 7.512 0.153 -3.298) 8.205 23.914 ( -0.085 -7.343 27.205) 28.179 25.487 ( -8.483 -2.970 -7.021) 11.405 25.914 ( 5.603 1.348 1.242) 5.896 26.080 ( 14.617 -0.938 -2.190) 14.810 47.922 ( -0.361 0.190 3.361) 3.386 48.443 ( -0.177 -0.808 -5.144) 5.210 49.538 ( -7.554 0.253 5.062) 9.097 50.052 ( -11.400 1.796 -4.730) 12.472 97.430 ( 3.510 0.075 0.306) 3.524 97.557 ( 12.880 -4.630 -2.776) 13.966 97.774 ( 1.776 2.625 2.009) 3.753 98.296 ( 2.612 3.035 -12.722) 13.337 99.228 ( -1.981 -5.027 3.301) 6.332 99.742 ( -7.829 -15.838 9.505) 20.062 102.116 ( 4.155 3.582 18.892) 19.672 103.736 ( -2.588 0.055 -9.275) 9.629======================= Grid point 171 (59/168) =======================q-point: ( 0.17 0.20 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 360Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.232 ( 11.846 9.935 8.714) 17.747 1.399 ( 7.682 13.610 14.519) 21.332 2.055 ( 11.119 -1.891 -1.507) 11.379 2.211 ( 19.209 3.140 -6.085) 20.393 2.448 ( 22.182 20.158 8.080) 31.043 2.970 ( 3.116 -5.626 1.716) 6.656 3.162 ( -0.469 -8.429 8.676) 12.106 3.485 ( 15.313 -8.652 -1.869) 17.687 3.572 ( 8.230 -5.918 -0.987) 10.185 4.143 ( -6.937 1.292 -2.059) 7.351 4.508 ( -4.851 3.541 -8.714) 10.584 4.748 ( -5.983 2.228 -1.764) 6.624 4.973 ( -2.038 -0.162 1.608) 2.601 5.277 ( -2.843 -3.717 -6.308) 7.855 5.500 ( 5.138 -3.188 0.783) 6.097 5.797 ( 0.216 1.576 -2.717) 3.148 6.044 ( -6.445 -2.874 1.824) 7.288 6.454 ( -4.692 2.077 -7.724) 9.273 7.853 ( 10.697 -1.211 -0.869) 10.800 7.997 ( 9.470 0.801 -0.873) 9.544 8.323 ( 1.571 -6.299 10.706) 12.521 8.790 ( -2.348 0.326 3.815) 4.491 8.860 ( -3.497 1.744 1.556) 4.206 9.091 ( -9.390 1.195 -2.089) 9.694 18.930 ( -1.929 -0.236 4.730) 5.113 19.568 ( -1.701 -2.271 -4.373) 5.213 19.998 ( -6.282 -3.421 0.947) 7.216 20.105 ( -8.792 0.753 -2.229) 9.102 21.038 ( 24.350 -1.753 3.226) 24.625 21.375 ( 23.541 3.545 -2.174) 23.906 22.826 ( 19.486 -9.918 -6.465) 22.800 22.889 ( 14.897 -5.160 -4.697) 16.451 23.919 ( 0.680 -4.936 23.038) 23.570 25.361 ( -3.989 -2.263 -7.327) 8.644 26.059 ( 8.235 0.491 3.441) 8.939 26.378 ( 14.433 -1.138 -2.340) 14.665 47.916 ( -0.099 0.106 3.429) 3.432 48.440 ( -0.124 -1.003 -5.385) 5.479 49.325 ( -13.153 0.064 4.614) 13.939 49.748 ( -18.009 2.084 -3.066) 18.387 97.514 ( 4.153 -0.294 1.045) 4.292 97.718 ( 2.772 -2.473 -1.092) 3.871 97.874 ( 7.163 -0.185 -0.285) 7.171 98.370 ( 3.908 -2.771 -13.000) 13.854 99.171 ( -3.551 -3.471 1.188) 5.106 99.554 ( -9.691 -9.664 6.913) 15.333 102.234 ( 7.353 2.339 16.893) 18.572 103.708 ( 0.322 0.597 -8.128) 8.156======================= Grid point 172 (60/168) =======================q-point: ( 0.25 0.20 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 360Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.486 ( 11.806 4.193 14.460) 19.132 1.577 ( 11.740 5.791 8.977) 15.873 2.254 ( 10.075 -2.694 -0.768) 10.457 2.593 ( 15.529 4.870 -6.789) 17.634 2.807 ( 8.656 6.143 8.095) 13.349 2.986 ( 0.920 -5.953 3.458) 6.946 3.205 ( 6.661 -1.945 1.955) 7.210 3.699 ( 6.131 -7.237 -0.371) 9.492 3.831 ( 12.889 -2.752 -2.500) 13.415 4.022 ( -3.351 -0.685 1.066) 3.583 4.419 ( -3.457 3.274 -8.547) 9.784 4.654 ( -3.035 2.386 -2.904) 4.831 4.921 ( -1.905 0.136 3.165) 3.697 5.251 ( -0.312 -4.093 -4.659) 6.209 5.598 ( 3.748 -0.810 0.186) 3.839 5.793 ( -1.375 0.936 -0.346) 1.699 5.953 ( -1.671 -2.175 0.665) 2.823 6.362 ( -4.439 0.951 -9.362) 10.405 7.983 ( 2.099 1.525 3.498) 4.355 8.171 ( 7.728 -1.337 3.801) 8.715 8.356 ( 1.332 -2.829 1.608) 3.516 8.743 ( -1.331 0.386 2.908) 3.222 8.824 ( -0.714 -0.230 -0.140) 0.764 8.913 ( -7.438 0.428 -0.692) 7.482 18.891 ( -1.874 0.077 5.025) 5.364 19.533 ( -1.610 -2.043 -3.709) 4.530 19.853 ( -7.677 -0.867 -0.527) 7.744 19.974 ( -4.599 -0.952 -2.737) 5.436 21.571 ( 27.625 -1.606 2.785) 27.812 21.890 ( 26.695 3.833 -2.407) 27.076 23.095 ( 11.268 -3.621 -1.542) 11.935 23.230 ( 14.458 -10.575 -8.836) 19.974 23.941 ( 1.370 -2.344 19.073) 19.265 25.319 ( -0.479 -2.192 -8.077) 8.383 26.229 ( 8.259 0.096 4.945) 9.627 26.650 ( 12.344 -1.228 -2.436) 12.641 47.923 ( 0.976 -0.069 3.356) 3.495 48.438 ( -0.085 -1.314 -5.668) 5.819 49.031 ( -15.404 -0.305 4.144) 15.955 49.351 ( -20.837 1.542 -1.919) 20.982 97.575 ( 1.538 -0.416 1.568) 2.235 97.753 ( 1.548 -1.270 -0.434) 2.049 97.997 ( 5.124 0.416 -0.126) 5.143 98.415 ( -0.012 -5.736 -9.285) 10.914 99.086 ( -4.806 -2.164 0.422) 5.287 99.391 ( -5.870 -4.609 2.146) 7.765 102.397 ( 8.428 1.190 14.706) 16.991 103.748 ( 3.312 0.066 -7.860) 8.529======================= Grid point 173 (61/168) =======================q-point: ( 0.33 0.20 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 360Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.692 ( 9.669 1.709 13.459) 16.660 1.878 ( 16.556 -2.800 6.689) 18.074 2.465 ( 10.487 -1.673 0.325) 10.624 2.763 ( -0.526 -0.146 -0.464) 0.717 2.806 ( -1.502 -0.495 5.362) 5.591 3.078 ( 6.265 -2.425 0.701) 6.754 3.330 ( 0.726 -3.142 -1.671) 3.632 3.743 ( -0.847 -1.681 1.263) 2.266 3.925 ( 1.861 -0.110 -0.785) 2.022 4.131 ( 8.861 -3.168 0.408) 9.419 4.387 ( 0.682 2.137 -7.254) 7.593 4.621 ( -0.831 2.116 -4.800) 5.311 4.929 ( 2.856 0.578 3.351) 4.441 5.253 ( 0.416 -3.226 -3.648) 4.888 5.606 ( -3.303 1.274 -1.393) 3.805 5.784 ( 1.757 -0.930 3.158) 3.731 5.968 ( 2.130 -0.293 -1.225) 2.475 6.275 ( -4.242 0.091 -9.830) 10.707 7.987 ( -0.851 2.144 8.078) 8.401 8.232 ( -1.467 -2.273 4.386) 5.153 8.419 ( 4.807 1.311 -2.157) 5.429 8.717 ( -2.384 0.195 0.679) 2.486 8.802 ( -0.235 -0.713 -2.253) 2.375 8.850 ( 0.584 -1.470 1.661) 2.294 18.858 ( -1.301 0.273 5.303) 5.467 19.509 ( -0.777 -1.517 -2.814) 3.290 19.711 ( -6.171 1.002 -1.436) 6.414 19.900 ( -2.930 -2.782 -3.273) 5.200 22.111 ( 24.928 -1.844 2.376) 25.109 22.413 ( 24.302 3.727 -2.823) 24.747 23.290 ( 7.659 -4.509 -0.801) 8.924 23.450 ( 7.481 -7.717 -6.608) 12.617 23.968 ( 1.127 0.145 16.154) 16.194 25.328 ( 1.074 -2.237 -8.736) 9.081 26.380 ( 6.502 -0.156 5.623) 8.598 26.867 ( 9.003 -1.550 -2.694) 9.524 47.962 ( 3.074 -0.191 3.089) 4.362 48.435 ( -0.333 -1.566 -5.769) 5.987 48.734 ( -13.378 -0.751 3.625) 13.881 48.933 ( -20.041 0.874 -0.958) 20.083 97.579 ( -0.752 -0.290 1.863) 2.030 97.789 ( 1.949 -1.860 -1.039) 2.887 98.086 ( 3.646 0.321 0.443) 3.686 98.372 ( -3.665 -4.501 -4.814) 7.541 98.991 ( -4.201 -1.426 1.290) 4.620 99.318 ( -1.855 -1.789 -2.574) 3.642 102.558 ( 7.130 0.561 13.053) 14.884 103.825 ( 3.965 -0.287 -7.876) 8.822======================= Grid point 174 (62/168) =======================q-point: ( 0.42 0.20 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 360Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.876 ( 7.938 -1.912 9.855) 12.798 2.200 ( 14.241 -5.166 5.824) 16.230 2.617 ( -1.314 -3.973 8.219) 9.223 2.697 ( 3.550 -4.014 5.529) 7.700 2.827 ( 1.585 3.087 -3.549) 4.964 3.126 ( -4.860 -2.984 -0.697) 5.745 3.249 ( -3.364 -4.629 -2.407) 6.208 3.690 ( -3.433 0.987 1.609) 3.918 4.005 ( 4.406 -1.397 -1.093) 4.750 4.243 ( 2.482 -3.102 -0.007) 3.973 4.453 ( 4.994 1.575 -6.420) 8.285 4.600 ( -1.425 1.987 -5.538) 6.054 5.009 ( 3.912 0.251 2.056) 4.427 5.264 ( 0.610 -2.645 -2.451) 3.657 5.519 ( -4.198 1.655 -0.096) 4.514 5.835 ( 2.446 0.250 2.468) 3.484 6.017 ( 2.552 0.514 -1.763) 3.144 6.192 ( -3.807 -0.174 -9.783) 10.499 7.966 ( -0.960 2.253 9.401) 9.715 8.187 ( -1.991 -0.994 4.693) 5.194 8.491 ( 1.923 2.945 -3.756) 5.146 8.680 ( -0.644 -1.135 1.663) 2.114 8.820 ( 1.267 -1.582 -1.845) 2.740 8.870 ( 0.849 -1.371 -0.008) 1.613 18.839 ( -0.619 0.347 5.488) 5.534 19.504 ( 0.343 -0.669 -1.135) 1.361 19.609 ( -3.889 1.444 -3.021) 5.132 19.854 ( -1.573 -3.850 -3.558) 5.473 22.531 ( 15.678 -2.231 2.107) 15.976 22.830 ( 15.990 3.544 -3.563) 16.762 23.396 ( 2.950 -5.122 -0.473) 5.930 23.538 ( 1.645 -5.825 -4.161) 7.345 23.983 ( 0.408 2.094 14.489) 14.645 25.351 ( 0.985 -2.272 -9.160) 9.489 26.482 ( 3.556 -0.385 5.847) 6.855 27.006 ( 4.734 -1.846 -2.943) 5.872 48.053 ( 6.037 -0.135 2.650) 6.595 48.415 ( -2.064 -1.409 -3.849) 4.590 48.523 ( -7.733 -1.206 1.399) 7.951 48.572 ( -14.107 0.071 -0.187) 14.108 97.559 ( -0.935 -0.186 2.084) 2.292 97.827 ( 1.638 -3.091 -1.970) 4.015 98.140 ( 1.762 -0.133 0.607) 1.868 98.294 ( -3.496 -2.072 -1.896) 4.485 98.928 ( -1.992 -0.969 1.641) 2.757 99.298 ( -0.381 -0.745 -4.560) 4.636 102.672 ( 4.030 0.340 12.106) 12.764 103.894 ( 2.541 -0.365 -7.911) 8.317======================= Grid point 175 (63/168) =======================q-point: (-0.50 0.20 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 210Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.968 ( 0.000 -3.562 7.923) 8.687 2.369 ( 0.000 -3.475 4.494) 5.681 2.558 ( 0.000 -5.022 12.470) 13.443 2.805 ( 0.000 -10.651 7.487) 13.019 2.837 ( -0.000 2.544 -3.991) 4.733 3.001 ( -0.000 0.633 -1.550) 1.675 3.231 ( 0.000 -2.102 -4.453) 4.924 3.649 ( 0.000 0.965 1.422) 1.719 4.054 ( 0.000 -2.744 -1.163) 2.980 4.263 ( 0.000 -2.854 0.030) 2.855 4.529 ( 0.000 0.231 -6.700) 6.704 4.568 ( 0.000 3.038 -5.487) 6.272 5.053 ( 0.000 -0.184 1.381) 1.393 5.273 ( 0.000 -2.676 -1.993) 3.337 5.470 ( 0.000 2.271 0.760) 2.395 5.862 ( 0.000 0.722 2.047) 2.170 6.054 ( 0.000 1.036 -0.866) 1.351 6.142 ( 0.000 -0.357 -10.771) 10.777 7.956 ( 0.000 2.358 9.601) 9.886 8.166 ( 0.000 -0.663 5.049) 5.093 8.507 ( 0.000 3.566 -4.435) 5.690 8.679 ( 0.000 -1.507 2.387) 2.823 8.836 ( 0.000 -2.572 -1.630) 3.045 8.878 ( 0.000 -0.706 -0.875) 1.124 18.833 ( 0.000 0.359 5.552) 5.564 19.514 ( 0.000 -0.023 1.733) 1.733 19.563 ( 0.000 1.221 -5.849) 5.975 19.838 ( 0.000 -4.224 -3.639) 5.575 22.697 ( 0.000 -2.404 2.035) 3.149 23.004 ( 0.000 3.548 -4.262) 5.546 23.421 ( 0.000 -5.378 -0.390) 5.392 23.545 ( 0.000 -5.223 -2.820) 5.936 23.987 ( 0.000 2.816 13.944) 14.225 25.362 ( 0.000 -2.282 -9.306) 9.582 26.519 ( 0.000 -0.483 5.893) 5.912 27.054 ( 0.000 -1.957 -3.042) 3.618 48.163 ( 0.000 0.187 2.582) 2.589 48.348 ( 0.000 -0.390 0.247) 0.461 48.381 ( 0.000 -1.033 -0.272) 1.069 48.487 ( 0.000 -1.816 -2.536) 3.119 97.549 ( 0.000 -0.152 2.173) 2.178 97.846 ( 0.000 -3.902 -2.524) 4.647 98.158 ( 0.000 -0.301 0.604) 0.675 98.255 ( 0.000 -0.789 -0.794) 1.120 98.909 ( 0.000 -0.834 1.697) 1.891 99.295 ( 0.000 -0.495 -4.991) 5.016 102.714 ( 0.000 0.298 11.804) 11.808 103.920 ( 0.000 -0.363 -7.922) 7.930======================= Grid point 182 (64/168) =======================q-point: ( 0.00 0.30 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 210Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.367 ( 0.000 18.923 2.501) 19.087 1.523 ( 0.000 21.287 2.581) 21.443 1.692 ( 0.000 8.736 -2.764) 9.163 1.830 ( 0.000 -0.105 -3.058) 3.060 2.559 ( 0.000 24.499 14.388) 28.412 2.657 ( 0.000 -5.814 1.692) 6.055 2.831 ( 0.000 -9.084 -1.155) 9.158 3.017 ( 0.000 -6.609 11.170) 12.979 3.277 ( 0.000 -13.206 3.543) 13.673 4.376 ( 0.000 2.184 -7.107) 7.435 4.668 ( 0.000 0.672 -4.172) 4.226 4.932 ( 0.000 -0.085 0.068) 0.109 4.940 ( 0.000 -0.061 -0.052) 0.080 5.248 ( 0.000 -8.860 4.159) 9.788 5.357 ( 0.000 -7.027 -10.700) 12.802 5.830 ( 0.000 0.580 -4.755) 4.790 6.201 ( 0.000 -2.299 -6.556) 6.947 6.639 ( 0.000 -0.823 -8.732) 8.771 7.514 ( 0.000 0.207 0.087) 0.225 7.525 ( 0.000 -0.400 -0.097) 0.411 8.276 ( 0.000 -0.607 16.873) 16.884 8.846 ( 0.000 1.056 2.713) 2.912 9.052 ( 0.000 2.777 3.128) 4.183 9.342 ( 0.000 0.031 -2.775) 2.775 18.962 ( 0.000 -0.654 4.483) 4.530 19.563 ( 0.000 -1.938 -4.574) 4.968 20.102 ( 0.000 -5.299 6.679) 8.525 20.402 ( 0.000 0.309 -0.852) 0.907 20.459 ( 0.000 0.741 -2.402) 2.513 20.788 ( 0.000 -1.664 -6.578) 6.785 21.994 ( 0.000 0.740 7.088) 7.126 22.618 ( 0.000 0.932 -3.601) 3.720 23.820 ( 0.000 -2.685 21.719) 21.884 25.523 ( 0.000 -5.515 -9.456) 10.947 25.880 ( 0.000 1.752 0.163) 1.759 25.910 ( 0.000 1.706 -0.296) 1.732 47.929 ( 0.000 0.100 3.237) 3.239 48.431 ( 0.000 -0.712 -5.135) 5.185 49.623 ( 0.000 0.364 5.342) 5.354 50.181 ( 0.000 -0.039 -4.558) 4.558 97.388 ( 0.000 0.256 0.086) 0.270 97.399 ( 0.000 0.297 -0.086) 0.309 97.821 ( 0.000 3.306 2.760) 4.307 98.325 ( 0.000 0.839 -6.211) 6.268 99.172 ( 0.000 -2.219 -2.180) 3.111 99.525 ( 0.000 -12.587 3.712) 13.123 102.158 ( 0.000 4.119 17.193) 17.680 103.735 ( 0.000 -2.121 -8.817) 9.069======================= Grid point 183 (65/168) =======================q-point: ( 0.08 0.30 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 360Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.415 ( 2.817 18.998 1.983) 19.308 1.579 ( 5.830 17.906 6.796) 20.019 1.859 ( 9.875 4.965 -1.705) 11.184 1.915 ( 12.797 2.745 -3.277) 13.492 2.599 ( 6.087 18.731 9.366) 21.809 2.744 ( 6.192 -5.952 1.248) 8.679 2.958 ( 7.175 -5.602 3.672) 9.816 3.028 ( 5.218 -8.640 7.953) 12.850 3.298 ( 3.086 -10.871 2.673) 11.612 4.316 ( -5.633 1.830 -6.527) 8.814 4.635 ( -3.073 0.854 -4.504) 5.519 4.888 ( -4.244 0.679 -1.192) 4.460 4.961 ( 1.577 -0.669 0.405) 1.760 5.227 ( -3.719 -12.088 -0.430) 12.655 5.363 ( 3.114 -1.074 -3.579) 4.864 5.826 ( -0.125 1.151 -4.203) 4.360 6.128 ( -6.202 -1.928 -4.393) 7.841 6.583 ( -4.537 0.389 -9.388) 10.434 7.620 ( 8.833 -0.406 -0.182) 8.844 7.694 ( 14.643 -2.252 -2.159) 14.972 8.261 ( -1.364 -0.928 16.513) 16.595 8.834 ( -1.184 0.877 2.639) 3.023 9.001 ( -4.654 2.513 2.822) 5.995 9.273 ( -6.433 0.236 -2.551) 6.924 18.952 ( -0.963 -0.540 4.564) 4.696 19.553 ( -1.009 -2.007 -4.246) 4.804 20.034 ( -5.092 -4.246 3.358) 7.431 20.306 ( -9.668 0.248 -3.715) 10.360 20.594 ( 15.930 -0.929 1.992) 16.081 21.005 ( 17.574 0.849 -4.616) 18.190 22.200 ( 18.331 -3.570 3.263) 18.958 22.681 ( 6.015 0.216 -3.273) 6.852 23.828 ( 0.909 -2.447 21.107) 21.268 25.420 ( -6.813 -3.556 -7.901) 11.022 25.947 ( 4.941 1.816 0.602) 5.298 26.064 ( 13.176 -0.582 -1.711) 13.300 47.924 ( -0.379 0.088 3.251) 3.274 48.427 ( -0.300 -0.775 -5.189) 5.255 49.544 ( -7.679 0.293 5.199) 9.278 50.071 ( -10.557 0.411 -4.096) 11.331 97.433 ( 3.258 0.179 0.177) 3.267 97.495 ( 8.786 -2.088 -1.096) 9.097 97.834 ( 1.556 3.287 2.688) 4.523 98.323 ( -0.223 -0.026 -5.988) 5.992 99.160 ( -1.225 -2.023 -2.521) 3.456 99.481 ( -4.091 -11.178 3.476) 12.400 102.190 ( 3.171 3.650 16.758) 17.442 103.718 ( -1.235 -1.390 -8.468) 8.670======================= Grid point 184 (66/168) =======================q-point: ( 0.17 0.30 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 360Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.477 ( 4.013 14.239 4.811) 15.556 1.687 ( 3.959 15.245 10.755) 19.072 2.026 ( 8.945 0.378 -0.251) 8.957 2.303 ( 21.146 5.464 -3.226) 22.077 2.796 ( 8.756 5.109 1.636) 10.269 2.847 ( 4.053 0.347 4.750) 6.254 2.974 ( 1.733 -10.097 7.409) 12.643 3.297 ( 14.544 -9.873 0.678) 17.591 3.468 ( 14.414 -2.599 1.398) 14.713 4.170 ( -8.133 0.951 -4.625) 9.404 4.555 ( -4.546 1.394 -5.131) 6.995 4.784 ( -5.468 1.152 -3.663) 6.681 4.964 ( -1.435 -0.976 2.559) 3.092 5.163 ( -1.172 -6.729 -2.072) 7.138 5.466 ( 6.151 -0.738 0.622) 6.226 5.835 ( 0.955 1.895 -3.582) 4.163 5.991 ( -6.784 -2.240 -1.620) 7.326 6.482 ( -5.292 0.798 -10.194) 11.513 7.835 ( 11.199 -0.675 -0.450) 11.228 7.990 ( 12.749 -1.474 -2.265) 13.032 8.237 ( -0.277 -2.533 14.045) 14.274 8.798 ( -2.402 0.515 2.586) 3.567 8.891 ( -5.325 1.415 1.682) 5.761 9.107 ( -9.421 0.479 -2.018) 9.647 18.925 ( -1.583 -0.238 4.794) 5.054 19.526 ( -1.552 -1.957 -3.575) 4.362 19.926 ( -5.577 -3.685 0.848) 6.738 20.120 ( -8.391 0.710 -3.999) 9.322 21.011 ( 24.568 -1.067 3.142) 24.791 21.433 ( 24.228 2.325 -3.499) 24.590 22.626 ( 21.702 -8.118 -2.396) 23.294 22.843 ( 9.640 -1.536 -2.522) 10.082 23.859 ( 2.220 -1.731 19.607) 19.808 25.312 ( -3.607 -2.532 -7.548) 8.741 26.077 ( 7.578 1.198 2.171) 7.973 26.349 ( 14.259 -1.526 -2.440) 14.547 47.917 ( -0.223 0.015 3.246) 3.254 48.420 ( -0.408 -0.986 -5.345) 5.451 49.327 ( -13.455 0.069 4.843) 14.300 49.777 ( -17.927 0.962 -3.139) 18.225 97.511 ( 3.920 0.001 0.665) 3.976 97.653 ( 5.244 -3.552 -1.549) 6.521 97.902 ( 5.336 2.424 1.705) 6.104 98.319 ( -0.077 -2.389 -5.250) 5.768 99.120 ( -2.800 -1.844 -2.682) 4.293 99.382 ( -4.931 -7.621 2.092) 9.315 102.284 ( 6.011 2.501 15.593) 16.897 103.707 ( 0.556 -0.478 -7.962) 7.995======================= Grid point 185 (67/168) =======================q-point: ( 0.25 0.30 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 360Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.587 ( 6.706 6.547 9.424) 13.291 1.756 ( 3.827 11.561 10.461) 16.054 2.225 ( 10.662 0.017 -0.169) 10.664 2.685 ( 14.321 4.226 -4.642) 15.637 2.808 ( -4.055 -5.226 11.585) 13.341 2.886 ( 2.978 -5.146 -0.008) 5.945 3.144 ( 8.048 -5.742 -2.027) 10.092 3.575 ( 12.773 -3.815 2.325) 13.532 3.786 ( 14.196 -1.248 -1.151) 14.297 4.025 ( -4.962 0.606 -1.241) 5.151 4.465 ( -3.904 1.814 -5.559) 7.030 4.693 ( -3.154 1.410 -6.138) 7.043 4.936 ( -0.406 1.054 4.582) 4.719 5.167 ( 0.948 -3.947 -2.326) 4.679 5.588 ( 5.484 -0.294 0.720) 5.539 5.812 ( -4.676 0.691 -1.666) 5.011 5.917 ( 1.141 -1.209 -0.545) 1.750 6.374 ( -5.314 0.284 -10.156) 11.466 8.008 ( 4.389 0.878 2.593) 5.173 8.152 ( 4.153 -0.408 7.122) 8.255 8.302 ( 6.498 -2.681 0.914) 7.089 8.745 ( -2.017 -0.028 1.540) 2.538 8.815 ( -2.359 -0.620 0.075) 2.440 8.923 ( -8.006 0.596 -0.909) 8.080 18.892 ( -1.594 0.094 5.108) 5.352 19.497 ( -1.143 -1.572 -2.947) 3.530 19.814 ( -5.428 -2.810 -0.379) 6.124 19.971 ( -6.531 0.408 -4.028) 7.684 21.546 ( 27.629 -0.942 3.154) 27.824 21.954 ( 26.694 2.591 -3.343) 27.027 23.008 ( 14.179 -5.983 -3.473) 15.776 23.057 ( 12.333 -5.569 -3.264) 13.920 23.916 ( 3.245 -0.517 17.657) 17.960 25.273 ( -0.476 -2.322 -7.809) 8.160 26.236 ( 7.800 0.570 3.641) 8.627 26.619 ( 12.197 -1.737 -2.681) 12.609 47.921 ( 0.830 -0.113 3.137) 3.247 48.412 ( -0.401 -1.296 -5.542) 5.706 49.025 ( -15.810 -0.283 4.402) 16.414 49.376 ( -21.261 0.965 -2.144) 21.390 97.570 ( 1.615 -0.003 1.061) 1.932 97.713 ( 1.715 -2.682 -0.834) 3.290 98.016 ( 5.151 1.515 0.701) 5.415 98.315 ( -0.599 -4.335 -3.824) 5.811 99.046 ( -4.379 -1.976 -1.027) 4.913 99.307 ( -2.274 -3.679 -1.369) 4.536 102.423 ( 7.462 1.323 14.121) 16.026 103.746 ( 3.085 -0.268 -7.761) 8.356======================= Grid point 186 (68/168) =======================q-point: ( 0.33 0.30 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 360Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.727 ( 6.617 1.440 12.949) 14.612 1.878 ( 8.982 3.740 7.218) 12.115 2.439 ( 9.822 -0.974 0.285) 9.874 2.674 ( -6.373 -5.951 12.067) 14.888 2.848 ( 2.552 1.377 -5.248) 5.996 3.030 ( 7.361 -2.598 -2.190) 8.108 3.184 ( -2.593 -10.109 -1.305) 10.517 3.756 ( 3.099 2.477 2.421) 4.647 3.921 ( 1.981 -0.593 -2.059) 2.918 4.073 ( 7.338 -2.915 0.609) 7.920 4.423 ( 0.366 1.790 -6.153) 6.419 4.655 ( -1.010 1.645 -7.726) 7.964 4.964 ( 2.993 2.549 4.447) 5.935 5.191 ( 1.294 -2.995 -1.673) 3.667 5.633 ( -2.796 1.457 -1.388) 3.444 5.762 ( 2.395 -1.225 2.878) 3.939 5.968 ( 3.018 0.320 -1.214) 3.269 6.272 ( -4.731 -0.324 -9.529) 10.644 8.029 ( -0.730 1.894 8.742) 8.975 8.194 ( -0.163 -1.412 4.320) 4.548 8.439 ( 6.478 0.746 -1.817) 6.769 8.714 ( -2.508 -0.699 -1.439) 2.974 8.785 ( -0.253 -0.906 -1.326) 1.625 8.823 ( -1.286 -0.985 1.420) 2.154 18.864 ( -1.153 0.324 5.414) 5.545 19.485 ( -0.007 -0.854 -2.277) 2.431 19.712 ( -4.587 -1.095 -1.551) 4.965 19.855 ( -4.920 -1.467 -3.672) 6.312 22.083 ( 24.664 -1.011 2.891) 24.853 22.474 ( 24.066 2.421 -3.678) 24.465 23.201 ( 6.851 -4.271 -0.823) 8.115 23.302 ( 9.594 -6.812 -5.045) 12.802 23.982 ( 3.042 1.072 15.531) 15.863 25.282 ( 1.007 -2.376 -8.157) 8.556 26.379 ( 6.136 0.049 4.617) 7.679 26.832 ( 8.774 -1.867 -2.845) 9.411 47.958 ( 3.036 -0.199 2.843) 4.164 48.403 ( -0.492 -1.557 -5.571) 5.805 48.719 ( -13.826 -0.690 3.852) 14.369 48.948 ( -20.599 0.590 -1.173) 20.641 97.577 ( -0.585 0.189 1.319) 1.455 97.741 ( 1.062 -3.016 -1.063) 3.370 98.099 ( 3.102 1.050 0.713) 3.351 98.290 ( -1.748 -3.757 -2.109) 4.649 98.961 ( -3.597 -1.514 0.580) 3.946 99.284 ( -0.344 -1.519 -4.154) 4.436 102.569 ( 6.696 0.598 12.845) 14.498 103.819 ( 3.857 -0.318 -7.747) 8.660======================= Grid point 187 (69/168) =======================q-point: ( 0.42 0.30 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 360Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.844 ( 4.815 -1.390 11.062) 12.144 2.104 ( 12.313 -3.861 6.538) 14.466 2.527 ( -4.309 -4.908 11.347) 13.093 2.598 ( 0.856 -6.431 4.529) 7.912 2.892 ( 1.490 3.083 -4.891) 5.970 3.021 ( -3.474 -6.468 -1.576) 7.509 3.192 ( 1.737 -1.136 -4.993) 5.407 3.724 ( -3.624 2.387 3.265) 5.430 3.974 ( 2.159 -1.842 -1.547) 3.232 4.175 ( 2.724 -3.929 0.599) 4.818 4.477 ( 3.933 0.939 -7.442) 8.470 4.637 ( -0.905 2.005 -7.948) 8.246 5.032 ( 2.936 1.901 3.078) 4.659 5.214 ( 0.933 -2.376 -0.492) 2.599 5.555 ( -3.387 2.026 0.410) 3.968 5.837 ( 3.455 0.028 2.524) 4.279 6.027 ( 2.743 0.482 -1.567) 3.195 6.186 ( -3.782 -0.505 -8.871) 9.657 8.010 ( -0.815 1.997 10.083) 10.311 8.173 ( -1.226 -0.304 3.655) 3.868 8.540 ( 3.152 1.917 -3.544) 5.115 8.666 ( -1.320 -0.482 0.035) 1.406 8.785 ( -0.038 -1.669 -0.653) 1.792 8.838 ( 1.437 -1.841 -0.466) 2.381 18.847 ( -0.569 0.438 5.631) 5.677 19.497 ( 1.189 0.031 -1.078) 1.606 19.631 ( -3.421 0.596 -3.414) 4.869 19.776 ( -2.775 -3.817 -3.011) 5.598 22.498 ( 15.449 -1.196 2.656) 15.721 22.886 ( 15.887 2.205 -4.510) 16.661 23.294 ( 2.437 -5.023 -0.231) 5.588 23.425 ( 2.782 -5.358 -3.617) 7.038 24.030 ( 1.666 2.535 13.830) 14.158 25.303 ( 0.943 -2.461 -8.420) 8.823 26.475 ( 3.328 -0.319 5.123) 6.117 26.967 ( 4.573 -2.005 -2.973) 5.811 48.051 ( 6.244 -0.115 2.363) 6.677 48.386 ( -1.528 -1.452 -3.946) 4.474 48.499 ( -7.451 -1.124 1.884) 7.767 48.572 ( -15.828 -0.069 -0.310) 15.831 97.560 ( -0.837 0.373 1.485) 1.745 97.757 ( 0.547 -3.941 -1.560) 4.274 98.143 ( 1.364 0.447 0.757) 1.623 98.254 ( -1.575 -1.955 -0.837) 2.646 98.908 ( -1.679 -1.006 1.224) 2.309 99.283 ( 0.109 -0.715 -5.215) 5.265 102.679 ( 3.910 0.315 12.043) 12.666 103.887 ( 2.539 -0.336 -7.767) 8.179======================= Grid point 188 (70/168) =======================q-point: (-0.50 0.30 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 210Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.899 ( 0.000 -3.236 9.361) 9.904 2.284 ( 0.000 -5.016 5.970) 7.798 2.449 ( 0.000 -6.422 9.648) 11.589 2.574 ( 0.000 -11.322 11.206) 15.930 2.891 ( 0.000 3.085 -6.471) 7.169 3.020 ( 0.000 1.173 -2.206) 2.499 3.198 ( 0.000 -1.411 -6.481) 6.633 3.679 ( 0.000 2.225 3.446) 4.102 3.996 ( 0.000 -3.242 -0.968) 3.384 4.199 ( 0.000 -3.739 0.369) 3.757 4.528 ( 0.000 -0.198 -7.900) 7.902 4.624 ( 0.000 2.667 -7.971) 8.405 5.063 ( 0.000 1.200 2.347) 2.636 5.224 ( 0.000 -2.192 0.126) 2.195 5.519 ( 0.000 2.619 1.251) 2.902 5.875 ( 0.000 0.616 2.475) 2.550 6.066 ( 0.000 0.201 -0.771) 0.797 6.135 ( 0.000 -0.307 -9.717) 9.722 8.001 ( 0.000 2.074 10.252) 10.459 8.159 ( 0.000 0.105 3.689) 3.691 8.567 ( 0.000 2.344 -5.340) 5.831 8.658 ( 0.000 -0.505 2.091) 2.151 8.785 ( 0.000 -2.383 -0.773) 2.505 8.854 ( 0.000 -1.589 -1.053) 1.906 18.841 ( 0.000 0.470 5.710) 5.729 19.518 ( 0.000 0.527 1.120) 1.237 19.588 ( 0.000 1.199 -5.972) 6.091 19.748 ( 0.000 -4.866 -2.640) 5.536 22.662 ( 0.000 -1.244 2.580) 2.865 23.061 ( 0.000 2.282 -5.429) 5.889 23.313 ( 0.000 -5.364 -0.028) 5.364 23.442 ( 0.000 -4.968 -2.380) 5.508 24.047 ( 0.000 3.140 13.194) 13.563 25.314 ( 0.000 -2.494 -8.518) 8.875 26.509 ( 0.000 -0.456 5.274) 5.294 27.013 ( 0.000 -2.066 -3.023) 3.661 48.167 ( 0.000 0.288 2.234) 2.252 48.340 ( 0.000 -0.395 0.147) 0.422 48.360 ( 0.000 -1.046 -0.167) 1.059 48.450 ( 0.000 -1.945 -2.212) 2.946 97.551 ( 0.000 0.443 1.546) 1.608 97.762 ( 0.000 -4.442 -1.801) 4.793 98.156 ( 0.000 0.185 0.745) 0.767 98.237 ( 0.000 -1.035 -0.369) 1.099 98.892 ( 0.000 -0.842 1.390) 1.625 99.285 ( 0.000 -0.513 -5.444) 5.468 102.719 ( 0.000 0.255 11.777) 11.779 103.913 ( 0.000 -0.330 -7.776) 7.783======================= Grid point 195 (71/168) =======================q-point: ( 0.00 0.40 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 210Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.693 ( 0.000 13.730 1.143) 13.778 1.806 ( 0.000 9.195 3.636) 9.888 1.849 ( 0.000 6.678 -1.357) 6.815 1.998 ( 0.000 13.759 1.647) 13.858 2.547 ( 0.000 -4.885 0.944) 4.975 2.582 ( 0.000 -9.644 9.276) 13.381 2.649 ( 0.000 -8.815 -0.703) 8.843 2.945 ( 0.000 -15.669 6.026) 16.788 3.374 ( 0.000 27.423 6.569) 28.198 4.363 ( 0.000 -5.725 -7.995) 9.833 4.664 ( 0.000 -0.331 -0.103) 0.346 4.930 ( 0.000 -0.100 0.080) 0.128 4.939 ( 0.000 -0.014 -0.062) 0.064 4.971 ( 0.000 -14.173 -0.167) 14.174 5.317 ( 0.000 0.119 0.325) 0.346 5.840 ( 0.000 0.279 -4.663) 4.671 6.185 ( 0.000 0.275 -7.944) 7.949 6.616 ( 0.000 -1.329 -14.064) 14.127 7.515 ( 0.000 -0.097 0.037) 0.104 7.521 ( 0.000 -0.024 -0.050) 0.056 8.271 ( 0.000 -0.102 16.518) 16.518 8.865 ( 0.000 0.798 2.248) 2.385 9.096 ( 0.000 1.653 2.633) 3.109 9.341 ( 0.000 -0.062 -2.140) 2.141 18.951 ( 0.000 -0.394 4.488) 4.505 19.532 ( 0.000 -1.166 -4.112) 4.274 20.021 ( 0.000 -2.888 5.299) 6.035 20.408 ( 0.000 0.219 -0.825) 0.854 20.471 ( 0.000 0.452 -3.159) 3.191 20.764 ( 0.000 -0.807 -8.113) 8.153 22.006 ( 0.000 0.430 7.313) 7.325 22.632 ( 0.000 0.531 -3.520) 3.560 23.788 ( 0.000 -0.891 18.715) 18.737 25.436 ( 0.000 -3.232 -9.678) 10.204 25.910 ( 0.000 1.155 0.123) 1.161 25.937 ( 0.000 0.992 -0.296) 1.035 47.930 ( 0.000 0.065 3.140) 3.141 48.419 ( 0.000 -0.460 -5.111) 5.132 49.629 ( 0.000 0.223 5.416) 5.420 50.178 ( 0.000 -0.165 -3.967) 3.970 97.393 ( 0.000 0.159 0.091) 0.183 97.404 ( 0.000 0.183 -0.091) 0.205 97.881 ( 0.000 2.624 3.390) 4.287 98.321 ( 0.000 -0.859 -2.618) 2.755 99.158 ( 0.000 0.783 -4.863) 4.926 99.325 ( 0.000 -7.966 -0.658) 7.993 102.223 ( 0.000 2.336 16.019) 16.188 103.700 ( 0.000 -1.331 -8.168) 8.276======================= Grid point 196 (72/168) =======================q-point: ( 0.08 0.40 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 360Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.741 ( 1.652 13.254 2.318) 13.556 1.857 ( 5.348 9.707 3.620) 11.659 1.990 ( 7.946 10.015 -0.409) 12.791 2.052 ( 10.604 8.506 1.622) 13.690 2.571 ( 3.183 -10.416 4.994) 11.982 2.620 ( 4.380 -6.631 1.057) 8.017 2.796 ( 11.389 -8.523 1.614) 14.316 2.952 ( 1.106 -11.827 7.030) 13.803 3.407 ( 4.233 23.397 4.833) 24.263 4.297 ( -6.061 -5.469 -6.906) 10.693 4.636 ( -2.469 -0.022 -0.595) 2.540 4.866 ( -4.865 -4.868 -2.330) 7.266 4.948 ( 0.537 -0.412 0.810) 1.056 5.009 ( 2.472 -6.366 0.297) 6.835 5.355 ( 3.781 0.057 1.039) 3.922 5.841 ( 0.252 0.379 -4.036) 4.061 6.113 ( -6.298 0.133 -6.554) 9.090 6.578 ( -3.462 -0.618 -13.852) 14.291 7.613 ( 8.677 -0.317 -0.229) 8.686 7.662 ( 12.703 -1.057 -1.013) 12.787 8.253 ( -1.714 -0.149 16.237) 16.328 8.850 ( -1.461 0.685 2.023) 2.588 9.041 ( -5.157 1.465 2.409) 5.878 9.275 ( -6.233 0.010 -2.019) 6.552 18.943 ( -0.781 -0.322 4.590) 4.667 19.521 ( -1.029 -1.172 -3.788) 4.096 19.966 ( -4.525 -2.584 2.908) 5.968 20.312 ( -9.793 0.275 -4.731) 10.880 20.581 ( 15.555 -0.419 1.427) 15.626 21.016 ( 19.277 0.333 -5.934) 20.173 22.158 ( 14.119 -1.148 4.878) 14.982 22.684 ( 5.001 0.153 -3.240) 5.961 23.799 ( 1.182 -0.821 18.475) 18.531 25.361 ( -5.419 -2.322 -8.401) 10.264 25.979 ( 4.543 1.276 0.281) 4.727 26.057 ( 11.772 -0.220 -1.317) 11.848 47.926 ( -0.415 0.049 3.137) 3.165 48.415 ( -0.409 -0.501 -5.156) 5.197 49.549 ( -7.799 0.177 5.299) 9.430 50.074 ( -10.070 0.020 -3.714) 10.733 97.437 ( 3.218 0.261 0.060) 3.229 97.466 ( 6.282 -0.975 -0.497) 6.377 97.894 ( 1.421 2.575 3.261) 4.391 98.308 ( -1.175 -1.068 -2.462) 2.930 99.145 ( -1.417 0.444 -4.644) 4.875 99.303 ( -1.929 -6.986 -0.782) 7.289 102.248 ( 2.511 2.098 15.698) 16.036 103.693 ( -0.421 -1.007 -8.021) 8.095======================= Grid point 197 (73/168) =======================q-point: ( 0.17 0.40 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 360Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.735 ( -1.235 10.709 5.143) 11.944 1.961 ( 4.032 11.105 5.138) 12.883 2.107 ( 5.998 9.150 2.095) 11.140 2.403 ( 19.539 4.197 -0.504) 19.991 2.658 ( 4.052 -7.727 2.309) 9.025 2.714 ( 2.885 -14.039 0.291) 14.336 2.934 ( 2.315 -3.016 7.237) 8.175 3.134 ( 17.590 -6.517 3.423) 19.068 3.577 ( 12.142 12.765 0.641) 17.629 4.151 ( -7.445 -3.557 -4.973) 9.634 4.573 ( -3.602 0.782 -1.647) 4.037 4.765 ( -4.619 -3.228 -5.096) 7.598 4.946 ( -0.239 -0.311 2.942) 2.968 5.065 ( 2.656 -2.872 -0.650) 3.966 5.458 ( 6.029 -0.206 1.739) 6.278 5.859 ( 1.604 0.455 -2.954) 3.392 5.966 ( -7.730 -0.301 -4.051) 8.733 6.488 ( -5.232 -0.020 -12.911) 13.931 7.826 ( 11.348 -0.201 -0.331) 11.355 7.955 ( 14.856 -1.700 -2.055) 15.093 8.211 ( -2.082 -0.524 15.194) 15.345 8.808 ( -2.616 0.477 1.395) 3.003 8.912 ( -6.835 0.689 1.687) 7.073 9.112 ( -9.208 0.175 -1.638) 9.355 18.921 ( -1.300 -0.135 4.852) 5.025 19.496 ( -1.341 -1.079 -3.160) 3.598 19.864 ( -5.289 -2.374 0.886) 5.865 20.131 ( -8.068 0.422 -5.055) 9.530 20.995 ( 24.618 -0.534 2.979) 24.803 21.466 ( 24.759 1.068 -4.492) 25.186 22.516 ( 19.835 -3.424 0.166) 20.129 22.821 ( 8.104 -0.784 -2.509) 8.520 23.839 ( 2.863 -0.547 17.786) 18.023 25.270 ( -3.174 -1.656 -7.667) 8.462 26.099 ( 7.044 0.898 1.508) 7.260 26.324 ( 13.809 -0.929 -2.300) 14.030 47.917 ( -0.313 -0.003 3.101) 3.117 48.404 ( -0.629 -0.627 -5.281) 5.355 49.328 ( -13.692 0.041 4.991) 14.574 49.789 ( -17.656 0.317 -3.073) 17.924 97.515 ( 3.953 0.381 0.322) 3.985 97.594 ( 5.094 -2.370 -0.971) 5.702 97.950 ( 4.328 2.207 2.444) 5.439 98.278 ( -1.679 -1.726 -1.990) 3.124 99.095 ( -3.562 -0.796 -3.125) 4.805 99.266 ( -1.370 -4.162 -2.122) 4.869 102.324 ( 5.036 1.495 14.841) 15.744 103.697 ( 1.051 -0.488 -7.779) 7.865======================= Grid point 198 (74/168) =======================q-point: ( 0.25 0.40 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 360Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.721 ( 0.230 6.146 8.078) 10.153 2.002 ( 0.520 12.772 8.173) 15.173 2.257 ( 8.644 3.322 -0.389) 9.268 2.663 ( -3.920 -9.405 6.611) 12.146 2.737 ( 4.348 -3.902 -1.178) 5.960 2.785 ( 14.428 0.937 -1.161) 14.505 2.981 ( 1.248 -8.983 4.353) 10.060 3.523 ( 18.952 -2.642 2.794) 19.338 3.815 ( 8.932 3.713 -2.052) 9.888 4.032 ( -3.590 -0.040 -3.481) 5.001 4.500 ( -3.290 1.773 -2.821) 4.682 4.699 ( -1.801 -0.776 -7.877) 8.117 4.957 ( 1.738 1.059 4.477) 4.918 5.108 ( 1.661 -2.102 -0.683) 2.765 5.584 ( 6.243 -0.110 1.726) 6.478 5.812 ( -6.868 -0.453 -2.700) 7.394 5.910 ( 3.035 0.288 -0.900) 3.178 6.375 ( -5.749 -0.066 -11.350) 12.724 8.016 ( 6.017 0.105 1.954) 6.327 8.157 ( 1.405 0.714 9.746) 9.873 8.253 ( 10.290 -2.173 -0.031) 10.517 8.748 ( -3.034 0.328 0.281) 3.065 8.800 ( -3.865 -0.903 0.282) 3.979 8.934 ( -7.836 0.437 -0.705) 7.880 18.894 ( -1.351 0.074 5.186) 5.360 19.474 ( -0.611 -0.744 -2.678) 2.846 19.761 ( -4.797 -2.210 -0.022) 5.282 19.980 ( -7.090 0.451 -4.884) 8.621 21.533 ( 27.691 -0.481 3.274) 27.888 21.990 ( 26.643 1.191 -3.923) 26.957 22.901 ( 17.342 -3.895 -3.200) 18.060 22.992 ( 8.497 -1.981 -1.635) 8.876 23.913 ( 4.311 0.044 16.576) 17.127 25.235 ( -0.456 -1.496 -7.572) 7.732 26.247 ( 7.290 0.480 2.856) 7.845 26.589 ( 12.071 -1.174 -2.689) 12.422 47.919 ( 0.733 -0.077 2.964) 3.055 48.391 ( -0.653 -0.810 -5.430) 5.528 49.021 ( -16.118 -0.166 4.571) 16.754 49.389 ( -21.378 0.406 -2.234) 21.498 97.577 ( 1.864 0.738 0.532) 2.074 97.658 ( 1.725 -2.731 -0.629) 3.291 98.050 ( 4.840 1.777 1.194) 5.293 98.247 ( -1.297 -2.600 -1.259) 3.167 99.012 ( -4.298 -1.360 -0.995) 4.617 99.253 ( 0.045 -1.814 -4.108) 4.491 102.445 ( 6.672 0.826 13.725) 15.283 103.740 ( 3.162 -0.244 -7.663) 8.294======================= Grid point 199 (75/168) =======================q-point: ( 0.33 0.40 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 360Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.752 ( 2.786 1.227 10.392) 10.829 2.016 ( 1.517 9.426 8.033) 12.477 2.420 ( 6.227 -1.167 0.600) 6.363 2.547 ( -6.331 -7.530 9.145) 13.432 2.826 ( 4.925 -2.616 -3.120) 6.390 2.923 ( -1.313 -7.586 2.555) 8.112 3.081 ( 8.985 0.270 -3.039) 9.489 3.807 ( 5.138 2.110 2.193) 5.972 3.893 ( 2.488 -2.121 -1.823) 3.743 4.029 ( 2.562 -1.220 -1.746) 3.332 4.462 ( -0.060 2.058 -5.156) 5.552 4.682 ( -0.346 0.865 -9.584) 9.630 5.015 ( 3.524 2.479 4.577) 6.286 5.139 ( 1.595 -2.310 0.500) 2.851 5.662 ( -2.674 1.476 -1.112) 3.251 5.736 ( 3.554 -1.417 2.303) 4.465 5.977 ( 3.273 0.445 -0.826) 3.405 6.264 ( -5.104 -0.378 -9.704) 10.971 8.054 ( -0.616 0.648 9.122) 9.166 8.181 ( 0.656 -0.028 4.464) 4.512 8.448 ( 7.993 0.173 -2.227) 8.299 8.696 ( -2.559 -0.799 -2.119) 3.417 8.763 ( 0.540 -1.203 -0.529) 1.421 8.817 ( -3.645 0.127 0.802) 3.734 18.870 ( -1.006 0.228 5.507) 5.603 19.476 ( 0.799 -0.129 -2.348) 2.484 19.676 ( -3.505 -1.990 -0.687) 4.089 19.843 ( -6.507 -0.044 -4.430) 7.873 22.069 ( 24.569 -0.472 3.121) 24.771 22.507 ( 23.852 1.056 -4.050) 24.217 23.134 ( 5.990 -2.413 -0.697) 6.495 23.198 ( 10.824 -3.748 -4.233) 12.212 24.003 ( 4.307 0.917 14.800) 15.442 25.242 ( 0.911 -1.549 -7.669) 7.876 26.380 ( 5.726 0.098 3.930) 6.946 26.800 ( 8.683 -1.253 -2.863) 9.228 47.955 ( 3.023 -0.121 2.643) 4.018 48.378 ( -0.630 -0.970 -5.400) 5.523 48.708 ( -14.158 -0.404 3.999) 14.718 48.956 ( -20.947 0.257 -1.298) 20.989 97.589 ( -0.320 1.137 0.674) 1.360 97.678 ( 0.433 -3.177 -0.668) 3.275 98.126 ( 2.577 1.682 0.740) 3.165 98.227 ( -0.686 -2.727 -0.531) 2.862 98.936 ( -3.054 -0.998 0.325) 3.229 99.261 ( 0.577 -0.811 -5.247) 5.340 102.579 ( 6.301 0.374 12.691) 14.174 103.814 ( 3.847 -0.199 -7.652) 8.567======================= Grid point 200 (76/168) =======================q-point: ( 0.42 0.40 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 360Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.817 ( 2.998 -1.418 11.115) 11.600 2.082 ( 5.308 2.138 6.811) 8.896 2.415 ( -6.892 -8.679 7.296) 13.269 2.462 ( -1.790 -4.512 9.936) 11.058 2.924 ( 2.643 -1.525 -2.748) 4.106 2.942 ( 5.758 0.268 -4.359) 7.227 3.190 ( 1.335 0.570 -6.591) 6.749 3.773 ( -3.442 2.299 4.387) 6.031 3.934 ( -0.029 -2.089 -2.841) 3.526 4.100 ( 2.994 -3.236 1.409) 4.628 4.493 ( 2.419 0.677 -7.733) 8.130 4.674 ( -0.395 1.550 -10.129) 10.255 5.075 ( 2.081 2.460 3.768) 4.958 5.170 ( 1.315 -2.232 2.073) 3.318 5.592 ( -2.681 1.490 0.664) 3.138 5.837 ( 4.471 -0.036 2.093) 4.937 6.034 ( 2.315 0.241 -0.982) 2.527 6.175 ( -3.687 -0.532 -8.646) 9.414 8.037 ( -0.736 0.708 10.364) 10.414 8.178 ( -0.521 0.642 3.162) 3.268 8.565 ( 3.427 0.678 -4.043) 5.343 8.657 ( -0.799 -0.431 -0.918) 1.291 8.765 ( -1.160 -0.377 0.369) 1.274 8.802 ( 1.658 -1.673 -0.633) 2.439 18.854 ( -0.505 0.315 5.740) 5.771 19.506 ( 2.084 0.804 -1.678) 2.794 19.623 ( -1.755 -1.438 -2.016) 3.035 19.723 ( -5.243 -1.386 -3.637) 6.530 22.482 ( 15.401 -0.504 2.904) 15.681 22.917 ( 15.846 0.938 -4.847) 16.597 23.212 ( 1.893 -3.084 0.041) 3.619 23.342 ( 3.462 -3.000 -3.432) 5.724 24.074 ( 2.567 1.763 13.076) 13.441 25.262 ( 0.869 -1.639 -7.781) 7.999 26.471 ( 3.094 -0.173 4.588) 5.536 26.934 ( 4.503 -1.302 -2.950) 5.538 48.049 ( 6.441 -0.055 2.121) 6.782 48.362 ( -1.132 -0.927 -3.959) 4.221 48.481 ( -7.650 -0.673 2.189) 7.985 48.570 ( -16.734 -0.087 -0.373) 16.738 97.577 ( -0.670 1.418 0.749) 1.738 97.680 ( -0.086 -3.722 -0.870) 3.823 98.158 ( 0.791 1.076 0.714) 1.515 98.218 ( -0.263 -1.723 -0.103) 1.746 98.892 ( -1.387 -0.644 0.986) 1.819 99.272 ( 0.425 -0.425 -5.682) 5.714 102.684 ( 3.789 0.181 11.998) 12.584 103.881 ( 2.545 -0.192 -7.664) 8.078======================= Grid point 201 (77/168) =======================q-point: (-0.50 0.40 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 210Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.850 ( 0.000 -1.661 10.685) 10.813 2.190 ( 0.000 -4.116 6.308) 7.533 2.292 ( 0.000 -8.095 5.372) 9.715 2.431 ( 0.000 -3.699 16.092) 16.511 2.956 ( 0.000 3.351 -7.124) 7.872 3.035 ( 0.000 0.020 -4.124) 4.124 3.175 ( 0.000 -0.914 -7.642) 7.697 3.732 ( 0.000 3.021 5.388) 6.177 3.930 ( 0.000 -3.400 -1.660) 3.784 4.128 ( 0.000 -3.102 1.120) 3.298 4.524 ( 0.000 -0.198 -8.313) 8.315 4.669 ( 0.000 1.856 -10.361) 10.526 5.096 ( 0.000 2.050 3.327) 3.908 5.185 ( 0.000 -2.034 2.790) 3.452 5.564 ( 0.000 1.818 1.452) 2.327 5.887 ( 0.000 0.560 2.270) 2.338 6.063 ( 0.000 -0.423 -0.705) 0.822 6.130 ( 0.000 -0.238 -8.995) 8.998 8.029 ( 0.000 0.746 10.425) 10.451 8.171 ( 0.000 0.937 3.020) 3.162 8.592 ( 0.000 0.259 -6.330) 6.335 8.658 ( 0.000 0.327 1.616) 1.649 8.752 ( 0.000 -0.862 0.145) 0.874 8.822 ( 0.000 -1.563 -0.973) 1.841 18.849 ( 0.000 0.344 5.826) 5.836 19.538 ( -0.000 1.609 0.344) 1.645 19.607 ( 0.000 0.736 -6.052) 6.097 19.656 ( 0.000 -4.333 -1.573) 4.610 22.646 ( 0.000 -0.466 2.817) 2.855 23.093 ( 0.000 1.061 -5.971) 6.065 23.225 ( 0.000 -3.338 0.303) 3.352 23.363 ( 0.000 -2.929 -2.154) 3.636 24.101 ( 0.000 2.122 12.371) 12.552 25.271 ( 0.000 -1.677 -7.828) 8.006 26.502 ( 0.000 -0.271 4.806) 4.813 26.979 ( 0.000 -1.323 -2.978) 3.259 48.173 ( 0.000 0.261 1.920) 1.938 48.333 ( 0.000 -0.198 0.059) 0.207 48.342 ( 0.000 -0.701 -0.076) 0.705 48.417 ( 0.000 -1.299 -1.916) 2.314 97.569 ( 0.000 1.525 0.774) 1.711 97.679 ( 0.000 -3.971 -0.959) 4.085 98.165 ( 0.000 0.657 0.741) 0.990 98.216 ( 0.000 -1.067 0.014) 1.067 98.878 ( 0.000 -0.529 1.189) 1.302 99.277 ( 0.000 -0.323 -5.777) 5.786 102.723 ( 0.000 0.138 11.760) 11.761 103.908 ( 0.000 -0.188 -7.669) 7.671======================= Grid point 208 (78/168) =======================q-point: ( 0.00 -0.50 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 126Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.845 ( 0.000 0.000 0.543) 0.543 1.921 ( 0.000 0.000 -0.660) 0.660 1.959 ( 0.000 0.000 6.171) 6.171 2.085 ( 0.000 0.000 5.396) 5.396 2.496 ( 0.000 0.000 0.430) 0.430 2.543 ( 0.000 -0.000 -0.327) 0.327 2.576 ( 0.000 0.000 2.824) 2.824 2.673 ( 0.000 -0.000 8.338) 8.338 3.768 ( 0.000 0.000 1.608) 1.608 4.193 ( 0.000 0.000 -3.661) 3.661 4.672 ( 0.000 0.000 3.170) 3.170 4.819 ( 0.000 0.000 -2.931) 2.931 4.929 ( 0.000 0.000 0.087) 0.087 4.939 ( 0.000 0.000 -0.071) 0.071 5.321 ( 0.000 0.000 1.588) 1.588 5.842 ( 0.000 0.000 -4.825) 4.825 6.192 ( 0.000 0.000 -7.327) 7.327 6.600 ( 0.000 0.000 -16.639) 16.639 7.514 ( 0.000 0.000 0.053) 0.053 7.521 ( 0.000 0.000 -0.067) 0.067 8.270 ( 0.000 0.000 16.640) 16.640 8.873 ( 0.000 0.000 1.939) 1.939 9.113 ( 0.000 0.000 2.460) 2.460 9.340 ( 0.000 0.000 -1.878) 1.878 18.947 ( 0.000 0.000 4.488) 4.488 19.521 ( 0.000 0.000 -3.950) 3.950 19.993 ( 0.000 0.000 4.964) 4.964 20.410 ( 0.000 0.000 -0.802) 0.802 20.475 ( 0.000 0.000 -3.441) 3.441 20.756 ( 0.000 0.000 -8.670) 8.670 22.010 ( 0.000 0.000 7.396) 7.396 22.638 ( 0.000 0.000 -3.489) 3.489 23.779 ( 0.000 0.000 17.916) 17.916 25.403 ( 0.000 0.000 -9.723) 9.723 25.922 ( 0.000 0.000 0.100) 0.100 25.947 ( 0.000 0.000 -0.288) 0.288 47.931 ( 0.000 0.000 3.096) 3.096 48.414 ( 0.000 0.000 -5.090) 5.090 49.631 ( 0.000 0.000 5.439) 5.439 50.176 ( 0.000 0.000 -3.803) 3.803 97.394 ( 0.000 0.000 0.093) 0.093 97.406 ( 0.000 0.000 -0.093) 0.093 97.910 ( 0.000 0.000 3.684) 3.684 98.309 ( 0.000 0.000 -1.579) 1.579 99.193 ( 0.000 0.000 -3.901) 3.901 99.221 ( 0.000 -0.000 -3.703) 3.703 102.246 ( 0.000 0.000 15.650) 15.650 103.687 ( 0.000 0.000 -7.978) 7.978======================= Grid point 210 (79/168) =======================q-point: ( 0.08 -0.50 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 216Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.891 ( 0.611 0.000 3.566) 3.618 1.964 ( 3.631 0.000 2.987) 4.702 2.105 ( 13.877 0.000 2.329) 14.071 2.162 ( 9.527 0.000 1.963) 9.727 2.467 ( -2.401 -0.000 2.419) 3.408 2.514 ( 0.662 0.000 0.436) 0.793 2.734 ( 12.157 0.000 2.631) 12.438 2.764 ( 7.408 0.000 6.677) 9.973 3.747 ( -1.234 0.000 1.133) 1.676 4.151 ( -3.707 0.000 -3.470) 5.078 4.644 ( -2.420 0.000 2.346) 3.370 4.781 ( -3.091 0.000 -3.784) 4.886 4.947 ( 0.258 0.000 0.358) 0.442 4.969 ( 3.390 0.000 -0.031) 3.390 5.357 ( 3.562 0.000 2.021) 4.095 5.844 ( 0.291 0.000 -4.188) 4.198 6.118 ( -6.502 0.000 -6.399) 9.123 6.570 ( -2.957 0.000 -15.922) 16.195 7.609 ( 8.797 0.000 -0.216) 8.800 7.652 ( 11.780 0.000 -0.755) 11.805 8.252 ( -1.755 0.000 16.335) 16.429 8.857 ( -1.564 0.000 1.672) 2.289 9.056 ( -5.370 0.000 2.263) 5.827 9.275 ( -6.172 0.000 -1.776) 6.422 18.940 ( -0.711 0.000 4.598) 4.653 19.510 ( -1.018 0.000 -3.637) 3.776 19.940 ( -4.383 0.000 2.809) 5.206 20.315 ( -9.882 0.000 -5.104) 11.123 20.577 ( 15.457 0.000 1.273) 15.510 21.020 ( 19.795 0.000 -6.390) 20.801 22.148 ( 12.919 0.000 5.276) 13.955 22.686 ( 4.651 0.000 -3.222) 5.658 23.791 ( 1.252 0.000 17.758) 17.802 25.337 ( -4.917 0.000 -8.537) 9.852 25.992 ( 4.315 0.000 0.173) 4.319 26.055 ( 11.325 0.000 -1.173) 11.386 47.926 ( -0.433 0.000 3.089) 3.119 48.409 ( -0.451 0.000 -5.133) 5.153 49.551 ( -7.845 0.000 5.330) 9.484 50.074 ( -9.922 0.000 -3.596) 10.554 97.441 ( 3.253 0.000 -0.012) 3.253 97.456 ( 5.425 0.000 -0.308) 5.434 97.921 ( 1.345 0.000 3.522) 3.771 98.295 ( -1.341 0.000 -1.488) 2.003 99.163 ( -2.818 0.000 -3.411) 4.424 99.221 ( 0.041 -0.000 -3.901) 3.901 102.269 ( 2.289 0.000 15.362) 15.532 103.683 ( -0.159 0.000 -7.878) 7.879======================= Grid point 212 (80/168) =======================q-point: ( 0.17 -0.50 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 216Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.849 ( -3.374 0.000 6.428) 7.260 2.061 ( 5.507 0.000 4.077) 6.852 2.361 ( 6.679 0.000 -0.511) 6.699 2.409 ( -0.870 -0.000 2.415) 2.567 2.453 ( 16.953 -0.000 0.680) 16.967 2.591 ( 6.691 0.000 0.314) 6.698 2.884 ( 2.675 0.000 8.609) 9.015 3.061 ( 20.117 0.000 3.285) 20.383 3.768 ( 4.072 0.000 -1.048) 4.205 4.072 ( -3.481 0.000 -3.780) 5.139 4.585 ( -3.239 0.000 0.802) 3.337 4.717 ( -2.821 0.000 -6.093) 6.715 4.947 ( 0.128 0.000 2.162) 2.165 5.040 ( 3.135 0.000 -0.374) 3.158 5.456 ( 5.923 0.000 2.403) 6.392 5.861 ( 1.459 0.000 -3.063) 3.393 5.966 ( -7.841 0.000 -4.315) 8.950 6.487 ( -5.079 0.000 -14.155) 15.039 7.825 ( 11.391 0.000 -0.351) 11.397 7.937 ( 15.208 0.000 -1.701) 15.303 8.207 ( -2.449 0.000 15.383) 15.577 8.814 ( -2.652 0.000 0.851) 2.786 8.919 ( -7.493 0.000 1.703) 7.684 9.114 ( -9.091 0.000 -1.428) 9.202 18.920 ( -1.191 0.000 4.875) 5.018 19.485 ( -1.233 0.000 -3.043) 3.283 19.840 ( -5.225 0.000 0.935) 5.308 20.136 ( -7.967 0.000 -5.409) 9.630 20.990 ( 24.615 0.000 2.910) 24.786 21.476 ( 24.941 0.000 -4.859) 25.410 22.484 ( 19.076 0.000 0.841) 19.094 22.813 ( 7.570 0.000 -2.502) 7.972 23.834 ( 3.065 0.000 17.252) 17.522 25.253 ( -2.994 0.000 -7.695) 8.257 26.108 ( 6.838 0.000 1.300) 6.961 26.315 ( 13.585 0.000 -2.217) 13.765 47.917 ( -0.347 0.000 3.045) 3.064 48.397 ( -0.710 0.000 -5.250) 5.298 49.328 ( -13.780 0.000 5.038) 14.672 49.792 ( -17.545 0.000 -3.040) 17.807 97.521 ( 4.189 0.000 0.122) 4.191 97.568 ( 4.566 0.000 -0.643) 4.611 97.974 ( 4.051 0.000 2.689) 4.862 98.259 ( -2.064 0.000 -1.164) 2.369 99.088 ( -4.417 0.000 -2.192) 4.931 99.225 ( 0.346 0.000 -4.441) 4.455 102.339 ( 4.696 0.000 14.594) 15.331 103.692 ( 1.255 0.000 -7.708) 7.809======================= Grid point 214 (81/168) =======================q-point: ( 0.25 -0.50 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 216Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.787 ( -2.316 0.000 8.054) 8.381 2.154 ( 2.658 0.000 7.505) 7.962 2.390 ( 1.230 0.000 -1.760) 2.147 2.428 ( 0.577 -0.000 0.636) 0.859 2.720 ( 5.489 0.000 0.019) 5.489 2.794 ( 11.173 0.000 1.193) 11.236 2.880 ( 1.798 0.000 9.498) 9.667 3.490 ( 20.562 0.000 2.469) 20.709 3.866 ( 3.433 0.000 -2.161) 4.056 4.028 ( -0.941 0.000 -4.791) 4.883 4.522 ( -2.743 0.000 -1.343) 3.054 4.684 ( -0.339 0.000 -8.887) 8.893 4.970 ( 2.564 0.000 4.275) 4.985 5.086 ( 1.534 0.000 -0.035) 1.534 5.583 ( 6.516 0.000 2.398) 6.944 5.806 ( -6.951 0.000 -3.386) 7.732 5.915 ( 2.968 0.000 -0.800) 3.073 6.374 ( -5.860 0.000 -11.922) 13.285 8.017 ( 6.283 0.000 1.870) 6.555 8.168 ( -0.728 0.000 12.354) 12.376 8.227 ( 13.071 0.000 -2.202) 13.255 8.754 ( -3.242 0.000 -0.648) 3.306 8.788 ( -4.666 0.000 0.797) 4.733 8.938 ( -7.713 0.000 -0.584) 7.735 18.895 ( -1.256 0.000 5.217) 5.366 19.467 ( -0.355 0.000 -2.649) 2.673 19.738 ( -4.750 0.000 0.159) 4.753 19.985 ( -7.169 0.000 -5.168) 8.837 21.528 ( 27.721 0.000 3.295) 27.916 22.002 ( 26.607 0.000 -4.116) 26.924 22.864 ( 17.568 0.000 -2.765) 17.784 22.973 ( 7.823 0.000 -1.533) 7.972 23.914 ( 4.687 0.000 16.209) 16.873 25.219 ( -0.449 0.000 -7.475) 7.489 26.252 ( 7.079 0.000 2.597) 7.541 26.577 ( 12.004 0.000 -2.661) 12.295 47.919 ( 0.698 0.000 2.898) 2.981 48.382 ( -0.747 0.000 -5.382) 5.434 49.019 ( -16.232 0.000 4.626) 16.878 49.393 ( -21.393 0.000 -2.256) 21.512 97.592 ( 2.569 0.000 0.119) 2.572 97.622 ( 1.061 0.000 -0.251) 1.090 98.071 ( 4.917 0.000 1.330) 5.093 98.219 ( -1.775 0.000 -0.560) 1.861 98.998 ( -4.226 0.000 -0.813) 4.303 99.236 ( 0.769 0.000 -5.116) 5.173 102.453 ( 6.379 0.000 13.587) 15.010 103.738 ( 3.223 0.000 -7.625) 8.278======================= Grid point 216 (82/168) =======================q-point: ( 0.33 -0.50 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 216Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.767 ( 0.427 0.000 9.505) 9.514 2.163 ( -0.802 0.000 8.881) 8.917 2.385 ( -4.583 0.000 3.583) 5.818 2.438 ( 1.559 0.000 1.215) 1.977 2.808 ( 1.056 -0.000 7.250) 7.326 2.832 ( 5.960 0.000 -2.311) 6.392 3.094 ( 9.729 0.000 -3.131) 10.220 3.827 ( 11.509 -0.000 0.244) 11.512 3.866 ( -2.810 0.000 0.436) 2.844 4.020 ( 0.180 0.000 -3.187) 3.192 4.486 ( -0.576 0.000 -4.837) 4.871 4.689 ( 0.350 0.000 -10.544) 10.550 5.048 ( 4.475 0.000 5.035) 6.736 5.109 ( 0.932 0.000 1.217) 1.533 5.683 ( -5.052 0.000 -1.056) 5.161 5.716 ( 6.529 0.000 2.073) 6.850 5.982 ( 3.280 0.000 -0.613) 3.337 6.260 ( -5.263 0.000 -9.847) 11.166 8.059 ( -0.550 0.000 9.049) 9.066 8.183 ( 0.908 0.000 4.809) 4.894 8.449 ( 8.696 0.000 -2.608) 9.078 8.688 ( -2.932 -0.000 -2.203) 3.667 8.749 ( 0.639 0.000 -0.237) 0.682 8.819 ( -4.086 0.000 0.561) 4.124 18.872 ( -0.945 0.000 5.543) 5.623 19.476 ( 1.238 0.000 -2.542) 2.828 19.654 ( -3.497 0.000 -0.213) 3.503 19.844 ( -6.839 0.000 -4.694) 8.295 22.064 ( 24.556 0.000 3.183) 24.761 22.517 ( 23.767 0.000 -4.131) 24.123 23.110 ( 5.404 0.000 -0.565) 5.434 23.160 ( 11.400 0.000 -4.096) 12.113 24.012 ( 4.772 0.000 14.501) 15.266 25.226 ( 0.861 0.000 -7.475) 7.525 26.382 ( 5.553 0.000 3.691) 6.668 26.787 ( 8.656 0.000 -2.851) 9.113 47.954 ( 3.022 0.000 2.566) 3.964 48.368 ( -0.685 0.000 -5.331) 5.375 48.704 ( -14.281 0.000 4.048) 14.843 48.958 ( -21.061 0.000 -1.338) 21.103 97.621 ( 0.386 -0.000 -0.004) 0.386 97.626 ( -0.365 0.000 -0.034) 0.367 98.152 ( 2.934 0.000 0.555) 2.986 98.192 ( -0.954 -0.000 0.118) 0.961 98.926 ( -2.823 0.000 0.270) 2.836 99.253 ( 0.863 0.000 -5.622) 5.688 102.583 ( 6.146 0.000 12.635) 14.050 103.812 ( 3.855 0.000 -7.618) 8.538======================= Grid point 218 (83/168) =======================q-point: ( 0.42 -0.50 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 216Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.800 ( 2.477 0.000 10.661) 10.945 2.149 ( -0.396 0.000 7.357) 7.368 2.273 ( -5.635 -0.000 5.477) 7.858 2.423 ( -2.044 0.000 12.032) 12.204 2.905 ( 7.368 0.000 -2.403) 7.750 2.950 ( 5.123 0.000 -4.825) 7.037 3.199 ( 0.497 0.000 -7.145) 7.163 3.799 ( -2.756 0.000 5.352) 6.020 3.909 ( -1.199 0.000 -4.247) 4.414 4.066 ( 3.020 0.000 2.041) 3.645 4.500 ( 1.570 0.000 -7.744) 7.901 4.690 ( -0.104 0.000 -11.150) 11.150 5.123 ( 2.596 0.000 5.234) 5.842 5.126 ( 0.665 -0.000 2.160) 2.260 5.607 ( -2.437 0.000 0.732) 2.545 5.836 ( 5.002 0.000 1.782) 5.310 6.037 ( 1.982 -0.000 -0.624) 2.078 6.169 ( -3.648 0.000 -8.691) 9.426 8.042 ( -0.700 0.000 10.200) 10.224 8.186 ( -0.239 0.000 3.285) 3.294 8.570 ( 3.120 0.000 -4.761) 5.692 8.652 ( -0.194 0.000 -0.631) 0.660 8.764 ( -1.708 0.000 0.663) 1.832 8.783 ( 1.867 0.000 -0.756) 2.014 18.858 ( -0.475 0.000 5.780) 5.799 19.519 ( 3.047 0.000 -2.552) 3.975 19.600 ( -1.836 0.000 -0.437) 1.888 19.713 ( -6.088 0.000 -4.276) 7.440 22.477 ( 15.416 0.000 2.973) 15.700 22.925 ( 15.850 0.000 -4.893) 16.588 23.181 ( 1.640 0.000 0.165) 1.648 23.312 ( 3.663 0.000 -3.432) 5.019 24.092 ( 2.904 0.000 12.746) 13.072 25.245 ( 0.829 0.000 -7.525) 7.571 26.469 ( 2.995 0.000 4.393) 5.317 26.920 ( 4.485 0.000 -2.931) 5.358 48.049 ( 6.525 0.000 2.027) 6.832 48.353 ( -0.994 0.000 -3.949) 4.073 48.474 ( -7.774 0.000 2.290) 8.105 48.569 ( -17.017 0.000 -0.393) 17.021 97.616 ( -0.442 -0.000 -0.045) 0.444 97.617 ( -0.424 0.000 -0.076) 0.431 98.179 ( -0.374 0.000 0.550) 0.665 98.191 ( 1.088 -0.000 0.274) 1.121 98.885 ( -1.267 0.000 0.912) 1.561 99.268 ( 0.528 0.000 -5.847) 5.871 102.686 ( 3.738 0.000 11.983) 12.552 103.879 ( 2.548 0.000 -7.627) 8.042======================= Grid point 220 (84/168) =======================q-point: (-0.50 -0.50 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 126Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.834 ( 0.000 0.000 11.291) 11.291 2.146 ( 0.000 0.000 6.251) 6.251 2.205 ( 0.000 0.000 5.800) 5.800 2.397 ( 0.000 0.000 15.924) 15.924 3.007 ( 0.000 0.000 -5.942) 5.942 3.019 ( 0.000 -0.000 -6.466) 6.466 3.165 ( 0.000 0.000 -8.006) 8.006 3.773 ( 0.000 0.000 7.738) 7.738 3.886 ( 0.000 0.000 -3.662) 3.662 4.094 ( 0.000 0.000 1.650) 1.650 4.522 ( 0.000 0.000 -8.342) 8.342 4.689 ( 0.000 0.000 -11.432) 11.432 5.133 ( 0.000 0.000 2.373) 2.373 5.149 ( 0.000 0.000 5.428) 5.428 5.583 ( 0.000 0.000 1.483) 1.483 5.893 ( 0.000 0.000 2.060) 2.060 6.057 ( 0.000 0.000 -0.667) 0.667 6.127 ( 0.000 0.000 -8.745) 8.745 8.035 ( 0.000 0.000 10.201) 10.201 8.183 ( 0.000 0.000 3.090) 3.090 8.591 ( 0.000 0.000 -6.553) 6.553 8.663 ( 0.000 0.000 1.355) 1.355 8.746 ( 0.000 0.000 0.312) 0.312 8.804 ( 0.000 0.000 -0.865) 0.865 18.853 ( 0.000 0.000 5.868) 5.868 19.581 ( 0.000 0.000 -0.520) 0.520 19.586 ( -0.000 -0.000 -0.602) 0.602 19.614 ( 0.000 0.000 -6.079) 6.079 22.642 ( 0.000 0.000 2.880) 2.880 23.104 ( 0.000 0.000 -6.111) 6.111 23.192 ( 0.000 0.000 0.437) 0.437 23.334 ( 0.000 0.000 -2.094) 2.094 24.122 ( 0.000 0.000 12.009) 12.009 25.254 ( 0.000 0.000 -7.549) 7.549 26.499 ( 0.000 0.000 4.633) 4.633 26.966 ( 0.000 0.000 -2.954) 2.954 48.176 ( 0.000 0.000 1.789) 1.789 48.333 ( 0.000 -0.000 -0.004) 0.004 48.333 ( -0.000 0.000 -0.011) 0.011 48.403 ( 0.000 0.000 -1.791) 1.791 97.611 ( 0.000 -0.000 -0.074) 0.074 97.612 ( 0.000 0.000 -0.086) 0.086 98.175 ( 0.000 0.000 0.680) 0.680 98.201 ( 0.000 0.000 0.205) 0.205 98.873 ( 0.000 0.000 1.122) 1.122 99.273 ( 0.000 0.000 -5.897) 5.897 102.725 ( 0.000 0.000 11.755) 11.755 103.906 ( 0.000 0.000 -7.631) 7.631======================= Grid point 286 (85/168) =======================q-point: ( 0.00 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.656 ( 0.000 0.000 16.099) 16.099 1.076 ( 0.000 0.000 26.054) 26.054 1.190 ( 0.000 0.000 -10.961) 10.961 1.745 ( 0.000 0.000 22.312) 22.312 2.053 ( 0.000 0.000 4.728) 4.728 2.925 ( 0.000 0.000 4.239) 4.239 3.079 ( 0.000 0.000 -3.175) 3.175 3.233 ( 0.000 0.000 -24.458) 24.458 3.781 ( 0.000 0.000 7.850) 7.850 4.221 ( 0.000 0.000 -13.821) 13.821 4.478 ( 0.000 0.000 9.131) 9.131 4.824 ( 0.000 0.000 -6.244) 6.244 4.933 ( 0.000 0.000 0.191) 0.191 4.942 ( 0.000 0.000 -0.220) 0.220 5.525 ( 0.000 0.000 1.067) 1.067 5.765 ( 0.000 0.000 -8.966) 8.966 6.518 ( 0.000 0.000 9.245) 9.245 6.678 ( 0.000 0.000 1.493) 1.493 7.512 ( 0.000 0.000 0.546) 0.546 7.535 ( 0.000 0.000 -0.543) 0.543 8.746 ( 0.000 0.000 -0.402) 0.402 8.796 ( 0.000 0.000 -1.553) 1.553 9.073 ( 0.000 0.000 3.611) 3.611 9.172 ( 0.000 0.000 -1.949) 1.949 19.113 ( 0.000 0.000 8.142) 8.142 19.491 ( 0.000 0.000 -9.858) 9.858 20.390 ( 0.000 0.000 0.096) 0.096 20.412 ( 0.000 0.000 -0.739) 0.739 20.714 ( 0.000 0.000 2.661) 2.661 20.844 ( 0.000 0.000 -3.538) 3.538 22.120 ( 0.000 0.000 9.550) 9.550 22.467 ( 0.000 0.000 -7.163) 7.163 25.097 ( 0.000 0.000 10.615) 10.615 25.528 ( 0.000 0.000 -9.802) 9.802 25.816 ( 0.000 0.000 0.239) 0.239 25.827 ( 0.000 0.000 -0.266) 0.266 48.014 ( 0.000 0.000 6.899) 6.899 48.338 ( 0.000 0.000 -8.691) 8.691 49.739 ( 0.000 0.000 6.092) 6.092 49.951 ( 0.000 0.000 -4.242) 4.242 97.379 ( 0.000 0.000 0.124) 0.124 97.385 ( 0.000 0.000 -0.125) 0.125 97.744 ( 0.000 0.000 2.529) 2.529 97.873 ( 0.000 0.000 -3.753) 3.753 99.710 ( 0.000 0.000 15.881) 15.881 100.498 ( 0.000 0.000 -23.855) 23.855 102.666 ( 0.000 0.000 22.616) 22.616 103.380 ( 0.000 0.000 -13.407) 13.407======================= Grid point 287 (86/168) =======================q-point: ( 0.08 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 216Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.006 ( 25.619 0.000 10.687) 27.759 1.131 ( 8.438 0.000 18.295) 20.147 1.480 ( 22.472 0.000 -4.410) 22.901 1.843 ( 10.405 0.000 18.679) 21.382 2.070 ( 2.230 0.000 6.400) 6.777 2.992 ( 4.933 0.000 0.704) 4.983 3.231 ( 12.985 0.000 -4.008) 13.590 3.272 ( 5.110 0.000 -19.118) 19.790 3.745 ( -3.015 0.000 9.069) 9.557 4.199 ( -2.009 0.000 -13.456) 13.605 4.383 ( -7.161 0.000 9.194) 11.653 4.734 ( -6.448 0.000 -6.433) 9.108 4.982 ( 2.284 0.000 0.250) 2.298 5.035 ( 6.484 0.000 -3.274) 7.264 5.538 ( 1.393 0.000 1.198) 1.837 5.765 ( 0.190 0.000 -7.766) 7.768 6.409 ( -9.109 0.000 7.438) 11.760 6.518 ( -11.640 0.000 2.029) 11.815 7.657 ( 12.338 0.000 0.768) 12.362 7.696 ( 11.594 0.000 -1.726) 11.722 8.710 ( -3.221 0.000 1.287) 3.469 8.791 ( -0.436 0.000 -1.820) 1.872 9.021 ( -4.524 0.000 4.935) 6.695 9.127 ( -4.286 0.000 -1.676) 4.602 19.099 ( -1.310 0.000 8.281) 8.383 19.485 ( -0.648 0.000 -10.152) 10.173 20.299 ( -9.409 0.000 0.612) 9.429 20.309 ( -8.995 0.000 0.778) 9.029 20.852 ( 7.634 0.000 2.824) 8.140 20.867 ( 13.961 0.000 0.449) 13.968 22.450 ( 24.923 0.000 -2.936) 25.096 22.588 ( 11.112 0.000 -5.324) 12.321 24.863 ( -16.557 0.000 15.375) 22.594 25.371 ( -9.791 0.000 -10.295) 14.207 25.987 ( 11.809 0.000 1.622) 11.920 26.036 ( 14.880 0.000 -1.197) 14.929 48.013 ( -0.091 0.000 6.873) 6.874 48.333 ( -0.344 0.000 -8.458) 8.465 49.651 ( -8.290 0.000 6.235) 10.373 49.862 ( -8.701 0.000 -4.117) 9.626 97.446 ( 5.583 0.000 1.293) 5.730 97.594 ( 16.567 0.000 -9.094) 18.899 97.757 ( 2.152 0.000 1.879) 2.857 97.876 ( 0.378 0.000 -3.532) 3.552 99.642 ( -6.414 0.000 14.427) 15.789 100.298 ( -17.633 0.000 -16.077) 23.862 102.631 ( -1.642 0.000 25.363) 25.416 103.392 ( 1.349 0.000 -13.894) 13.959======================= Grid point 288 (87/168) =======================q-point: ( 0.17 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 228Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.389 ( 15.996 0.000 14.323) 21.472 1.447 ( 16.610 0.000 13.494) 21.400 1.961 ( 23.097 0.000 -4.926) 23.616 2.105 ( 8.729 0.000 -9.490) 12.895 2.246 ( 21.353 0.000 24.446) 32.459 3.061 ( 2.380 0.000 -6.599) 7.015 3.471 ( 13.376 0.000 -6.732) 14.975 3.484 ( 7.720 0.000 3.093) 8.316 3.713 ( 3.054 0.000 4.429) 5.380 4.145 ( -3.284 0.000 -12.421) 12.848 4.243 ( -6.219 0.000 7.548) 9.780 4.603 ( -6.163 0.000 -8.057) 10.144 4.996 ( -0.714 0.000 1.873) 2.005 5.136 ( 3.235 0.000 -5.934) 6.758 5.581 ( 2.623 0.000 1.410) 2.978 5.782 ( 1.520 0.000 -5.354) 5.565 6.215 ( -9.191 0.000 4.690) 10.318 6.305 ( -9.067 0.000 -1.521) 9.194 7.901 ( 8.214 0.000 0.576) 8.234 7.929 ( 13.308 0.000 -0.560) 13.320 8.628 ( -4.798 0.000 3.730) 6.077 8.779 ( -0.883 0.000 -2.935) 3.065 8.920 ( -4.912 0.000 5.902) 7.679 9.019 ( -5.687 0.000 -0.649) 5.724 19.065 ( -1.974 0.000 8.629) 8.852 19.463 ( -1.436 0.000 -10.289) 10.389 20.084 ( -11.074 0.000 1.235) 11.143 20.114 ( -8.699 0.000 0.397) 8.708 21.172 ( 22.050 0.000 3.016) 22.256 21.243 ( 22.661 0.000 -0.892) 22.678 22.864 ( 15.133 0.000 -2.315) 15.309 22.927 ( 20.903 0.000 -9.147) 22.817 24.576 ( -11.039 0.000 18.790) 21.792 25.211 ( -5.798 0.000 -12.946) 14.185 26.208 ( 10.053 0.000 5.449) 11.435 26.340 ( 14.703 0.000 -1.963) 14.833 48.013 ( 0.157 0.000 6.791) 6.792 48.328 ( -0.104 0.000 -8.344) 8.344 49.425 ( -13.664 0.000 5.707) 14.808 49.615 ( -15.341 0.000 -3.624) 15.763 97.573 ( 5.897 0.000 3.679) 6.950 97.740 ( 1.328 0.000 -0.358) 1.376 97.900 ( 2.474 0.000 -2.534) 3.541 97.986 ( 15.108 0.000 -15.262) 21.475 99.472 ( -9.862 0.000 11.087) 14.839 99.897 ( -20.021 0.000 -6.301) 20.989 102.649 ( 3.504 0.000 24.788) 25.034 103.437 ( 3.170 0.000 -14.684) 15.022======================= Grid point 289 (88/168) =======================q-point: ( 0.25 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 216Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.717 ( 11.513 0.000 15.921) 19.648 1.738 ( 17.987 0.000 9.865) 20.515 2.274 ( 9.425 0.000 -5.279) 10.802 2.347 ( 14.463 0.000 -7.046) 16.088 2.739 ( 22.981 0.000 11.941) 25.898 3.128 ( 4.590 0.000 -2.833) 5.394 3.485 ( -3.354 0.000 13.599) 14.007 3.726 ( 9.794 0.000 -2.934) 10.224 3.873 ( 6.912 0.000 -3.104) 7.577 4.076 ( -2.949 0.000 -11.138) 11.522 4.167 ( 0.491 0.000 4.948) 4.973 4.504 ( -3.230 0.000 -8.760) 9.336 4.974 ( -0.791 0.000 3.243) 3.338 5.175 ( 1.133 0.000 -6.865) 6.958 5.622 ( 0.786 0.000 2.078) 2.222 5.818 ( 1.728 0.000 -2.777) 3.270 6.060 ( -5.792 0.000 2.019) 6.133 6.148 ( -6.679 0.000 -6.290) 9.175 8.027 ( 4.348 0.000 4.170) 6.024 8.159 ( 9.090 0.000 -2.948) 9.556 8.522 ( -5.449 0.000 5.620) 7.828 8.750 ( -1.902 0.000 -5.017) 5.365 8.841 ( -2.776 0.000 5.725) 6.363 8.930 ( -2.623 0.000 0.839) 2.754 19.025 ( -1.830 0.000 9.021) 9.205 19.432 ( -1.569 0.000 -10.117) 10.238 19.875 ( -9.364 0.000 2.134) 9.604 19.972 ( -5.545 0.000 -2.506) 6.085 21.679 ( 27.079 0.000 2.131) 27.162 21.746 ( 26.328 0.000 -1.162) 26.354 23.159 ( 13.441 0.000 -0.495) 13.450 23.277 ( 13.944 0.000 -8.141) 16.147 24.414 ( -5.526 0.000 19.722) 20.481 25.136 ( -1.957 0.000 -15.328) 15.453 26.395 ( 8.573 0.000 7.954) 11.694 26.614 ( 12.275 0.000 -3.387) 12.734 48.023 ( 0.987 0.000 6.569) 6.643 48.329 ( 0.213 0.000 -8.244) 8.247 49.122 ( -15.828 0.000 4.555) 16.470 49.266 ( -18.600 0.000 -2.647) 18.787 97.648 ( 1.507 0.000 4.036) 4.308 97.764 ( 1.276 0.000 -0.602) 1.411 97.985 ( 5.602 0.000 -0.050) 5.602 98.216 ( 7.442 0.000 -14.803) 16.569 99.271 ( -9.499 0.000 7.708) 12.233 99.542 ( -14.614 0.000 -3.129) 14.945 102.753 ( 6.202 0.000 22.106) 22.960 103.516 ( 4.464 0.000 -15.052) 15.700======================= Grid point 290 (89/168) =======================q-point: ( 0.33 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 228Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.936 ( 10.357 0.000 13.636) 17.123 2.087 ( 15.889 0.000 5.223) 16.725 2.483 ( 10.977 0.000 -2.289) 11.213 2.564 ( 8.626 0.000 -6.677) 10.908 3.046 ( 5.447 0.000 9.642) 11.075 3.216 ( 2.691 0.000 1.200) 2.946 3.447 ( 0.230 0.000 11.671) 11.674 3.781 ( -4.408 0.000 -2.434) 5.036 3.930 ( 2.131 0.000 -0.197) 2.140 4.090 ( 5.011 0.000 -9.640) 10.865 4.268 ( 6.751 0.000 0.005) 6.751 4.468 ( -1.044 0.000 -6.974) 7.052 4.987 ( 2.353 0.000 3.345) 4.089 5.200 ( 1.662 0.000 -6.802) 7.002 5.596 ( -3.265 0.000 3.506) 4.791 5.844 ( 0.877 0.000 -0.570) 1.046 5.990 ( -1.433 0.000 -0.593) 1.551 6.029 ( -5.326 0.000 -10.023) 11.350 8.079 ( 0.913 0.000 6.456) 6.520 8.284 ( 3.323 0.000 -4.818) 5.853 8.429 ( -3.301 0.000 8.338) 8.968 8.727 ( 0.392 0.000 -5.690) 5.703 8.803 ( -1.153 0.000 4.827) 4.963 8.906 ( -0.442 0.000 0.170) 0.474 18.994 ( -1.210 0.000 9.311) 9.389 19.404 ( -1.117 0.000 -9.954) 10.016 19.715 ( -6.486 0.000 3.285) 7.270 19.883 ( -3.395 0.000 -4.910) 5.970 22.217 ( 25.256 0.000 1.153) 25.283 22.263 ( 23.939 0.000 -0.963) 23.958 23.385 ( 8.665 0.000 0.056) 8.665 23.491 ( 7.389 0.000 -5.975) 9.503 24.336 ( -2.599 0.000 20.568) 20.731 25.120 ( 0.082 0.000 -17.018) 17.018 26.550 ( 6.595 0.000 9.010) 11.166 26.828 ( 8.795 0.000 -4.789) 10.015 48.058 ( 2.642 0.000 6.037) 6.590 48.337 ( 0.623 0.000 -7.577) 7.602 48.813 ( -14.276 0.000 2.874) 14.563 48.891 ( -18.067 0.000 -1.251) 18.110 97.653 ( -0.601 0.000 4.107) 4.151 97.794 ( 1.688 0.000 -2.138) 2.724 98.095 ( 4.650 0.000 1.336) 4.839 98.292 ( 0.493 0.000 -9.602) 9.615 99.107 ( -6.445 0.000 5.410) 8.414 99.319 ( -7.572 0.000 -3.983) 8.556 102.878 ( 5.778 0.000 20.000) 20.817 103.607 ( 4.273 0.000 -15.055) 15.650======================= Grid point 291 (90/168) =======================q-point: ( 0.42 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 216Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.122 ( 7.541 0.000 10.352) 12.807 2.340 ( 8.393 0.000 0.104) 8.394 2.697 ( 9.572 0.000 0.891) 9.613 2.754 ( 10.966 0.000 -2.363) 11.218 3.023 ( -4.464 0.000 12.756) 13.515 3.196 ( -4.942 0.000 1.306) 5.112 3.425 ( -3.197 0.000 5.694) 6.530 3.649 ( -6.470 0.000 -2.812) 7.055 4.027 ( 6.025 0.000 0.379) 6.037 4.221 ( 6.922 0.000 -6.391) 9.422 4.373 ( 3.329 0.000 -2.442) 4.129 4.434 ( -2.733 0.000 -5.603) 6.234 5.057 ( 3.919 0.000 2.710) 4.765 5.241 ( 2.097 0.000 -5.724) 6.096 5.513 ( -4.160 0.000 4.594) 6.198 5.857 ( 0.525 0.000 -0.218) 0.568 5.933 ( -3.967 0.000 -11.447) 12.115 5.982 ( 0.163 0.000 -2.069) 2.076 8.074 ( -0.865 0.000 7.008) 7.061 8.312 ( 0.173 0.000 -5.775) 5.777 8.393 ( -0.555 0.000 11.772) 11.785 8.767 ( 2.996 0.000 -5.706) 6.444 8.788 ( -0.487 0.000 3.639) 3.672 8.892 ( -1.190 0.000 -1.254) 1.729 18.977 ( -0.543 0.000 9.459) 9.474 19.388 ( -0.523 0.000 -9.879) 9.893 19.616 ( -3.288 0.000 4.172) 5.312 19.832 ( -1.667 0.000 -6.293) 6.510 22.650 ( 16.475 0.000 0.117) 16.476 22.667 ( 15.113 0.000 -0.541) 15.123 23.503 ( 3.220 0.000 -0.113) 3.222 23.580 ( 1.799 0.000 -4.365) 4.722 24.300 ( -1.096 0.000 21.605) 21.633 25.128 ( 0.482 0.000 -18.025) 18.031 26.654 ( 3.622 0.000 9.350) 10.027 26.963 ( 4.588 0.000 -5.713) 7.328 48.136 ( 5.234 0.000 5.141) 7.336 48.357 ( 1.543 0.000 -5.444) 5.659 48.561 ( -14.240 0.000 0.309) 14.243 48.569 ( -9.532 0.000 0.045) 9.532 97.638 ( -0.681 0.000 4.620) 4.670 97.828 ( 1.559 0.000 -4.158) 4.441 98.162 ( 2.021 0.000 1.174) 2.337 98.266 ( -2.140 0.000 -4.232) 4.742 99.015 ( -2.807 0.000 4.364) 5.189 99.223 ( -2.535 0.000 -5.605) 6.152 102.973 ( 3.363 0.000 18.811) 19.109 103.678 ( 2.576 0.000 -14.960) 15.181======================= Grid point 292 (91/168) =======================q-point: (-0.50 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 132Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.206 ( 0.000 0.000 8.625) 8.625 2.421 ( 0.000 0.000 -1.713) 1.713 2.819 ( 0.000 0.000 2.737) 2.737 2.948 ( 0.000 0.000 -3.181) 3.181 2.954 ( 0.000 0.000 13.630) 13.630 3.066 ( 0.000 0.000 4.113) 4.113 3.376 ( 0.000 0.000 3.902) 3.902 3.577 ( 0.000 0.000 -3.394) 3.394 4.098 ( 0.000 0.000 0.150) 0.150 4.332 ( 0.000 0.000 -0.080) 0.080 4.368 ( 0.000 0.000 -10.143) 10.143 4.405 ( 0.000 0.000 -3.456) 3.456 5.106 ( 0.000 0.000 2.340) 2.340 5.266 ( 0.000 0.000 -4.829) 4.829 5.463 ( 0.000 0.000 5.079) 5.079 5.871 ( 0.000 0.000 2.476) 2.476 5.881 ( -0.000 0.000 -14.740) 14.740 5.985 ( 0.000 0.000 -2.493) 2.493 8.063 ( 0.000 0.000 7.092) 7.092 8.312 ( 0.000 0.000 -6.056) 6.056 8.390 ( 0.000 0.000 13.318) 13.318 8.783 ( 0.000 0.000 3.032) 3.032 8.813 ( 0.000 0.000 -6.488) 6.488 8.867 ( -0.000 0.000 -1.074) 1.074 18.971 ( 0.000 0.000 9.499) 9.499 19.383 ( 0.000 0.000 -9.860) 9.860 19.583 ( 0.000 0.000 4.497) 4.497 19.816 ( 0.000 0.000 -6.735) 6.735 22.827 ( 0.000 0.000 -0.471) 0.471 22.828 ( 0.000 0.000 -0.266) 0.266 23.531 ( 0.000 0.000 -0.337) 0.337 23.591 ( 0.000 0.000 -3.655) 3.655 24.289 ( 0.000 0.000 22.079) 22.079 25.133 ( 0.000 0.000 -18.362) 18.362 26.691 ( 0.000 0.000 9.417) 9.417 27.010 ( 0.000 0.000 -6.026) 6.026 48.238 ( 0.000 0.000 5.060) 5.060 48.366 ( 0.000 0.000 0.636) 0.636 48.393 ( 0.000 0.000 -0.665) 0.665 48.450 ( 0.000 0.000 -4.982) 4.982 97.630 ( 0.000 0.000 4.880) 4.880 97.846 ( 0.000 0.000 -5.352) 5.352 98.181 ( 0.000 0.000 0.898) 0.898 98.239 ( 0.000 0.000 -1.873) 1.873 98.988 ( 0.000 0.000 4.119) 4.119 99.199 ( 0.000 0.000 -6.192) 6.192 103.007 ( 0.000 0.000 18.435) 18.435 103.705 ( 0.000 0.000 -14.916) 14.916======================= Grid point 299 (92/168) =======================q-point: ( 0.00 0.10 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 210Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.795 ( 0.000 12.872 12.616) 18.024 1.091 ( 0.000 3.277 22.475) 22.712 1.252 ( 0.000 6.122 -9.859) 11.605 1.794 ( 0.000 0.203 -2.727) 2.735 2.126 ( 0.000 11.514 26.290) 28.701 2.897 ( 0.000 -2.801 4.048) 4.923 3.045 ( 0.000 -3.437 -3.062) 4.603 3.274 ( 0.000 3.374 -20.212) 20.492 3.719 ( 0.000 -5.573 10.655) 12.025 4.233 ( 0.000 -1.136 -15.268) 15.310 4.471 ( 0.000 1.836 8.642) 8.835 4.927 ( 0.000 7.909 -12.589) 14.867 4.934 ( 0.000 0.045 0.170) 0.176 4.941 ( 0.000 -0.057 -0.190) 0.198 5.504 ( 0.000 -2.087 1.765) 2.733 5.745 ( 0.000 -1.981 -8.662) 8.886 6.454 ( 0.000 -5.884 8.099) 10.011 6.652 ( 0.000 -2.922 -0.694) 3.004 7.513 ( 0.000 0.061 0.488) 0.492 7.533 ( 0.000 -0.179 -0.487) 0.519 8.676 ( 0.000 -4.812 5.305) 7.162 8.821 ( 0.000 1.512 -1.558) 2.171 9.068 ( 0.000 0.392 5.250) 5.264 9.214 ( 0.000 2.762 -4.069) 4.918 19.109 ( 0.000 -0.420 8.132) 8.143 19.483 ( 0.000 -0.782 -9.636) 9.668 20.388 ( 0.000 -0.211 0.019) 0.212 20.413 ( 0.000 0.090 -0.970) 0.974 20.613 ( 0.000 -9.073 5.970) 10.860 20.804 ( 0.000 -3.632 -4.263) 5.600 22.127 ( 0.000 0.702 9.629) 9.654 22.475 ( 0.000 0.758 -7.130) 7.170 24.842 ( 0.000 -19.616 22.937) 30.181 25.504 ( 0.000 -3.724 -13.195) 13.711 25.825 ( 0.000 0.947 0.284) 0.989 25.838 ( 0.000 1.133 -0.327) 1.179 48.017 ( 0.000 0.198 6.626) 6.629 48.330 ( 0.000 -0.642 -8.307) 8.332 49.737 ( 0.000 0.068 6.816) 6.816 49.991 ( 0.000 3.062 -6.281) 6.987 97.381 ( 0.000 0.163 0.128) 0.207 97.386 ( 0.000 0.179 -0.128) 0.220 97.764 ( 0.000 2.048 3.004) 3.636 97.937 ( 0.000 5.845 -6.371) 8.646 99.614 ( 0.000 -9.009 14.672) 17.217 100.262 ( 0.000 -20.391 -14.945) 25.281 102.588 ( 0.000 -4.291 27.745) 28.075 103.450 ( 0.000 4.188 -17.415) 17.911======================= Grid point 300 (93/168) =======================q-point: ( 0.08 0.10 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 360Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.069 ( 18.917 5.543 12.897) 23.556 1.186 ( 12.073 6.775 15.369) 20.685 1.505 ( 20.887 3.717 -5.315) 21.871 1.876 ( 8.038 -1.384 -6.505) 10.433 2.160 ( 4.489 12.639 27.086) 30.225 2.970 ( 5.567 -2.392 1.893) 6.348 3.190 ( 12.515 -3.870 -3.957) 13.684 3.306 ( 4.323 2.604 -16.099) 16.871 3.689 ( -2.672 -5.286 10.872) 12.381 4.193 ( -3.626 -2.097 -13.094) 13.748 4.405 ( -5.241 3.448 6.462) 9.006 4.769 ( -7.972 2.684 -6.999) 10.942 4.982 ( 2.601 -0.022 0.444) 2.638 5.070 ( 5.566 3.150 -6.048) 8.802 5.516 ( 1.430 -2.177 1.796) 3.163 5.740 ( -0.143 -2.234 -7.344) 7.678 6.359 ( -8.079 -4.684 6.650) 11.464 6.508 ( -10.569 -1.203 -0.180) 10.639 7.647 ( 11.195 -0.756 0.719) 11.243 7.696 ( 12.623 -0.212 -2.062) 12.792 8.651 ( -2.260 -4.303 5.720) 7.506 8.813 ( -0.723 1.455 -1.845) 2.458 9.021 ( -4.311 0.433 5.612) 7.090 9.158 ( -5.158 2.247 -3.076) 6.413 19.096 ( -1.224 -0.326 8.266) 8.362 19.477 ( -0.630 -0.778 -9.842) 9.893 20.269 ( -10.014 -2.837 1.615) 10.533 20.296 ( -9.054 -1.345 -0.243) 9.157 20.778 ( 13.570 -4.401 4.489) 14.956 20.904 ( 12.423 1.016 -1.968) 12.619 22.411 ( 22.580 -3.394 -0.062) 22.834 22.587 ( 10.454 -0.045 -5.544) 11.833 24.705 ( -10.594 -13.116 22.364) 28.007 25.351 ( -9.597 -2.332 -11.878) 15.448 25.955 ( 10.461 -1.572 2.420) 10.852 26.042 ( 14.592 -0.177 -2.378) 14.786 48.015 ( -0.175 0.128 6.652) 6.656 48.327 ( -0.281 -0.576 -8.227) 8.252 49.653 ( -8.101 0.244 6.653) 10.486 49.893 ( -9.358 2.582 -5.490) 11.152 97.444 ( 5.242 -0.179 1.117) 5.363 97.553 ( 13.507 -3.035 -5.703) 14.972 97.776 ( 1.545 2.028 2.794) 3.783 97.952 ( 1.853 6.309 -7.259) 9.794 99.556 ( -5.503 -8.106 13.373) 16.578 100.113 ( -13.434 -16.353 -10.833) 23.775 102.591 ( 0.892 -2.288 27.257) 27.367 103.440 ( -0.401 3.190 -16.276) 16.590======================= Grid point 301 (94/168) =======================q-point: ( 0.17 0.10 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 360Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.388 ( 15.864 0.641 14.418) 21.447 1.513 ( 14.673 6.298 13.685) 21.030 1.967 ( 22.347 1.749 -4.880) 22.941 2.070 ( 9.894 -2.944 -9.386) 13.952 2.387 ( 18.881 12.478 20.749) 30.704 3.050 ( 2.346 -1.525 -4.150) 5.006 3.441 ( 8.851 -3.475 1.289) 9.596 3.486 ( 11.441 0.366 -4.337) 12.241 3.661 ( 3.441 -5.017 5.091) 7.933 4.106 ( -4.397 -3.289 -9.021) 10.561 4.296 ( -5.248 4.689 2.470) 7.458 4.620 ( -6.569 1.628 -8.085) 10.543 5.001 ( -0.693 0.469 2.120) 2.279 5.148 ( 2.233 0.831 -6.262) 6.700 5.565 ( 3.159 -1.516 1.572) 3.840 5.753 ( 1.519 -2.424 -4.950) 5.717 6.182 ( -8.640 -3.170 4.498) 10.243 6.312 ( -8.444 0.442 -3.195) 9.039 7.882 ( 10.238 -1.257 1.082) 10.372 7.948 ( 12.017 1.027 -1.632) 12.171 8.591 ( -3.712 -3.099 6.155) 7.827 8.794 ( -1.271 1.138 -3.010) 3.460 8.919 ( -5.077 0.078 5.806) 7.713 9.031 ( -6.663 0.985 -1.239) 6.848 19.063 ( -1.869 -0.126 8.616) 8.817 19.457 ( -1.356 -0.682 -9.892) 10.007 20.067 ( -10.111 -1.754 0.970) 10.308 20.097 ( -8.909 -1.523 -0.074) 9.039 21.149 ( 22.837 -1.631 3.897) 23.225 21.272 ( 22.711 2.206 -2.142) 22.919 22.842 ( 15.737 -2.730 -3.100) 16.270 22.874 ( 19.559 -4.373 -6.499) 21.069 24.508 ( -8.018 -5.999 21.401) 23.628 25.196 ( -5.566 -1.595 -13.442) 14.636 26.177 ( 10.750 -2.338 5.612) 12.350 26.339 ( 14.317 -0.514 -2.942) 14.625 48.013 ( 0.058 -0.031 6.635) 6.635 48.322 ( -0.137 -0.583 -8.214) 8.235 49.428 ( -13.712 0.293 5.935) 14.944 49.634 ( -15.874 1.687 -4.234) 16.515 97.564 ( 5.616 -0.854 3.178) 6.509 97.728 ( 2.698 -1.762 -2.310) 3.965 97.869 ( 6.539 -0.673 -1.093) 6.663 98.051 ( 8.501 4.520 -12.650) 15.897 99.409 ( -8.597 -5.964 10.318) 14.695 99.794 ( -16.589 -9.526 -5.174) 19.817 102.643 ( 4.303 -0.308 24.886) 25.257 103.455 ( 2.106 1.382 -15.378) 15.583======================= Grid point 302 (95/168) =======================q-point: ( 0.25 0.10 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 360Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.724 ( 15.907 -0.030 11.131) 19.414 1.760 ( 12.026 3.133 16.020) 20.275 2.248 ( 10.385 -2.240 -4.994) 11.739 2.365 ( 14.181 2.232 -7.805) 16.340 2.812 ( 19.742 6.681 9.953) 23.096 3.107 ( 3.902 -2.288 -1.724) 4.841 3.444 ( -3.128 -4.129 12.983) 13.979 3.725 ( 9.227 -0.159 -3.103) 9.736 3.833 ( 7.640 -3.868 -2.907) 9.044 4.045 ( -0.495 -2.226 -6.934) 7.299 4.214 ( -1.765 3.849 0.812) 4.312 4.518 ( -3.294 1.201 -8.663) 9.346 4.977 ( -1.001 0.350 3.648) 3.799 5.172 ( 0.674 -0.469 -6.575) 6.626 5.618 ( 1.293 -0.365 1.878) 2.309 5.795 ( 2.329 -1.902 -2.793) 4.104 6.033 ( -5.742 -2.300 2.202) 6.566 6.166 ( -6.196 1.205 -6.838) 9.306 8.033 ( 5.027 0.614 3.908) 6.397 8.167 ( 9.091 0.653 -2.778) 9.528 8.504 ( -4.637 -1.601 6.627) 8.245 8.757 ( -2.308 0.626 -5.047) 5.585 8.836 ( -3.088 -0.547 5.178) 6.053 8.924 ( -3.202 -0.490 0.706) 3.316 19.026 ( -1.743 0.072 9.024) 9.191 19.427 ( -1.435 -0.472 -9.682) 9.799 19.869 ( -9.058 -0.629 1.549) 9.211 19.956 ( -5.492 -1.558 -2.508) 6.235 21.662 ( 27.025 -1.151 3.153) 27.233 21.776 ( 26.402 2.443 -2.351) 26.619 23.132 ( 13.149 -2.664 -0.800) 13.440 23.225 ( 14.377 -5.041 -7.077) 16.799 24.389 ( -4.066 -2.243 20.669) 21.184 25.124 ( -1.792 -1.151 -15.323) 15.471 26.378 ( 9.107 -1.546 7.741) 12.052 26.607 ( 12.080 -0.801 -3.890) 12.716 48.021 ( 0.908 -0.198 6.438) 6.505 48.322 ( 0.146 -0.705 -8.128) 8.160 49.123 ( -15.979 0.067 4.739) 16.667 49.277 ( -18.937 0.960 -2.939) 19.188 97.639 ( 1.692 -0.896 3.686) 4.153 97.758 ( 1.191 -0.699 -1.086) 1.757 97.989 ( 5.856 0.492 0.477) 5.896 98.218 ( 6.262 0.143 -13.231) 14.639 99.233 ( -8.375 -3.624 7.134) 11.583 99.492 ( -12.719 -4.791 -3.256) 13.976 102.754 ( 6.303 0.143 22.020) 22.905 103.520 ( 4.080 0.318 -15.155) 15.697======================= Grid point 303 (96/168) =======================q-point: ( 0.33 0.10 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 360Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.945 ( 9.394 1.065 14.012) 16.903 2.083 ( 16.160 -0.665 7.490) 17.824 2.471 ( 11.498 -1.169 -2.642) 11.856 2.569 ( 7.468 0.837 -7.692) 10.753 3.058 ( 2.957 0.817 9.459) 9.944 3.178 ( 2.178 -3.655 1.466) 4.500 3.422 ( 0.602 -2.712 9.349) 9.753 3.767 ( -3.829 -1.038 -2.375) 4.624 3.921 ( 3.149 -0.955 -0.488) 3.326 4.101 ( 5.407 0.840 -8.587) 10.182 4.261 ( 4.976 -0.331 0.265) 4.994 4.482 ( -0.905 1.000 -7.443) 7.564 4.987 ( 2.241 0.160 3.764) 4.383 5.191 ( 1.391 -0.956 -6.346) 6.567 5.600 ( -2.954 0.415 3.210) 4.382 5.837 ( 1.747 -0.719 -1.238) 2.258 5.958 ( -2.054 -1.693 -1.491) 3.051 6.061 ( -4.156 1.826 -8.116) 9.300 8.092 ( 1.053 1.334 6.370) 6.593 8.295 ( 3.443 0.928 -4.276) 5.567 8.424 ( -2.799 -0.439 8.262) 8.735 8.723 ( -0.289 -0.379 -5.207) 5.229 8.795 ( -1.042 -0.809 3.987) 4.199 8.895 ( -0.523 -1.098 0.012) 1.216 18.996 ( -1.158 0.214 9.346) 9.420 19.403 ( -0.902 -0.128 -9.561) 9.604 19.712 ( -6.437 -0.260 2.661) 6.970 19.867 ( -3.447 -1.604 -4.699) 6.044 22.195 ( 24.823 -1.387 2.446) 24.982 22.295 ( 24.124 2.432 -2.395) 24.364 23.354 ( 8.570 -3.035 -0.066) 9.092 23.449 ( 7.876 -4.151 -5.519) 10.475 24.332 ( -1.833 -0.260 20.730) 20.813 25.111 ( 0.177 -0.892 -16.763) 16.787 26.539 ( 6.808 -0.989 8.751) 11.132 26.818 ( 8.701 -1.000 -4.978) 10.074 48.055 ( 2.609 -0.309 5.907) 6.464 48.329 ( 0.585 -0.821 -7.461) 7.529 48.810 ( -14.455 -0.256 3.045) 14.774 48.896 ( -18.280 0.452 -1.441) 18.342 97.646 ( -0.537 -0.664 3.886) 3.979 97.785 ( 1.454 -0.944 -2.285) 2.868 98.097 ( 4.444 0.242 1.479) 4.690 98.283 ( 0.427 -0.869 -8.573) 8.628 99.088 ( -5.758 -1.872 5.024) 7.868 99.297 ( -6.626 -2.150 -4.276) 8.173 102.880 ( 5.780 0.156 19.929) 20.751 103.607 ( 4.182 -0.047 -15.008) 15.580======================= Grid point 304 (97/168) =======================q-point: ( 0.42 0.10 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 360Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.115 ( 6.977 -0.574 11.140) 13.157 2.348 ( 9.045 0.469 1.848) 9.243 2.687 ( 9.209 -1.049 -0.794) 9.303 2.734 ( 9.975 -1.604 -1.609) 10.230 3.011 ( -4.555 -1.629 12.118) 13.048 3.174 ( -3.176 -2.118 0.564) 3.859 3.368 ( -6.015 -5.291 5.288) 9.599 3.662 ( -5.110 1.151 -2.672) 5.880 4.016 ( 5.528 -0.925 0.504) 5.627 4.229 ( 6.338 0.527 -6.430) 9.044 4.343 ( 2.529 -2.114 -2.332) 4.038 4.455 ( -1.963 1.229 -6.231) 6.648 5.053 ( 3.587 -0.226 2.877) 4.604 5.226 ( 1.831 -1.349 -5.248) 5.719 5.524 ( -3.757 1.086 4.464) 5.935 5.864 ( 1.020 0.485 -1.549) 1.917 5.922 ( -1.941 -0.260 -7.339) 7.596 6.007 ( -1.161 1.765 -4.124) 4.633 8.090 ( -0.802 1.523 7.034) 7.241 8.320 ( -0.062 0.528 -3.083) 3.128 8.398 ( -0.232 0.623 8.911) 8.936 8.748 ( 2.001 -1.597 -2.351) 3.476 8.787 ( 0.178 -0.390 0.254) 0.498 8.882 ( -0.953 -0.967 -1.362) 1.923 18.979 ( -0.524 0.287 9.531) 9.549 19.391 ( -0.284 0.353 -9.725) 9.735 19.612 ( -3.405 -0.349 3.711) 5.048 19.815 ( -1.723 -1.739 -5.962) 6.445 22.616 ( 15.796 -1.819 1.944) 16.018 22.706 ( 15.549 2.349 -2.527) 15.927 23.472 ( 3.209 -3.126 -0.054) 4.481 23.547 ( 2.147 -3.319 -4.149) 5.731 24.307 ( -0.761 0.766 21.331) 21.359 25.120 ( 0.525 -0.759 -17.654) 17.678 26.646 ( 3.678 -0.788 9.123) 9.868 26.952 ( 4.546 -1.114 -5.747) 7.412 48.133 ( 5.268 -0.310 5.001) 7.270 48.349 ( 1.591 -0.822 -5.357) 5.648 48.556 ( -12.471 -0.453 0.505) 12.490 48.568 ( -11.629 -0.048 -0.111) 11.629 97.631 ( -0.686 -0.628 4.379) 4.476 97.814 ( 1.263 -1.482 -4.055) 4.499 98.160 ( 1.916 -0.090 1.268) 2.299 98.260 ( -1.833 -0.528 -3.789) 4.242 99.005 ( -2.547 -0.998 4.184) 4.999 99.213 ( -2.188 -0.941 -5.818) 6.287 102.974 ( 3.368 0.151 18.759) 19.060 103.677 ( 2.572 -0.112 -14.883) 15.104======================= Grid point 305 (98/168) =======================q-point: (-0.50 0.10 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 210Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.193 ( 0.000 -1.219 9.478) 9.556 2.436 ( 0.000 1.205 -0.979) 1.553 2.801 ( 0.000 -1.661 1.698) 2.375 2.902 ( 0.000 -4.633 11.831) 12.706 2.946 ( -0.000 -0.250 -3.578) 3.586 3.088 ( 0.000 1.247 6.587) 6.704 3.281 ( 0.000 -8.276 3.188) 8.869 3.604 ( 0.000 1.900 -3.342) 3.844 4.082 ( 0.000 -1.477 0.528) 1.569 4.313 ( 0.000 -1.589 0.613) 1.704 4.362 ( 0.000 -0.675 -10.718) 10.739 4.423 ( 0.000 1.300 -4.628) 4.808 5.096 ( 0.000 -0.734 2.390) 2.500 5.248 ( 0.000 -1.598 -4.577) 4.848 5.480 ( 0.000 1.610 5.133) 5.380 5.886 ( 0.000 1.358 2.744) 3.062 5.886 ( -0.000 0.559 -14.253) 14.264 5.999 ( 0.000 1.309 -2.325) 2.668 8.079 ( 0.000 1.597 7.124) 7.301 8.318 ( 0.000 0.319 -2.359) 2.380 8.397 ( 0.000 0.864 9.243) 9.283 8.768 ( 0.000 -1.367 3.250) 3.526 8.800 ( 0.000 -1.280 -6.339) 6.467 8.864 ( -0.000 -0.342 -1.420) 1.460 18.974 ( 0.000 0.306 9.588) 9.593 19.389 ( 0.000 0.645 -9.942) 9.963 19.577 ( 0.000 -0.517 4.240) 4.272 19.797 ( 0.000 -1.803 -6.365) 6.615 22.784 ( 0.000 -2.002 1.807) 2.697 22.873 ( 0.000 2.276 -2.721) 3.548 23.499 ( 0.000 -3.139 -0.197) 3.145 23.561 ( 0.000 -2.956 -3.515) 4.592 24.300 ( 0.000 1.079 21.671) 21.698 25.126 ( 0.000 -0.717 -17.958) 17.972 26.684 ( 0.000 -0.750 9.208) 9.238 26.998 ( 0.000 -1.153 -6.015) 6.125 48.236 ( 0.000 -0.171 4.897) 4.900 48.363 ( 0.000 -0.317 0.580) 0.661 48.388 ( 0.000 -0.551 -0.608) 0.820 48.442 ( 0.000 -0.840 -4.829) 4.901 97.624 ( 0.000 -0.637 4.618) 4.662 97.828 ( 0.000 -1.824 -5.055) 5.374 98.179 ( 0.000 -0.188 1.006) 1.024 98.237 ( 0.000 -0.146 -1.763) 1.769 98.980 ( 0.000 -0.766 4.014) 4.086 99.193 ( 0.000 -0.629 -6.361) 6.392 103.009 ( 0.000 0.156 18.390) 18.390 103.704 ( 0.000 -0.110 -14.835) 14.835======================= Grid point 312 (99/168) =======================q-point: ( 0.00 0.20 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 224Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.099 ( 0.000 17.131 7.754) 18.804 1.256 ( 0.000 13.664 12.106) 18.255 1.413 ( 0.000 9.930 -7.328) 12.341 1.742 ( 0.000 -2.732 -10.441) 10.792 2.488 ( 0.000 22.403 28.869) 36.542 2.818 ( 0.000 -5.206 3.497) 6.271 2.948 ( 0.000 -6.457 -2.715) 7.005 3.309 ( 0.000 -1.431 -7.163) 7.304 3.584 ( 0.000 -8.030 11.430) 13.969 4.172 ( 0.000 -3.243 -14.443) 14.802 4.555 ( 0.000 5.196 3.659) 6.355 4.935 ( 0.000 0.016 0.127) 0.128 4.940 ( 0.000 -0.090 -0.126) 0.155 5.056 ( 0.000 4.280 -17.894) 18.399 5.445 ( 0.000 -3.878 3.687) 5.351 5.701 ( 0.000 -2.033 -8.391) 8.634 6.313 ( 0.000 -8.030 5.690) 9.842 6.567 ( 0.000 -5.398 -5.324) 7.582 7.514 ( 0.000 0.096 0.336) 0.349 7.529 ( 0.000 -0.289 -0.340) 0.447 8.604 ( 0.000 -2.238 11.382) 11.600 8.850 ( 0.000 1.415 -1.096) 1.790 9.092 ( 0.000 1.818 5.351) 5.651 9.256 ( 0.000 1.554 -4.236) 4.513 19.098 ( 0.000 -0.676 8.100) 8.128 19.462 ( 0.000 -1.278 -9.072) 9.161 20.385 ( 0.000 -0.072 -0.250) 0.260 20.414 ( 0.000 0.020 -1.470) 1.470 20.421 ( 0.000 -9.531 9.094) 13.173 20.718 ( 0.000 -4.751 -6.612) 8.142 22.145 ( 0.000 1.071 9.823) 9.881 22.494 ( 0.000 1.140 -7.043) 7.135 24.508 ( 0.000 -13.213 29.595) 32.411 25.391 ( 0.000 -6.998 -16.382) 17.814 25.851 ( 0.000 1.632 0.340) 1.667 25.868 ( 0.000 1.753 -0.424) 1.804 48.019 ( 0.000 0.028 6.283) 6.283 48.316 ( 0.000 -0.710 -7.903) 7.935 49.744 ( 0.000 0.549 7.561) 7.581 50.041 ( 0.000 1.852 -7.453) 7.680 97.385 ( 0.000 0.265 0.137) 0.298 97.391 ( 0.000 0.289 -0.138) 0.320 97.820 ( 0.000 3.594 4.114) 5.463 98.065 ( 0.000 6.569 -9.089) 11.214 99.405 ( 0.000 -11.206 11.113) 15.782 99.848 ( 0.000 -20.105 -6.940) 21.269 102.557 ( 0.000 0.666 27.978) 27.986 103.492 ( 0.000 0.359 -18.469) 18.472======================= Grid point 313 (100/168) =======================q-point: ( 0.08 0.20 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 360Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.224 ( 9.059 11.040 11.626) 18.414 1.402 ( 14.139 14.240 8.608) 21.835 1.630 ( 18.699 8.454 -5.804) 21.326 1.813 ( 7.240 -2.587 -9.842) 12.489 2.506 ( 3.081 19.814 24.511) 31.668 2.896 ( 6.085 -5.137 2.557) 8.364 3.090 ( 12.648 -5.844 -1.909) 14.063 3.327 ( 2.790 -1.817 -5.292) 6.252 3.558 ( -2.273 -7.712 10.833) 13.491 4.129 ( -3.823 -2.978 -13.095) 13.963 4.502 ( -4.480 5.377 1.984) 7.275 4.815 ( -8.080 1.865 -5.865) 10.157 4.978 ( 2.728 -0.362 0.627) 2.823 5.125 ( 2.997 1.480 -10.517) 11.036 5.458 ( 1.884 -3.432 3.895) 5.523 5.698 ( 0.028 -1.585 -7.409) 7.577 6.242 ( -6.218 -6.835 5.129) 10.568 6.466 ( -7.866 -3.098 -5.108) 9.877 7.633 ( 9.892 -0.667 0.568) 9.930 7.683 ( 13.122 -1.120 -2.131) 13.341 8.584 ( -1.869 -2.246 11.185) 11.560 8.839 ( -1.003 1.191 -1.471) 2.143 9.042 ( -4.676 1.558 5.351) 7.275 9.194 ( -5.739 1.434 -3.540) 6.894 19.087 ( -1.008 -0.536 8.232) 8.311 19.457 ( -0.585 -1.266 -9.093) 9.199 20.195 ( -9.740 -4.519 2.783) 11.092 20.263 ( -9.780 -1.796 -1.769) 10.099 20.701 ( 17.207 -3.212 4.966) 18.195 20.906 ( 16.036 -0.584 -4.870) 16.769 22.344 ( 17.347 -2.907 4.488) 18.152 22.587 ( 8.758 0.042 -5.899) 10.560 24.462 ( -3.825 -10.372 27.549) 29.684 25.281 ( -7.693 -4.572 -14.480) 17.023 25.946 ( 8.118 0.450 1.913) 8.353 26.032 ( 13.307 -0.551 -2.567) 13.564 48.016 ( -0.285 -0.018 6.312) 6.318 48.313 ( -0.280 -0.732 -7.917) 7.955 49.661 ( -8.024 0.554 7.254) 10.831 49.939 ( -9.770 1.876 -6.642) 11.962 97.440 ( 4.536 -0.149 0.768) 4.603 97.502 ( 9.648 -2.084 -2.614) 10.210 97.832 ( 1.381 3.591 4.019) 5.564 98.079 ( 1.453 6.093 -9.444) 11.333 99.367 ( -3.636 -10.201 10.158) 14.848 99.767 ( -7.551 -17.461 -5.898) 19.917 102.578 ( 2.183 0.823 26.851) 26.953 103.478 ( -0.972 0.630 -17.447) 17.486======================= Grid point 314 (101/168) =======================q-point: ( 0.17 0.20 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 364Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.441 ( 12.730 5.462 12.523) 18.674 1.679 ( 11.226 10.134 11.384) 18.929 1.984 ( 11.880 -1.078 -5.954) 13.332 2.084 ( 20.547 6.083 -5.980) 22.247 2.665 ( 12.976 14.439 13.634) 23.722 2.988 ( 2.488 -4.984 -0.569) 5.600 3.337 ( 6.178 -6.810 5.555) 10.743 3.472 ( 11.793 -3.399 -0.116) 12.274 3.548 ( 5.293 -4.963 2.896) 7.813 4.042 ( -4.195 -2.674 -10.109) 11.266 4.398 ( -5.514 5.219 -0.118) 7.593 4.658 ( -7.083 2.027 -7.396) 10.440 5.008 ( -0.203 0.028 1.980) 1.991 5.149 ( 0.091 -1.173 -6.179) 6.290 5.529 ( 4.641 -1.826 2.642) 5.644 5.716 ( 1.851 -0.892 -5.510) 5.881 6.101 ( -7.035 -4.787 4.122) 9.455 6.309 ( -7.227 -0.914 -6.742) 9.926 7.860 ( 11.281 -0.967 1.375) 11.405 7.955 ( 12.738 -0.390 -2.926) 13.076 8.535 ( -2.892 -2.207 10.337) 10.958 8.812 ( -1.715 0.606 -2.687) 3.245 8.926 ( -6.080 0.662 5.038) 7.924 9.050 ( -7.872 0.829 -1.944) 8.151 19.060 ( -1.584 -0.210 8.588) 8.736 19.438 ( -1.158 -1.123 -8.924) 9.068 20.016 ( -8.295 -3.350 0.968) 8.998 20.065 ( -9.072 -1.559 -1.762) 9.372 21.119 ( 24.004 -1.409 4.959) 24.552 21.312 ( 23.590 1.753 -4.266) 24.037 22.734 ( 19.283 -6.646 -1.779) 20.473 22.816 ( 13.210 -2.272 -3.783) 13.928 24.386 ( -3.189 -5.713 24.156) 25.026 25.152 ( -4.682 -2.778 -14.379) 15.375 26.142 ( 10.533 -1.045 4.836) 11.637 26.317 ( 14.097 -1.533 -3.849) 14.693 48.011 ( -0.126 -0.165 6.309) 6.313 48.307 ( -0.281 -0.869 -7.962) 8.014 49.435 ( -13.904 0.419 6.407) 15.315 49.668 ( -16.533 1.642 -5.083) 17.375 97.545 ( 5.066 -0.912 2.271) 5.626 97.673 ( 5.488 -3.315 -3.502) 7.306 97.894 ( 5.014 2.685 2.674) 6.285 98.133 ( 4.025 3.712 -10.425) 11.775 99.268 ( -5.843 -7.662 7.815) 12.407 99.575 ( -10.578 -11.899 -4.189) 16.463 102.648 ( 4.702 0.836 24.267) 24.733 103.476 ( 1.149 0.567 -15.986) 16.037======================= Grid point 315 (102/168) =======================q-point: ( 0.25 0.20 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 360Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.726 ( 15.125 0.946 11.529) 19.042 1.860 ( 7.532 6.778 15.793) 18.764 2.206 ( 11.137 -1.589 -3.911) 11.910 2.442 ( 13.145 5.534 -8.515) 16.611 2.948 ( 11.395 4.868 5.190) 13.435 3.038 ( 3.521 -4.013 0.659) 5.380 3.329 ( -1.694 -7.139 12.158) 14.201 3.706 ( 8.276 -2.874 1.160) 8.837 3.755 ( 10.060 -2.451 -4.819) 11.421 4.000 ( 1.526 -2.465 -6.090) 6.745 4.297 ( -3.877 4.344 -1.044) 5.915 4.543 ( -4.033 1.283 -7.936) 8.994 4.989 ( -0.766 0.909 3.574) 3.766 5.150 ( 0.288 -1.796 -5.285) 5.589 5.612 ( 2.675 -0.131 1.869) 3.265 5.764 ( 2.691 -0.893 -3.191) 4.269 5.982 ( -4.304 -2.774 2.603) 5.744 6.179 ( -5.650 0.009 -8.408) 10.130 8.047 ( 6.694 0.649 3.282) 7.484 8.178 ( 9.248 0.381 -2.617) 9.619 8.471 ( -3.342 -1.585 8.959) 9.692 8.767 ( -2.766 0.176 -4.950) 5.673 8.821 ( -3.990 -0.731 4.208) 5.845 8.914 ( -4.668 -0.511 0.120) 4.697 19.028 ( -1.504 0.131 9.030) 9.155 19.414 ( -1.086 -0.790 -8.620) 8.724 19.849 ( -8.028 -1.464 0.435) 8.172 19.918 ( -5.684 -2.023 -2.772) 6.640 21.643 ( 27.126 -0.780 4.520) 27.511 21.825 ( 26.506 2.375 -4.205) 26.942 23.061 ( 12.907 -4.572 -1.559) 13.781 23.104 ( 14.452 -6.491 -4.282) 16.411 24.342 ( -1.258 -2.250 21.786) 21.938 25.093 ( -1.326 -1.927 -15.203) 15.382 26.347 ( 9.541 -1.335 6.892) 11.845 26.582 ( 11.934 -1.699 -4.587) 12.898 48.016 ( 0.735 -0.365 6.117) 6.172 48.304 ( -0.047 -1.107 -7.861) 7.939 49.124 ( -16.347 0.064 5.162) 17.143 49.298 ( -19.558 1.119 -3.494) 19.899 97.618 ( 1.912 -1.101 2.913) 3.654 97.732 ( 1.523 -1.939 -1.926) 3.129 98.008 ( 5.598 1.490 1.683) 6.033 98.220 ( 3.721 0.042 -9.600) 10.296 99.146 ( -5.894 -4.759 5.346) 9.272 99.374 ( -8.640 -6.712 -3.786) 11.577 102.761 ( 6.211 0.549 21.637) 22.518 103.525 ( 3.535 0.133 -15.215) 15.621======================= Grid point 316 (103/168) =======================q-point: ( 0.33 0.20 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 364Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.981 ( 7.440 2.383 14.232) 16.235 2.058 ( 14.627 -1.431 11.654) 18.756 2.442 ( 12.032 -1.645 -3.231) 12.566 2.610 ( 4.877 3.353 -9.608) 11.284 3.041 ( -3.337 -4.107 8.705) 10.187 3.093 ( 3.529 -4.026 1.573) 5.580 3.342 ( -0.062 -5.222 6.579) 8.400 3.756 ( -1.415 0.209 -1.599) 2.145 3.898 ( 4.836 -1.205 -0.999) 5.083 4.102 ( 6.649 -1.282 -6.590) 9.449 4.270 ( 1.215 1.379 -0.737) 1.980 4.494 ( -1.338 0.215 -7.826) 7.942 5.002 ( 2.149 1.474 3.919) 4.707 5.167 ( 1.435 -1.255 -4.847) 5.209 5.614 ( -2.250 1.046 2.741) 3.697 5.819 ( 2.696 -1.043 -1.512) 3.262 5.939 ( -0.412 -0.299 -0.544) 0.745 6.084 ( -3.686 0.514 -8.156) 8.965 8.126 ( 1.543 1.980 5.939) 6.448 8.310 ( 3.137 0.406 -1.560) 3.527 8.418 ( -1.082 -0.015 6.845) 6.930 8.713 ( -1.761 -0.751 -4.141) 4.562 8.775 ( -0.776 -1.087 2.113) 2.499 8.865 ( -0.899 -1.827 -0.400) 2.075 19.002 ( -1.009 0.384 9.428) 9.490 19.399 ( -0.356 -0.250 -8.573) 8.585 19.705 ( -6.198 -0.495 1.157) 6.324 19.825 ( -3.701 -2.546 -4.195) 6.146 22.173 ( 24.490 -0.857 3.971) 24.824 22.343 ( 23.932 2.299 -4.272) 24.418 23.276 ( 8.298 -4.687 -0.338) 9.536 23.343 ( 8.920 -6.234 -4.291) 11.698 24.329 ( -0.189 0.015 20.684) 20.685 25.087 ( 0.418 -1.507 -16.052) 16.128 26.516 ( 7.060 -1.228 8.009) 10.747 26.790 ( 8.573 -1.791 -5.267) 10.220 48.047 ( 2.533 -0.513 5.571) 6.141 48.307 ( 0.479 -1.312 -7.174) 7.309 48.803 ( -14.869 -0.398 3.444) 15.268 48.906 ( -18.784 0.532 -1.852) 18.883 97.629 ( -0.420 -0.936 3.266) 3.423 97.756 ( 0.969 -1.992 -2.452) 3.305 98.105 ( 3.844 0.650 1.767) 4.281 98.261 ( 0.299 -1.287 -6.093) 6.234 99.042 ( -4.263 -2.619 4.015) 6.415 99.243 ( -4.376 -3.152 -5.022) 7.369 102.884 ( 5.705 0.311 19.719) 20.530 103.605 ( 4.029 -0.125 -14.864) 15.400======================= Grid point 317 (104/168) =======================q-point: ( 0.42 0.20 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 360Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.106 ( 5.076 -0.263 12.969) 13.930 2.335 ( 11.175 -2.252 6.688) 13.216 2.654 ( 7.466 -2.189 -3.698) 8.615 2.715 ( 7.337 -0.052 -2.498) 7.751 2.944 ( -4.372 -5.376 9.507) 11.765 3.122 ( -1.114 -3.189 -1.124) 3.560 3.244 ( -8.386 -6.606 7.120) 12.832 3.691 ( -4.105 1.847 -3.150) 5.494 3.994 ( 4.528 -1.303 0.870) 4.792 4.227 ( 4.985 -1.113 -4.889) 7.070 4.310 ( 2.097 -1.087 -4.176) 4.797 4.468 ( -1.556 0.093 -7.445) 7.607 5.059 ( 2.829 1.011 3.095) 4.313 5.201 ( 1.580 -0.977 -3.870) 4.293 5.554 ( -2.849 1.940 4.354) 5.553 5.869 ( 2.152 0.051 -3.518) 4.124 5.934 ( -0.638 1.187 -3.572) 3.818 6.035 ( -1.194 0.972 -4.369) 4.632 8.130 ( -0.599 2.438 6.879) 7.323 8.321 ( -0.528 -0.456 4.328) 4.384 8.423 ( 0.483 1.774 1.248) 2.222 8.714 ( 1.405 -1.772 -0.715) 2.372 8.771 ( -0.065 -1.152 -1.414) 1.825 8.855 ( -0.338 -1.725 -1.644) 2.407 18.988 ( -0.460 0.525 9.705) 9.730 19.400 ( 0.366 0.511 -9.237) 9.258 19.604 ( -3.690 -0.463 2.407) 4.430 19.768 ( -1.918 -2.943 -5.061) 6.161 22.587 ( 15.466 -1.191 3.568) 15.917 22.749 ( 15.337 2.001 -4.525) 16.116 23.390 ( 3.143 -4.912 0.107) 5.832 23.460 ( 2.935 -5.201 -3.626) 6.986 24.328 ( 0.020 1.356 20.481) 20.526 25.100 ( 0.630 -1.308 -16.649) 16.713 26.626 ( 3.743 -1.168 8.513) 9.373 26.922 ( 4.469 -1.880 -5.767) 7.534 48.125 ( 5.364 -0.500 4.630) 7.104 48.327 ( 1.710 -1.326 -5.134) 5.571 48.544 ( -11.149 -0.743 0.881) 11.209 48.567 ( -13.774 -0.137 -0.364) 13.780 97.616 ( -0.691 -0.890 3.689) 3.857 97.772 ( 0.621 -2.658 -3.626) 4.538 98.160 ( 1.636 0.065 1.443) 2.182 98.247 ( -1.142 -0.802 -2.744) 3.079 98.979 ( -1.950 -1.503 3.745) 4.482 99.189 ( -1.360 -1.439 -6.345) 6.646 102.978 ( 3.360 0.232 18.627) 18.929 103.674 ( 2.567 -0.176 -14.690) 14.914======================= Grid point 318 (105/168) =======================q-point: (-0.50 0.20 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 212Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.163 ( 0.000 -1.753 11.510) 11.643 2.452 ( 0.000 0.020 1.874) 1.875 2.764 ( 0.000 -1.765 -1.700) 2.451 2.784 ( 0.000 -7.519 9.784) 12.339 2.940 ( 0.000 -0.329 -4.912) 4.923 3.050 ( 0.000 -8.405 11.147) 13.961 3.139 ( 0.000 -2.396 1.200) 2.680 3.641 ( 0.000 1.967 -3.859) 4.331 4.046 ( 0.000 -2.091 1.294) 2.459 4.275 ( 0.000 -2.331 1.506) 2.775 4.343 ( 0.000 -1.152 -11.773) 11.829 4.443 ( 0.000 0.683 -6.779) 6.813 5.091 ( 0.000 0.452 2.587) 2.626 5.219 ( 0.000 -1.069 -3.430) 3.593 5.522 ( 0.000 2.615 5.162) 5.786 5.901 ( 0.000 0.894 -13.087) 13.117 5.915 ( -0.000 1.366 3.217) 3.495 6.026 ( 0.000 1.250 -2.025) 2.379 8.121 ( 0.000 2.593 6.998) 7.463 8.315 ( 0.000 -0.580 5.521) 5.551 8.427 ( 0.000 1.954 0.569) 2.035 8.737 ( 0.000 -1.599 3.457) 3.809 8.767 ( 0.000 -1.990 -5.909) 6.235 8.851 ( 0.000 -1.088 -1.973) 2.254 18.983 ( 0.000 0.568 9.806) 9.823 19.406 ( 0.000 1.048 -10.134) 10.188 19.564 ( 0.000 -0.751 3.505) 3.585 19.748 ( 0.000 -3.101 -5.339) 6.175 22.751 ( 0.000 -1.356 3.456) 3.713 22.914 ( 0.000 1.866 -4.792) 5.143 23.417 ( 0.000 -4.983 0.165) 4.986 23.483 ( 0.000 -4.747 -3.196) 5.722 24.329 ( 0.000 1.806 20.538) 20.618 25.107 ( 0.000 -1.248 -16.866) 16.912 26.664 ( 0.000 -1.163 8.652) 8.730 26.967 ( 0.000 -1.917 -5.949) 6.250 48.232 ( 0.000 -0.251 4.455) 4.462 48.354 ( 0.000 -0.524 0.437) 0.682 48.373 ( 0.000 -0.895 -0.462) 1.007 48.419 ( 0.000 -1.406 -4.409) 4.627 97.608 ( 0.000 -0.893 3.877) 3.978 97.779 ( 0.000 -3.052 -4.226) 5.213 98.175 ( 0.000 -0.101 1.211) 1.216 98.233 ( 0.000 -0.331 -1.432) 1.470 98.960 ( 0.000 -1.183 3.751) 3.934 99.177 ( 0.000 -0.999 -6.779) 6.852 103.013 ( 0.000 0.225 18.279) 18.281 103.701 ( 0.000 -0.169 -14.635) 14.636======================= Grid point 325 (106/168) =======================q-point: ( 0.00 0.30 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 210Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.434 ( 0.000 16.638 4.330) 17.192 1.587 ( 0.000 18.585 4.031) 19.018 1.620 ( 0.000 10.838 -4.565) 11.760 1.761 ( 0.000 6.045 -4.129) 7.320 2.700 ( 0.000 -6.690 2.626) 7.187 2.799 ( 0.000 -8.535 -2.120) 8.795 2.879 ( 0.000 11.636 16.876) 20.499 3.214 ( 0.000 -5.561 3.702) 6.680 3.423 ( 0.000 -5.930 15.111) 16.233 4.154 ( 0.000 1.352 -15.910) 15.967 4.636 ( 0.000 2.693 2.309) 3.548 4.934 ( 0.000 -0.076 0.111) 0.135 4.938 ( 0.000 -0.062 -0.095) 0.114 5.062 ( 0.000 -4.416 -15.877) 16.480 5.376 ( 0.000 -2.134 6.274) 6.627 5.681 ( 0.000 0.115 -9.465) 9.466 6.163 ( 0.000 -6.691 2.751) 7.235 6.454 ( 0.000 -6.030 -10.000) 11.677 7.516 ( 0.000 0.077 0.154) 0.172 7.523 ( 0.000 -0.274 -0.164) 0.319 8.583 ( 0.000 -0.236 13.695) 13.697 8.873 ( 0.000 0.936 -0.960) 1.341 9.131 ( 0.000 1.947 4.646) 5.037 9.279 ( 0.000 0.869 -3.427) 3.535 19.084 ( 0.000 -0.670 8.044) 8.071 19.436 ( 0.000 -1.288 -8.407) 8.505 20.261 ( 0.000 -6.696 9.317) 11.474 20.386 ( 0.000 0.155 -0.608) 0.628 20.414 ( 0.000 -0.046 -1.990) 1.991 20.631 ( 0.000 -3.913 -9.260) 10.053 22.166 ( 0.000 0.994 10.039) 10.088 22.516 ( 0.000 1.042 -6.935) 7.013 24.323 ( 0.000 -6.365 28.325) 29.031 25.258 ( 0.000 -6.135 -17.983) 19.000 25.885 ( 0.000 1.715 0.337) 1.748 25.902 ( 0.000 1.691 -0.470) 1.755 48.019 ( 0.000 -0.071 6.011) 6.012 48.303 ( 0.000 -0.625 -7.671) 7.697 49.755 ( 0.000 0.530 7.943) 7.960 50.064 ( 0.000 0.668 -7.224) 7.255 97.391 ( 0.000 0.265 0.149) 0.304 97.397 ( 0.000 0.289 -0.149) 0.325 97.898 ( 0.000 4.208 5.290) 6.760 98.176 ( 0.000 4.550 -8.498) 9.639 99.213 ( 0.000 -7.914 5.796) 9.809 99.505 ( 0.000 -14.942 -5.340) 15.867 102.588 ( 0.000 1.967 25.665) 25.740 103.482 ( 0.000 -1.010 -17.441) 17.470======================= Grid point 326 (107/168) =======================q-point: ( 0.08 0.30 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 360Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.494 ( 4.444 15.772 5.898) 17.415 1.697 ( 9.567 14.507 4.075) 17.849 1.784 ( 11.757 6.888 -4.799) 14.446 1.863 ( 13.099 9.202 -2.294) 16.172 2.761 ( 4.262 -3.161 3.785) 6.518 2.786 ( 1.555 -2.921 3.518) 4.830 3.022 ( 11.600 -0.272 6.571) 13.335 3.235 ( 2.542 -5.038 4.942) 7.501 3.411 ( -0.482 -4.661 13.666) 14.447 4.113 ( -3.808 1.128 -14.734) 15.260 4.587 ( -4.263 3.010 1.067) 5.326 4.838 ( -7.233 0.230 -4.912) 8.746 4.968 ( 2.317 -0.623 0.527) 2.456 5.095 ( 1.077 -4.677 -8.740) 9.971 5.408 ( 3.498 -1.050 5.470) 6.577 5.689 ( 0.859 0.567 -8.800) 8.860 6.112 ( -4.526 -5.912 2.940) 8.005 6.391 ( -5.225 -4.389 -9.879) 12.007 7.622 ( 9.105 -0.513 0.384) 9.127 7.659 ( 12.300 -1.180 -1.555) 12.454 8.562 ( -2.010 -0.316 13.557) 13.708 8.858 ( -1.499 0.673 -1.264) 2.073 9.075 ( -5.212 1.693 4.492) 7.086 9.216 ( -5.919 0.832 -3.101) 6.734 19.076 ( -0.748 -0.534 8.184) 8.236 19.431 ( -0.530 -1.270 -8.266) 8.380 20.106 ( -8.648 -4.320 3.650) 10.333 20.231 ( -10.387 -1.377 -3.626) 11.087 20.653 ( 18.417 -1.795 4.294) 18.996 20.889 ( 19.168 -0.929 -6.947) 20.409 22.304 ( 12.729 -1.303 7.136) 14.651 22.589 ( 6.996 0.181 -6.127) 9.301 24.311 ( -0.913 -5.380 26.985) 27.531 25.189 ( -5.304 -4.512 -16.254) 17.683 25.964 ( 6.642 1.253 1.160) 6.858 26.027 ( 11.323 -0.021 -2.012) 11.500 48.014 ( -0.369 -0.109 6.016) 6.028 48.299 ( -0.373 -0.678 -7.692) 7.730 49.672 ( -8.091 0.493 7.642) 11.140 49.965 ( -9.648 0.804 -6.691) 11.769 97.439 ( 3.913 -0.016 0.448) 3.939 97.471 ( 6.923 -1.124 -1.233) 7.121 97.909 ( 1.208 4.106 5.111) 6.666 98.178 ( 0.251 3.969 -8.248) 9.157 99.192 ( -2.033 -7.228 5.237) 9.155 99.462 ( -4.041 -13.519 -4.960) 14.956 102.607 ( 2.000 1.789 24.890) 25.034 103.474 ( -0.472 -0.645 -16.861) 16.880======================= Grid point 327 (108/168) =======================q-point: ( 0.17 0.30 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 360Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.607 ( 7.089 11.218 8.347) 15.677 1.869 ( 7.845 8.106 3.155) 11.713 2.022 ( 10.561 6.529 2.911) 12.753 2.236 ( 19.848 8.637 -3.621) 21.947 2.827 ( 2.921 -4.070 1.581) 5.253 2.877 ( 6.142 -3.904 -0.424) 7.290 3.224 ( 2.195 -3.317 13.418) 13.996 3.349 ( 12.384 -7.132 5.525) 15.321 3.496 ( 10.690 0.071 2.682) 11.022 4.019 ( -4.878 0.159 -11.753) 12.726 4.484 ( -5.633 3.414 -0.627) 6.616 4.687 ( -7.245 0.547 -6.588) 9.808 5.001 ( 0.667 -0.640 1.497) 1.759 5.099 ( 0.063 -3.429 -3.927) 5.214 5.508 ( 5.763 -0.285 3.549) 6.775 5.720 ( 2.103 1.009 -7.095) 7.469 6.008 ( -5.153 -4.387 3.311) 7.534 6.277 ( -5.767 -2.323 -10.188) 11.936 7.844 ( 11.785 -0.677 1.281) 11.874 7.935 ( 13.769 -1.412 -3.096) 14.183 8.509 ( -3.030 -0.580 12.947) 13.309 8.816 ( -2.552 -0.089 -2.076) 3.291 8.943 ( -7.181 0.926 3.804) 8.179 9.063 ( -8.481 0.603 -2.236) 8.791 19.056 ( -1.218 -0.203 8.553) 8.642 19.416 ( -0.920 -1.128 -7.873) 8.007 19.947 ( -7.244 -3.482 1.362) 8.152 20.039 ( -8.575 -1.076 -3.859) 9.465 21.095 ( 24.934 -1.080 5.434) 25.542 21.337 ( 24.797 0.842 -6.136) 25.559 22.621 ( 17.299 -4.613 2.006) 18.016 22.777 ( 10.956 -1.702 -4.279) 11.885 24.298 ( -0.185 -3.334 24.264) 24.493 25.095 ( -3.463 -2.825 -15.042) 15.692 26.134 ( 9.599 0.120 3.606) 10.255 26.287 ( 13.526 -1.348 -3.820) 14.120 48.007 ( -0.293 -0.227 5.974) 5.986 48.290 ( -0.499 -0.848 -7.715) 7.778 49.443 ( -14.157 0.331 6.818) 15.717 49.693 ( -16.715 0.920 -5.438) 17.602 97.531 ( 4.558 -0.550 1.439) 4.811 97.612 ( 5.777 -2.708 -2.466) 6.840 97.956 ( 3.657 3.450 4.059) 6.462 98.191 ( 1.057 2.124 -7.423) 7.793 99.135 ( -3.387 -5.509 3.916) 7.560 99.357 ( -5.849 -9.993 -4.356) 12.372 102.670 ( 4.247 1.294 23.043) 23.467 103.478 ( 1.170 -0.183 -15.806) 15.850======================= Grid point 328 (109/168) =======================q-point: ( 0.25 0.30 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 360Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.780 ( 9.932 4.723 10.501) 15.206 2.006 ( 5.108 7.622 11.131) 14.426 2.206 ( 9.180 2.075 -0.018) 9.411 2.567 ( 11.206 6.714 -7.630) 15.128 2.879 ( 3.729 -7.812 0.725) 8.686 2.983 ( 1.433 -7.284 -0.492) 7.440 3.229 ( 1.522 -1.709 16.023) 16.186 3.637 ( 13.230 -2.790 4.081) 14.124 3.735 ( 9.829 -0.386 -4.365) 10.761 3.954 ( -0.086 -2.028 -7.733) 7.995 4.375 ( -4.732 3.603 -1.632) 6.167 4.563 ( -4.809 0.483 -7.343) 8.791 5.008 ( 0.622 0.894 2.902) 3.100 5.112 ( 1.273 -1.724 -3.085) 3.756 5.615 ( 4.118 0.436 2.256) 4.716 5.757 ( 1.280 -0.133 -3.757) 3.971 5.933 ( -1.596 -2.001 2.384) 3.498 6.167 ( -4.932 -1.110 -10.074) 11.271 8.055 ( 8.328 0.176 2.679) 8.750 8.180 ( 10.092 -0.161 -2.838) 10.484 8.447 ( -2.827 -0.793 11.358) 11.732 8.757 ( -3.334 -1.113 -3.069) 4.666 8.815 ( -4.925 -0.044 2.138) 5.369 8.907 ( -6.168 -0.094 -0.977) 6.245 19.031 ( -1.186 0.157 9.030) 9.109 19.398 ( -0.651 -0.786 -7.491) 7.560 19.810 ( -6.373 -2.431 0.248) 6.825 19.887 ( -6.491 -1.042 -3.964) 7.677 21.630 ( 27.379 -0.552 5.389) 27.910 21.864 ( 26.740 1.518 -5.754) 27.394 22.954 ( 14.905 -5.534 -1.196) 15.944 23.006 ( 11.278 -3.713 -2.521) 12.138 24.307 ( 1.023 -1.306 21.772) 21.835 25.054 ( -0.750 -1.980 -14.884) 15.034 26.329 ( 9.280 -0.596 5.699) 10.906 26.546 ( 11.805 -1.774 -4.753) 12.849 48.008 ( 0.557 -0.395 5.747) 5.788 48.281 ( -0.298 -1.096 -7.564) 7.649 49.125 ( -16.752 0.013 5.585) 17.659 49.317 ( -19.994 0.744 -3.909) 20.386 97.600 ( 1.971 -0.742 1.995) 2.901 97.687 ( 1.987 -2.542 -1.936) 3.763 98.045 ( 4.539 2.178 2.497) 5.620 98.218 ( 1.380 -0.318 -5.737) 5.909 99.062 ( -3.742 -3.665 2.891) 5.983 99.248 ( -4.539 -5.881 -4.648) 8.763 102.774 ( 5.784 0.721 21.022) 21.815 103.525 ( 3.344 -0.103 -15.055) 15.423======================= Grid point 329 (110/168) =======================q-point: ( 0.33 0.30 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 360Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.993 ( 10.089 -0.943 12.597) 16.167 2.089 ( 4.585 4.748 14.147) 15.611 2.414 ( 10.939 -1.082 -3.481) 11.530 2.683 ( 2.287 3.174 -9.899) 10.644 2.907 ( -4.149 -8.434 5.510) 10.895 3.012 ( 4.510 -4.358 0.102) 6.272 3.235 ( -2.762 -5.315 11.503) 12.969 3.777 ( 0.519 1.688 -2.928) 3.420 3.879 ( 5.579 -0.658 -0.613) 5.651 4.047 ( 7.653 -4.025 -5.103) 10.040 4.310 ( -1.640 2.442 -2.577) 3.910 4.497 ( -1.963 0.156 -8.284) 8.515 5.040 ( 2.526 2.322 3.427) 4.849 5.149 ( 2.279 -0.506 -2.483) 3.408 5.638 ( -1.628 1.352 2.330) 3.147 5.797 ( 3.236 -1.241 -0.558) 3.511 5.942 ( 1.562 0.593 -0.725) 1.821 6.083 ( -3.274 -0.514 -8.471) 9.096 8.161 ( 2.412 1.388 5.057) 5.772 8.315 ( 2.226 0.472 2.269) 3.214 8.419 ( 1.098 -0.117 4.605) 4.735 8.691 ( -2.414 -1.418 -2.520) 3.767 8.760 ( -0.843 -0.486 -0.058) 0.974 8.829 ( -1.891 -1.696 -1.006) 2.732 19.010 ( -0.800 0.431 9.512) 9.555 19.394 ( 0.285 -0.251 -7.524) 7.533 19.691 ( -5.401 -0.997 -0.080) 5.493 19.777 ( -4.520 -2.121 -3.965) 6.376 22.160 ( 24.303 -0.476 4.977) 24.812 22.381 ( 23.721 1.548 -5.677) 24.440 23.185 ( 7.993 -4.343 -0.592) 9.116 23.224 ( 9.574 -5.597 -2.942) 11.474 24.333 ( 1.400 0.358 20.065) 20.117 25.056 ( 0.689 -1.594 -15.090) 15.189 26.495 ( 6.992 -0.918 7.038) 9.963 26.753 ( 8.497 -1.891 -5.324) 10.204 48.036 ( 2.458 -0.520 5.162) 5.741 48.281 ( 0.338 -1.305 -6.837) 6.969 48.795 ( -15.318 -0.397 3.861) 15.802 48.915 ( -19.298 0.346 -2.233) 19.430 97.613 ( -0.317 -0.644 2.339) 2.446 97.710 ( 0.537 -2.623 -2.124) 3.418 98.123 ( 2.995 1.127 1.846) 3.694 98.235 ( 0.213 -1.314 -3.412) 3.662 98.993 ( -2.899 -2.276 2.892) 4.685 99.183 ( -1.967 -2.778 -5.934) 6.841 102.891 ( 5.506 0.351 19.431) 20.199 103.602 ( 3.949 -0.156 -14.660) 15.183======================= Grid point 330 (111/168) =======================q-point: ( 0.42 0.30 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 360Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.104 ( 2.510 -0.188 14.732) 14.946 2.270 ( 11.145 -3.441 9.894) 15.295 2.604 ( 5.725 -3.103 -2.162) 6.861 2.721 ( 2.275 -0.903 -3.741) 4.470 2.819 ( -2.484 -5.707 2.506) 6.709 3.038 ( -3.943 -5.036 -1.801) 6.644 3.148 ( -3.281 -3.042 10.090) 11.038 3.731 ( -3.687 2.067 -5.116) 6.636 3.966 ( 3.265 -1.643 2.024) 4.178 4.184 ( 4.632 -2.898 -1.453) 5.654 4.303 ( 0.841 0.260 -7.410) 7.462 4.468 ( -1.192 0.086 -8.868) 8.949 5.093 ( 2.163 2.290 3.158) 4.461 5.193 ( 1.783 0.149 -1.740) 2.496 5.595 ( -1.873 2.111 4.152) 5.020 5.868 ( 3.326 -0.184 -2.817) 4.363 5.959 ( -0.463 1.292 -3.246) 3.524 6.043 ( -0.608 -0.124 -3.979) 4.027 8.176 ( -0.226 2.059 6.202) 6.539 8.312 ( -0.800 -0.139 8.591) 8.629 8.453 ( 0.933 1.010 -2.962) 3.266 8.682 ( 1.292 -1.347 -0.288) 1.889 8.749 ( -0.782 -0.914 -1.910) 2.257 8.818 ( 0.338 -2.035 -1.832) 2.759 18.999 ( -0.359 0.598 9.895) 9.919 19.410 ( 1.177 0.464 -8.545) 8.639 19.596 ( -3.840 -0.301 0.690) 3.913 19.707 ( -2.379 -3.156 -3.895) 5.549 22.569 ( 15.239 -0.635 4.604) 15.932 22.782 ( 15.112 1.344 -5.928) 16.289 23.293 ( 2.920 -4.738 0.327) 5.575 23.358 ( 3.668 -4.959 -3.112) 6.909 24.357 ( 0.868 1.494 19.215) 19.292 25.072 ( 0.742 -1.427 -15.331) 15.415 26.604 ( 3.704 -1.064 7.741) 8.647 26.883 ( 4.416 -1.947 -5.675) 7.450 48.115 ( 5.497 -0.492 4.162) 6.913 48.301 ( 1.838 -1.333 -4.857) 5.362 48.529 ( -10.918 -0.750 1.270) 11.017 48.563 ( -14.956 -0.204 -0.583) 14.969 97.600 ( -0.670 -0.566 2.641) 2.782 97.715 ( 0.058 -3.103 -2.732) 4.135 98.164 ( 1.238 0.439 1.453) 1.959 98.230 ( -0.459 -0.884 -1.571) 1.860 98.950 ( -1.335 -1.407 3.278) 3.809 99.161 ( -0.486 -1.337 -6.943) 7.087 102.982 ( 3.317 0.216 18.473) 18.770 103.671 ( 2.573 -0.166 -14.470) 14.697======================= Grid point 331 (112/168) =======================q-point: (-0.50 0.30 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 210Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.130 ( 0.000 -1.419 13.718) 13.791 2.422 ( 0.000 -3.128 6.422) 7.143 2.611 ( 0.000 -9.779 8.428) 12.910 2.749 ( 0.000 0.574 -6.682) 6.707 2.860 ( 0.000 -8.997 8.303) 12.243 2.930 ( -0.000 -0.849 -7.166) 7.217 3.121 ( 0.000 -0.687 5.835) 5.875 3.685 ( 0.000 2.504 -5.154) 5.730 4.001 ( 0.000 -2.473 2.709) 3.669 4.223 ( 0.000 -2.837 2.535) 3.804 4.323 ( 0.000 -0.732 -12.282) 12.303 4.452 ( 0.000 0.398 -8.933) 8.942 5.115 ( 0.000 1.948 2.953) 3.538 5.212 ( 0.000 0.311 -1.469) 1.501 5.575 ( 0.000 2.672 4.942) 5.618 5.918 ( 0.000 0.780 -11.789) 11.815 5.934 ( -0.000 0.640 3.421) 3.481 6.042 ( 0.000 0.327 -1.803) 1.833 8.172 ( 0.000 2.298 6.370) 6.772 8.304 ( 0.000 -0.272 9.415) 9.419 8.459 ( 0.000 1.077 -3.851) 3.999 8.711 ( 0.000 -1.002 3.191) 3.345 8.730 ( 0.000 -1.628 -5.331) 5.574 8.824 ( 0.000 -1.590 -2.162) 2.684 18.995 ( 0.000 0.655 10.047) 10.068 19.427 ( 0.000 1.060 -10.331) 10.385 19.552 ( 0.000 -0.458 2.388) 2.432 19.682 ( 0.000 -3.507 -3.873) 5.225 22.731 ( 0.000 -0.697 4.486) 4.540 22.945 ( 0.000 1.282 -6.258) 6.388 23.317 ( 0.000 -4.930 0.612) 4.967 23.388 ( 0.000 -4.658 -2.905) 5.489 24.366 ( 0.000 1.906 18.997) 19.092 25.080 ( 0.000 -1.379 -15.434) 15.495 26.641 ( 0.000 -1.111 7.957) 8.034 26.928 ( 0.000 -1.969 -5.798) 6.123 48.227 ( 0.000 -0.196 3.862) 3.867 48.344 ( 0.000 -0.531 0.262) 0.592 48.355 ( 0.000 -0.906 -0.282) 0.949 48.390 ( -0.000 -1.485 -3.840) 4.117 97.593 ( 0.000 -0.544 2.763) 2.816 97.715 ( 0.000 -3.360 -3.016) 4.515 98.176 ( 0.000 0.213 1.279) 1.297 98.224 ( 0.000 -0.508 -0.912) 1.044 98.937 ( 0.000 -1.133 3.458) 3.639 99.157 ( 0.000 -0.971 -7.252) 7.316 103.017 ( 0.000 0.194 18.159) 18.160 103.698 ( 0.000 -0.157 -14.411) 14.412======================= Grid point 338 (113/168) =======================q-point: ( 0.00 0.40 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 224Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.724 ( 0.000 12.301 2.029) 12.467 1.814 ( 0.000 8.265 -2.235) 8.562 1.891 ( 0.000 13.405 4.877) 14.265 2.017 ( 0.000 16.584 -0.337) 16.588 2.572 ( 0.000 -5.865 1.509) 6.056 2.630 ( 0.000 -8.101 -1.278) 8.201 2.790 ( 0.000 -12.329 11.203) 16.659 3.029 ( 0.000 -14.557 1.095) 14.598 3.598 ( 0.000 18.459 16.147) 24.525 4.177 ( 0.000 -0.776 -11.302) 11.329 4.666 ( 0.000 1.191 1.292) 1.757 4.901 ( 0.000 -10.244 -6.976) 12.394 4.932 ( 0.000 -0.083 0.132) 0.156 4.937 ( 0.000 -0.034 -0.115) 0.119 5.371 ( 0.000 0.886 5.255) 5.329 5.695 ( 0.000 0.804 -10.025) 10.058 6.075 ( 0.000 -2.174 -1.568) 2.681 6.341 ( 0.000 -5.143 -13.303) 14.263 7.516 ( 0.000 -0.083 0.069) 0.108 7.519 ( 0.000 -0.041 -0.082) 0.092 8.585 ( 0.000 0.239 14.471) 14.473 8.886 ( 0.000 0.374 -1.084) 1.147 9.163 ( 0.000 1.214 3.961) 4.142 9.292 ( 0.000 0.449 -2.787) 2.823 19.073 ( 0.000 -0.410 7.986) 7.996 19.415 ( 0.000 -0.799 -7.895) 7.935 20.162 ( 0.000 -3.445 9.009) 9.645 20.390 ( 0.000 0.212 -0.846) 0.873 20.413 ( 0.000 -0.073 -2.409) 2.411 20.572 ( 0.000 -2.091 -11.178) 11.372 22.181 ( 0.000 0.577 10.198) 10.214 22.532 ( 0.000 0.598 -6.848) 6.874 24.240 ( 0.000 -2.521 26.478) 26.598 25.164 ( 0.000 -3.364 -18.413) 18.718 25.914 ( 0.000 1.104 0.283) 1.140 25.929 ( 0.000 1.011 -0.457) 1.109 48.017 ( 0.000 -0.057 5.799) 5.800 48.293 ( 0.000 -0.385 -7.510) 7.520 49.763 ( 0.000 0.284 8.081) 8.086 50.072 ( 0.000 0.165 -6.866) 6.868 97.395 ( 0.000 0.164 0.158) 0.227 97.402 ( 0.000 0.178 -0.158) 0.238 97.974 ( 0.000 3.244 6.130) 6.936 98.238 ( 0.000 1.803 -5.922) 6.190 99.111 ( 0.000 -2.306 0.302) 2.326 99.265 ( 0.000 -9.622 -5.006) 10.846 102.621 ( 0.000 1.285 23.876) 23.910 103.463 ( 0.000 -0.768 -16.435) 16.452======================= Grid point 339 (114/168) =======================q-point: ( 0.08 0.40 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 360Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.795 ( 4.079 13.838 3.172) 14.772 1.896 ( 5.389 8.366 -0.642) 9.972 2.007 ( 11.585 12.464 2.954) 17.271 2.082 ( 8.754 11.390 0.833) 14.390 2.617 ( 3.612 -8.119 1.060) 8.949 2.653 ( 1.533 -8.939 0.431) 9.080 2.888 ( 10.142 -9.647 7.788) 16.018 3.065 ( 4.053 -12.400 2.528) 13.289 3.588 ( -0.427 16.953 14.149) 22.086 4.129 ( -4.453 -0.973 -10.506) 11.453 4.625 ( -3.623 1.548 0.382) 3.959 4.798 ( -6.539 -4.962 -5.049) 9.637 4.957 ( 1.671 -0.421 0.372) 1.763 4.994 ( 2.741 -3.575 -1.598) 4.780 5.412 ( 3.856 0.815 4.822) 6.228 5.707 ( 1.246 0.927 -9.367) 9.495 6.030 ( -3.924 -2.265 -0.462) 4.554 6.305 ( -3.170 -4.000 -13.186) 14.140 7.613 ( 8.822 -0.328 0.288) 8.833 7.641 ( 11.110 -0.624 -1.069) 11.179 8.562 ( -2.135 0.201 14.362) 14.522 8.866 ( -1.921 0.216 -1.322) 2.342 9.103 ( -5.621 1.062 3.769) 6.850 9.228 ( -5.981 0.436 -2.664) 6.562 19.068 ( -0.538 -0.326 8.133) 8.158 19.410 ( -0.481 -0.784 -7.664) 7.719 20.037 ( -7.839 -2.558 4.190) 9.249 20.211 ( -10.651 -0.707 -5.196) 11.872 20.629 ( 18.515 -0.795 3.726) 18.903 20.874 ( 20.829 -0.570 -8.140) 22.370 22.289 ( 10.156 -0.378 8.239) 13.083 22.593 ( 5.826 0.162 -6.208) 8.515 24.240 ( 0.151 -2.199 25.598) 25.693 25.117 ( -3.738 -2.642 -16.923) 17.531 25.987 ( 5.835 0.976 0.637) 5.951 26.029 ( 9.885 0.132 -1.478) 9.996 48.012 ( -0.433 -0.081 5.790) 5.807 48.288 ( -0.466 -0.421 -7.525) 7.551 49.679 ( -8.163 0.259 7.811) 11.301 49.974 ( -9.474 0.245 -6.491) 11.487 97.440 ( 3.578 0.099 0.196) 3.585 97.455 ( 5.267 -0.562 -0.593) 5.330 97.982 ( 0.923 3.107 5.815) 6.657 98.231 ( -0.665 1.481 -5.550) 5.782 99.098 ( -1.222 -2.149 0.190) 2.480 99.244 ( -1.956 -8.740 -4.808) 10.166 102.638 ( 1.697 1.167 23.344) 23.434 103.461 ( -0.017 -0.572 -16.094) 16.104======================= Grid point 340 (115/168) =======================q-point: ( 0.17 0.40 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 364Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.847 ( 1.896 11.943 5.949) 13.477 2.010 ( 6.264 7.323 -0.880) 9.677 2.204 ( 6.840 9.963 7.453) 14.199 2.392 ( 17.916 6.542 -0.990) 19.099 2.665 ( 0.642 -9.531 -0.351) 9.559 2.710 ( 4.739 -11.373 -1.198) 12.379 3.135 ( 8.440 -5.429 10.561) 14.568 3.222 ( 14.726 -6.461 5.037) 16.852 3.621 ( 4.783 10.833 5.197) 12.932 4.017 ( -5.986 -1.232 -9.073) 10.939 4.536 ( -4.891 2.329 -1.211) 5.551 4.664 ( -6.398 -2.937 -5.502) 8.934 4.987 ( 1.327 -0.640 1.494) 2.099 5.044 ( 2.265 -1.820 -1.518) 3.278 5.513 ( 5.769 0.559 3.895) 6.983 5.741 ( 1.726 0.836 -7.850) 8.081 5.943 ( -3.934 -2.069 1.819) 4.803 6.228 ( -4.206 -2.266 -12.694) 13.563 7.834 ( 11.987 -0.326 1.023) 12.035 7.909 ( 14.201 -1.141 -2.555) 14.474 8.505 ( -3.314 0.050 13.949) 14.337 8.812 ( -3.348 -0.246 -1.914) 3.864 8.958 ( -7.987 0.584 3.095) 8.586 9.073 ( -8.670 0.386 -2.340) 8.989 19.053 ( -0.911 -0.116 8.515) 8.564 19.397 ( -0.721 -0.690 -7.143) 7.213 19.890 ( -6.719 -2.159 1.834) 7.292 20.023 ( -8.158 -0.539 -5.449) 9.825 21.078 ( 25.419 -0.615 5.540) 26.023 21.347 ( 25.660 0.242 -7.360) 26.695 22.556 ( 15.404 -2.058 3.989) 16.045 22.752 ( 9.420 -0.850 -4.581) 10.509 24.252 ( 1.221 -1.439 23.565) 23.641 25.049 ( -2.521 -1.735 -15.272) 15.576 26.140 ( 8.812 0.359 2.712) 9.227 26.267 ( 12.820 -0.691 -3.442) 13.292 48.003 ( -0.415 -0.153 5.718) 5.735 48.276 ( -0.680 -0.529 -7.523) 7.572 49.448 ( -14.346 0.164 7.049) 15.985 49.705 ( -16.680 0.355 -5.498) 17.567 97.525 ( 4.295 -0.071 0.751) 4.360 97.570 ( 5.098 -1.639 -1.407) 5.537 98.018 ( 2.753 2.621 4.542) 5.922 98.216 ( -0.685 0.554 -4.442) 4.528 99.062 ( -2.342 -1.962 0.239) 3.065 99.196 ( -2.467 -6.289 -4.733) 8.249 102.692 ( 3.753 0.850 22.028) 22.362 103.473 ( 1.444 -0.259 -15.405) 15.474======================= Grid point 341 (116/168) =======================q-point: ( 0.25 0.40 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 360Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.897 ( 3.356 6.274 9.370) 11.765 2.142 ( 5.858 6.261 1.565) 8.716 2.288 ( 3.230 5.753 6.921) 9.562 2.641 ( 2.052 -4.757 -4.899) 7.130 2.743 ( 9.459 -1.960 -0.723) 9.687 2.799 ( 4.742 -7.573 0.250) 8.938 3.196 ( -0.506 -2.384 17.660) 17.827 3.585 ( 17.905 -3.083 2.920) 18.402 3.761 ( 6.855 3.299 -3.205) 8.255 3.921 ( -2.538 -1.552 -8.411) 8.922 4.439 ( -4.549 3.013 -2.360) 5.945 4.555 ( -4.203 -1.356 -6.861) 8.160 5.023 ( 2.511 0.675 2.495) 3.603 5.089 ( 2.370 -0.731 -1.253) 2.779 5.628 ( 5.124 0.808 2.671) 5.835 5.748 ( -1.179 -0.837 -3.459) 3.749 5.910 ( 1.095 -0.406 1.217) 1.687 6.143 ( -4.075 -1.132 -11.333) 12.096 8.055 ( 9.079 -0.088 2.368) 9.384 8.175 ( 11.591 -0.295 -3.212) 12.031 8.438 ( -3.130 -0.260 12.950) 13.326 8.736 ( -4.067 -0.852 -2.366) 4.782 8.813 ( -5.647 -0.139 1.612) 5.874 8.910 ( -6.924 0.216 -1.963) 7.200 19.034 ( -0.916 0.113 9.019) 9.066 19.386 ( -0.282 -0.461 -6.762) 6.784 19.766 ( -5.557 -1.799 0.738) 5.887 19.874 ( -6.760 -0.371 -5.299) 8.598 21.621 ( 27.629 -0.352 5.797) 28.233 21.884 ( 26.986 0.631 -6.750) 27.825 22.870 ( 14.877 -2.933 0.189) 15.165 22.950 ( 9.774 -1.921 -2.605) 10.297 24.290 ( 2.370 -0.531 21.277) 21.415 25.021 ( -0.313 -1.247 -14.513) 14.570 26.322 ( 8.815 -0.145 4.758) 10.018 26.518 ( 11.587 -1.068 -4.578) 12.504 48.001 ( 0.429 -0.251 5.456) 5.478 48.263 ( -0.501 -0.680 -7.329) 7.378 49.125 ( -17.047 -0.014 5.861) 18.026 49.327 ( -20.193 0.324 -4.114) 20.611 97.592 ( 2.051 -0.004 1.035) 2.297 97.640 ( 1.971 -2.073 -1.189) 3.098 98.087 ( 3.599 1.902 2.581) 4.820 98.208 ( -0.089 -0.652 -2.797) 2.874 99.008 ( -2.827 -1.819 1.045) 3.520 99.156 ( -1.382 -3.368 -5.549) 6.637 102.786 ( 5.359 0.479 20.492) 21.187 103.523 ( 3.370 -0.121 -14.833) 15.211======================= Grid point 342 (117/168) =======================q-point: ( 0.33 0.40 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 364Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.985 ( 5.196 0.202 12.562) 13.596 2.206 ( 1.291 6.907 10.052) 12.265 2.404 ( 7.944 0.129 -2.196) 8.243 2.641 ( -1.471 -8.994 -1.440) 9.227 2.788 ( 0.038 -1.827 -0.256) 1.845 2.965 ( 5.974 -0.054 -5.008) 7.795 3.142 ( -3.944 -3.906 17.423) 18.286 3.799 ( 0.299 -0.152 -6.830) 6.838 3.875 ( 5.235 0.458 1.831) 5.565 3.972 ( 8.619 -2.919 -3.866) 9.887 4.358 ( -3.357 2.298 -3.840) 5.594 4.497 ( -1.744 -0.210 -8.929) 9.100 5.086 ( 3.350 2.184 2.806) 4.885 5.143 ( 2.921 -0.412 -0.277) 2.963 5.664 ( -1.634 1.256 1.765) 2.713 5.771 ( 4.258 -1.364 0.478) 4.496 5.957 ( 2.664 0.774 -0.966) 2.937 6.070 ( -3.111 -0.718 -8.853) 9.411 8.177 ( 3.058 0.297 4.503) 5.451 8.336 ( 2.133 1.662 3.625) 4.522 8.407 ( 2.081 -1.215 4.009) 4.677 8.665 ( -2.217 -1.023 -1.717) 2.985 8.751 ( -0.680 -0.509 -0.481) 0.976 8.806 ( -3.439 -0.601 -1.968) 4.007 19.018 ( -0.614 0.291 9.562) 9.586 19.390 ( 0.792 -0.116 -6.920) 6.966 19.667 ( -4.266 -1.237 0.005) 4.442 19.749 ( -5.685 -0.766 -4.579) 7.340 22.153 ( 24.268 -0.255 5.496) 24.883 22.403 ( 23.631 0.691 -6.484) 24.514 23.117 ( 7.804 -2.344 -0.791) 8.186 23.136 ( 9.544 -3.279 -2.015) 10.291 24.341 ( 2.497 0.344 19.299) 19.463 25.029 ( 0.876 -1.036 -14.244) 14.308 26.481 ( 6.755 -0.455 6.248) 9.213 26.721 ( 8.428 -1.189 -5.199) 9.974 48.028 ( 2.408 -0.321 4.831) 5.407 48.259 ( 0.221 -0.809 -6.566) 6.619 48.789 ( -15.650 -0.249 4.151) 16.192 48.920 ( -19.640 0.140 -2.470) 19.795 97.608 ( -0.185 0.195 1.209) 1.238 97.660 ( 0.213 -2.345 -1.215) 2.650 98.147 ( 2.236 1.348 1.459) 2.990 98.210 ( 0.188 -1.258 -1.300) 1.819 98.957 ( -2.060 -1.304 2.159) 3.257 99.140 ( -0.278 -1.538 -6.685) 6.866 102.897 ( 5.297 0.227 19.190) 19.909 103.599 ( 3.938 -0.102 -14.487) 15.013======================= Grid point 343 (118/168) =======================q-point: ( 0.42 0.40 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 360Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.082 ( 3.482 -1.978 15.145) 15.666 2.251 ( 4.257 2.086 10.039) 11.102 2.524 ( -1.562 -5.770 3.355) 6.854 2.615 ( 4.066 -5.876 0.907) 7.203 2.804 ( 0.990 1.534 -7.825) 8.035 2.961 ( -4.800 -2.534 -1.428) 5.613 3.107 ( 0.236 -1.363 8.938) 9.044 3.763 ( -2.550 1.004 -8.830) 9.246 3.934 ( 1.902 -1.328 4.891) 5.413 4.132 ( 5.030 -2.026 0.975) 5.509 4.314 ( -0.759 0.679 -8.425) 8.486 4.472 ( -0.965 0.239 -10.181) 10.229 5.140 ( 1.847 2.365 2.955) 4.211 5.198 ( 2.192 0.023 0.434) 2.234 5.631 ( -1.167 1.409 3.782) 4.202 5.862 ( 4.232 -0.371 -1.893) 4.651 5.983 ( -1.046 1.201 -4.018) 4.322 6.033 ( 0.078 -0.868 -3.297) 3.410 8.202 ( 0.125 0.547 5.658) 5.685 8.323 ( -1.054 1.162 10.878) 10.991 8.457 ( 1.084 -0.483 -5.313) 5.444 8.664 ( 1.660 -0.557 -0.201) 1.763 8.739 ( -1.521 -0.098 -2.239) 2.709 8.780 ( 0.858 -1.624 -1.695) 2.499 19.009 ( -0.260 0.406 10.027) 10.039 19.418 ( 1.801 0.314 -8.125) 8.329 19.592 ( -3.207 -0.087 -0.380) 3.230 19.653 ( -3.478 -2.118 -3.108) 5.123 22.560 ( 15.178 -0.273 5.139) 16.027 22.801 ( 15.016 0.628 -6.680) 16.447 23.217 ( 2.564 -2.859 0.541) 3.878 23.279 ( 4.086 -2.908 -2.841) 5.764 24.383 ( 1.505 0.999 18.033) 18.123 25.048 ( 0.812 -0.956 -14.188) 14.244 26.587 ( 3.598 -0.615 7.112) 7.994 26.851 ( 4.386 -1.228 -5.523) 7.159 48.107 ( 5.619 -0.297 3.772) 6.774 48.279 ( 1.923 -0.833 -4.623) 5.076 48.517 ( -11.010 -0.467 1.557) 11.129 48.559 ( -15.585 -0.154 -0.727) 15.603 97.597 ( -0.597 0.336 1.351) 1.515 97.657 ( -0.280 -2.645 -1.475) 3.041 98.177 ( 0.767 0.774 1.127) 1.568 98.213 ( 0.083 -0.919 -0.498) 1.048 98.928 ( -0.902 -0.838 2.966) 3.211 99.140 ( 0.106 -0.776 -7.394) 7.436 102.986 ( 3.263 0.125 18.356) 18.644 103.668 ( 2.583 -0.096 -14.305) 14.537======================= Grid point 344 (119/168) =======================q-point: (-0.50 0.40 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 212Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.113 ( 0.000 -0.280 15.529) 15.531 2.347 ( 0.000 -3.838 8.877) 9.671 2.435 ( 0.000 -7.290 9.211) 11.747 2.722 ( 0.000 -4.919 5.962) 7.730 2.785 ( 0.000 2.768 -9.755) 10.140 2.901 ( 0.000 -2.191 -9.454) 9.705 3.108 ( 0.000 -0.539 7.643) 7.662 3.731 ( 0.000 2.026 -8.320) 8.563 3.955 ( 0.000 -2.016 5.861) 6.198 4.174 ( 0.000 -1.982 3.941) 4.411 4.315 ( 0.000 -0.136 -12.144) 12.145 4.461 ( 0.000 0.402 -10.551) 10.559 5.159 ( 0.000 2.199 3.102) 3.802 5.221 ( 0.000 0.258 0.618) 0.670 5.620 ( 0.000 1.705 4.549) 4.858 5.930 ( 0.000 0.381 -10.789) 10.796 5.942 ( -0.000 0.197 3.186) 3.192 6.041 ( 0.000 -0.317 -1.630) 1.660 8.201 ( 0.000 0.654 5.868) 5.904 8.312 ( 0.000 1.086 11.240) 11.292 8.464 ( 0.000 -0.489 -5.998) 6.018 8.699 ( 0.000 -0.239 2.555) 2.566 8.708 ( -0.000 -0.567 -4.959) 4.991 8.794 ( 0.000 -1.314 -1.912) 2.321 19.007 ( 0.000 0.448 10.220) 10.230 19.445 ( 0.000 0.666 -10.461) 10.483 19.551 ( 0.000 0.442 1.004) 1.097 19.618 ( 0.000 -2.947 -2.216) 3.687 22.722 ( 0.000 -0.248 5.003) 5.009 22.963 ( 0.000 0.644 -7.062) 7.091 23.237 ( 0.000 -3.048 0.991) 3.205 23.313 ( 0.000 -2.816 -2.764) 3.945 24.398 ( 0.000 1.245 17.621) 17.665 25.057 ( 0.000 -0.935 -14.190) 14.221 26.623 ( 0.000 -0.665 7.392) 7.422 26.896 ( 0.000 -1.238 -5.626) 5.761 48.225 ( 0.000 -0.075 3.326) 3.326 48.335 ( 0.000 -0.303 0.109) 0.322 48.340 ( 0.000 -0.593 -0.125) 0.606 48.365 ( -0.000 -0.976 -3.321) 3.461 97.590 ( 0.000 0.389 1.405) 1.458 97.654 ( 0.000 -2.782 -1.589) 3.204 98.183 ( 0.000 0.484 1.083) 1.186 98.213 ( 0.000 -0.596 -0.294) 0.665 98.919 ( 0.000 -0.683 3.249) 3.320 99.141 ( 0.000 -0.585 -7.605) 7.628 103.020 ( 0.000 0.105 18.073) 18.073 103.695 ( 0.000 -0.091 -14.248) 14.248======================= Grid point 351 (120/168) =======================q-point: ( 0.00 -0.50 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 126Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.860 ( 0.000 0.000 0.975) 0.975 1.904 ( 0.000 0.000 -1.090) 1.090 2.093 ( 0.000 -0.000 6.917) 6.917 2.186 ( 0.000 0.000 3.724) 3.724 2.507 ( 0.000 0.000 0.697) 0.697 2.534 ( 0.000 0.000 -0.596) 0.596 2.660 ( 0.000 0.000 5.873) 5.873 2.808 ( 0.000 -0.000 3.405) 3.405 3.855 ( 0.000 -0.000 7.747) 7.747 4.119 ( 0.000 0.000 -4.021) 4.021 4.715 ( 0.000 -0.000 0.685) 0.685 4.746 ( 0.000 0.000 -3.821) 3.821 4.931 ( 0.000 0.000 0.144) 0.144 4.937 ( 0.000 0.000 -0.128) 0.128 5.383 ( 0.000 0.000 5.006) 5.006 5.703 ( 0.000 0.000 -9.509) 9.509 6.062 ( 0.000 0.000 -4.083) 4.083 6.282 ( 0.000 0.000 -14.657) 14.657 7.515 ( 0.000 0.000 0.097) 0.097 7.519 ( 0.000 0.000 -0.110) 0.110 8.588 ( 0.000 0.000 14.691) 14.691 8.889 ( 0.000 0.000 -1.175) 1.175 9.175 ( 0.000 0.000 3.692) 3.692 9.296 ( 0.000 0.000 -2.563) 2.563 19.069 ( 0.000 0.000 7.961) 7.961 19.407 ( 0.000 0.000 -7.705) 7.705 20.128 ( 0.000 0.000 8.899) 8.899 20.392 ( 0.000 0.000 -0.888) 0.888 20.412 ( 0.000 0.000 -2.607) 2.607 20.551 ( 0.000 0.000 -11.866) 11.866 22.187 ( 0.000 0.000 10.256) 10.256 22.538 ( 0.000 0.000 -6.815) 6.815 24.216 ( 0.000 0.000 25.800) 25.800 25.131 ( 0.000 0.000 -18.444) 18.444 25.925 ( 0.000 0.000 0.249) 0.249 25.940 ( 0.000 0.000 -0.437) 0.437 48.017 ( 0.000 0.000 5.716) 5.716 48.289 ( 0.000 0.000 -7.447) 7.447 49.766 ( 0.000 0.000 8.109) 8.109 50.073 ( 0.000 0.000 -6.729) 6.729 97.397 ( 0.000 0.000 0.161) 0.161 97.403 ( 0.000 0.000 -0.162) 0.162 98.009 ( 0.000 0.000 6.444) 6.444 98.254 ( 0.000 0.000 -4.418) 4.418 99.116 ( 0.000 0.000 -3.197) 3.197 99.142 ( 0.000 -0.000 -3.888) 3.888 102.634 ( 0.000 0.000 23.241) 23.241 103.455 ( 0.000 0.000 -16.052) 16.052======================= Grid point 353 (121/168) =======================q-point: ( 0.08 -0.50 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 216Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.956 ( 5.735 0.000 2.728) 6.350 1.998 ( 6.450 0.000 0.458) 6.466 2.173 ( 9.454 -0.000 3.850) 10.207 2.208 ( 4.383 0.000 2.171) 4.891 2.510 ( -0.391 -0.000 2.003) 2.040 2.530 ( 0.799 0.000 1.113) 1.370 2.801 ( 12.607 0.000 4.249) 13.304 2.888 ( 7.972 -0.000 3.973) 8.908 3.819 ( -3.029 0.000 6.909) 7.544 4.077 ( -3.913 0.000 -4.217) 5.753 4.672 ( -3.676 -0.000 0.061) 3.677 4.696 ( -4.226 0.000 -4.075) 5.870 4.953 ( 1.225 0.000 0.307) 1.263 4.966 ( 2.888 0.000 -0.267) 2.900 5.422 ( 3.694 0.000 4.794) 6.052 5.716 ( 1.311 0.000 -8.901) 8.997 6.014 ( -4.189 0.000 -2.531) 4.894 6.260 ( -2.098 0.000 -14.518) 14.669 7.610 ( 8.800 0.000 0.275) 8.804 7.635 ( 10.567 0.000 -0.924) 10.607 8.565 ( -2.176 0.000 14.580) 14.741 8.868 ( -2.077 0.000 -1.396) 2.503 9.114 ( -5.777 0.000 3.506) 6.758 9.232 ( -5.994 0.000 -2.504) 6.496 19.064 ( -0.457 0.000 8.111) 8.124 19.402 ( -0.460 0.000 -7.448) 7.462 20.011 ( -7.571 0.000 4.385) 8.749 20.204 ( -10.715 0.000 -5.806) 12.187 20.621 ( 18.469 0.000 3.539) 18.805 20.869 ( 21.306 0.000 -8.521) 22.947 22.286 ( 9.376 0.000 8.531) 12.677 22.595 ( 5.432 0.000 -6.221) 8.258 24.219 ( 0.422 0.000 25.053) 25.056 25.090 ( -3.229 0.000 -17.045) 17.348 25.998 ( 5.511 0.000 0.433) 5.528 26.030 ( 9.452 0.000 -1.259) 9.536 48.012 ( -0.458 0.000 5.703) 5.721 48.284 ( -0.503 0.000 -7.459) 7.476 49.682 ( -8.190 0.000 7.852) 11.346 49.976 ( -9.409 0.000 -6.400) 11.379 97.441 ( 3.488 0.000 0.053) 3.488 97.449 ( 4.694 0.000 -0.350) 4.707 98.016 ( 0.761 0.000 6.058) 6.106 98.243 ( -0.966 0.000 -4.106) 4.218 99.098 ( -1.800 0.000 -2.651) 3.204 99.138 ( -0.412 -0.000 -4.155) 4.176 102.649 ( 1.583 0.000 22.788) 22.843 103.455 ( 0.145 0.000 -15.785) 15.785======================= Grid point 355 (122/168) =======================q-point: ( 0.17 -0.50 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 216Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.988 ( -1.000 0.000 6.894) 6.967 2.107 ( 5.144 0.000 0.428) 5.162 2.363 ( 7.336 0.000 1.094) 7.417 2.442 ( 9.305 -0.000 -1.081) 9.368 2.495 ( 4.666 -0.000 4.814) 6.705 2.594 ( 5.765 0.000 -0.259) 5.771 3.082 ( 8.892 0.000 9.649) 13.121 3.136 ( 19.844 0.000 3.887) 20.221 3.769 ( -0.729 0.000 2.166) 2.285 3.980 ( -5.081 0.000 -5.519) 7.502 4.584 ( -4.882 -0.000 -1.220) 5.032 4.602 ( -4.645 0.000 -4.924) 6.769 4.981 ( 1.683 0.000 1.419) 2.201 5.027 ( 2.898 0.000 -0.936) 3.046 5.520 ( 5.667 0.000 4.106) 6.998 5.748 ( 1.340 0.000 -7.642) 7.759 5.925 ( -3.640 0.000 0.704) 3.708 6.203 ( -3.371 0.000 -13.688) 14.097 7.831 ( 12.042 0.000 0.880) 12.074 7.897 ( 14.260 0.000 -2.252) 14.437 8.506 ( -3.425 0.000 14.196) 14.603 8.809 ( -3.634 0.000 -1.959) 4.129 8.964 ( -8.317 0.000 2.918) 8.814 9.077 ( -8.690 0.000 -2.369) 9.007 19.051 ( -0.791 0.000 8.497) 8.534 19.390 ( -0.640 0.000 -6.894) 6.923 19.868 ( -6.563 0.000 2.046) 6.874 20.018 ( -8.014 0.000 -6.034) 10.031 21.072 ( 25.551 0.000 5.545) 26.146 21.349 ( 25.947 0.000 -7.779) 27.088 22.537 ( 14.704 0.000 4.555) 15.393 22.743 ( 8.874 0.000 -4.662) 10.024 24.239 ( 1.628 0.000 23.239) 23.296 25.031 ( -2.183 0.000 -15.299) 15.454 26.144 ( 8.516 0.000 2.394) 8.846 26.261 ( 12.518 0.000 -3.252) 12.934 48.001 ( -0.460 0.000 5.620) 5.639 48.271 ( -0.749 0.000 -7.448) 7.485 49.449 ( -14.414 0.000 7.118) 16.076 49.709 ( -16.649 0.000 -5.495) 17.533 97.525 ( 4.321 0.000 0.378) 4.337 97.552 ( 4.636 0.000 -0.897) 4.722 98.046 ( 2.408 0.000 4.631) 5.220 98.219 ( -1.244 0.000 -3.129) 3.367 99.049 ( -2.861 0.000 -1.245) 3.121 99.128 ( -0.455 0.000 -4.922) 4.943 102.701 ( 3.566 0.000 21.652) 21.943 103.470 ( 1.567 0.000 -15.226) 15.306======================= Grid point 357 (123/168) =======================q-point: ( 0.25 -0.50 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 216Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.970 ( -0.229 0.000 9.769) 9.771 2.220 ( 5.928 0.000 -2.164) 6.311 2.419 ( -2.169 0.000 5.046) 5.492 2.459 ( 2.853 -0.000 2.506) 3.798 2.713 ( 4.605 0.000 -0.600) 4.644 2.776 ( 13.361 0.000 -2.586) 13.609 3.166 ( -0.763 0.000 18.230) 18.246 3.546 ( 19.118 0.000 2.436) 19.273 3.814 ( 4.218 0.000 -2.935) 5.139 3.896 ( -2.754 0.000 -8.528) 8.962 4.482 ( -5.089 0.000 -2.567) 5.700 4.526 ( -2.611 0.000 -6.666) 7.159 5.031 ( 3.471 0.000 2.244) 4.133 5.081 ( 2.548 0.000 -0.559) 2.609 5.638 ( 5.897 0.000 2.971) 6.603 5.736 ( -2.565 0.000 -3.208) 4.108 5.908 ( 1.952 0.000 0.488) 2.012 6.131 ( -3.642 0.000 -11.820) 12.368 8.054 ( 9.216 0.000 2.285) 9.495 8.172 ( 12.361 0.000 -3.369) 12.812 8.436 ( -3.397 0.000 13.481) 13.902 8.727 ( -4.313 0.000 -2.423) 4.947 8.811 ( -6.030 0.000 1.718) 6.270 8.912 ( -7.088 0.000 -2.291) 7.449 19.035 ( -0.811 0.000 9.011) 9.048 19.381 ( -0.131 0.000 -6.536) 6.537 19.747 ( -5.379 0.000 1.006) 5.472 19.871 ( -6.762 0.000 -5.822) 8.923 21.617 ( 27.726 0.000 5.908) 28.349 21.890 ( 27.085 0.000 -7.090) 27.997 22.842 ( 14.699 0.000 0.650) 14.713 22.932 ( 9.275 0.000 -2.657) 9.648 24.285 ( 2.815 0.000 21.029) 21.216 25.008 ( -0.156 0.000 -14.347) 14.348 26.321 ( 8.606 0.000 4.410) 9.670 26.507 ( 11.474 0.000 -4.462) 12.311 47.999 ( 0.382 0.000 5.344) 5.358 48.257 ( -0.577 0.000 -7.239) 7.262 49.125 ( -17.152 0.000 5.953) 18.156 49.330 ( -20.247 0.000 -4.171) 20.672 97.596 ( 2.413 0.000 0.329) 2.435 97.615 ( 1.552 0.000 -0.490) 1.628 98.108 ( 3.358 0.000 2.416) 4.136 98.199 ( -0.681 0.000 -1.607) 1.745 98.990 ( -2.748 0.000 0.460) 2.786 99.122 ( -0.077 0.000 -5.996) 5.996 102.791 ( 5.193 0.000 20.290) 20.944 103.521 ( 3.402 0.000 -14.736) 15.123======================= Grid point 359 (124/168) =======================q-point: ( 0.33 -0.50 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 216Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.990 ( 2.287 0.000 12.464) 12.672 2.309 ( 1.392 0.000 2.349) 2.731 2.427 ( 4.528 0.000 0.924) 4.622 2.482 ( -0.911 -0.000 5.751) 5.823 2.774 ( 2.221 0.000 -2.821) 3.590 2.974 ( 5.285 0.000 -6.825) 8.632 3.101 ( -3.860 0.000 19.231) 19.615 3.787 ( 1.657 0.000 -7.323) 7.508 3.886 ( 2.503 0.000 1.581) 2.960 3.944 ( 9.819 0.000 -2.981) 10.262 4.385 ( -4.347 0.000 -4.361) 6.157 4.493 ( -1.057 0.000 -9.114) 9.175 5.116 ( 4.492 0.000 2.179) 4.992 5.132 ( 2.377 0.000 0.897) 2.541 5.680 ( -2.463 0.000 1.248) 2.761 5.754 ( 5.515 0.000 1.116) 5.627 5.966 ( 3.089 0.000 -0.924) 3.224 6.062 ( -3.203 0.000 -9.118) 9.664 8.179 ( 3.185 0.000 4.476) 5.494 8.372 ( 7.029 -0.000 -5.059) 8.661 8.376 ( -2.416 0.000 12.717) 12.945 8.655 ( -2.081 0.000 -1.634) 2.646 8.744 ( -0.609 0.000 -0.201) 0.641 8.801 ( -4.040 0.000 -2.479) 4.740 19.021 ( -0.540 0.000 9.577) 9.592 19.389 ( 0.991 0.000 -6.779) 6.851 19.653 ( -3.926 0.000 0.312) 3.938 19.742 ( -6.046 0.000 -4.990) 7.839 22.151 ( 24.277 0.000 5.651) 24.927 22.409 ( 23.615 0.000 -6.738) 24.558 23.097 ( 6.654 -0.000 -0.746) 6.696 23.101 ( 10.498 0.000 -1.824) 10.655 24.344 ( 2.892 0.000 18.961) 19.181 25.018 ( 0.937 0.000 -13.904) 13.935 26.477 ( 6.635 0.000 5.948) 8.911 26.709 ( 8.395 0.000 -5.120) 9.833 48.024 ( 2.391 0.000 4.703) 5.276 48.251 ( 0.176 0.000 -6.461) 6.463 48.786 ( -15.771 0.000 4.251) 16.334 48.921 ( -19.756 0.000 -2.548) 19.920 97.621 ( 0.219 -0.000 0.049) 0.225 97.625 ( -0.252 0.000 -0.091) 0.268 98.167 ( 2.239 0.000 0.891) 2.410 98.192 ( -0.119 0.000 -0.177) 0.213 98.944 ( -1.778 0.000 1.927) 2.622 99.125 ( 0.306 0.000 -6.978) 6.984 102.899 ( 5.211 0.000 19.098) 19.796 103.598 ( 3.941 0.000 -14.420) 14.949======================= Grid point 361 (125/168) =======================q-point: ( 0.42 -0.50 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 216Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.057 ( 4.036 0.000 14.827) 15.366 2.308 ( -0.414 0.000 8.079) 8.089 2.421 ( -4.414 -0.000 9.543) 10.514 2.564 ( 7.623 0.000 -1.728) 7.816 2.823 ( 2.373 0.000 -7.750) 8.105 2.937 ( -6.070 0.000 -2.506) 6.567 3.093 ( 1.098 0.000 8.178) 8.252 3.771 ( -1.450 0.000 -11.108) 11.202 3.921 ( 1.160 0.000 6.917) 7.014 4.112 ( 5.041 0.000 1.999) 5.423 4.322 ( -1.517 0.000 -8.633) 8.765 4.474 ( -0.795 0.000 -10.662) 10.692 5.171 ( 1.415 0.000 2.237) 2.647 5.192 ( 2.751 0.000 1.937) 3.365 5.645 ( -0.947 0.000 3.580) 3.703 5.857 ( 4.630 0.000 -1.584) 4.893 6.001 ( -2.897 0.000 -5.979) 6.644 6.018 ( 1.843 0.000 -1.394) 2.311 8.205 ( 0.192 0.000 5.724) 5.727 8.340 ( -1.184 0.000 12.337) 12.394 8.448 ( 1.160 0.000 -7.053) 7.148 8.659 ( 1.914 0.000 -0.266) 1.932 8.740 ( -2.236 0.000 -2.511) 3.362 8.762 ( 1.474 0.000 -1.417) 2.044 19.013 ( -0.218 0.000 10.073) 10.075 19.421 ( 2.031 0.000 -8.094) 8.345 19.592 ( -2.107 0.000 -0.252) 2.122 19.631 ( -4.749 0.000 -3.210) 5.732 22.558 ( 15.187 0.000 5.300) 16.085 22.807 ( 15.005 0.000 -6.903) 16.517 23.188 ( 2.379 0.000 0.640) 2.464 23.250 ( 4.203 0.000 -2.780) 5.039 24.393 ( 1.743 0.000 17.544) 17.631 25.038 ( 0.832 0.000 -13.730) 13.755 26.581 ( 3.544 0.000 6.871) 7.732 26.839 ( 4.375 0.000 -5.449) 6.988 48.104 ( 5.669 0.000 3.619) 6.726 48.270 ( 1.950 0.000 -4.530) 4.932 48.512 ( -11.073 0.000 1.663) 11.197 48.558 ( -15.786 0.000 -0.777) 15.805 97.615 ( -0.484 -0.000 -0.044) 0.486 97.616 ( -0.461 0.000 -0.078) 0.467 98.191 ( -0.013 0.000 0.610) 0.610 98.197 ( 0.858 -0.000 0.264) 0.898 98.919 ( -0.746 0.000 2.862) 2.958 99.132 ( 0.307 0.000 -7.560) 7.566 102.987 ( 3.238 0.000 18.313) 18.597 103.667 ( 2.587 0.000 -14.246) 14.479======================= Grid point 363 (126/168) =======================q-point: (-0.50 -0.50 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 126Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.113 ( 0.000 0.000 16.461) 16.461 2.303 ( 0.000 0.000 9.221) 9.221 2.359 ( 0.000 0.000 9.897) 9.897 2.674 ( 0.000 0.000 4.812) 4.812 2.842 ( 0.000 0.000 -11.308) 11.308 2.850 ( 0.000 -0.000 -9.782) 9.782 3.102 ( 0.000 0.000 8.200) 8.200 3.753 ( 0.000 0.000 -11.086) 11.086 3.933 ( 0.000 0.000 8.615) 8.615 4.153 ( 0.000 0.000 4.672) 4.672 4.315 ( 0.000 0.000 -11.989) 11.989 4.465 ( 0.000 0.000 -11.157) 11.157 5.186 ( 0.000 0.000 2.753) 2.753 5.220 ( 0.000 0.000 1.909) 1.909 5.637 ( 0.000 0.000 4.346) 4.346 5.933 ( 0.000 0.000 -10.408) 10.408 5.944 ( -0.000 0.000 2.952) 2.952 6.036 ( 0.000 0.000 -1.536) 1.536 8.205 ( 0.000 0.000 5.990) 5.990 8.328 ( 0.000 0.000 12.207) 12.207 8.455 ( 0.000 0.000 -7.325) 7.325 8.698 ( 0.000 0.000 2.170) 2.170 8.704 ( -0.000 0.000 -4.893) 4.893 8.779 ( 0.000 0.000 -1.679) 1.679 19.011 ( 0.000 0.000 10.281) 10.281 19.452 ( 0.000 0.000 -10.505) 10.505 19.570 ( 0.000 0.000 -0.491) 0.491 19.573 ( 0.000 -0.000 -0.619) 0.619 22.720 ( 0.000 0.000 5.155) 5.155 22.970 ( 0.000 0.000 -7.308) 7.308 23.206 ( 0.000 0.000 1.144) 1.144 23.285 ( 0.000 0.000 -2.734) 2.734 24.411 ( 0.000 0.000 17.060) 17.060 25.047 ( 0.000 0.000 -13.689) 13.689 26.617 ( 0.000 0.000 7.176) 7.176 26.883 ( 0.000 0.000 -5.551) 5.551 48.224 ( 0.000 0.000 3.101) 3.101 48.333 ( 0.000 -0.000 -0.001) 0.001 48.333 ( -0.000 0.000 -0.014) 0.014 48.355 ( -0.000 0.000 -3.103) 3.103 97.610 ( 0.000 -0.000 -0.071) 0.071 97.610 ( 0.000 0.000 -0.089) 0.089 98.191 ( 0.000 0.000 0.830) 0.830 98.205 ( 0.000 0.000 0.108) 0.108 98.912 ( 0.000 0.000 3.176) 3.176 99.135 ( 0.000 0.000 -7.734) 7.734 103.021 ( 0.000 0.000 18.043) 18.043 103.694 ( 0.000 0.000 -14.189) 14.189======================= Grid point 429 (127/168) =======================q-point: ( 0.00 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.947 ( 0.000 0.000 -14.113) 14.113 0.947 ( 0.000 0.000 14.113) 14.113 1.538 ( 0.000 0.000 -21.572) 21.572 1.538 ( 0.000 0.000 21.572) 21.572 2.653 ( 0.000 0.000 -35.208) 35.208 2.653 ( 0.000 0.000 35.208) 35.208 3.008 ( 0.000 0.000 -4.171) 4.171 3.008 ( 0.000 0.000 4.171) 4.171 3.971 ( 0.000 0.000 -11.765) 11.765 3.971 ( 0.000 0.000 11.765) 11.765 4.662 ( 0.000 0.000 -9.647) 9.647 4.662 ( 0.000 0.000 9.647) 9.647 4.937 ( 0.000 0.000 -0.237) 0.237 4.937 ( 0.000 0.000 0.237) 0.237 5.610 ( 0.000 0.000 -6.854) 6.854 5.610 ( 0.000 0.000 6.854) 6.854 6.651 ( 0.000 0.000 -4.326) 4.326 6.651 ( 0.000 0.000 4.326) 4.326 7.524 ( 0.000 0.000 -0.629) 0.629 7.524 ( 0.000 0.000 0.629) 0.629 8.761 ( 0.000 0.000 -1.692) 1.692 8.761 ( 0.000 0.000 1.692) 1.692 9.131 ( 0.000 0.000 -2.480) 2.480 9.131 ( 0.000 0.000 2.480) 2.480 19.293 ( 0.000 0.000 -10.270) 10.270 19.293 ( 0.000 0.000 10.270) 10.270 20.398 ( 0.000 0.000 -0.622) 0.622 20.398 ( 0.000 0.000 0.622) 0.622 20.774 ( 0.000 0.000 -3.533) 3.533 20.774 ( 0.000 0.000 3.533) 3.533 22.306 ( 0.000 0.000 -9.388) 9.388 22.306 ( 0.000 0.000 9.388) 9.388 25.317 ( 0.000 0.000 -11.741) 11.741 25.317 ( 0.000 0.000 11.741) 11.741 25.821 ( 0.000 0.000 -0.291) 0.291 25.821 ( 0.000 0.000 0.291) 0.291 48.167 ( 0.000 0.000 -8.749) 8.749 48.167 ( 0.000 0.000 8.749) 8.749 49.854 ( 0.000 0.000 -5.715) 5.715 49.854 ( 0.000 0.000 5.715) 5.715 97.382 ( 0.000 0.000 -0.144) 0.144 97.382 ( 0.000 0.000 0.144) 0.144 97.802 ( 0.000 0.000 -3.481) 3.481 97.802 ( 0.000 0.000 3.481) 3.481 100.065 ( 0.000 0.000 -20.868) 20.868 100.065 ( 0.000 0.000 20.868) 20.868 103.068 ( 0.000 0.000 -18.870) 18.870 103.068 ( 0.000 0.000 18.870) 18.870======================= Grid point 431 (128/168) =======================q-point: ( 0.08 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 144Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.197 ( 19.900 0.000 -8.205) 21.525 1.197 ( 19.900 0.000 8.205) 21.525 1.639 ( 10.229 0.000 -17.478) 20.251 1.639 ( 10.229 0.000 17.478) 20.251 2.656 ( 1.279 0.000 -31.975) 32.001 2.656 ( 1.279 0.000 31.975) 32.001 3.153 ( 12.873 0.000 -3.458) 13.329 3.153 ( 12.873 0.000 3.458) 13.329 3.950 ( -1.969 0.000 -12.140) 12.299 3.950 ( -1.969 0.000 12.140) 12.299 4.569 ( -7.320 0.000 -9.778) 12.215 4.569 ( -7.320 0.000 9.778) 12.215 4.996 ( 3.849 0.000 -1.211) 4.035 4.996 ( 3.849 0.000 1.211) 4.035 5.620 ( 1.126 0.000 -6.585) 6.680 5.620 ( 1.126 0.000 6.585) 6.680 6.510 ( -11.262 0.000 -2.940) 11.639 6.510 ( -11.262 0.000 2.940) 11.639 7.673 ( 11.977 0.000 -0.920) 12.013 7.673 ( 11.977 0.000 0.920) 12.013 8.747 ( -1.378 0.000 -2.425) 2.789 8.747 ( -1.378 0.000 2.425) 2.789 9.089 ( -3.859 0.000 -2.463) 4.578 9.089 ( -3.859 0.000 2.463) 4.578 19.282 ( -1.007 0.000 -10.478) 10.527 19.282 ( -1.007 0.000 10.478) 10.527 20.310 ( -8.566 0.000 -0.409) 8.576 20.310 ( -8.566 0.000 0.409) 8.576 20.873 ( 11.169 0.000 -0.011) 11.169 20.873 ( 11.169 0.000 0.011) 11.169 22.485 ( 15.623 0.000 -4.750) 16.329 22.485 ( 15.623 0.000 4.750) 16.329 25.140 ( -12.404 0.000 -13.525) 18.352 25.140 ( -12.404 0.000 13.525) 18.352 26.013 ( 14.005 0.000 -1.218) 14.058 26.013 ( 14.005 0.000 1.218) 14.058 48.165 ( -0.169 0.000 -8.676) 8.678 48.165 ( -0.169 0.000 8.676) 8.678 49.767 ( -8.441 0.000 -5.636) 10.149 49.767 ( -8.441 0.000 5.636) 10.149 97.486 ( 9.165 0.000 -3.228) 9.717 97.486 ( 9.165 0.000 3.228) 9.717 97.809 ( 0.866 0.000 -3.262) 3.375 97.809 ( 0.866 0.000 3.262) 3.375 99.958 ( -10.022 0.000 -17.933) 20.543 99.958 ( -10.022 0.000 17.933) 20.543 103.066 ( 0.245 0.000 -19.954) 19.955 103.066 ( 0.245 0.000 19.954) 19.955======================= Grid point 433 (129/168) =======================q-point: ( 0.17 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 144Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.576 ( 16.450 0.000 -1.607) 16.528 1.576 ( 16.450 0.000 1.607) 16.528 1.934 ( 16.857 0.000 -4.825) 17.534 1.934 ( 16.857 0.000 4.825) 17.534 2.744 ( 8.233 0.000 -24.184) 25.547 2.744 ( 8.233 0.000 24.184) 25.547 3.455 ( 15.341 0.000 -3.011) 15.634 3.455 ( 15.341 0.000 3.011) 15.634 3.901 ( -2.522 0.000 -12.516) 12.768 3.901 ( -2.522 0.000 12.516) 12.768 4.416 ( -7.172 0.000 -10.123) 12.406 4.416 ( -7.172 0.000 10.123) 12.406 5.049 ( 1.300 0.000 -3.506) 3.739 5.049 ( 1.300 0.000 3.506) 3.739 5.659 ( 2.557 0.000 -6.107) 6.621 5.659 ( 2.557 0.000 6.107) 6.621 6.279 ( -10.811 0.000 -2.008) 10.996 6.279 ( -10.811 0.000 2.008) 10.996 7.916 ( 11.051 0.000 -0.783) 11.079 7.916 ( 11.051 0.000 0.783) 11.079 8.706 ( -2.794 0.000 -4.246) 5.083 8.706 ( -2.794 0.000 4.246) 5.083 8.996 ( -4.726 0.000 -2.219) 5.221 8.996 ( -4.726 0.000 2.219) 5.221 19.255 ( -1.595 0.000 -10.859) 10.976 19.255 ( -1.595 0.000 10.859) 10.976 20.107 ( -10.272 0.000 -0.945) 10.315 20.107 ( -10.272 0.000 0.945) 10.315 21.218 ( 22.032 0.000 -1.798) 22.105 21.218 ( 22.032 0.000 1.798) 22.105 22.842 ( 18.160 0.000 -0.712) 18.174 22.842 ( 18.160 0.000 0.712) 18.174 24.921 ( -8.598 0.000 -16.920) 18.979 24.921 ( -8.598 0.000 16.920) 18.979 26.291 ( 12.977 0.000 -3.298) 13.390 26.291 ( 12.977 0.000 3.298) 13.390 48.162 ( 0.011 0.000 -8.539) 8.539 48.162 ( 0.011 0.000 8.539) 8.539 49.530 ( -14.546 0.000 -5.073) 15.405 49.530 ( -14.546 0.000 5.073) 15.405 97.669 ( 6.402 0.000 -6.009) 8.780 97.669 ( 6.402 0.000 6.009) 8.780 97.864 ( 5.838 0.000 -0.298) 5.846 97.864 ( 5.838 0.000 0.298) 5.846 99.703 ( -14.166 0.000 -12.231) 18.715 99.703 ( -14.166 0.000 12.231) 18.715 103.094 ( 2.692 0.000 -20.909) 21.082 103.094 ( 2.692 0.000 20.909) 21.082======================= Grid point 435 (130/168) =======================q-point: ( 0.25 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 144Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.877 ( 13.699 0.000 -1.413) 13.772 1.877 ( 13.699 0.000 1.413) 13.772 2.229 ( 12.236 0.000 -3.031) 12.605 2.229 ( 12.236 0.000 3.031) 12.605 2.981 ( 13.443 0.000 -11.734) 17.844 2.981 ( 13.443 0.000 11.734) 17.844 3.687 ( 5.359 0.000 -4.162) 6.786 3.687 ( 5.359 0.000 4.162) 6.786 3.877 ( 1.400 0.000 -6.889) 7.030 3.877 ( 1.400 0.000 6.889) 7.030 4.310 ( -2.446 0.000 -9.723) 10.026 4.310 ( -2.446 0.000 9.723) 10.026 5.059 ( 0.235 0.000 -5.286) 5.291 5.059 ( 0.235 0.000 5.286) 5.291 5.709 ( 1.985 0.000 -6.470) 6.767 5.709 ( 1.985 0.000 6.470) 6.767 6.089 ( -7.870 0.000 -1.342) 7.984 6.089 ( -7.870 0.000 1.342) 7.984 8.099 ( 6.885 0.000 -3.404) 7.680 8.099 ( 6.885 0.000 3.404) 7.680 8.639 ( -3.459 0.000 -6.259) 7.151 8.639 ( -3.459 0.000 6.259) 7.151 8.919 ( -2.694 0.000 -2.239) 3.503 8.919 ( -2.694 0.000 2.239) 3.503 19.222 ( -1.552 0.000 -11.120) 11.228 19.222 ( -1.552 0.000 11.120) 11.228 19.922 ( -7.899 0.000 -2.621) 8.322 19.922 ( -7.899 0.000 2.621) 8.322 21.717 ( 26.471 0.000 -1.812) 26.533 21.717 ( 26.471 0.000 1.812) 26.533 23.175 ( 14.405 0.000 -2.671) 14.651 23.175 ( 14.405 0.000 2.671) 14.651 24.796 ( -4.021 0.000 -19.468) 19.879 24.796 ( -4.021 0.000 19.468) 19.879 26.528 ( 10.493 0.000 -5.690) 11.937 26.528 ( 10.493 0.000 5.690) 11.937 48.168 ( 0.595 0.000 -8.258) 8.279 48.168 ( 0.595 0.000 8.258) 8.279 49.204 ( -17.267 0.000 -3.840) 17.689 49.204 ( -17.267 0.000 3.840) 17.689 97.727 ( 0.856 0.000 -3.439) 3.544 97.727 ( 0.856 0.000 3.439) 3.544 98.024 ( 8.112 0.000 -5.231) 9.652 98.024 ( 8.112 0.000 5.231) 9.652 99.426 ( -12.495 0.000 -7.892) 14.778 99.426 ( -12.495 0.000 7.892) 14.778 103.171 ( 4.671 0.000 -20.529) 21.054 103.171 ( 4.671 0.000 20.529) 21.054======================= Grid point 437 (131/168) =======================q-point: ( 0.33 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 144Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.121 ( 10.327 0.000 -3.800) 11.004 2.121 ( 10.327 0.000 3.800) 11.004 2.466 ( 12.091 0.000 -2.019) 12.259 2.466 ( 12.091 0.000 2.019) 12.259 3.185 ( 4.966 0.000 -4.565) 6.745 3.185 ( 4.966 0.000 4.565) 6.745 3.680 ( -4.241 0.000 -9.821) 10.697 3.680 ( -4.241 0.000 9.821) 10.697 3.949 ( 5.372 0.000 -3.523) 6.424 3.949 ( 5.372 0.000 3.523) 6.424 4.324 ( 2.530 0.000 -6.097) 6.601 4.324 ( 2.530 0.000 6.097) 6.601 5.078 ( 1.940 0.000 -5.777) 6.094 5.078 ( 1.940 0.000 5.777) 6.094 5.719 ( -1.372 0.000 -8.826) 8.932 5.719 ( -1.372 0.000 8.826) 8.932 5.971 ( -3.670 0.000 -0.959) 3.793 5.971 ( -3.670 0.000 0.959) 3.793 8.188 ( 2.013 0.000 -5.199) 5.575 8.188 ( 2.013 0.000 5.199) 5.575 8.593 ( -0.514 0.000 -8.143) 8.159 8.593 ( -0.514 0.000 8.143) 8.159 8.880 ( -1.483 0.000 -2.827) 3.193 8.880 ( -1.483 0.000 2.827) 3.193 19.196 ( -1.069 0.000 -11.224) 11.275 19.196 ( -1.069 0.000 11.224) 11.275 19.790 ( -5.156 0.000 -4.532) 6.864 19.790 ( -5.156 0.000 4.532) 6.864 22.241 ( 24.423 0.000 -1.270) 24.456 22.241 ( 24.423 0.000 1.270) 24.456 23.408 ( 8.517 0.000 -2.624) 8.912 23.408 ( 8.517 0.000 2.624) 8.912 24.746 ( -1.317 0.000 -21.274) 21.315 24.746 ( -1.317 0.000 21.274) 21.315 26.710 ( 7.555 0.000 -7.399) 10.574 26.710 ( 7.555 0.000 7.399) 10.574 48.190 ( 1.760 0.000 -7.509) 7.712 48.190 ( 1.760 0.000 7.509) 7.712 48.860 ( -16.319 0.000 -2.032) 16.445 48.860 ( -16.319 0.000 2.032) 16.445 97.734 ( 0.098 0.000 -3.989) 3.990 97.734 ( 0.098 0.000 3.989) 3.990 98.150 ( 4.166 0.000 -4.913) 6.442 98.150 ( 4.166 0.000 4.913) 6.442 99.220 ( -7.785 0.000 -5.943) 9.794 99.220 ( -7.785 0.000 5.943) 9.794 103.268 ( 4.628 0.000 -19.734) 20.269 103.268 ( 4.628 0.000 19.734) 20.269======================= Grid point 439 (132/168) =======================q-point: ( 0.42 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 144Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.287 ( 5.991 0.000 -5.980) 8.465 2.287 ( 5.991 0.000 5.980) 8.465 2.717 ( 12.135 0.000 -1.354) 12.211 2.717 ( 12.135 0.000 1.354) 12.211 3.182 ( -3.910 0.000 -3.641) 5.342 3.182 ( -3.910 0.000 3.641) 5.342 3.560 ( -6.358 0.000 -6.783) 9.297 3.560 ( -6.358 0.000 6.783) 9.297 4.088 ( 7.117 0.000 -6.194) 9.435 4.088 ( 7.117 0.000 6.194) 9.435 4.357 ( 0.251 0.000 -1.418) 1.440 4.357 ( 0.251 0.000 1.418) 1.440 5.134 ( 3.103 0.000 -5.078) 5.951 5.134 ( 3.103 0.000 5.078) 5.951 5.664 ( -3.277 0.000 -10.851) 11.336 5.664 ( -3.277 0.000 10.851) 11.336 5.933 ( -0.651 0.000 -2.851) 2.924 5.933 ( -0.651 0.000 2.851) 2.924 8.197 ( -0.453 0.000 -6.127) 6.144 8.197 ( -0.453 0.000 6.127) 6.144 8.614 ( 1.903 0.000 -10.209) 10.385 8.614 ( 1.903 0.000 10.209) 10.385 8.852 ( -1.346 0.000 -2.832) 3.136 8.852 ( -1.346 0.000 2.833) 3.136 19.180 ( -0.496 0.000 -11.247) 11.258 19.180 ( -0.496 0.000 11.247) 11.258 19.713 ( -2.548 0.000 -5.840) 6.371 19.713 ( -2.548 0.000 5.840) 6.371 22.656 ( 15.665 0.000 -0.528) 15.673 22.656 ( 15.665 0.000 0.528) 15.673 23.519 ( 2.737 0.000 -1.932) 3.350 23.519 ( 2.737 0.000 1.932) 3.350 24.732 ( -0.253 0.000 -22.474) 22.476 24.732 ( -0.253 0.000 22.474) 22.476 26.828 ( 3.990 0.000 -8.312) 9.220 26.828 ( 3.990 0.000 8.312) 9.220 48.245 ( 3.949 0.000 -6.011) 7.192 48.245 ( 3.949 0.000 6.011) 7.192 48.566 ( -12.449 0.000 -0.249) 12.451 48.566 ( -12.449 0.000 0.249) 12.451 97.735 ( 0.038 0.000 -5.270) 5.270 97.735 ( 0.038 0.000 5.270) 5.270 98.198 ( 0.946 0.000 -2.702) 2.863 98.198 ( 0.946 0.000 2.702) 2.863 99.112 ( -3.109 0.000 -5.623) 6.425 99.112 ( -3.109 0.000 5.623) 6.425 103.345 ( 2.795 0.000 -19.147) 19.350 103.345 ( 2.795 0.000 19.147) 19.350======================= Grid point 441 (133/168) =======================q-point: (-0.50 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.351 ( 0.000 0.000 -5.833) 5.833 2.351 ( 0.000 0.000 5.833) 5.833 2.881 ( 0.000 0.000 -3.603) 3.603 2.881 ( 0.000 0.000 3.603) 3.603 3.104 ( 0.000 0.000 -1.590) 1.590 3.104 ( 0.000 0.000 1.590) 1.590 3.484 ( 0.000 0.000 -6.302) 6.302 3.484 ( 0.000 0.000 6.302) 6.302 4.174 ( 0.000 0.000 -8.163) 8.163 4.174 ( 0.000 0.000 8.163) 8.163 4.350 ( 0.000 0.000 -2.043) 2.043 4.350 ( 0.000 0.000 2.043) 2.043 5.173 ( 0.000 0.000 -4.489) 4.489 5.173 ( 0.000 0.000 4.489) 4.489 5.624 ( 0.000 0.000 -11.379) 11.379 5.624 ( 0.000 0.000 11.379) 11.379 5.928 ( 0.000 0.000 -3.207) 3.207 5.928 ( 0.000 0.000 3.207) 3.207 8.190 ( 0.000 0.000 -6.459) 6.459 8.190 ( 0.000 0.000 6.459) 6.459 8.639 ( 0.000 0.000 -11.544) 11.544 8.639 ( 0.000 0.000 11.544) 11.544 8.835 ( 0.000 0.000 -2.256) 2.256 8.835 ( 0.000 0.000 2.256) 2.256 19.175 ( 0.000 0.000 -11.247) 11.247 19.175 ( 0.000 0.000 11.247) 11.247 19.687 ( 0.000 0.000 -6.289) 6.289 19.687 ( 0.000 0.000 6.289) 6.289 22.824 ( 0.000 0.000 -0.095) 0.095 22.824 ( 0.000 0.000 0.095) 0.095 23.540 ( 0.000 0.000 -1.492) 1.492 23.540 ( 0.000 0.000 1.492) 1.492 24.730 ( 0.000 0.000 -22.911) 22.911 24.730 ( 0.000 0.000 22.911) 22.911 26.868 ( 0.000 0.000 -8.589) 8.589 26.868 ( 0.000 0.000 8.589) 8.589 48.345 ( -0.000 0.000 -5.796) 5.796 48.345 ( 0.000 0.000 5.796) 5.796 48.380 ( 0.000 0.000 -0.750) 0.750 48.380 ( -0.000 0.000 0.750) 0.750 97.736 ( 0.000 0.000 -5.892) 5.892 97.736 ( 0.000 0.000 5.892) 5.892 98.205 ( 0.000 0.000 -1.571) 1.571 98.205 ( 0.000 0.000 1.571) 1.571 99.083 ( 0.000 0.000 -5.685) 5.685 99.083 ( 0.000 0.000 5.685) 5.685 103.374 ( 0.000 0.000 -18.943) 18.943 103.374 ( 0.000 0.000 18.943) 18.943======================= Grid point 455 (134/168) =======================q-point: ( 0.00 0.10 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.037 ( 0.000 8.716 -12.226) 15.014 1.037 ( 0.000 8.716 12.226) 15.014 1.504 ( 0.000 -2.321 -19.893) 20.028 1.504 ( 0.000 -2.321 19.893) 20.028 2.765 ( 0.000 10.472 -32.007) 33.677 2.765 ( 0.000 10.472 32.007) 33.677 2.976 ( 0.000 -3.159 -4.004) 5.100 2.976 ( 0.000 -3.159 4.004) 5.100 3.949 ( 0.000 -2.636 -13.473) 13.728 3.949 ( 0.000 -2.636 13.473) 13.728 4.683 ( 0.000 2.218 -12.402) 12.598 4.683 ( 0.000 2.218 12.402) 12.598 4.937 ( 0.000 -0.001 -0.208) 0.208 4.937 ( 0.000 -0.001 0.208) 0.208 5.594 ( 0.000 -1.654 -6.755) 6.955 5.594 ( 0.000 -1.654 6.755) 6.955 6.590 ( 0.000 -5.866 -5.549) 8.075 6.590 ( 0.000 -5.866 5.549) 8.075 7.523 ( 0.000 -0.060 -0.563) 0.566 7.523 ( 0.000 -0.060 0.563) 0.566 8.764 ( 0.000 0.334 -4.055) 4.069 8.764 ( 0.000 0.334 4.055) 4.069 9.147 ( 0.000 1.477 -3.334) 3.647 9.147 ( 0.000 1.477 3.334) 3.647 19.288 ( 0.000 -0.498 -10.187) 10.199 19.288 ( 0.000 -0.498 10.187) 10.199 20.396 ( 0.000 -0.210 -0.738) 0.767 20.396 ( 0.000 -0.210 0.738) 0.767 20.715 ( 0.000 -5.638 -4.919) 7.482 20.715 ( 0.000 -5.638 4.919) 7.482 22.314 ( 0.000 0.786 -9.400) 9.433 22.314 ( 0.000 0.786 9.400) 9.433 25.215 ( 0.000 -9.253 -16.929) 19.292 25.215 ( 0.000 -9.253 16.929) 19.292 25.832 ( 0.000 1.032 -0.353) 1.091 25.832 ( 0.000 1.032 0.353) 1.091 48.165 ( 0.000 -0.190 -8.511) 8.513 48.165 ( 0.000 -0.190 8.511) 8.513 49.868 ( 0.000 1.216 -6.653) 6.763 49.868 ( 0.000 1.216 6.653) 6.763 97.384 ( 0.000 0.171 -0.148) 0.226 97.384 ( 0.000 0.171 0.148) 0.226 97.835 ( 0.000 3.275 -4.456) 5.529 97.835 ( 0.000 3.275 4.456) 5.529 99.931 ( 0.000 -12.485 -17.843) 21.777 99.931 ( 0.000 -12.485 17.843) 21.777 103.070 ( 0.000 0.168 -22.413) 22.414 103.070 ( 0.000 0.168 22.413) 22.414======================= Grid point 457 (135/168) =======================q-point: ( 0.08 0.10 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 240Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.269 ( 18.401 6.909 -7.758) 21.131 1.269 ( 18.401 6.909 7.758) 21.131 1.606 ( 10.608 -2.150 -15.864) 19.205 1.606 ( 10.608 -2.150 15.864) 19.205 2.749 ( 0.040 8.273 -27.296) 28.522 2.749 ( 0.040 8.273 27.296) 28.522 3.130 ( 13.166 -1.939 -2.439) 13.529 3.130 ( 13.166 -1.939 2.439) 13.529 3.924 ( -2.340 -2.938 -13.505) 14.018 3.924 ( -2.340 -2.938 13.505) 14.018 4.587 ( -7.355 1.959 -10.668) 13.105 4.587 ( -7.355 1.959 10.668) 13.105 5.001 ( 4.113 0.466 -1.807) 4.517 5.001 ( 4.113 0.466 1.807) 4.517 5.602 ( 0.977 -1.794 -6.422) 6.739 5.602 ( 0.977 -1.794 6.422) 6.739 6.467 ( -10.052 -4.268 -4.149) 11.682 6.467 ( -10.052 -4.268 4.149) 11.682 7.666 ( 11.771 -0.653 -1.243) 11.854 7.666 ( 11.771 -0.653 1.243) 11.854 8.749 ( -1.490 0.214 -4.509) 4.754 8.749 ( -1.490 0.214 4.509) 4.754 9.102 ( -4.174 1.178 -3.133) 5.350 9.102 ( -4.174 1.178 3.133) 5.350 19.278 ( -0.931 -0.417 -10.381) 10.431 19.278 ( -0.931 -0.417 10.381) 10.431 20.288 ( -9.158 -2.106 -0.603) 9.416 20.288 ( -9.158 -2.106 0.603) 9.416 20.852 ( 13.166 -2.040 -3.322) 13.731 20.852 ( 13.166 -2.040 3.322) 13.731 22.476 ( 14.396 -0.775 -5.510) 15.434 22.476 ( 14.396 -0.775 5.510) 15.434 25.076 ( -10.310 -6.049 -16.743) 20.572 25.076 ( -10.310 -6.049 16.743) 20.572 25.999 ( 13.085 -1.041 -2.194) 13.309 25.999 ( 13.085 -1.041 2.194) 13.309 48.162 ( -0.200 -0.219 -8.471) 8.476 48.162 ( -0.200 -0.219 8.471) 8.476 49.779 ( -8.555 1.123 -6.358) 10.718 49.779 ( -8.555 1.123 6.358) 10.718 97.477 ( 8.220 -0.772 -2.563) 8.645 97.477 ( 8.220 -0.772 2.563) 8.645 97.845 ( 1.122 3.444 -4.433) 5.725 97.845 ( 1.122 3.444 4.433) 5.725 99.841 ( -8.470 -10.950 -15.639) 20.886 99.841 ( -8.470 -10.950 15.639) 20.886 103.070 ( 0.324 0.295 -22.260) 22.264 103.070 ( 0.324 0.295 22.260) 22.264======================= Grid point 459 (136/168) =======================q-point: ( 0.17 0.10 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 240Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.612 ( 15.005 3.207 -5.622) 16.341 1.612 ( 15.005 3.207 5.622) 16.341 1.920 ( 17.850 -0.264 -3.408) 18.174 1.920 ( 17.850 -0.264 3.408) 18.174 2.808 ( 6.423 5.571 -20.027) 21.757 2.808 ( 6.423 5.571 20.027) 21.757 3.434 ( 15.244 -1.913 -2.281) 15.532 3.434 ( 15.244 -1.913 2.281) 15.532 3.868 ( -2.655 -3.355 -13.363) 14.031 3.868 ( -2.655 -3.355 13.363) 14.031 4.437 ( -6.940 2.171 -9.732) 12.149 4.437 ( -6.940 2.171 9.732) 12.149 5.056 ( 1.138 0.474 -3.585) 3.791 5.056 ( 1.138 0.474 3.585) 3.791 5.640 ( 2.726 -1.698 -5.671) 6.517 5.640 ( 2.726 -1.698 5.671) 6.517 6.257 ( -9.957 -2.258 -3.215) 10.704 6.257 ( -9.957 -2.258 3.215) 10.704 7.912 ( 11.465 -0.417 -1.901) 11.629 7.912 ( 11.465 -0.417 1.901) 11.629 8.706 ( -2.837 0.020 -5.671) 6.341 8.706 ( -2.837 0.020 5.671) 6.341 9.000 ( -5.291 0.334 -2.566) 5.890 9.000 ( -5.291 0.334 2.566) 5.890 19.253 ( -1.487 -0.226 -10.746) 10.850 19.253 ( -1.487 -0.226 10.746) 10.850 20.087 ( -9.912 -1.968 -0.918) 10.147 20.087 ( -9.912 -1.968 0.918) 10.147 21.219 ( 22.540 0.090 -3.273) 22.776 21.219 ( 22.540 0.090 3.273) 22.776 22.813 ( 17.515 -2.709 -0.793) 17.741 22.813 ( 17.515 -2.709 0.793) 17.741 24.889 ( -7.415 -3.021 -18.181) 19.866 24.889 ( -7.415 -3.021 18.181) 19.866 26.271 ( 13.076 -1.772 -4.188) 13.844 26.271 ( 13.076 -1.772 4.188) 13.844 48.159 ( -0.056 -0.317 -8.378) 8.385 48.159 ( -0.056 -0.317 8.378) 8.385 49.540 ( -14.740 0.846 -5.488) 15.751 49.540 ( -14.740 0.846 5.488) 15.751 97.644 ( 6.406 -2.083 -5.053) 8.420 97.644 ( 6.406 -2.083 5.053) 8.420 97.901 ( 5.156 3.337 -4.276) 7.484 97.901 ( 5.156 3.337 4.276) 7.484 99.622 ( -12.319 -7.653 -11.162) 18.301 99.622 ( -12.319 -7.653 11.162) 18.301 103.097 ( 2.623 0.309 -21.654) 21.815 103.097 ( 2.623 0.309 21.654) 21.815======================= Grid point 461 (137/168) =======================q-point: ( 0.25 0.10 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 240Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.899 ( 13.547 1.936 -4.253) 14.330 1.899 ( 13.547 1.935 4.253) 14.330 2.223 ( 12.033 0.008 -5.300) 13.149 2.223 ( 12.033 0.008 5.300) 13.149 3.002 ( 11.314 1.765 -8.726) 14.397 3.002 ( 11.314 1.765 8.726) 14.397 3.653 ( 4.218 -3.199 -6.464) 8.355 3.653 ( 4.218 -3.199 6.464) 8.355 3.862 ( 3.255 -1.582 -7.970) 8.753 3.862 ( 3.255 -1.582 7.970) 8.753 4.332 ( -2.743 2.119 -9.220) 9.850 4.332 ( -2.743 2.119 9.220) 9.850 5.061 ( -0.006 0.098 -5.045) 5.046 5.061 ( -0.006 0.098 5.045) 5.046 5.696 ( 2.361 -1.078 -5.807) 6.360 5.696 ( 2.361 -1.078 5.807) 6.360 6.081 ( -7.249 -0.874 -2.936) 7.870 6.081 ( -7.249 -0.874 2.936) 7.870 8.105 ( 7.341 0.490 -3.556) 8.172 8.105 ( 7.341 0.490 3.556) 8.172 8.638 ( -3.471 0.001 -6.933) 7.754 8.638 ( -3.471 0.001 6.933) 7.754 8.912 ( -3.173 -0.766 -2.330) 4.010 8.912 ( -3.173 -0.766 2.330) 4.010 19.222 ( -1.439 -0.002 -11.017) 11.110 19.222 ( -1.439 -0.002 11.017) 11.110 19.908 ( -7.669 -1.362 -2.383) 8.145 19.908 ( -7.669 -1.362 2.383) 8.145 21.723 ( 26.504 0.554 -3.096) 26.690 21.723 ( 26.504 0.554 3.096) 26.690 23.140 ( 14.304 -3.442 -2.054) 14.855 23.140 ( 14.304 -3.442 2.054) 14.855 24.783 ( -3.383 -1.329 -19.758) 20.089 24.783 ( -3.383 -1.329 19.758) 20.089 26.512 ( 10.711 -1.498 -6.043) 12.389 26.512 ( 10.711 -1.498 6.043) 12.389 48.163 ( 0.523 -0.459 -8.115) 8.144 48.163 ( 0.523 -0.459 8.115) 8.144 49.209 ( -17.473 0.467 -4.096) 17.953 49.209 ( -17.473 0.467 4.096) 17.953 97.713 ( 1.300 -1.335 -3.546) 4.005 97.713 ( 1.300 -1.335 3.546) 4.005 98.039 ( 7.171 1.415 -5.461) 9.124 98.039 ( 7.171 1.415 5.461) 9.124 99.380 ( -11.083 -4.524 -7.538) 14.147 99.380 ( -11.083 -4.524 7.538) 14.147 103.173 ( 4.589 0.145 -20.647) 21.151 103.173 ( 4.589 0.145 20.647) 21.151======================= Grid point 463 (138/168) =======================q-point: ( 0.33 0.10 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 240Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.142 ( 10.129 1.960 -4.348) 11.196 2.142 ( 10.129 1.960 4.348) 11.196 2.451 ( 11.657 -1.339 -3.075) 12.130 2.451 ( 11.657 -1.339 3.075) 12.130 3.168 ( 3.481 -1.871 -2.653) 4.760 3.168 ( 3.481 -1.871 2.653) 4.760 3.648 ( -3.177 -2.733 -11.012) 11.782 3.648 ( -3.177 -2.733 11.012) 11.782 3.952 ( 5.250 0.125 -4.927) 7.201 3.952 ( 5.250 0.125 4.927) 7.201 4.334 ( 1.833 0.817 -6.659) 6.955 4.334 ( 1.833 0.817 6.659) 6.955 5.077 ( 1.786 -0.114 -5.424) 5.711 5.077 ( 1.786 -0.114 5.424) 5.711 5.714 ( -0.960 -0.345 -8.179) 8.243 5.714 ( -0.960 -0.345 8.179) 8.243 5.975 ( -3.080 0.308 -2.600) 4.043 5.975 ( -3.080 0.308 2.600) 4.043 8.201 ( 2.261 1.217 -5.221) 5.818 8.201 ( 2.261 1.217 5.221) 5.818 8.591 ( -0.688 -0.194 -8.245) 8.276 8.591 ( -0.688 -0.194 8.245) 8.276 8.867 ( -1.555 -1.323 -2.852) 3.507 8.867 ( -1.555 -1.323 2.852) 3.507 19.198 ( -0.964 0.221 -11.179) 11.223 19.198 ( -0.964 0.221 11.179) 11.223 19.779 ( -5.099 -1.101 -4.207) 6.702 19.779 ( -5.099 -1.101 4.207) 6.702 22.246 ( 24.300 0.452 -2.709) 24.454 22.246 ( 24.300 0.452 2.709) 24.454 23.373 ( 8.661 -3.392 -2.329) 9.589 23.373 ( 8.661 -3.392 2.329) 9.589 24.742 ( -0.985 -0.418 -21.080) 21.107 24.742 ( -0.985 -0.418 21.080) 21.107 26.698 ( 7.671 -1.208 -7.448) 10.760 26.698 ( 7.671 -1.208 7.448) 10.760 48.184 ( 1.722 -0.573 -7.366) 7.586 48.184 ( 1.722 -0.573 7.366) 7.586 48.861 ( -16.501 0.090 -2.233) 16.652 48.861 ( -16.501 0.090 2.233) 16.652 97.724 ( 0.107 -1.011 -3.920) 4.050 97.724 ( 0.107 -1.011 3.920) 4.050 98.153 ( 3.839 0.268 -4.712) 6.084 98.153 ( 3.839 0.268 4.712) 6.084 99.196 ( -6.925 -2.327 -5.863) 9.367 99.196 ( -6.925 -2.327 5.863) 9.367 103.269 ( 4.605 0.043 -19.691) 20.222 103.269 ( 4.605 0.043 19.691) 20.222======================= Grid point 465 (139/168) =======================q-point: ( 0.42 0.10 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 240Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.300 ( 5.530 1.236 -7.016) 9.018 2.300 ( 5.530 1.236 7.016) 9.018 2.698 ( 12.173 -1.897 -2.013) 12.483 2.698 ( 12.173 -1.897 2.013) 12.483 3.150 ( -4.124 -3.354 -3.398) 6.309 3.150 ( -4.124 -3.354 3.398) 6.309 3.544 ( -6.080 -1.403 -9.866) 11.674 3.544 ( -6.080 -1.403 9.866) 11.674 4.082 ( 6.647 -0.558 -6.657) 9.424 4.082 ( 6.647 -0.558 6.657) 9.424 4.356 ( -0.050 -0.200 -3.319) 3.325 4.356 ( -0.050 -0.200 3.319) 3.325 5.127 ( 2.739 -0.497 -4.719) 5.479 5.127 ( 2.739 -0.497 4.719) 5.479 5.669 ( -2.662 0.630 -10.398) 10.752 5.669 ( -2.662 0.630 10.398) 10.752 5.947 ( -0.338 1.208 -3.055) 3.302 5.947 ( -0.338 1.208 3.055) 3.302 8.213 ( -0.382 1.528 -6.155) 6.353 8.213 ( -0.382 1.528 6.155) 6.353 8.607 ( 1.668 -0.632 -10.064) 10.220 8.607 ( 1.668 -0.632 10.064) 10.220 8.840 ( -1.174 -1.177 -2.900) 3.343 8.840 ( -1.174 -1.177 2.900) 3.343 19.184 ( -0.427 0.405 -11.293) 11.308 19.184 ( -0.427 0.405 11.293) 11.308 19.702 ( -2.562 -1.080 -5.493) 6.157 19.702 ( -2.562 -1.080 5.493) 6.157 22.658 ( 15.539 0.191 -2.399) 15.724 22.658 ( 15.539 0.191 2.399) 15.724 23.488 ( 2.897 -3.076 -1.900) 4.633 23.488 ( 2.898 -3.076 1.900) 4.633 24.733 ( -0.112 0.033 -22.045) 22.045 24.733 ( -0.112 0.033 22.045) 22.045 26.817 ( 4.027 -1.080 -8.243) 9.238 26.817 ( 4.027 -1.080 8.243) 9.238 48.239 ( 3.972 -0.591 -5.866) 7.109 48.239 ( 3.972 -0.591 5.866) 7.109 48.564 ( -12.592 -0.231 -0.323) 12.598 48.564 ( -12.592 -0.231 0.323) 12.598 97.724 ( -0.042 -1.120 -5.033) 5.156 97.724 ( -0.042 -1.120 5.033) 5.156 98.197 ( 0.909 -0.047 -2.627) 2.780 98.197 ( 0.909 -0.047 2.627) 2.780 99.100 ( -2.753 -1.164 -5.640) 6.383 99.100 ( -2.753 -1.164 5.640) 6.383 103.346 ( 2.800 0.032 -19.075) 19.279 103.346 ( 2.800 0.032 19.075) 19.279======================= Grid point 467 (140/168) =======================q-point: (-0.50 0.10 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.358 ( 0.000 0.682 -6.925) 6.959 2.358 ( 0.000 0.682 6.925) 6.959 2.865 ( 0.000 -1.581 -4.411) 4.686 2.865 ( 0.000 -1.581 4.411) 4.686 3.070 ( 0.000 -3.705 -6.036) 7.082 3.070 ( 0.000 -3.705 6.036) 7.082 3.469 ( 0.000 -1.226 -11.052) 11.120 3.469 ( 0.000 -1.226 11.052) 11.120 4.162 ( 0.000 -1.102 -8.239) 8.312 4.162 ( 0.000 -1.102 8.239) 8.312 4.347 ( 0.000 -0.394 -2.988) 3.014 4.347 ( 0.000 -0.394 2.988) 3.014 5.160 ( 0.000 -0.954 -4.218) 4.325 5.160 ( 0.000 -0.954 4.218) 4.325 5.637 ( 0.000 1.337 -11.066) 11.146 5.637 ( 0.000 1.337 11.066) 11.146 5.945 ( 0.000 1.517 -3.165) 3.510 5.945 ( 0.000 1.517 3.165) 3.510 8.207 ( 0.000 1.599 -6.472) 6.667 8.207 ( 0.000 1.599 6.472) 6.667 8.629 ( 0.000 -0.945 -11.318) 11.358 8.629 ( 0.000 -0.945 11.318) 11.358 8.826 ( 0.000 -0.921 -2.601) 2.759 8.826 ( 0.000 -0.921 2.601) 2.759 19.180 ( 0.000 0.480 -11.341) 11.352 19.180 ( 0.000 0.480 11.341) 11.352 19.676 ( 0.000 -1.104 -5.949) 6.050 19.676 ( 0.000 -1.104 5.949) 6.050 22.824 ( 0.000 0.057 -2.341) 2.342 22.824 ( 0.000 0.057 2.341) 2.342 23.511 ( 0.000 -2.907 -1.574) 3.305 23.511 ( 0.000 -2.907 1.574) 3.305 24.732 ( 0.000 0.169 -22.411) 22.412 24.732 ( 0.000 0.169 22.411) 22.412 26.858 ( 0.000 -1.050 -8.492) 8.557 26.858 ( 0.000 -1.050 8.492) 8.557 48.339 ( -0.000 -0.510 -5.614) 5.637 48.339 ( 0.000 -0.510 5.614) 5.637 48.375 ( 0.000 -0.433 -0.685) 0.811 48.375 ( -0.000 -0.433 0.685) 0.811 97.723 ( 0.000 -1.212 -5.571) 5.702 97.723 ( 0.000 -1.212 5.571) 5.702 98.204 ( 0.000 -0.056 -1.604) 1.605 98.204 ( 0.000 -0.056 1.604) 1.605 99.075 ( 0.000 -0.837 -5.725) 5.786 99.075 ( 0.000 -0.837 5.725) 5.786 103.375 ( 0.000 0.041 -18.868) 18.868 103.375 ( 0.000 0.041 18.868) 18.868======================= Grid point 481 (141/168) =======================q-point: ( 0.00 0.20 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.258 ( 0.000 13.181 -8.516) 15.692 1.258 ( 0.000 13.181 8.516) 15.692 1.507 ( 0.000 3.853 -13.326) 13.872 1.507 ( 0.000 3.853 13.326) 13.872 2.887 ( 0.000 -5.898 -3.508) 6.862 2.887 ( 0.000 -5.898 3.508) 6.862 3.005 ( 0.000 12.262 -22.975) 26.042 3.005 ( 0.000 12.262 22.975) 26.042 3.860 ( 0.000 -5.895 -16.198) 17.238 3.860 ( 0.000 -5.895 16.198) 17.238 4.741 ( 0.000 3.148 -14.124) 14.471 4.741 ( 0.000 3.148 14.124) 14.471 4.937 ( 0.000 -0.032 -0.146) 0.150 4.937 ( 0.000 -0.032 0.146) 0.150 5.551 ( 0.000 -2.500 -6.916) 7.354 5.551 ( 0.000 -2.500 6.916) 7.354 6.444 ( 0.000 -8.575 -7.162) 11.173 6.444 ( 0.000 -8.575 7.162) 11.173 7.521 ( 0.000 -0.099 -0.390) 0.402 7.521 ( 0.000 -0.099 0.390) 0.402 8.775 ( 0.000 0.686 -6.589) 6.624 8.775 ( 0.000 0.686 6.589) 6.624 9.180 ( 0.000 1.810 -3.925) 4.323 9.180 ( 0.000 1.810 3.925) 4.323 19.275 ( 0.000 -0.818 -9.960) 9.994 19.275 ( 0.000 -0.818 9.960) 9.994 20.391 ( 0.000 -0.254 -0.855) 0.892 20.391 ( 0.000 -0.254 0.855) 0.892 20.580 ( 0.000 -7.416 -7.700) 10.691 20.580 ( 0.000 -7.416 7.700) 10.691 22.334 ( 0.000 1.190 -9.423) 9.498 22.334 ( 0.000 1.190 9.423) 9.498 25.013 ( 0.000 -10.234 -22.990) 25.165 25.013 ( 0.000 -10.234 22.990) 25.165 25.859 ( 0.000 1.679 -0.443) 1.737 25.859 ( 0.000 1.679 0.443) 1.737 48.159 ( 0.000 -0.339 -8.077) 8.084 48.159 ( 0.000 -0.339 8.077) 8.084 49.894 ( 0.000 1.257 -7.851) 7.951 49.894 ( 0.000 1.257 7.851) 7.951 97.388 ( 0.000 0.277 -0.159) 0.319 97.388 ( 0.000 0.277 0.159) 0.319 97.920 ( 0.000 5.041 -6.289) 8.060 97.920 ( 0.000 5.041 6.289) 8.060 99.642 ( 0.000 -15.666 -12.751) 20.199 99.642 ( 0.000 -15.666 12.751) 20.199 103.074 ( 0.000 0.223 -24.899) 24.900 103.074 ( 0.000 0.223 24.899) 24.900======================= Grid point 483 (142/168) =======================q-point: ( 0.08 0.20 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 240Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.436 ( 13.100 9.244 -8.661) 18.223 1.436 ( 13.100 9.244 8.661) 18.223 1.620 ( 12.680 5.105 -8.601) 16.150 1.620 ( 12.680 5.105 8.601) 16.150 2.880 ( -0.240 1.522 -8.941) 9.072 2.880 ( -0.240 1.522 8.941) 9.072 3.125 ( 11.110 3.393 -9.487) 14.998 3.125 ( 11.110 3.393 9.487) 14.998 3.833 ( -2.489 -5.734 -16.021) 17.197 3.833 ( -2.489 -5.734 16.021) 17.197 4.641 ( -7.288 3.182 -10.386) 13.081 4.641 ( -7.288 3.182 10.386) 13.081 5.006 ( 4.137 -0.178 -2.773) 4.984 5.006 ( 4.137 -0.178 2.773) 4.984 5.560 ( 1.173 -2.150 -6.506) 6.951 5.560 ( 1.173 -2.150 6.506) 6.951 6.356 ( -7.412 -6.708 -6.190) 11.757 6.356 ( -7.412 -6.708 6.190) 11.757 7.651 ( 11.155 -0.876 -1.275) 11.262 7.651 ( 11.155 -0.876 1.275) 11.262 8.757 ( -1.742 0.536 -6.893) 7.129 8.757 ( -1.742 0.536 6.893) 7.129 9.129 ( -4.836 1.456 -3.658) 6.236 9.129 ( -4.836 1.456 3.658) 6.236 19.267 ( -0.736 -0.695 -10.115) 10.166 19.267 ( -0.736 -0.695 10.115) 10.166 20.234 ( -10.125 -3.285 -1.517) 10.752 20.234 ( -10.125 -3.285 1.517) 10.752 20.804 ( 16.999 -2.622 -5.526) 18.066 20.804 ( 16.999 -2.622 5.526) 18.066 22.461 ( 11.642 -0.650 -6.888) 13.542 22.461 ( 11.642 -0.650 6.888) 13.542 24.935 ( -6.244 -7.538 -21.474) 23.599 24.935 ( -6.244 -7.538 21.474) 23.599 25.986 ( 10.907 -0.165 -2.258) 11.139 25.986 ( 10.907 -0.165 2.258) 11.139 48.156 ( -0.279 -0.386 -8.072) 8.086 48.156 ( -0.279 -0.386 8.072) 8.086 49.804 ( -8.714 1.212 -7.391) 11.491 49.804 ( -8.714 1.212 7.391) 11.491 97.462 ( 6.531 -0.712 -1.545) 6.749 97.462 ( 6.531 -0.712 1.545) 6.749 97.930 ( 1.174 4.959 -6.275) 8.084 97.930 ( 1.174 4.959 6.275) 8.084 99.584 ( -5.533 -14.112 -11.582) 19.076 99.584 ( -5.533 -14.112 11.582) 19.076 103.076 ( 0.493 0.361 -24.044) 24.051 103.076 ( 0.493 0.361 24.044) 24.051======================= Grid point 485 (143/168) =======================q-point: ( 0.17 0.20 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 240Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.678 ( 12.011 3.548 -10.518) 16.355 1.678 ( 12.011 3.548 10.518) 16.355 1.975 ( 18.261 6.380 -5.463) 20.100 1.975 ( 18.261 6.380 5.463) 20.100 2.903 ( 3.255 2.422 -9.145) 10.005 2.903 ( 3.255 2.422 9.145) 10.005 3.398 ( 14.099 -1.233 -3.969) 14.699 3.398 ( 14.099 -1.233 3.969) 14.699 3.779 ( -1.960 -5.039 -15.385) 16.308 3.779 ( -1.960 -5.039 15.385) 16.308 4.494 ( -6.835 3.338 -8.357) 11.300 4.494 ( -6.835 3.338 8.357) 11.300 5.057 ( 0.876 -0.554 -3.452) 3.604 5.057 ( 0.876 -0.554 3.452) 3.604 5.607 ( 3.398 -1.308 -5.259) 6.396 5.607 ( 3.398 -1.308 5.259) 6.396 6.194 ( -7.920 -3.990 -5.412) 10.389 6.194 ( -7.920 -3.990 5.412) 10.389 7.900 ( 12.273 -0.867 -2.632) 12.582 7.900 ( 12.273 -0.867 2.632) 12.582 8.708 ( -3.014 0.227 -7.564) 8.146 8.708 ( -3.014 0.227 7.564) 8.146 9.007 ( -6.539 0.411 -3.008) 7.209 9.007 ( -6.539 0.411 3.008) 7.209 19.247 ( -1.202 -0.391 -10.425) 10.501 19.247 ( -1.202 -0.391 10.425) 10.501 20.037 ( -9.113 -2.918 -1.238) 9.648 20.037 ( -9.113 -2.918 1.238) 9.648 21.219 ( 23.789 -0.182 -5.238) 24.360 21.219 ( 23.789 -0.182 5.238) 24.360 22.749 ( 15.725 -3.478 -2.740) 16.337 22.749 ( 15.725 -3.478 2.740) 16.337 24.817 ( -4.808 -4.062 -20.280) 21.234 24.817 ( -4.808 -4.062 20.280) 21.234 26.234 ( 12.767 -1.693 -4.672) 13.700 26.234 ( 12.767 -1.693 4.672) 13.700 48.151 ( -0.221 -0.537 -8.022) 8.043 48.151 ( -0.221 -0.537 8.022) 8.043 49.559 ( -15.093 0.992 -6.229) 16.358 49.559 ( -15.093 0.992 6.229) 16.358 97.601 ( 6.041 -2.086 -3.520) 7.296 97.601 ( 6.041 -2.086 3.520) 7.296 97.977 ( 3.761 4.181 -6.059) 8.267 97.977 ( 3.761 4.181 6.059) 8.267 99.437 ( -8.455 -10.431 -8.984) 16.155 99.437 ( -8.455 -10.431 8.984) 16.155 103.105 ( 2.502 0.404 -22.285) 22.428 103.105 ( 2.502 0.404 22.285) 22.428======================= Grid point 487 (144/168) =======================q-point: ( 0.25 0.20 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 240Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.935 ( 13.212 1.636 -8.441) 15.764 1.935 ( 13.212 1.636 8.441) 15.764 2.260 ( 9.955 4.175 -10.124) 14.800 2.260 ( 9.955 4.175 10.124) 14.800 3.016 ( 6.701 -1.499 -2.371) 7.264 3.016 ( 6.701 -1.499 2.371) 7.264 3.588 ( 3.275 -2.538 -11.611) 12.328 3.588 ( 3.275 -2.538 11.611) 12.328 3.817 ( 6.329 -2.947 -9.116) 11.482 3.817 ( 6.329 -2.947 9.116) 11.482 4.382 ( -3.822 2.714 -7.829) 9.125 4.382 ( -3.822 2.714 7.829) 9.125 5.060 ( 0.084 -0.206 -4.047) 4.053 5.060 ( 0.084 -0.206 4.047) 4.053 5.679 ( 3.157 -0.495 -4.787) 5.756 5.679 ( 3.157 -0.495 4.787) 5.756 6.054 ( -5.699 -1.879 -4.924) 7.762 6.054 ( -5.699 -1.879 4.924) 7.762 8.113 ( 8.482 0.306 -3.650) 9.239 8.113 ( 8.482 0.306 3.650) 9.239 8.639 ( -3.520 0.107 -8.019) 8.758 8.639 ( -3.520 0.107 8.019) 8.758 8.892 ( -4.399 -1.120 -2.580) 5.221 8.892 ( -4.399 -1.120 2.580) 5.221 19.222 ( -1.135 -0.020 -10.714) 10.774 19.222 ( -1.135 -0.020 10.714) 10.774 19.873 ( -7.142 -2.131 -1.892) 7.690 19.873 ( -7.142 -2.131 1.892) 7.690 21.736 ( 26.685 0.625 -4.954) 27.148 21.736 ( 26.685 0.625 4.954) 27.148 23.054 ( 13.846 -4.933 -1.050) 14.736 23.054 ( 13.846 -4.933 1.050) 14.736 24.750 ( -1.916 -1.872 -20.126) 20.303 24.750 ( -1.916 -1.872 20.126) 20.303 26.476 ( 10.954 -1.926 -6.285) 12.775 26.476 ( 10.954 -1.926 6.285) 12.775 48.151 ( 0.343 -0.753 -7.766) 7.810 48.151 ( 0.343 -0.753 7.766) 7.810 49.220 ( -17.922 0.573 -4.642) 18.522 49.220 ( -17.922 0.573 4.642) 18.522 97.680 ( 1.942 -1.914 -3.277) 4.263 97.680 ( 1.942 -1.914 3.277) 4.263 98.074 ( 5.192 2.059 -5.445) 7.801 98.074 ( 5.192 2.059 5.445) 7.801 99.268 ( -7.846 -6.448 -6.640) 12.134 99.268 ( -7.847 -6.448 6.640) 12.134 103.176 ( 4.405 0.216 -20.668) 21.133 103.176 ( 4.405 0.216 20.668) 21.133======================= Grid point 489 (145/168) =======================q-point: ( 0.33 0.20 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 240Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.184 ( 10.431 1.768 -4.707) 11.580 2.184 ( 10.431 1.768 4.707) 11.580 2.430 ( 8.724 -0.197 -7.037) 11.210 2.430 ( 8.724 -0.197 7.037) 11.210 3.101 ( 0.745 -5.213 -1.510) 5.478 3.101 ( 0.745 -5.213 1.510) 5.478 3.597 ( -1.761 -2.032 -14.506) 14.754 3.597 ( -1.761 -2.032 14.506) 14.754 3.947 ( 5.949 -0.738 -6.209) 8.631 3.947 ( 5.949 -0.738 6.209) 8.631 4.348 ( -0.118 0.552 -6.743) 6.766 4.348 ( -0.118 0.552 6.743) 6.766 5.079 ( 1.905 0.520 -4.259) 4.694 5.079 ( 1.905 0.520 4.259) 4.694 5.712 ( -0.087 0.262 -6.972) 6.978 5.712 ( -0.087 0.262 6.972) 6.978 5.978 ( -1.708 -0.102 -3.735) 4.108 5.978 ( -1.708 -0.102 3.735) 4.108 8.229 ( 2.982 1.502 -5.058) 6.061 8.229 ( 2.982 1.502 5.058) 6.061 8.587 ( -1.154 -0.175 -8.368) 8.449 8.587 ( -1.154 -0.175 8.368) 8.449 8.832 ( -1.784 -2.086 -2.802) 3.923 8.832 ( -1.784 -2.086 2.802) 3.923 19.204 ( -0.676 0.358 -11.025) 11.051 19.204 ( -0.676 0.358 11.025) 11.051 19.750 ( -4.976 -1.784 -3.345) 6.256 19.750 ( -4.976 -1.784 3.345) 6.256 22.257 ( 24.050 0.611 -4.583) 24.490 22.257 ( 24.050 0.611 4.583) 24.490 23.287 ( 8.899 -5.150 -1.646) 10.412 23.287 ( 8.899 -5.150 1.646) 10.412 24.731 ( -0.191 -0.615 -20.446) 20.456 24.731 ( -0.191 -0.615 20.446) 20.456 26.667 ( 7.854 -1.801 -7.368) 10.919 26.667 ( 7.854 -1.801 7.368) 10.919 48.169 ( 1.625 -0.929 -7.002) 7.248 48.169 ( 1.625 -0.929 7.002) 7.248 48.862 ( -16.938 0.070 -2.689) 17.150 48.862 ( -16.938 0.070 2.689) 17.150 97.697 ( 0.101 -1.683 -3.540) 3.921 97.697 ( 0.101 -1.683 3.540) 3.921 98.160 ( 3.025 0.472 -4.098) 5.116 98.160 ( 3.025 0.472 4.098) 5.116 99.137 ( -4.879 -3.405 -5.609) 8.177 99.137 ( -4.879 -3.405 5.609) 8.177 103.270 ( 4.544 0.071 -19.535) 20.057 103.270 ( 4.544 0.071 19.535) 20.057======================= Grid point 491 (146/168) =======================q-point: ( 0.42 0.20 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 240Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.329 ( 4.334 1.559 -8.543) 9.705 2.329 ( 4.334 1.559 8.543) 9.705 2.644 ( 11.809 -3.489 -4.344) 13.057 2.644 ( 11.809 -3.489 4.344) 13.057 3.054 ( -4.774 -6.207 -4.510) 9.037 3.054 ( -4.774 -6.207 4.510) 9.037 3.516 ( -5.254 -1.245 -14.798) 15.752 3.516 ( -5.254 -1.245 14.798) 15.752 4.069 ( 5.685 -0.704 -7.108) 9.129 4.069 ( 5.685 -0.704 7.108) 9.129 4.344 ( -0.662 -1.016 -4.877) 5.025 4.344 ( -0.662 -1.016 4.877) 5.025 5.125 ( 2.205 0.527 -3.784) 4.411 5.125 ( 2.205 0.527 3.784) 4.411 5.689 ( -1.509 1.371 -9.452) 9.670 5.689 ( -1.509 1.371 9.452) 9.670 5.971 ( 0.393 1.085 -3.129) 3.335 5.971 ( 0.393 1.085 3.129) 3.335 8.250 ( -0.140 2.115 -6.028) 6.390 8.250 ( -0.140 2.115 6.028) 6.390 8.591 ( 1.019 -0.918 -9.666) 9.763 8.591 ( 1.019 -0.918 9.666) 9.763 8.809 ( -0.710 -1.869 -2.934) 3.550 8.809 ( -0.710 -1.869 2.934) 3.550 19.195 ( -0.230 0.681 -11.382) 11.405 19.195 ( -0.230 0.681 11.382) 11.405 19.673 ( -2.612 -1.783 -4.522) 5.518 19.673 ( -2.612 -1.783 4.522) 5.518 22.663 ( 15.258 0.301 -4.331) 15.864 22.663 ( 15.258 0.301 4.331) 15.864 23.407 ( 3.231 -4.844 -1.805) 6.096 23.407 ( 3.231 -4.844 1.805) 6.096 24.733 ( 0.241 0.044 -20.871) 20.872 24.733 ( 0.241 0.044 20.871) 20.872 26.788 ( 4.091 -1.711 -7.996) 9.143 26.788 ( 4.091 -1.711 7.996) 9.143 48.224 ( 4.030 -0.958 -5.487) 6.875 48.224 ( 4.030 -0.958 5.487) 6.875 48.558 ( -12.950 -0.403 -0.567) 12.968 48.558 ( -12.950 -0.403 0.567) 12.968 97.694 ( -0.221 -1.833 -4.307) 4.686 97.694 ( -0.221 -1.833 4.307) 4.686 98.196 ( 0.803 -0.021 -2.358) 2.491 98.196 ( 0.803 -0.021 2.358) 2.491 99.071 ( -1.902 -1.764 -5.665) 6.231 99.071 ( -1.902 -1.764 5.665) 6.231 103.347 ( 2.810 0.046 -18.890) 19.098 103.347 ( 2.810 0.046 18.890) 19.098======================= Grid point 493 (147/168) =======================q-point: (-0.50 0.20 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.372 ( 0.000 0.643 -9.161) 9.184 2.372 ( 0.000 0.643 9.161) 9.184 2.823 ( 0.000 -2.589 -6.371) 6.877 2.823 ( 0.000 -2.589 6.371) 6.877 2.955 ( 0.000 -7.917 -8.325) 11.488 2.955 ( 0.000 -7.917 8.325) 11.488 3.450 ( 0.000 -0.489 -16.011) 16.019 3.450 ( 0.000 -0.489 16.011) 16.019 4.136 ( 0.000 -1.424 -8.308) 8.429 4.136 ( 0.000 -1.424 8.308) 8.429 4.331 ( 0.000 -1.171 -4.497) 4.647 4.331 ( 0.000 -1.171 4.497) 4.647 5.150 ( 0.000 0.212 -3.500) 3.506 5.150 ( 0.000 0.212 3.500) 3.506 5.672 ( 0.000 2.064 -10.258) 10.463 5.672 ( 0.000 2.064 10.258) 10.463 5.977 ( 0.000 1.477 -3.056) 3.394 5.977 ( 0.000 1.477 3.056) 3.394 8.246 ( 0.000 2.276 -6.319) 6.716 8.246 ( 0.000 2.276 6.319) 6.716 8.605 ( 0.000 -1.434 -10.715) 10.811 8.605 ( 0.000 -1.434 10.715) 10.811 8.802 ( 0.000 -1.458 -3.075) 3.403 8.802 ( 0.000 -1.458 3.075) 3.403 19.193 ( 0.000 0.818 -11.566) 11.595 19.193 ( 0.000 0.818 11.566) 11.595 19.647 ( 0.000 -1.835 -4.983) 5.310 19.647 ( 0.000 -1.835 4.983) 5.310 22.826 ( 0.000 0.140 -4.296) 4.298 22.826 ( 0.000 0.140 4.296) 4.298 23.434 ( 0.000 -4.661 -1.734) 4.973 23.434 ( 0.000 -4.661 1.734) 4.973 24.736 ( 0.000 0.251 -21.067) 21.069 24.736 ( 0.000 0.251 21.067) 21.069 26.830 ( 0.000 -1.687 -8.200) 8.371 26.830 ( 0.000 -1.687 8.200) 8.371 48.326 ( -0.000 -0.835 -5.117) 5.184 48.326 ( 0.000 -0.835 5.117) 5.184 48.364 ( 0.000 -0.708 -0.519) 0.878 48.364 ( -0.000 -0.708 0.519) 0.878 97.692 ( 0.000 -1.946 -4.669) 5.058 97.692 ( 0.000 -1.946 4.669) 5.058 98.203 ( 0.000 -0.052 -1.587) 1.588 98.203 ( 0.000 -0.052 1.587) 1.588 99.053 ( 0.000 -1.301 -5.815) 5.959 99.053 ( 0.000 -1.301 5.815) 5.959 103.376 ( 0.000 0.055 -18.683) 18.683 103.376 ( 0.000 0.055 18.683) 18.683======================= Grid point 507 (148/168) =======================q-point: ( 0.00 0.30 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.526 ( 0.000 13.689 -5.076) 14.600 1.526 ( 0.000 13.689 5.076) 14.600 1.674 ( 0.000 12.957 -4.777) 13.809 1.674 ( 0.000 12.957 4.777) 13.809 2.752 ( 0.000 -7.690 -2.692) 8.147 2.752 ( 0.000 -7.690 2.692) 8.147 3.144 ( 0.000 -0.949 -9.636) 9.683 3.144 ( 0.000 -0.949 9.636) 9.683 3.794 ( 0.000 1.712 -20.592) 20.663 3.794 ( 0.000 1.712 20.592) 20.663 4.779 ( 0.000 0.277 -12.238) 12.241 4.779 ( 0.000 0.277 12.238) 12.241 4.936 ( 0.000 -0.067 -0.119) 0.137 4.936 ( 0.000 -0.067 0.119) 0.137 5.510 ( 0.000 -1.276 -7.954) 8.056 5.510 ( 0.000 -1.276 7.954) 8.056 6.275 ( 0.000 -8.306 -8.152) 11.638 6.275 ( 0.000 -8.306 8.152) 11.638 7.519 ( 0.000 -0.100 -0.184) 0.209 7.519 ( 0.000 -0.100 0.184) 0.209 8.789 ( 0.000 0.726 -7.749) 7.783 8.789 ( 0.000 0.726 7.749) 7.783 9.213 ( 0.000 1.435 -3.713) 3.980 9.213 ( 0.000 1.435 3.713) 3.980 19.258 ( 0.000 -0.830 -9.664) 9.699 19.258 ( 0.000 -0.830 9.664) 9.699 20.387 ( 0.000 -0.158 -0.774) 0.790 20.387 ( 0.000 -0.158 0.774) 0.790 20.446 ( 0.000 -5.969 -9.813) 11.486 20.446 ( 0.000 -5.969 9.813) 11.486 22.357 ( 0.000 1.096 -9.441) 9.505 22.357 ( 0.000 1.096 9.441) 9.505 24.843 ( 0.000 -6.965 -24.955) 25.909 24.843 ( 0.000 -6.965 24.955) 25.909 25.893 ( 0.000 1.690 -0.469) 1.754 25.893 ( 0.000 1.690 0.469) 1.754 48.152 ( 0.000 -0.361 -7.711) 7.720 48.152 ( 0.000 -0.361 7.711) 7.720 49.913 ( 0.000 0.754 -8.291) 8.325 49.913 ( 0.000 0.754 8.291) 8.325 97.394 ( 0.000 0.277 -0.172) 0.326 97.394 ( 0.000 0.277 0.172) 0.326 98.021 ( 0.000 5.080 -7.410) 8.985 98.021 ( 0.000 5.080 7.410) 8.985 99.360 ( 0.000 -12.655 -8.630) 15.318 99.360 ( 0.000 -12.655 8.630) 15.318 103.078 ( 0.000 0.199 -24.169) 24.170 103.078 ( 0.000 0.199 24.169) 24.170======================= Grid point 509 (149/168) =======================q-point: ( 0.08 0.30 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 240Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.625 ( 6.804 10.923 -7.297) 14.793 1.625 ( 6.804 10.923 7.297) 14.793 1.808 ( 14.179 12.714 -3.547) 19.372 1.808 ( 14.179 12.714 3.547) 19.372 2.801 ( 3.607 -7.409 -1.260) 8.336 2.801 ( 3.607 -7.409 1.260) 8.336 3.184 ( 5.055 -1.860 -7.522) 9.251 3.184 ( 5.055 -1.860 7.522) 9.251 3.771 ( -2.076 1.684 -19.983) 20.161 3.771 ( -2.076 1.684 19.983) 20.161 4.690 ( -6.702 1.293 -8.643) 11.013 4.690 ( -6.702 1.293 8.643) 11.013 4.991 ( 3.281 -1.224 -2.409) 4.250 4.991 ( 3.281 -1.224 2.409) 4.250 5.530 ( 2.111 -0.655 -7.312) 7.639 5.530 ( 2.111 -0.655 7.312) 7.639 6.220 ( -4.854 -6.916 -7.687) 11.423 6.220 ( -4.854 -6.916 7.687) 11.423 7.635 ( 10.342 -0.739 -0.966) 10.413 7.635 ( 10.342 -0.739 0.966) 10.413 8.768 ( -2.001 0.601 -7.917) 8.188 8.768 ( -2.001 0.601 7.917) 8.188 9.155 ( -5.447 1.170 -3.550) 6.606 9.155 ( -5.447 1.170 3.550) 6.606 19.253 ( -0.508 -0.714 -9.763) 9.802 19.253 ( -0.508 -0.714 9.763) 9.802 20.169 ( -10.490 -3.108 -3.061) 11.361 20.169 ( -10.490 -3.108 3.061) 11.361 20.758 ( 19.689 -1.992 -6.424) 20.806 20.758 ( 19.689 -1.992 6.424) 20.806 22.453 ( 9.031 -0.180 -7.845) 11.964 22.453 ( 9.031 -0.180 7.845) 11.964 24.804 ( -3.211 -5.564 -23.460) 24.323 24.804 ( -3.211 -5.564 23.460) 24.323 25.991 ( 8.910 0.603 -1.641) 9.080 25.991 ( 8.910 0.603 1.641) 9.080 48.148 ( -0.379 -0.411 -7.709) 7.729 48.148 ( -0.379 -0.411 7.709) 7.729 49.823 ( -8.771 0.756 -7.860) 11.801 49.823 ( -8.771 0.756 7.860) 11.801 97.451 ( 5.137 -0.413 -0.847) 5.222 97.451 ( 5.137 -0.413 0.847) 5.222 98.028 ( 0.739 4.797 -7.169) 8.658 98.028 ( 0.739 4.797 7.169) 8.658 99.327 ( -3.113 -11.585 -8.021) 14.430 99.327 ( -3.113 -11.585 8.021) 14.430 103.083 ( 0.644 0.290 -23.446) 23.457 103.083 ( 0.644 0.290 23.446) 23.457======================= Grid point 511 (150/168) =======================q-point: ( 0.17 0.30 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 240Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.777 ( 8.703 7.124 -8.575) 14.143 1.777 ( 8.703 7.124 8.575) 14.143 2.146 ( 16.056 10.243 -6.310) 20.064 2.146 ( 16.056 10.243 6.310) 20.064 2.856 ( 2.243 -6.990 -1.477) 7.488 2.856 ( 2.243 -6.990 1.477) 7.488 3.371 ( 12.306 -3.262 -4.085) 13.370 3.371 ( 12.306 -3.262 4.085) 13.370 3.726 ( -1.753 1.073 -17.548) 17.668 3.726 ( -1.753 1.073 17.548) 17.668 4.549 ( -6.853 1.898 -6.605) 9.705 4.549 ( -6.853 1.898 6.605) 9.705 5.036 ( 1.235 -1.372 -2.444) 3.062 5.036 ( 1.235 -1.372 2.444) 3.062 5.596 ( 4.117 0.132 -5.577) 6.933 5.596 ( 4.117 0.132 5.577) 6.933 6.109 ( -5.556 -4.485 -7.094) 10.065 6.109 ( -5.556 -4.485 7.094) 10.065 7.880 ( 12.840 -1.007 -2.483) 13.117 7.880 ( 12.840 -1.007 2.483) 13.117 8.713 ( -3.307 0.285 -8.245) 8.888 8.713 ( -3.307 0.285 8.245) 8.888 9.015 ( -7.743 0.380 -3.157) 8.370 9.015 ( -7.743 0.380 3.157) 8.370 19.239 ( -0.848 -0.416 -9.983) 10.028 19.239 ( -0.848 -0.416 9.983) 10.028 19.981 ( -8.342 -2.671 -2.285) 9.053 19.981 ( -8.342 -2.671 2.285) 9.053 21.212 ( 25.096 -0.479 -6.589) 25.951 21.212 ( 25.096 -0.479 6.589) 25.951 22.689 ( 13.497 -2.549 -4.531) 14.464 22.689 ( 13.497 -2.549 4.531) 14.464 24.743 ( -2.405 -3.298 -21.314) 21.701 24.743 ( -2.405 -3.298 21.314) 21.701 26.210 ( 11.863 -0.832 -4.130) 12.589 26.210 ( 11.863 -0.832 4.130) 12.589 48.139 ( -0.414 -0.558 -7.651) 7.683 48.139 ( -0.414 -0.558 7.651) 7.683 49.575 ( -15.341 0.668 -6.725) 16.763 49.575 ( -15.341 0.668 6.725) 16.763 97.566 ( 5.368 -1.500 -2.216) 5.998 97.566 ( 5.368 -1.500 2.216) 5.998 98.056 ( 2.229 3.756 -6.268) 7.640 98.056 ( 2.229 3.756 6.268) 7.640 99.244 ( -4.856 -8.856 -6.609) 12.070 99.244 ( -4.856 -8.856 6.609) 12.070 103.112 ( 2.419 0.336 -21.871) 22.007 103.112 ( 2.419 0.336 21.871) 22.007======================= Grid point 513 (151/168) =======================q-point: ( 0.25 0.30 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 240Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.976 ( 10.877 3.093 -9.097) 14.513 1.976 ( 10.877 3.093 9.097) 14.513 2.375 ( 6.480 6.885 -12.271) 15.491 2.375 ( 6.480 6.885 12.271) 15.491 2.922 ( 4.014 -7.663 -3.585) 9.365 2.922 ( 4.014 -7.663 3.585) 9.365 3.567 ( 4.001 -0.474 -14.365) 14.919 3.567 ( 4.001 -0.474 14.365) 14.919 3.759 ( 6.874 -2.240 -8.834) 11.415 3.759 ( 6.874 -2.240 8.834) 11.415 4.427 ( -4.955 1.723 -5.978) 7.953 4.427 ( -4.955 1.723 5.978) 7.953 5.057 ( 1.353 0.029 -2.566) 2.901 5.057 ( 1.353 0.029 2.566) 2.901 5.678 ( 3.533 0.284 -4.135) 5.446 5.678 ( 3.533 0.284 4.135) 5.446 6.012 ( -3.706 -2.229 -6.008) 7.402 6.012 ( -3.706 -2.229 6.008) 7.402 8.115 ( 9.745 -0.152 -3.491) 10.352 8.115 ( 9.745 -0.152 3.491) 10.352 8.641 ( -3.595 0.060 -8.290) 9.036 8.641 ( -3.595 0.060 8.290) 9.036 8.872 ( -5.835 -0.874 -2.783) 6.524 8.872 ( -5.835 -0.874 2.783) 6.524 19.222 ( -0.747 -0.037 -10.277) 10.304 19.222 ( -0.747 -0.037 10.277) 10.304 19.830 ( -6.616 -2.063 -1.966) 7.204 19.830 ( -6.616 -2.063 1.966) 7.204 21.745 ( 27.048 0.292 -6.351) 27.785 21.745 ( 27.048 0.292 6.351) 27.785 22.962 ( 12.956 -4.166 -1.686) 13.713 22.962 ( 12.956 -4.166 1.686) 13.713 24.715 ( -0.430 -1.626 -20.025) 20.095 24.715 ( -0.430 -1.626 20.025) 20.095 26.442 ( 10.804 -1.471 -5.893) 12.395 26.442 ( 10.804 -1.471 5.893) 12.395 48.135 ( 0.132 -0.764 -7.366) 7.406 48.135 ( 0.132 -0.764 7.366) 7.406 49.229 ( -18.339 0.394 -5.128) 19.046 49.229 ( -18.339 0.394 5.128) 19.046 97.643 ( 2.179 -1.759 -2.438) 3.713 97.643 ( 2.179 -1.759 2.438) 3.713 98.114 ( 3.217 1.943 -4.692) 6.011 98.114 ( 3.217 1.943 4.692) 6.011 99.146 ( -4.504 -5.617 -5.411) 9.006 99.146 ( -4.504 -5.617 5.411) 9.006 103.181 ( 4.222 0.204 -20.357) 20.791 103.181 ( 4.222 0.204 20.357) 20.791======================= Grid point 515 (152/168) =======================q-point: ( 0.33 0.30 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 240Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.199 ( 10.525 0.027 -7.548) 12.951 2.199 ( 10.525 0.027 7.548) 12.951 2.457 ( 3.308 2.664 -12.115) 12.838 2.457 ( 3.308 2.664 12.115) 12.838 2.973 ( 0.193 -7.283 -3.214) 7.963 2.973 ( 0.193 -7.283 3.214) 7.963 3.568 ( -2.435 -1.385 -17.604) 17.825 3.568 ( -2.435 -1.385 17.604) 17.825 3.926 ( 7.829 -1.076 -4.841) 9.267 3.926 ( 7.829 -1.076 4.841) 9.267 4.356 ( -2.260 0.363 -5.858) 6.290 4.356 ( -2.260 0.363 5.858) 6.290 5.099 ( 2.637 1.409 -2.779) 4.082 5.099 ( 2.637 1.409 2.779) 4.082 5.721 ( 0.645 0.500 -5.678) 5.736 5.721 ( 0.645 0.500 5.678) 5.736 5.972 ( -0.261 -0.430 -3.581) 3.616 5.972 ( -0.261 -0.430 3.581) 3.616 8.254 ( 3.932 0.975 -4.801) 6.282 8.254 ( 3.932 0.975 4.801) 6.282 8.585 ( -1.623 -0.090 -8.191) 8.351 8.585 ( -1.623 -0.090 8.191) 8.351 8.792 ( -2.196 -1.933 -2.443) 3.811 8.792 ( -2.196 -1.933 2.443) 3.811 19.211 ( -0.298 0.357 -10.761) 10.771 19.211 ( -0.298 0.357 10.761) 10.771 19.714 ( -4.867 -1.788 -2.381) 5.706 19.714 ( -4.867 -1.788 2.381) 5.706 22.267 ( 23.890 0.432 -5.961) 24.626 22.267 ( 23.890 0.432 5.961) 24.626 23.187 ( 8.907 -4.711 -0.972) 10.123 23.187 ( 8.907 -4.711 0.972) 10.123 24.719 ( 0.672 -0.568 -19.457) 19.477 24.719 ( 0.672 -0.568 19.457) 19.477 26.633 ( 7.883 -1.638 -6.981) 10.656 26.633 ( 7.883 -1.638 6.981) 10.656 48.150 ( 1.511 -0.932 -6.565) 6.800 48.150 ( 1.511 -0.932 6.565) 6.800 48.863 ( -17.406 -0.012 -3.145) 17.688 48.863 ( -17.406 -0.012 3.145) 17.688 97.662 ( 0.055 -1.737 -2.675) 3.190 97.662 ( 0.055 -1.737 2.675) 3.190 98.170 ( 2.086 0.529 -3.083) 3.759 98.170 ( 2.086 0.529 3.083) 3.759 99.072 ( -2.702 -3.029 -5.243) 6.631 99.072 ( -2.702 -3.029 5.243) 6.631 103.271 ( 4.466 0.075 -19.283) 19.794 103.271 ( 4.466 0.075 19.283) 19.794======================= Grid point 517 (153/168) =======================q-point: ( 0.42 0.30 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 240Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.350 ( 3.724 0.236 -7.725) 8.579 2.350 ( 3.724 0.236 7.725) 8.579 2.575 ( 9.091 -3.029 -6.366) 11.504 2.575 ( 9.091 -3.029 6.366) 11.504 2.923 ( -5.037 -6.752 -6.853) 10.859 2.923 ( -5.037 -6.752 6.853) 10.859 3.494 ( -4.014 -1.140 -18.381) 18.848 3.494 ( -4.014 -1.140 18.381) 18.848 4.058 ( 5.040 -0.365 -7.148) 8.754 4.058 ( 5.040 -0.365 7.148) 8.754 4.322 ( -1.364 -1.065 -5.802) 6.055 4.322 ( -1.364 -1.065 5.802) 6.055 5.150 ( 2.030 1.796 -2.708) 3.832 5.150 ( 2.030 1.796 2.708) 3.832 5.718 ( -0.486 1.405 -8.382) 8.513 5.718 ( -0.486 1.405 8.382) 8.513 5.985 ( 0.988 0.353 -2.803) 2.992 5.985 ( 0.988 0.353 2.803) 2.992 8.288 ( 0.229 1.612 -5.745) 5.972 8.288 ( 0.229 1.612 5.745) 5.972 8.575 ( 0.198 -0.715 -9.263) 9.293 8.575 ( 0.198 -0.715 9.263) 9.293 8.772 ( -0.134 -1.805 -2.629) 3.192 8.772 ( -0.134 -1.805 2.629) 3.192 19.209 ( 0.044 0.711 -11.432) 11.455 19.209 ( 0.044 0.711 11.432) 11.455 19.637 ( -2.702 -1.821 -3.134) 4.521 19.637 ( -2.702 -1.821 3.134) 4.521 22.669 ( 15.024 0.271 -5.692) 16.068 22.669 ( 15.024 0.271 5.692) 16.068 23.311 ( 3.455 -4.673 -1.675) 6.048 23.311 ( 3.455 -4.673 1.675) 6.048 24.734 ( 0.647 0.028 -19.314) 19.325 24.734 ( 0.647 0.028 19.314) 19.325 26.754 ( 4.111 -1.667 -7.582) 8.785 26.754 ( 4.111 -1.667 7.582) 8.785 48.204 ( 4.097 -0.960 -5.016) 6.548 48.204 ( 4.097 -0.960 5.016) 6.548 48.549 ( -13.361 -0.435 -0.868) 13.396 48.549 ( -13.361 -0.435 0.868) 13.396 97.657 ( -0.381 -1.854 -3.129) 3.657 97.657 ( -0.381 -1.854 3.129) 3.657 98.197 ( 0.652 0.049 -1.820) 1.934 98.197 ( 0.652 0.049 1.820) 1.934 99.036 ( -0.999 -1.635 -5.680) 5.995 99.036 ( -0.999 -1.635 5.680) 5.995 103.347 ( 2.813 0.041 -18.672) 18.883 103.347 ( 2.813 0.041 18.672) 18.883======================= Grid point 519 (154/168) =======================q-point: (-0.50 0.30 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.381 ( 0.000 0.224 -10.709) 10.712 2.381 ( 0.000 0.224 10.709) 10.712 2.768 ( 0.000 -2.897 -8.096) 8.598 2.768 ( 0.000 -2.897 8.096) 8.598 2.781 ( -0.000 -9.169 -8.792) 12.703 2.781 ( -0.000 -9.169 8.792) 12.703 3.447 ( 0.000 -0.033 -18.538) 18.538 3.447 ( 0.000 -0.033 18.538) 18.538 4.113 ( 0.000 -0.801 -8.683) 8.720 4.113 ( 0.000 -0.801 8.683) 8.720 4.305 ( 0.000 -1.352 -6.088) 6.236 4.305 ( 0.000 -1.352 6.088) 6.236 5.171 ( 0.000 1.763 -2.691) 3.217 5.171 ( 0.000 1.763 2.691) 3.217 5.712 ( 0.000 1.937 -9.215) 9.416 5.712 ( 0.000 1.937 9.215) 9.416 5.997 ( 0.000 0.527 -2.906) 2.953 5.997 ( 0.000 0.527 2.906) 2.953 8.288 ( 0.000 1.799 -5.967) 6.232 8.288 ( 0.000 1.799 5.967) 6.232 8.578 ( 0.000 -1.203 -10.102) 10.173 8.578 ( 0.000 -1.203 10.102) 10.173 8.773 ( 0.000 -1.418 -3.065) 3.377 8.773 ( 0.000 -1.418 3.065) 3.377 19.210 ( 0.000 0.871 -11.805) 11.837 19.210 ( 0.000 0.871 11.805) 11.837 19.609 ( 0.000 -1.895 -3.546) 4.020 19.609 ( 0.000 -1.895 3.546) 4.020 22.829 ( 0.000 0.195 -5.653) 5.656 22.829 ( 0.000 0.195 5.653) 5.656 23.341 ( 0.000 -4.618 -1.890) 4.989 23.341 ( 0.000 -4.618 1.890) 4.989 24.741 ( 0.000 0.224 -19.314) 19.315 24.741 ( 0.000 0.224 19.314) 19.315 26.796 ( 0.000 -1.672 -7.776) 7.953 26.796 ( 0.000 -1.672 7.776) 7.953 48.309 ( 0.000 -0.847 -4.447) 4.527 48.309 ( 0.000 -0.847 4.447) 4.527 48.349 ( 0.000 -0.717 -0.315) 0.783 48.349 ( 0.000 -0.717 0.315) 0.783 97.652 ( 0.000 -1.928 -3.331) 3.849 97.652 ( 0.000 -1.928 3.331) 3.849 98.202 ( 0.000 -0.001 -1.344) 1.344 98.202 ( 0.000 -0.001 1.344) 1.344 99.027 ( 0.000 -1.244 -5.905) 6.035 99.027 ( 0.000 -1.244 5.905) 6.035 103.377 ( 0.000 0.043 -18.475) 18.475 103.377 ( 0.000 0.043 18.475) 18.475======================= Grid point 533 (155/168) =======================q-point: ( 0.00 0.40 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.768 ( 0.000 10.319 -2.444) 10.605 1.768 ( 0.000 10.319 2.444) 10.605 1.977 ( 0.000 16.576 -3.652) 16.974 1.977 ( 0.000 16.576 3.652) 16.974 2.602 ( 0.000 -7.046 -1.591) 7.224 2.602 ( 0.000 -7.046 1.591) 7.224 2.971 ( 0.000 -13.605 -6.834) 15.225 2.971 ( 0.000 -13.605 6.834) 15.225 3.920 ( 0.000 8.315 -15.692) 17.759 3.920 ( 0.000 8.315 15.692) 17.759 4.748 ( 0.000 -2.933 -7.312) 7.878 4.748 ( 0.000 -2.933 7.312) 7.878 4.935 ( 0.000 -0.059 -0.143) 0.154 4.935 ( 0.000 -0.059 0.143) 0.154 5.506 ( 0.000 0.593 -8.702) 8.722 5.506 ( 0.000 0.593 8.702) 8.722 6.136 ( 0.000 -5.512 -7.487) 9.297 6.136 ( 0.000 -5.512 7.487) 9.297 7.518 ( 0.000 -0.062 -0.088) 0.107 7.518 ( 0.000 -0.062 0.088) 0.107 8.801 ( 0.000 0.440 -7.908) 7.920 8.801 ( 0.000 0.440 7.908) 7.920 9.235 ( 0.000 0.784 -3.325) 3.416 9.235 ( 0.000 0.784 3.325) 3.416 19.244 ( 0.000 -0.518 -9.412) 9.426 19.244 ( 0.000 -0.518 9.412) 9.426 20.356 ( 0.000 -3.180 -10.974) 11.425 20.356 ( 0.000 -3.180 10.974) 11.425 20.385 ( 0.000 -0.054 -0.517) 0.520 20.385 ( 0.000 -0.054 0.517) 0.520 22.374 ( 0.000 0.634 -9.448) 9.469 22.374 ( 0.000 0.634 9.448) 9.469 24.743 ( 0.000 -3.318 -24.892) 25.112 24.743 ( 0.000 -3.318 24.892) 25.112 25.921 ( 0.000 1.050 -0.431) 1.135 25.921 ( 0.000 1.050 0.431) 1.135 48.146 ( 0.000 -0.231 -7.460) 7.464 48.146 ( 0.000 -0.231 7.460) 7.464 49.924 ( 0.000 0.311 -8.318) 8.324 49.924 ( 0.000 0.311 8.318) 8.324 97.398 ( 0.000 0.171 -0.182) 0.250 97.398 ( 0.000 0.171 0.182) 0.250 98.107 ( 0.000 3.398 -7.315) 8.065 98.107 ( 0.000 3.398 7.315) 8.065 99.164 ( 0.000 -7.130 -4.720) 8.550 99.164 ( 0.000 -7.130 4.720) 8.550 103.081 ( 0.000 0.118 -22.841) 22.842 103.081 ( 0.000 0.118 22.841) 22.842======================= Grid point 535 (156/168) =======================q-point: ( 0.08 0.40 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 240Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.855 ( 5.653 11.454 -2.908) 13.100 1.855 ( 5.653 11.454 2.908) 13.100 2.067 ( 10.307 12.731 -2.359) 16.549 2.067 ( 10.307 12.731 2.359) 16.549 2.639 ( 2.539 -8.289 -1.215) 8.754 2.639 ( 2.539 -8.289 1.215) 8.754 3.030 ( 6.802 -11.181 -5.571) 14.224 3.030 ( 6.802 -11.181 5.571) 14.224 3.886 ( -3.192 7.455 -14.928) 16.989 3.886 ( -3.192 7.455 14.928) 16.989 4.684 ( -5.342 -1.641 -5.649) 7.946 4.684 ( -5.342 -1.641 5.649) 7.946 4.968 ( 2.389 -0.901 -0.914) 2.712 4.968 ( 2.389 -0.901 0.914) 2.712 5.534 ( 2.683 0.733 -7.882) 8.359 5.534 ( 2.683 0.733 7.882) 8.359 6.102 ( -3.043 -4.728 -7.551) 9.415 6.102 ( -3.043 -4.728 7.551) 9.415 7.623 ( 9.686 -0.412 -0.732) 9.722 7.623 ( 9.686 -0.412 0.732) 9.722 8.778 ( -2.197 0.365 -7.967) 8.273 8.778 ( -2.197 0.365 7.967) 8.273 9.173 ( -5.835 0.650 -3.266) 6.719 9.173 ( -5.835 0.650 3.266) 6.719 19.241 ( -0.329 -0.448 -9.461) 9.477 19.241 ( -0.329 -0.448 9.461) 9.477 20.120 ( -10.387 -1.833 -4.429) 11.440 20.120 ( -10.387 -1.833 4.429) 11.440 20.728 ( 20.791 -0.995 -6.635) 21.847 20.728 ( 20.791 -0.995 6.635) 21.847 22.452 ( 7.427 0.038 -8.280) 11.123 22.452 ( 7.427 0.038 8.280) 11.123 24.723 ( -1.689 -2.767 -23.639) 23.860 24.723 ( -1.689 -2.767 23.639) 23.860 26.004 ( 7.704 0.559 -1.074) 7.799 26.004 ( 7.704 0.559 1.074) 7.799 48.141 ( -0.460 -0.262 -7.452) 7.470 48.141 ( -0.460 -0.262 7.452) 7.470 49.833 ( -8.771 0.320 -7.950) 11.842 49.833 ( -8.771 0.320 7.950) 11.842 97.445 ( 4.268 -0.176 -0.411) 4.291 97.445 ( 4.268 -0.176 0.411) 4.291 98.107 ( 0.145 3.125 -6.881) 7.558 98.107 ( 0.145 3.125 6.881) 7.558 99.148 ( -1.553 -6.534 -4.462) 8.063 99.148 ( -1.553 -6.534 4.462) 8.063 103.087 ( 0.735 0.161 -22.334) 22.346 103.087 ( 0.735 0.161 22.334) 22.346======================= Grid point 537 (157/168) =======================q-point: ( 0.17 0.40 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 240Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.951 ( 4.678 9.922 -4.655) 11.916 1.951 ( 4.678 9.922 4.655) 11.916 2.336 ( 12.883 7.971 -5.287) 16.046 2.336 ( 12.883 7.971 5.287) 16.046 2.677 ( 2.002 -9.719 -1.652) 10.060 2.677 ( 2.002 -9.719 1.652) 10.060 3.259 ( 14.781 -6.653 -2.358) 16.380 3.259 ( 14.781 -6.653 2.358) 16.380 3.805 ( -4.378 5.067 -12.300) 14.005 3.805 ( -4.378 5.067 12.300) 14.005 4.564 ( -6.138 -0.238 -4.128) 7.401 4.564 ( -6.138 -0.238 4.128) 7.401 5.013 ( 2.109 -0.805 -1.472) 2.695 5.013 ( 2.109 -0.805 1.472) 2.695 5.606 ( 4.157 0.704 -5.884) 7.239 5.606 ( 4.157 0.704 5.884) 7.239 6.031 ( -3.511 -3.137 -7.489) 8.846 6.031 ( -3.511 -3.137 7.489) 8.846 7.863 ( 13.043 -0.662 -2.021) 13.215 7.863 ( 13.043 -0.662 2.021) 13.215 8.718 ( -3.611 0.151 -8.008) 8.786 8.718 ( -3.611 0.151 8.008) 8.786 9.021 ( -8.500 0.258 -3.134) 9.063 9.021 ( -8.500 0.258 3.134) 9.063 19.232 ( -0.560 -0.265 -9.592) 9.612 19.232 ( -0.560 -0.265 9.592) 9.612 19.938 ( -7.849 -1.560 -3.365) 8.682 19.938 ( -7.849 -1.560 3.365) 8.682 21.203 ( 25.919 -0.401 -7.297) 26.929 21.203 ( 25.919 -0.401 7.297) 26.929 22.652 ( 11.807 -1.199 -5.492) 13.077 22.652 ( 11.807 -1.199 5.492) 13.077 24.693 ( -0.958 -1.757 -21.416) 21.509 24.693 ( -0.958 -1.757 21.416) 21.509 26.200 ( 10.993 -0.242 -3.428) 11.518 26.200 ( 10.993 -0.242 3.428) 11.518 48.130 ( -0.565 -0.352 -7.373) 7.403 48.130 ( -0.565 -0.352 7.373) 7.403 49.584 ( -15.456 0.296 -6.933) 16.942 49.584 ( -15.456 0.296 6.933) 16.942 97.544 ( 4.757 -0.780 -1.216) 4.971 97.544 ( 4.757 -0.780 1.216) 4.971 98.117 ( 0.941 2.320 -5.487) 6.031 98.117 ( 0.941 2.320 5.487) 6.031 99.106 ( -2.394 -4.994 -4.019) 6.843 99.106 ( -2.394 -4.994 4.019) 6.843 103.117 ( 2.380 0.187 -21.171) 21.305 103.117 ( 2.380 0.187 21.171) 21.305======================= Grid point 539 (158/168) =======================q-point: ( 0.25 0.40 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 240Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.061 ( 6.282 5.157 -7.352) 10.959 2.061 ( 6.282 5.157 7.352) 10.959 2.487 ( 2.365 3.070 -10.633) 11.317 2.487 ( 2.365 3.070 10.633) 11.317 2.768 ( 6.206 -6.217 -2.451) 9.120 2.768 ( 6.206 -6.217 2.451) 9.120 3.527 ( 7.688 -3.321 -12.721) 15.230 3.527 ( 7.688 -3.321 12.721) 15.230 3.757 ( 2.549 1.538 -5.345) 6.118 3.757 ( 2.549 1.538 5.345) 6.118 4.449 ( -5.038 0.586 -3.528) 6.178 4.449 ( -5.038 0.586 3.528) 6.178 5.061 ( 2.813 0.241 -1.650) 3.270 5.061 ( 2.813 0.241 1.650) 3.270 5.685 ( 3.275 0.316 -3.211) 4.598 5.685 ( 3.275 0.316 3.211) 4.598 5.974 ( -1.837 -1.466 -5.952) 6.399 5.974 ( -1.837 -1.466 5.952) 6.399 8.110 ( 10.632 -0.265 -3.287) 11.132 8.110 ( 10.632 -0.265 3.287) 11.132 8.641 ( -3.721 -0.076 -7.730) 8.579 8.641 ( -3.721 -0.076 7.730) 8.579 8.860 ( -6.867 -0.361 -2.901) 7.463 8.860 ( -6.867 -0.361 2.901) 7.463 19.221 ( -0.426 -0.029 -9.876) 9.885 19.221 ( -0.426 -0.029 9.876) 9.885 19.797 ( -6.267 -1.250 -2.695) 6.936 19.797 ( -6.267 -1.250 2.695) 6.936 21.748 ( 27.402 0.017 -7.156) 28.321 21.748 ( 27.402 0.017 7.156) 28.321 22.899 ( 12.046 -2.209 -2.453) 12.490 22.899 ( 12.046 -2.209 2.453) 12.490 24.689 ( 0.570 -0.918 -19.644) 19.673 24.689 ( 0.570 -0.918 19.644) 19.673 26.421 ( 10.455 -0.736 -5.313) 11.750 26.421 ( 10.455 -0.736 5.313) 11.750 48.123 ( -0.032 -0.476 -7.052) 7.068 48.123 ( -0.032 -0.476 7.052) 7.068 49.235 ( -18.598 0.172 -5.413) 19.371 49.235 ( -18.598 0.172 5.413) 19.371 97.615 ( 2.129 -1.046 -1.338) 2.723 97.615 ( 2.129 -1.046 1.338) 2.723 98.146 ( 1.768 1.194 -3.398) 4.013 98.146 ( 1.768 1.194 3.398) 4.013 99.059 ( -2.132 -3.156 -4.149) 5.632 99.059 ( -2.132 -3.156 4.149) 5.632 103.184 ( 4.099 0.123 -19.968) 20.385 103.184 ( 4.099 0.123 19.968) 20.385======================= Grid point 541 (159/168) =======================q-point: ( 0.33 0.40 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 240Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.200 ( 7.306 0.307 -9.085) 11.662 2.200 ( 7.306 0.307 9.085) 11.662 2.506 ( 0.715 1.629 -10.630) 10.778 2.506 ( 0.715 1.629 10.630) 10.778 2.849 ( 0.998 -4.531 -5.662) 7.320 2.849 ( 0.998 -4.531 5.662) 7.320 3.533 ( -3.101 -2.052 -19.555) 19.905 3.533 ( -3.101 -2.052 19.555) 19.905 3.915 ( 8.951 -0.060 -2.117) 9.198 3.915 ( 8.951 -0.060 2.117) 9.198 4.364 ( -3.449 0.385 -4.307) 5.531 4.364 ( -3.449 0.385 4.307) 5.531 5.126 ( 3.419 1.159 -1.459) 3.894 5.126 ( 3.419 1.159 1.459) 3.894 5.728 ( 1.108 0.231 -4.187) 4.337 5.728 ( 1.108 0.231 4.187) 4.337 5.964 ( 0.692 -0.306 -2.387) 2.504 5.964 ( 0.692 -0.306 2.387) 2.504 8.267 ( 4.655 0.374 -4.980) 6.827 8.267 ( 4.655 0.374 4.980) 6.827 8.583 ( -1.766 -0.111 -7.711) 7.912 8.583 ( -1.766 -0.111 7.711) 7.912 8.762 ( -2.707 -1.034 -1.806) 3.415 8.762 ( -2.707 -1.034 1.806) 3.415 19.217 ( 0.023 0.219 -10.491) 10.493 19.217 ( 0.023 0.219 10.491) 10.493 19.685 ( -4.805 -1.107 -2.026) 5.331 19.685 ( -4.805 -1.107 2.026) 5.331 22.273 ( 23.875 0.159 -6.752) 24.812 22.273 ( 23.875 0.159 6.752) 24.812 23.113 ( 8.691 -2.680 -0.460) 9.106 23.113 ( 8.691 -2.680 0.460) 9.106 24.710 ( 1.300 -0.338 -18.519) 18.568 24.710 ( 1.300 -0.338 18.519) 18.568 26.607 ( 7.779 -0.941 -6.519) 10.193 26.607 ( 7.779 -0.941 6.519) 10.193 48.135 ( 1.420 -0.577 -6.212) 6.399 48.135 ( 1.420 -0.577 6.212) 6.399 48.862 ( -17.738 -0.043 -3.449) 18.070 48.862 ( -17.738 -0.043 3.449) 18.070 97.634 ( -0.003 -1.099 -1.428) 1.802 97.634 ( -0.003 -1.099 1.428) 1.802 98.179 ( 1.366 0.360 -1.758) 2.255 98.179 ( 1.366 0.360 1.758) 2.255 99.025 ( -1.170 -1.714 -4.946) 5.364 99.025 ( -1.170 -1.714 4.946) 5.364 103.273 ( 4.401 0.049 -19.055) 19.556 103.273 ( 4.401 0.049 19.055) 19.556======================= Grid point 543 (160/168) =======================q-point: ( 0.42 0.40 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 240Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.333 ( 5.043 -1.567 -7.998) 9.585 2.333 ( 5.043 -1.567 7.998) 9.585 2.544 ( 3.638 -0.248 -7.067) 7.952 2.544 ( 3.638 -0.248 7.067) 7.952 2.808 ( -4.604 -4.635 -8.407) 10.647 2.808 ( -4.604 -4.635 8.407) 10.647 3.472 ( -2.464 -1.049 -20.178) 20.355 3.472 ( -2.464 -1.049 20.178) 20.355 4.055 ( 4.807 0.051 -6.969) 8.467 4.055 ( 4.807 0.051 6.969) 8.467 4.308 ( -2.123 -0.402 -6.215) 6.580 4.308 ( -2.123 -0.402 6.215) 6.580 5.185 ( 2.183 1.565 -1.610) 3.132 5.185 ( 2.183 1.565 1.610) 3.132 5.740 ( 0.278 0.803 -7.362) 7.411 5.740 ( 0.278 0.803 7.362) 7.411 5.987 ( 1.140 -0.075 -2.152) 2.437 5.987 ( 1.140 -0.075 2.152) 2.437 8.311 ( 0.511 0.695 -6.004) 6.065 8.311 ( 0.511 0.695 6.004) 6.065 8.565 ( -0.375 -0.294 -9.316) 9.328 8.565 ( -0.375 -0.294 9.316) 9.328 8.743 ( 0.294 -1.069 -1.904) 2.203 8.743 ( 0.294 -1.069 1.904) 2.203 19.221 ( 0.294 0.453 -11.422) 11.435 19.221 ( 0.294 0.453 11.422) 11.435 19.607 ( -2.800 -1.142 -1.678) 3.458 19.607 ( -2.800 -1.142 1.678) 3.458 22.673 ( 14.941 0.137 -6.455) 16.276 22.673 ( 14.941 0.137 6.455) 16.276 23.236 ( 3.469 -2.793 -1.585) 4.727 23.236 ( 3.469 -2.793 1.585) 4.727 24.734 ( 0.958 0.008 -17.955) 17.980 24.734 ( 0.958 0.008 17.955) 17.980 26.727 ( 4.084 -1.010 -7.180) 8.321 26.727 ( 4.084 -1.010 7.180) 8.321 48.189 ( 4.149 -0.594 -4.627) 6.243 48.189 ( 4.149 -0.594 4.627) 6.243 48.542 ( -13.670 -0.283 -1.096) 13.717 48.542 ( -13.670 -0.283 1.096) 13.717 97.627 ( -0.468 -1.154 -1.638) 2.058 97.627 ( -0.468 -1.154 1.638) 2.058 98.198 ( 0.513 0.066 -1.007) 1.132 98.198 ( 0.513 0.066 1.007) 1.132 99.010 ( -0.371 -0.956 -5.697) 5.789 99.010 ( -0.371 -0.956 5.697) 5.789 103.348 ( 2.807 0.023 -18.506) 18.717 103.348 ( 2.807 0.023 18.506) 18.717======================= Grid point 545 (161/168) =======================q-point: (-0.50 0.40 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.383 ( 0.000 0.045 -9.494) 9.494 2.383 ( 0.000 0.045 9.494) 9.494 2.626 ( 0.000 -6.090 -9.894) 11.618 2.626 ( 0.000 -6.090 9.894) 11.618 2.717 ( -0.000 -2.105 -6.682) 7.006 2.717 ( -0.000 -2.105 6.682) 7.006 3.445 ( 0.000 -0.118 -19.895) 19.895 3.445 ( 0.000 -0.118 19.895) 19.895 4.105 ( 0.000 -0.118 -9.332) 9.332 4.105 ( 0.000 -0.118 9.332) 9.332 4.284 ( 0.000 -0.729 -7.591) 7.626 4.284 ( 0.000 -0.729 7.591) 7.626 5.208 ( 0.000 1.673 -1.812) 2.467 5.208 ( 0.000 1.673 1.812) 2.467 5.743 ( 0.000 1.134 -8.277) 8.354 5.743 ( 0.000 1.134 8.277) 8.354 6.000 ( 0.000 -0.110 -2.669) 2.671 6.000 ( 0.000 -0.110 2.669) 2.671 8.313 ( 0.000 0.789 -6.150) 6.200 8.313 ( 0.000 0.789 6.150) 6.200 8.561 ( 0.000 -0.534 -10.100) 10.114 8.561 ( 0.000 -0.534 10.100) 10.114 8.750 ( 0.000 -0.856 -2.575) 2.713 8.750 ( 0.000 -0.856 2.575) 2.713 19.224 ( 0.000 0.566 -11.970) 11.983 19.224 ( 0.000 0.566 11.970) 11.983 19.578 ( 0.000 -1.199 -1.831) 2.189 19.578 ( 0.000 -1.199 1.831) 2.189 22.833 ( 0.000 0.146 -6.402) 6.404 22.833 ( 0.000 0.146 6.402) 6.404 23.266 ( 0.000 -2.836 -2.034) 3.490 23.266 ( 0.000 -2.836 2.034) 3.490 24.745 ( 0.000 0.126 -17.797) 17.797 24.745 ( 0.000 0.126 17.797) 17.797 26.769 ( 0.000 -1.025 -7.391) 7.461 26.769 ( 0.000 -1.025 7.391) 7.461 48.295 ( 0.000 -0.529 -3.838) 3.875 48.295 ( 0.000 -0.529 3.838) 3.875 48.338 ( -0.000 -0.447 -0.136) 0.467 48.338 ( -0.000 -0.447 0.136) 0.467 97.621 ( 0.000 -1.183 -1.727) 2.093 97.621 ( 0.000 -1.183 1.727) 2.093 98.203 ( 0.000 0.026 -0.834) 0.834 98.203 ( 0.000 0.026 0.834) 0.834 99.007 ( 0.000 -0.744 -5.971) 6.017 99.007 ( 0.000 -0.744 5.971) 6.017 103.377 ( 0.000 0.022 -18.324) 18.324 103.377 ( 0.000 0.022 18.324) 18.324======================= Grid point 559 (162/168) =======================q-point: ( 0.00 -0.50 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.881 ( 0.000 0.000 -1.188) 1.188 1.881 ( 0.000 0.000 1.188) 1.188 2.194 ( 0.000 -0.000 -2.897) 2.897 2.194 ( 0.000 0.000 2.897) 2.897 2.521 ( 0.000 0.000 -0.742) 0.742 2.521 ( 0.000 0.000 0.742) 0.742 2.780 ( 0.000 0.000 -5.342) 5.342 2.780 ( 0.000 -0.000 5.342) 5.342 4.017 ( 0.000 0.000 -7.346) 7.346 4.017 ( 0.000 0.000 7.346) 7.346 4.708 ( 0.000 0.000 -0.142) 0.142 4.708 ( 0.000 0.000 0.142) 0.142 4.934 ( 0.000 0.000 -0.157) 0.157 4.934 ( 0.000 0.000 0.157) 0.157 5.516 ( 0.000 0.000 -8.808) 8.808 5.516 ( 0.000 0.000 8.808) 8.808 6.079 ( 0.000 0.000 -5.995) 5.995 6.079 ( 0.000 0.000 5.995) 5.995 7.517 ( 0.000 0.000 -0.120) 0.120 7.517 ( 0.000 0.000 0.120) 0.120 8.805 ( 0.000 0.000 -7.833) 7.833 8.805 ( 0.000 0.000 7.833) 7.833 9.242 ( 0.000 0.000 -3.150) 3.150 9.242 ( 0.000 0.000 3.150) 3.150 19.239 ( 0.000 0.000 -9.313) 9.313 19.239 ( 0.000 0.000 9.313) 9.313 20.325 ( 0.000 0.000 -11.349) 11.349 20.325 ( 0.000 0.000 11.349) 11.349 20.384 ( 0.000 0.000 -0.314) 0.314 20.384 ( 0.000 0.000 0.314) 0.314 22.380 ( 0.000 0.000 -9.449) 9.449 22.380 ( 0.000 0.000 9.449) 9.449 24.711 ( 0.000 0.000 -24.686) 24.686 24.711 ( 0.000 0.000 24.686) 24.686 25.931 ( 0.000 0.000 -0.401) 0.401 25.931 ( 0.000 0.000 0.401) 0.401 48.144 ( 0.000 0.000 -7.367) 7.367 48.144 ( 0.000 0.000 7.367) 7.367 49.927 ( 0.000 0.000 -8.291) 8.291 49.927 ( 0.000 0.000 8.291) 8.291 97.400 ( 0.000 0.000 -0.186) 0.186 97.400 ( 0.000 0.000 0.186) 0.186 98.142 ( 0.000 0.000 -6.876) 6.876 98.142 ( 0.000 0.000 6.876) 6.876 99.093 ( 0.000 0.000 -0.863) 0.863 99.093 ( 0.000 0.000 0.863) 0.863 103.082 ( 0.000 0.000 -22.288) 22.288 103.082 ( 0.000 0.000 22.288) 22.288======================= Grid point 563 (163/168) =======================q-point: ( 0.08 -0.50 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 144Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.991 ( 7.866 0.000 -1.033) 7.934 1.991 ( 7.866 0.000 1.033) 7.934 2.222 ( 4.539 0.000 -0.941) 4.635 2.222 ( 4.539 0.000 0.941) 4.635 2.538 ( 1.024 -0.000 -0.617) 1.196 2.538 ( 1.024 0.000 0.617) 1.196 2.884 ( 10.579 0.000 -3.525) 11.151 2.884 ( 10.579 -0.000 3.525) 11.151 3.972 ( -4.239 0.000 -7.268) 8.414 3.972 ( -4.239 0.000 7.268) 8.414 4.659 ( -4.324 0.000 -0.304) 4.334 4.659 ( -4.324 0.000 0.304) 4.334 4.960 ( 2.062 0.000 -0.372) 2.095 4.960 ( 2.062 0.000 0.372) 2.095 5.544 ( 2.689 0.000 -7.998) 8.438 5.544 ( 2.689 0.000 7.998) 8.438 6.052 ( -2.338 0.000 -6.624) 7.025 6.052 ( -2.338 0.000 6.624) 7.025 7.619 ( 9.439 0.000 -0.670) 9.462 7.619 ( 9.439 0.000 0.670) 9.462 8.782 ( -2.272 0.000 -7.851) 8.173 8.782 ( -2.272 0.000 7.851) 8.173 9.179 ( -5.964 0.000 -3.131) 6.736 9.179 ( -5.964 0.000 3.131) 6.736 19.236 ( -0.262 0.000 -9.341) 9.345 19.236 ( -0.262 0.000 9.341) 9.345 20.101 ( -10.292 0.000 -4.961) 11.425 20.101 ( -10.292 0.000 4.961) 11.425 20.719 ( 21.039 0.000 -6.658) 22.067 20.719 ( 21.039 0.000 6.658) 22.067 22.452 ( 6.910 0.000 -8.395) 10.874 22.452 ( 6.910 0.000 8.395) 10.874 24.696 ( -1.248 0.000 -23.530) 23.563 24.696 ( -1.248 0.000 23.530) 23.563 26.010 ( 7.311 0.000 -0.830) 7.358 26.010 ( 7.311 0.000 0.830) 7.358 48.139 ( -0.491 0.000 -7.355) 7.372 48.139 ( -0.491 0.000 7.355) 7.372 49.836 ( -8.766 0.000 -7.949) 11.833 49.836 ( -8.766 0.000 7.949) 11.833 97.444 ( 3.973 0.000 -0.204) 3.978 97.444 ( 3.973 0.000 0.204) 3.978 98.140 ( -0.150 0.000 -6.383) 6.385 98.140 ( -0.150 0.000 6.383) 6.385 99.082 ( -0.974 0.000 -1.212) 1.554 99.082 ( -0.974 0.000 1.212) 1.554 103.089 ( 0.765 0.000 -21.862) 21.875 103.089 ( 0.765 0.000 21.862) 21.875======================= Grid point 567 (164/168) =======================q-point: ( 0.17 -0.50 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 144Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.083 ( 2.167 0.000 -2.913) 3.631 2.083 ( 2.167 -0.000 2.913) 3.631 2.403 ( 9.448 0.000 -2.596) 9.798 2.403 ( 9.448 0.000 2.596) 9.798 2.570 ( 3.810 -0.000 -2.537) 4.578 2.570 ( 3.810 0.000 2.537) 4.578 3.180 ( 17.270 0.000 -0.403) 17.275 3.180 ( 17.270 0.000 0.403) 17.275 3.862 ( -6.085 0.000 -6.516) 8.916 3.862 ( -6.085 0.000 6.516) 8.916 4.557 ( -5.344 0.000 -0.378) 5.357 4.557 ( -5.344 0.000 0.378) 5.357 5.006 ( 2.482 0.000 -1.229) 2.769 5.006 ( 2.482 0.000 1.229) 2.769 5.614 ( 3.957 0.000 -5.890) 7.096 5.614 ( 3.957 0.000 5.890) 7.096 5.999 ( -2.618 0.000 -7.230) 7.690 5.999 ( -2.618 0.000 7.230) 7.690 7.857 ( 13.074 0.000 -1.785) 13.195 7.857 ( 13.074 0.000 1.785) 13.195 8.719 ( -3.746 0.000 -7.774) 8.630 8.719 ( -3.746 0.000 7.774) 8.630 9.024 ( -8.743 0.000 -3.109) 9.279 9.024 ( -8.743 0.000 3.109) 9.279 19.229 ( -0.449 0.000 -9.436) 9.446 19.229 ( -0.449 0.000 9.436) 9.446 19.923 ( -7.686 0.000 -3.808) 8.578 19.923 ( -7.686 0.000 3.808) 8.578 21.199 ( 26.174 0.000 -7.509) 27.230 21.199 ( 26.174 0.000 7.509) 27.230 22.641 ( 11.203 0.000 -5.768) 12.600 22.641 ( 11.203 0.000 5.768) 12.600 24.676 ( -0.496 0.000 -21.344) 21.350 24.676 ( -0.496 0.000 21.344) 21.350 26.198 ( 10.652 0.000 -3.135) 11.103 26.198 ( 10.652 0.000 3.135) 11.103 48.127 ( -0.622 0.000 -7.267) 7.294 48.127 ( -0.622 0.000 7.267) 7.294 49.587 ( -15.487 0.000 -6.983) 16.989 49.587 ( -15.487 0.000 6.983) 16.989 97.536 ( 4.514 0.000 -0.721) 4.571 97.536 ( 4.514 0.000 0.721) 4.571 98.141 ( 0.402 0.000 -4.842) 4.859 98.141 ( 0.402 0.000 4.842) 4.859 99.056 ( -1.484 0.000 -2.187) 2.643 99.056 ( -1.484 0.000 2.187) 2.643 103.119 ( 2.369 0.000 -20.866) 21.000 103.119 ( 2.369 0.000 20.866) 21.000======================= Grid point 571 (165/168) =======================q-point: ( 0.25 -0.50 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 144Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.129 ( 2.879 0.000 -6.580) 7.182 2.129 ( 2.879 0.000 6.580) 7.182 2.490 ( 1.442 -0.000 -0.799) 1.648 2.490 ( 1.442 0.000 0.799) 1.648 2.720 ( 7.799 0.000 -2.082) 8.072 2.720 ( 7.799 -0.000 2.082) 8.072 3.485 ( 9.318 0.000 -11.788) 15.026 3.485 ( 9.318 0.000 11.788) 15.026 3.778 ( 0.559 0.000 -0.930) 1.085 3.778 ( 0.559 0.000 0.930) 1.085 4.454 ( -4.749 0.000 -0.643) 4.793 4.454 ( -4.749 0.000 0.643) 4.793 5.064 ( 3.370 0.000 -1.272) 3.602 5.064 ( 3.370 0.000 1.272) 3.602 5.688 ( 3.029 0.000 -2.221) 3.756 5.688 ( 3.029 0.000 2.221) 3.756 5.960 ( -1.019 0.000 -5.609) 5.701 5.960 ( -1.019 0.000 5.609) 5.701 8.107 ( 10.941 0.000 -3.197) 11.398 8.107 ( 10.941 0.000 3.197) 11.398 8.640 ( -3.807 0.000 -7.347) 8.275 8.640 ( -3.807 0.000 7.347) 8.275 8.857 ( -7.209 0.000 -2.987) 7.803 8.857 ( -7.209 0.000 2.987) 7.803 19.221 ( -0.303 0.000 -9.713) 9.718 19.221 ( -0.303 0.000 9.713) 9.718 19.784 ( -6.148 0.000 -3.079) 6.876 19.784 ( -6.148 0.000 3.079) 6.876 21.747 ( 27.541 0.000 -7.412) 28.521 21.747 ( 27.541 0.000 7.412) 28.521 22.878 ( 11.668 0.000 -2.700) 11.976 22.878 ( 11.668 0.000 2.700) 11.976 24.680 ( 0.913 0.000 -19.447) 19.468 24.680 ( 0.913 0.000 19.447) 19.468 26.414 ( 10.285 0.000 -5.054) 11.460 26.414 ( 10.285 0.000 5.054) 11.460 48.118 ( -0.094 0.000 -6.932) 6.933 48.118 ( -0.094 0.000 6.932) 6.933 49.236 ( -18.684 0.000 -5.502) 19.477 49.236 ( -18.684 0.000 5.502) 19.477 97.605 ( 2.072 0.000 -0.521) 2.136 97.605 ( 2.072 0.000 0.521) 2.136 98.158 ( 1.224 0.000 -2.559) 2.837 98.158 ( 1.224 0.000 2.559) 2.837 99.028 ( -1.273 0.000 -3.538) 3.760 99.028 ( -1.273 0.000 3.538) 3.760 103.185 ( 4.057 0.000 -19.803) 20.214 103.185 ( 4.057 0.000 19.803) 20.214======================= Grid point 575 (166/168) =======================q-point: ( 0.33 -0.50 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 144Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.206 ( 4.770 0.000 -9.477) 10.610 2.206 ( 4.770 0.000 9.477) 10.610 2.517 ( 1.424 0.000 -3.835) 4.091 2.517 ( 1.424 0.000 3.835) 4.091 2.808 ( 0.570 0.000 -7.556) 7.578 2.808 ( 0.570 -0.000 7.556) 7.578 3.508 ( -2.768 0.000 -19.998) 20.188 3.508 ( -2.768 0.000 19.998) 20.188 3.916 ( 8.917 0.000 -1.219) 9.000 3.916 ( 8.917 0.000 1.219) 9.000 4.368 ( -3.758 0.000 -3.138) 4.896 4.368 ( -3.758 0.000 3.138) 4.896 5.138 ( 3.751 0.000 -0.306) 3.764 5.138 ( 3.751 0.000 0.306) 3.764 5.730 ( 1.282 0.000 -3.229) 3.474 5.730 ( 1.282 0.000 3.229) 3.474 5.961 ( 0.989 0.000 -1.334) 1.661 5.961 ( 0.989 0.000 1.334) 1.661 8.270 ( 4.905 0.000 -5.193) 7.143 8.270 ( 4.905 0.000 5.193) 7.143 8.581 ( -1.737 0.000 -7.432) 7.632 8.581 ( -1.737 0.000 7.432) 7.632 8.752 ( -2.959 0.000 -1.514) 3.324 8.752 ( -2.959 0.000 1.514) 3.324 19.219 ( 0.148 0.000 -10.376) 10.377 19.219 ( 0.148 0.000 10.376) 10.377 19.674 ( -4.785 0.000 -2.098) 5.225 19.674 ( -4.785 0.000 2.098) 5.225 22.274 ( 23.894 0.000 -7.004) 24.899 22.274 ( 23.894 0.000 7.004) 24.899 23.087 ( 8.558 0.000 -0.106) 8.559 23.087 ( 8.558 0.000 0.106) 8.559 24.707 ( 1.527 0.000 -18.131) 18.196 24.707 ( 1.527 0.000 18.131) 18.196 26.598 ( 7.714 0.000 -6.316) 9.970 26.598 ( 7.714 0.000 6.316) 9.970 48.129 ( 1.387 0.000 -6.077) 6.233 48.129 ( 1.387 0.000 6.077) 6.233 48.862 ( -17.856 0.000 -3.553) 18.206 48.862 ( -17.856 0.000 3.553) 18.206 97.623 ( -0.028 0.000 -0.106) 0.110 97.623 ( -0.028 0.000 0.106) 0.110 98.183 ( 1.097 0.000 -0.718) 1.311 98.183 ( 1.097 0.000 0.718) 1.311 99.008 ( -0.630 0.000 -4.841) 4.881 99.008 ( -0.630 0.000 4.841) 4.881 103.273 ( 4.376 0.000 -18.964) 19.462 103.273 ( 4.376 0.000 18.964) 19.462======================= Grid point 579 (167/168) =======================q-point: ( 0.42 -0.50 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 144Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.314 ( 5.437 0.000 -9.911) 11.305 2.314 ( 5.437 0.000 9.911) 11.305 2.546 ( 1.366 0.000 -1.176) 1.803 2.546 ( 1.366 0.000 1.176) 1.803 2.759 ( -4.383 0.000 -6.699) 8.006 2.759 ( -4.383 -0.000 6.699) 8.006 3.460 ( -1.635 0.000 -20.606) 20.671 3.460 ( -1.635 0.000 20.607) 20.671 4.056 ( 4.718 0.000 -6.885) 8.346 4.056 ( 4.718 0.000 6.885) 8.346 4.304 ( -2.467 0.000 -6.232) 6.702 4.304 ( -2.467 0.000 6.232) 6.702 5.202 ( 2.319 0.000 -0.743) 2.435 5.202 ( 2.319 0.000 0.743) 2.435 5.748 ( 0.582 0.000 -6.874) 6.899 5.748 ( 0.582 0.000 6.874) 6.899 5.986 ( 1.104 0.000 -1.686) 2.016 5.986 ( 1.104 0.000 1.686) 2.016 8.317 ( 0.591 0.000 -6.359) 6.386 8.317 ( 0.591 0.000 6.359) 6.386 8.562 ( -0.536 0.000 -9.512) 9.527 8.562 ( -0.536 0.000 9.512) 9.527 8.733 ( 0.435 0.000 -1.371) 1.439 8.733 ( 0.435 0.000 1.371) 1.439 19.225 ( 0.397 0.000 -11.405) 11.412 19.225 ( 0.397 0.000 11.405) 11.412 19.596 ( -2.843 0.000 -0.802) 2.954 19.596 ( -2.843 0.000 0.802) 2.954 22.675 ( 14.938 0.000 -6.695) 16.370 22.675 ( 14.938 0.000 6.695) 16.370 23.208 ( 3.431 0.000 -1.566) 3.772 23.208 ( 3.431 0.000 1.566) 3.772 24.734 ( 1.074 0.000 -17.407) 17.440 24.734 ( 1.074 0.000 17.407) 17.440 26.717 ( 4.064 0.000 -7.013) 8.105 26.717 ( 4.064 0.000 7.013) 8.105 48.183 ( 4.168 0.000 -4.475) 6.116 48.183 ( 4.168 0.000 4.475) 6.116 48.539 ( -13.784 0.000 -1.178) 13.834 48.539 ( -13.784 0.000 1.178) 13.834 97.615 ( -0.492 0.000 -0.014) 0.492 97.615 ( -0.492 0.000 0.014) 0.492 98.199 ( 0.456 0.000 -0.153) 0.481 98.199 ( 0.456 0.000 0.153) 0.481 99.001 ( -0.152 0.000 -5.707) 5.709 99.001 ( -0.152 0.000 5.707) 5.709 103.348 ( 2.803 0.000 -18.445) 18.657 103.348 ( 2.803 0.000 18.445) 18.657======================= Grid point 583 (168/168) =======================q-point: (-0.50 -0.50 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.383 ( 0.000 0.000 -6.958) 6.958 2.383 ( 0.000 0.000 6.958) 6.958 2.563 ( 0.000 0.000 -10.562) 10.562 2.563 ( 0.000 0.000 10.562) 10.562 2.695 ( 0.000 0.000 -2.049) 2.049 2.695 ( 0.000 0.000 2.049) 2.049 3.444 ( 0.000 0.000 -20.302) 20.302 3.444 ( 0.000 0.000 20.302) 20.302 4.105 ( 0.000 0.000 -9.614) 9.614 4.105 ( 0.000 0.000 9.614) 9.614 4.277 ( 0.000 0.000 -8.226) 8.226 4.277 ( 0.000 0.000 8.226) 8.226 5.226 ( 0.000 0.000 -1.143) 1.143 5.226 ( 0.000 0.000 1.143) 1.143 5.754 ( 0.000 0.000 -7.883) 7.883 5.754 ( 0.000 0.000 7.883) 7.883 5.998 ( 0.000 0.000 -2.504) 2.504 5.998 ( 0.000 0.000 2.504) 2.504 8.320 ( 0.000 0.000 -6.512) 6.512 8.320 ( 0.000 0.000 6.512) 6.512 8.556 ( 0.000 0.000 -10.328) 10.328 8.556 ( 0.000 0.000 10.328) 10.328 8.741 ( 0.000 0.000 -2.223) 2.223 8.741 ( 0.000 0.000 2.223) 2.223 19.230 ( 0.000 0.000 -12.027) 12.027 19.230 ( 0.000 0.000 12.027) 12.027 19.566 ( 0.000 0.000 -0.070) 0.070 19.566 ( 0.000 0.000 0.070) 0.070 22.835 ( 0.000 0.000 -6.635) 6.635 22.835 ( 0.000 0.000 6.635) 6.635 23.237 ( 0.000 0.000 -2.101) 2.101 23.237 ( 0.000 0.000 2.101) 2.101 24.746 ( 0.000 0.000 -17.188) 17.188 24.746 ( 0.000 0.000 17.188) 17.188 26.759 ( 0.000 0.000 -7.235) 7.235 26.759 ( 0.000 0.000 7.235) 7.235 48.290 ( 0.000 0.000 -3.583) 3.583 48.290 ( 0.000 0.000 3.583) 3.583 48.333 ( -0.000 0.000 -0.008) 0.008 48.333 ( -0.000 0.000 0.008) 0.008 97.609 ( 0.000 0.000 -0.010) 0.010 97.609 ( 0.000 0.000 0.010) 0.010 98.203 ( 0.000 0.000 -0.379) 0.379 98.203 ( 0.000 0.000 0.379) 0.379 99.000 ( 0.000 0.000 -5.996) 5.996 99.000 ( 0.000 0.000 5.996) 5.996 103.378 ( 0.000 0.000 -18.270) 18.270 103.378 ( 0.000 0.000 18.270) 18.270=================== 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 3/34560 10.0 4.803 4.654 4.025 0.000 0.000 0.000 3/34560 20.0 3.167 2.346 2.584 0.000 0.000 0.000 3/34560 30.0 2.166 1.416 1.672 0.000 0.000 0.000 3/34560 40.0 1.593 0.997 1.239 0.000 0.000 0.000 3/34560 50.0 1.248 0.766 0.996 0.000 0.000 0.000 3/34560 60.0 1.025 0.622 0.840 0.000 0.000 0.000 3/34560 70.0 0.873 0.523 0.730 0.000 0.000 0.000 3/34560 80.0 0.763 0.452 0.649 0.000 0.000 0.000 3/34560 90.0 0.680 0.398 0.586 0.000 0.000 0.000 3/34560 100.0 0.615 0.356 0.536 0.000 0.000 0.000 3/34560 110.0 0.563 0.322 0.494 0.000 0.000 0.000 3/34560 120.0 0.520 0.294 0.459 0.000 0.000 0.000 3/34560 130.0 0.485 0.271 0.429 0.000 0.000 0.000 3/34560 140.0 0.455 0.251 0.404 0.000 0.000 0.000 3/34560 150.0 0.430 0.234 0.381 0.000 0.000 0.000 3/34560 160.0 0.408 0.219 0.362 0.000 0.000 0.000 3/34560 170.0 0.389 0.206 0.344 0.000 0.000 0.000 3/34560 180.0 0.372 0.195 0.329 0.000 0.000 0.000 3/34560 190.0 0.358 0.185 0.315 0.000 0.000 0.000 3/34560 200.0 0.345 0.175 0.302 0.000 0.000 0.000 3/34560 210.0 0.333 0.167 0.291 0.000 0.000 0.000 3/34560 220.0 0.322 0.160 0.280 0.000 0.000 0.000 3/34560 230.0 0.313 0.153 0.270 0.000 0.000 0.000 3/34560 240.0 0.304 0.147 0.262 0.000 0.000 0.000 3/34560 250.0 0.295 0.141 0.253 0.000 0.000 0.000 3/34560 260.0 0.288 0.136 0.246 0.000 0.000 0.000 3/34560 270.0 0.281 0.131 0.238 0.000 0.000 0.000 3/34560 280.0 0.274 0.126 0.232 0.000 0.000 0.000 3/34560 290.0 0.267 0.122 0.225 0.000 0.000 0.000 3/34560 300.0 0.261 0.118 0.219 0.000 0.000 0.000 3/34560 310.0 0.255 0.114 0.214 0.000 0.000 0.000 3/34560 320.0 0.250 0.111 0.208 0.000 0.000 0.000 3/34560 330.0 0.245 0.108 0.203 0.000 0.000 0.000 3/34560 340.0 0.240 0.105 0.198 0.000 0.000 0.000 3/34560 350.0 0.235 0.102 0.194 0.000 0.000 0.000 3/34560 360.0 0.230 0.099 0.189 0.000 0.000 0.000 3/34560 370.0 0.226 0.096 0.185 0.000 0.000 0.000 3/34560 380.0 0.221 0.094 0.181 0.000 0.000 0.000 3/34560 390.0 0.217 0.092 0.177 0.000 0.000 0.000 3/34560 400.0 0.213 0.089 0.173 0.000 0.000 0.000 3/34560 410.0 0.209 0.087 0.170 0.000 0.000 0.000 3/34560 420.0 0.205 0.085 0.166 0.000 0.000 0.000 3/34560 430.0 0.202 0.083 0.163 0.000 0.000 0.000 3/34560 440.0 0.198 0.082 0.160 0.000 0.000 0.000 3/34560 450.0 0.195 0.080 0.157 0.000 0.000 0.000 3/34560 460.0 0.192 0.078 0.154 0.000 0.000 0.000 3/34560 470.0 0.188 0.076 0.151 0.000 0.000 0.000 3/34560 480.0 0.185 0.075 0.148 0.000 0.000 0.000 3/34560 490.0 0.182 0.073 0.146 0.000 0.000 0.000 3/34560 500.0 0.180 0.072 0.143 0.000 0.000 0.000 3/34560 510.0 0.177 0.071 0.141 0.000 0.000 0.000 3/34560 520.0 0.174 0.069 0.138 0.000 0.000 0.000 3/34560 530.0 0.171 0.068 0.136 0.000 0.000 0.000 3/34560 540.0 0.169 0.067 0.134 0.000 0.000 0.000 3/34560 550.0 0.166 0.066 0.131 0.000 0.000 0.000 3/34560 560.0 0.164 0.064 0.129 0.000 0.000 0.000 3/34560 570.0 0.162 0.063 0.127 0.000 0.000 0.000 3/34560 580.0 0.159 0.062 0.125 0.000 0.000 0.000 3/34560 590.0 0.157 0.061 0.124 0.000 0.000 0.000 3/34560 600.0 0.155 0.060 0.122 0.000 0.000 0.000 3/34560 610.0 0.153 0.059 0.120 0.000 0.000 0.000 3/34560 620.0 0.151 0.058 0.118 0.000 0.000 0.000 3/34560 630.0 0.149 0.057 0.116 0.000 0.000 0.000 3/34560 640.0 0.147 0.057 0.115 0.000 0.000 0.000 3/34560 650.0 0.145 0.056 0.113 0.000 0.000 0.000 3/34560 660.0 0.143 0.055 0.112 0.000 0.000 0.000 3/34560 670.0 0.141 0.054 0.110 0.000 0.000 0.000 3/34560 680.0 0.139 0.053 0.109 0.000 0.000 0.000 3/34560 690.0 0.138 0.053 0.107 0.000 0.000 0.000 3/34560 700.0 0.136 0.052 0.106 0.000 0.000 0.000 3/34560 710.0 0.134 0.051 0.105 0.000 0.000 0.000 3/34560 720.0 0.133 0.050 0.103 0.000 0.000 0.000 3/34560 730.0 0.131 0.050 0.102 0.000 0.000 0.000 3/34560 740.0 0.130 0.049 0.101 0.000 0.000 0.000 3/34560 750.0 0.128 0.049 0.100 0.000 0.000 0.000 3/34560 760.0 0.127 0.048 0.099 0.000 0.000 0.000 3/34560 770.0 0.125 0.047 0.097 0.000 0.000 0.000 3/34560 780.0 0.124 0.047 0.096 0.000 0.000 0.000 3/34560 790.0 0.123 0.046 0.095 0.000 0.000 0.000 3/34560 800.0 0.121 0.046 0.094 0.000 0.000 0.000 3/34560 810.0 0.120 0.045 0.093 0.000 0.000 0.000 3/34560 820.0 0.119 0.045 0.092 0.000 0.000 0.000 3/34560 830.0 0.117 0.044 0.091 0.000 0.000 0.000 3/34560 840.0 0.116 0.043 0.090 0.000 0.000 0.000 3/34560 850.0 0.115 0.043 0.089 0.000 0.000 0.000 3/34560 860.0 0.114 0.043 0.088 0.000 0.000 0.000 3/34560 870.0 0.113 0.042 0.087 0.000 0.000 0.000 3/34560 880.0 0.111 0.042 0.086 0.000 0.000 0.000 3/34560 890.0 0.110 0.041 0.086 0.000 0.000 0.000 3/34560 900.0 0.109 0.041 0.085 0.000 0.000 0.000 3/34560 910.0 0.108 0.040 0.084 0.000 0.000 0.000 3/34560 920.0 0.107 0.040 0.083 0.000 0.000 0.000 3/34560 930.0 0.106 0.039 0.082 0.000 0.000 0.000 3/34560 940.0 0.105 0.039 0.082 0.000 0.000 0.000 3/34560 950.0 0.104 0.039 0.081 0.000 0.000 0.000 3/34560 960.0 0.103 0.038 0.080 0.000 0.000 0.000 3/34560 970.0 0.102 0.038 0.079 0.000 0.000 0.000 3/34560 980.0 0.101 0.038 0.079 0.000 0.000 0.000 3/34560 990.0 0.100 0.037 0.078 0.000 0.000 0.000 3/34560 1000.0 0.099 0.037 0.077 0.000 0.000 0.000 3/34560Thermal conductivity related properties were written into "kappa-m12106.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-09 04:49:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|