# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/b3a798e0-2392-4108-b3c5-980bd298adb1/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 NaInO2 / R-3m (166) / materials id 5175](https://mdr.nims.go.jp/datasets/d1d30e02-573b-4b5b-9c9d-1b08e741e809) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-07 20:42:33]-------------------------Compiled with OpenMP support (max 128 threads).Running in phonopy.load mode.Python version 3.14.2Spglib version 2.6.1Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".Unit of length: angstromSettings: Supercell: [3 3 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333]Spacegroup: R-3m (166)Number of symmetry operations in supercell: 324------------------------------ primitive cell ------------------------------Lattice vectors: a 1.622531383141977 0.936768930825634 5.463199956666662 b -1.622531383141973 0.936768930825634 5.463199956666662 c 0.000000000000002 -1.873537861651271 5.463199956666662Atomic positions (fractional): *1 O 0.26180057332477 0.26180057332477 0.26180057332477 15.999 2 O 0.73819942667523 0.73819942667523 0.73819942667523 15.999 *3 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 *4 In 0.00000000000000 0.00000000000000 0.00000000000000 114.818-------------------------------- unit cell ---------------------------------Lattice vectors: a 3.245062766283950 0.000000000000000 0.000000000000000 b -1.622531383141975 2.810306792476905 0.000000000000000 c 0.000000000000000 0.000000000000000 16.389599870000001Atomic positions (fractional): *1 O 0.00000000000000 0.00000000000000 0.26180057332477 15.999 > 1 2 O 0.66666666666667 0.33333333333333 0.07153276000857 15.999 > 2 3 O 0.66666666666667 0.33333333333333 0.59513390665810 15.999 > 1 4 O 0.33333333333333 0.66666666666667 0.40486609334190 15.999 > 2 5 O 0.33333333333333 0.66666666666667 0.92846723999143 15.999 > 1 6 O 0.00000000000000 0.00000000000000 0.73819942667523 15.999 > 2 *7 Na 0.33333333333333 0.66666666666667 0.16666666666667 22.990 > 3 8 Na 0.00000000000000 0.00000000000000 0.50000000000000 22.990 > 3 9 Na 0.66666666666667 0.33333333333333 0.83333333333333 22.990 > 3 *10 In 0.00000000000000 0.00000000000000 0.00000000000000 114.818 > 4 11 In 0.66666666666667 0.33333333333333 0.33333333333333 114.818 > 4 12 In 0.33333333333333 0.66666666666667 0.66666666666667 114.818 > 4-------------------------------- super cell --------------------------------Lattice vectors: a 9.735188298851849 0.000000000000000 0.000000000000000 b -4.867594149425924 8.430920377430716 0.000000000000000 c 0.000000000000000 0.000000000000000 16.389599870000001Atomic positions (fractional): *1 O 0.00000000000000 0.00000000000000 0.26180057332477 15.999 > 1 2 O 0.33333333333333 0.00000000000000 0.26180057332477 15.999 > 1 3 O 0.66666666666667 0.00000000000000 0.26180057332477 15.999 > 1 4 O 0.00000000000000 0.33333333333333 0.26180057332477 15.999 > 1 5 O 0.33333333333333 0.33333333333333 0.26180057332477 15.999 > 1 6 O 0.66666666666667 0.33333333333333 0.26180057332477 15.999 > 1 7 O 0.00000000000000 0.66666666666667 0.26180057332477 15.999 > 1 8 O 0.33333333333333 0.66666666666667 0.26180057332477 15.999 > 1 9 O 0.66666666666667 0.66666666666667 0.26180057332477 15.999 > 1 10 O 0.22222222222222 0.11111111111111 0.07153276000857 15.999 > 2 11 O 0.55555555555556 0.11111111111111 0.07153276000857 15.999 > 2 12 O 0.88888888888889 0.11111111111111 0.07153276000857 15.999 > 2 13 O 0.22222222222222 0.44444444444444 0.07153276000857 15.999 > 2 14 O 0.55555555555556 0.44444444444444 0.07153276000857 15.999 > 2 15 O 0.88888888888889 0.44444444444444 0.07153276000857 15.999 > 2 16 O 0.22222222222222 0.77777777777778 0.07153276000857 15.999 > 2 17 O 0.55555555555556 0.77777777777778 0.07153276000857 15.999 > 2 18 O 0.88888888888889 0.77777777777778 0.07153276000857 15.999 > 2 19 O 0.22222222222222 0.11111111111111 0.59513390665810 15.999 > 1 20 O 0.55555555555556 0.11111111111111 0.59513390665810 15.999 > 1 21 O 0.88888888888889 0.11111111111111 0.59513390665810 15.999 > 1 22 O 0.22222222222222 0.44444444444444 0.59513390665810 15.999 > 1 23 O 0.55555555555556 0.44444444444444 0.59513390665810 15.999 > 1 24 O 0.88888888888889 0.44444444444444 0.59513390665810 15.999 > 1 25 O 0.22222222222222 0.77777777777778 0.59513390665810 15.999 > 1 26 O 0.55555555555556 0.77777777777778 0.59513390665810 15.999 > 1 27 O 0.88888888888889 0.77777777777778 0.59513390665810 15.999 > 1 28 O 0.11111111111111 0.22222222222222 0.40486609334190 15.999 > 2 29 O 0.44444444444444 0.22222222222222 0.40486609334190 15.999 > 2 30 O 0.77777777777778 0.22222222222222 0.40486609334190 15.999 > 2 31 O 0.11111111111111 0.55555555555556 0.40486609334190 15.999 > 2 32 O 0.44444444444444 0.55555555555556 0.40486609334190 15.999 > 2 33 O 0.77777777777778 0.55555555555556 0.40486609334190 15.999 > 2 34 O 0.11111111111111 0.88888888888889 0.40486609334190 15.999 > 2 35 O 0.44444444444444 0.88888888888889 0.40486609334190 15.999 > 2 36 O 0.77777777777778 0.88888888888889 0.40486609334190 15.999 > 2 37 O 0.11111111111111 0.22222222222222 0.92846723999143 15.999 > 1 38 O 0.44444444444444 0.22222222222222 0.92846723999143 15.999 > 1 39 O 0.77777777777778 0.22222222222222 0.92846723999143 15.999 > 1 40 O 0.11111111111111 0.55555555555556 0.92846723999143 15.999 > 1 41 O 0.44444444444444 0.55555555555556 0.92846723999143 15.999 > 1 42 O 0.77777777777778 0.55555555555556 0.92846723999143 15.999 > 1 43 O 0.11111111111111 0.88888888888889 0.92846723999143 15.999 > 1 44 O 0.44444444444444 0.88888888888889 0.92846723999143 15.999 > 1 45 O 0.77777777777778 0.88888888888889 0.92846723999143 15.999 > 1 46 O 0.00000000000000 0.00000000000000 0.73819942667523 15.999 > 2 47 O 0.33333333333333 0.00000000000000 0.73819942667523 15.999 > 2 48 O 0.66666666666667 0.00000000000000 0.73819942667523 15.999 > 2 49 O 0.00000000000000 0.33333333333333 0.73819942667523 15.999 > 2 50 O 0.33333333333333 0.33333333333333 0.73819942667523 15.999 > 2 51 O 0.66666666666667 0.33333333333333 0.73819942667523 15.999 > 2 52 O 0.00000000000000 0.66666666666667 0.73819942667523 15.999 > 2 53 O 0.33333333333333 0.66666666666667 0.73819942667523 15.999 > 2 54 O 0.66666666666667 0.66666666666667 0.73819942667523 15.999 > 2 *55 Na 0.11111111111111 0.22222222222222 0.16666666666667 22.990 > 3 56 Na 0.44444444444444 0.22222222222222 0.16666666666667 22.990 > 3 57 Na 0.77777777777778 0.22222222222222 0.16666666666667 22.990 > 3 58 Na 0.11111111111111 0.55555555555556 0.16666666666667 22.990 > 3 59 Na 0.44444444444444 0.55555555555556 0.16666666666667 22.990 > 3 60 Na 0.77777777777778 0.55555555555556 0.16666666666667 22.990 > 3 61 Na 0.11111111111111 0.88888888888889 0.16666666666667 22.990 > 3 62 Na 0.44444444444444 0.88888888888889 0.16666666666667 22.990 > 3 63 Na 0.77777777777778 0.88888888888889 0.16666666666667 22.990 > 3 64 Na 0.00000000000000 0.00000000000000 0.50000000000000 22.990 > 3 65 Na 0.33333333333333 0.00000000000000 0.50000000000000 22.990 > 3 66 Na 0.66666666666667 0.00000000000000 0.50000000000000 22.990 > 3 67 Na 0.00000000000000 0.33333333333333 0.50000000000000 22.990 > 3 68 Na 0.33333333333333 0.33333333333333 0.50000000000000 22.990 > 3 69 Na 0.66666666666667 0.33333333333333 0.50000000000000 22.990 > 3 70 Na 0.00000000000000 0.66666666666667 0.50000000000000 22.990 > 3 71 Na 0.33333333333333 0.66666666666667 0.50000000000000 22.990 > 3 72 Na 0.66666666666667 0.66666666666667 0.50000000000000 22.990 > 3 73 Na 0.22222222222222 0.11111111111111 0.83333333333333 22.990 > 3 74 Na 0.55555555555556 0.11111111111111 0.83333333333333 22.990 > 3 75 Na 0.88888888888889 0.11111111111111 0.83333333333333 22.990 > 3 76 Na 0.22222222222222 0.44444444444444 0.83333333333333 22.990 > 3 77 Na 0.55555555555556 0.44444444444444 0.83333333333333 22.990 > 3 78 Na 0.88888888888889 0.44444444444444 0.83333333333333 22.990 > 3 79 Na 0.22222222222222 0.77777777777778 0.83333333333333 22.990 > 3 80 Na 0.55555555555556 0.77777777777778 0.83333333333333 22.990 > 3 81 Na 0.88888888888889 0.77777777777778 0.83333333333333 22.990 > 3 *82 In 0.00000000000000 0.00000000000000 0.00000000000000 114.818 > 4 83 In 0.33333333333333 0.00000000000000 0.00000000000000 114.818 > 4 84 In 0.66666666666667 0.00000000000000 0.00000000000000 114.818 > 4 85 In 0.00000000000000 0.33333333333333 0.00000000000000 114.818 > 4 86 In 0.33333333333333 0.33333333333333 0.00000000000000 114.818 > 4 87 In 0.66666666666667 0.33333333333333 0.00000000000000 114.818 > 4 88 In 0.00000000000000 0.66666666666667 0.00000000000000 114.818 > 4 89 In 0.33333333333333 0.66666666666667 0.00000000000000 114.818 > 4 90 In 0.66666666666667 0.66666666666667 0.00000000000000 114.818 > 4 91 In 0.22222222222222 0.11111111111111 0.33333333333333 114.818 > 4 92 In 0.55555555555556 0.11111111111111 0.33333333333333 114.818 > 4 93 In 0.88888888888889 0.11111111111111 0.33333333333333 114.818 > 4 94 In 0.22222222222222 0.44444444444444 0.33333333333333 114.818 > 4 95 In 0.55555555555556 0.44444444444444 0.33333333333333 114.818 > 4 96 In 0.88888888888889 0.44444444444444 0.33333333333333 114.818 > 4 97 In 0.22222222222222 0.77777777777778 0.33333333333333 114.818 > 4 98 In 0.55555555555556 0.77777777777778 0.33333333333333 114.818 > 4 99 In 0.88888888888889 0.77777777777778 0.33333333333333 114.818 > 4 100 In 0.11111111111111 0.22222222222222 0.66666666666667 114.818 > 4 101 In 0.44444444444444 0.22222222222222 0.66666666666667 114.818 > 4 102 In 0.77777777777778 0.22222222222222 0.66666666666667 114.818 > 4 103 In 0.11111111111111 0.55555555555556 0.66666666666667 114.818 > 4 104 In 0.44444444444444 0.55555555555556 0.66666666666667 114.818 > 4 105 In 0.77777777777778 0.55555555555556 0.66666666666667 114.818 > 4 106 In 0.11111111111111 0.88888888888889 0.66666666666667 114.818 > 4 107 In 0.44444444444444 0.88888888888889 0.66666666666667 114.818 > 4 108 In 0.77777777777778 0.88888888888889 0.66666666666667 114.818 > 4----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 4.2526387 0.0000000 0.0000000 0.0000000 4.2526387 0.0000000 0.0000000 0.0000000 3.3105202-------------------------- Born effective charges -------------------------- 1 O -2.1997590 -0.0000000 0.0000000 0.0000000 -2.1997590 0.0000000 0.0000000 0.0000000 -1.5976467 2 O -2.1997590 -0.0000000 0.0000000 0.0000000 -2.1997590 0.0000000 0.0000000 0.0000000 -1.5976467 3 Na 0.9904203 -0.0000000 0.0000000 0.0000000 0.9904203 0.0000000 0.0000000 0.0000000 1.3989385 4 In 3.4090977 0.0000000 0.0000000 0.0000000 3.4090977 0.0000000 0.0000000 0.0000000 1.7963550----------------------------------------------------------------------------Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".-------------------------------- Symfc start -------------------------------Symfc version 1.5.4 (https://github.com/symfc/symfc)Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024)Computing [2] order force constants.Permutation basis: 324/324Permutation basis: 2568/2568Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 215Number of blocks in projector: 166Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 3--- Eigsh_solver_block: 1 / 3 ---Block_size: 97Use standard eigh solver.--- Eigsh_solver_block: 2 / 3 ---Block_size: 64Use standard eigh solver.--- Eigsh_solver_block: 3 / 3 ---Block_size: 54Use standard eigh solver.Tree of FC basis block matrices:- (215, 209), data: False|-- (54, 51), data: True|-- (64, 64), data: True|-- (97, 94), data: True-----Solver_atoms: 1 -- 108 / 108Time (Solver_compr_matrix_reshape): 0.008Solver_block: 80 / 80 - Time: 0.172Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.197--------------------------------- Symfc end --------------------------------Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 324/324Permutation basis: 2568/2568Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 215Number of blocks in projector: 166Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 3--- Eigsh_solver_block: 1 / 3 ---Block_size: 97Use standard eigh solver.--- Eigsh_solver_block: 2 / 3 ---Block_size: 64Use standard eigh solver.--- Eigsh_solver_block: 3 / 3 ---Block_size: 54Use standard eigh solver.Tree of FC basis block matrices:- (215, 209), data: False|-- (54, 51), data: True|-- (64, 64), data: True|-- (97, 94), data: TrueMax drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-07 20:42:37]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-07 20:42:38]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: force constantsHDF5 data compression filter: gzipCrystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".Supercell (dim): [3 3 1]Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333]Spacegroup: R-3m (166)------------------------------ primitive cell ------------------------------Lattice vectors: a 1.622531383141977 0.936768930825634 5.463199956666662 b -1.622531383141973 0.936768930825634 5.463199956666662 c 0.000000000000002 -1.873537861651271 5.463199956666662Atomic positions (fractional): 1 O 0.26180057332477 0.26180057332477 0.26180057332477 15.999 2 O 0.73819942667523 0.73819942667523 0.73819942667523 15.999 3 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 4 In 0.00000000000000 0.00000000000000 0.00000000000000 114.818-------------------------------- supercell ---------------------------------Lattice vectors: a 9.735188298851849 0.000000000000000 0.000000000000000 b -4.867594149425924 8.430920377430716 0.000000000000000 c 0.000000000000000 0.000000000000000 16.389599870000001Atomic positions (fractional): 1 O 0.00000000000000 0.00000000000000 0.26180057332477 15.999 > 1 2 O 0.33333333333333 0.00000000000000 0.26180057332477 15.999 > 1 3 O 0.66666666666667 0.00000000000000 0.26180057332477 15.999 > 1 4 O 0.00000000000000 0.33333333333333 0.26180057332477 15.999 > 1 5 O 0.33333333333333 0.33333333333333 0.26180057332477 15.999 > 1 6 O 0.66666666666667 0.33333333333333 0.26180057332477 15.999 > 1 7 O 0.00000000000000 0.66666666666667 0.26180057332477 15.999 > 1 8 O 0.33333333333333 0.66666666666667 0.26180057332477 15.999 > 1 9 O 0.66666666666667 0.66666666666667 0.26180057332477 15.999 > 1 10 O 0.22222222222222 0.11111111111111 0.07153276000857 15.999 > 10 11 O 0.55555555555556 0.11111111111111 0.07153276000857 15.999 > 10 12 O 0.88888888888889 0.11111111111111 0.07153276000857 15.999 > 10 13 O 0.22222222222222 0.44444444444444 0.07153276000857 15.999 > 10 14 O 0.55555555555556 0.44444444444444 0.07153276000857 15.999 > 10 15 O 0.88888888888889 0.44444444444444 0.07153276000857 15.999 > 10 16 O 0.22222222222222 0.77777777777778 0.07153276000857 15.999 > 10 17 O 0.55555555555556 0.77777777777778 0.07153276000857 15.999 > 10 18 O 0.88888888888889 0.77777777777778 0.07153276000857 15.999 > 10 19 O 0.22222222222222 0.11111111111111 0.59513390665810 15.999 > 1 20 O 0.55555555555556 0.11111111111111 0.59513390665810 15.999 > 1 21 O 0.88888888888889 0.11111111111111 0.59513390665810 15.999 > 1 22 O 0.22222222222222 0.44444444444444 0.59513390665810 15.999 > 1 23 O 0.55555555555556 0.44444444444444 0.59513390665810 15.999 > 1 24 O 0.88888888888889 0.44444444444444 0.59513390665810 15.999 > 1 25 O 0.22222222222222 0.77777777777778 0.59513390665810 15.999 > 1 26 O 0.55555555555556 0.77777777777778 0.59513390665810 15.999 > 1 27 O 0.88888888888889 0.77777777777778 0.59513390665810 15.999 > 1 28 O 0.11111111111111 0.22222222222222 0.40486609334190 15.999 > 10 29 O 0.44444444444444 0.22222222222222 0.40486609334190 15.999 > 10 30 O 0.77777777777778 0.22222222222222 0.40486609334190 15.999 > 10 31 O 0.11111111111111 0.55555555555556 0.40486609334190 15.999 > 10 32 O 0.44444444444444 0.55555555555556 0.40486609334190 15.999 > 10 33 O 0.77777777777778 0.55555555555556 0.40486609334190 15.999 > 10 34 O 0.11111111111111 0.88888888888889 0.40486609334190 15.999 > 10 35 O 0.44444444444444 0.88888888888889 0.40486609334190 15.999 > 10 36 O 0.77777777777778 0.88888888888889 0.40486609334190 15.999 > 10 37 O 0.11111111111111 0.22222222222222 0.92846723999143 15.999 > 1 38 O 0.44444444444444 0.22222222222222 0.92846723999143 15.999 > 1 39 O 0.77777777777778 0.22222222222222 0.92846723999143 15.999 > 1 40 O 0.11111111111111 0.55555555555556 0.92846723999143 15.999 > 1 41 O 0.44444444444444 0.55555555555556 0.92846723999143 15.999 > 1 42 O 0.77777777777778 0.55555555555556 0.92846723999143 15.999 > 1 43 O 0.11111111111111 0.88888888888889 0.92846723999143 15.999 > 1 44 O 0.44444444444444 0.88888888888889 0.92846723999143 15.999 > 1 45 O 0.77777777777778 0.88888888888889 0.92846723999143 15.999 > 1 46 O 0.00000000000000 0.00000000000000 0.73819942667523 15.999 > 10 47 O 0.33333333333333 0.00000000000000 0.73819942667523 15.999 > 10 48 O 0.66666666666667 0.00000000000000 0.73819942667523 15.999 > 10 49 O 0.00000000000000 0.33333333333333 0.73819942667523 15.999 > 10 50 O 0.33333333333333 0.33333333333333 0.73819942667523 15.999 > 10 51 O 0.66666666666667 0.33333333333333 0.73819942667523 15.999 > 10 52 O 0.00000000000000 0.66666666666667 0.73819942667523 15.999 > 10 53 O 0.33333333333333 0.66666666666667 0.73819942667523 15.999 > 10 54 O 0.66666666666667 0.66666666666667 0.73819942667523 15.999 > 10 55 Na 0.11111111111111 0.22222222222222 0.16666666666667 22.990 > 55 56 Na 0.44444444444444 0.22222222222222 0.16666666666667 22.990 > 55 57 Na 0.77777777777778 0.22222222222222 0.16666666666667 22.990 > 55 58 Na 0.11111111111111 0.55555555555556 0.16666666666667 22.990 > 55 59 Na 0.44444444444444 0.55555555555556 0.16666666666667 22.990 > 55 60 Na 0.77777777777778 0.55555555555556 0.16666666666667 22.990 > 55 61 Na 0.11111111111111 0.88888888888889 0.16666666666667 22.990 > 55 62 Na 0.44444444444444 0.88888888888889 0.16666666666667 22.990 > 55 63 Na 0.77777777777778 0.88888888888889 0.16666666666667 22.990 > 55 64 Na 0.00000000000000 0.00000000000000 0.50000000000000 22.990 > 55 65 Na 0.33333333333333 0.00000000000000 0.50000000000000 22.990 > 55 66 Na 0.66666666666667 0.00000000000000 0.50000000000000 22.990 > 55 67 Na 0.00000000000000 0.33333333333333 0.50000000000000 22.990 > 55 68 Na 0.33333333333333 0.33333333333333 0.50000000000000 22.990 > 55 69 Na 0.66666666666667 0.33333333333333 0.50000000000000 22.990 > 55 70 Na 0.00000000000000 0.66666666666667 0.50000000000000 22.990 > 55 71 Na 0.33333333333333 0.66666666666667 0.50000000000000 22.990 > 55 72 Na 0.66666666666667 0.66666666666667 0.50000000000000 22.990 > 55 73 Na 0.22222222222222 0.11111111111111 0.83333333333333 22.990 > 55 74 Na 0.55555555555556 0.11111111111111 0.83333333333333 22.990 > 55 75 Na 0.88888888888889 0.11111111111111 0.83333333333333 22.990 > 55 76 Na 0.22222222222222 0.44444444444444 0.83333333333333 22.990 > 55 77 Na 0.55555555555556 0.44444444444444 0.83333333333333 22.990 > 55 78 Na 0.88888888888889 0.44444444444444 0.83333333333333 22.990 > 55 79 Na 0.22222222222222 0.77777777777778 0.83333333333333 22.990 > 55 80 Na 0.55555555555556 0.77777777777778 0.83333333333333 22.990 > 55 81 Na 0.88888888888889 0.77777777777778 0.83333333333333 22.990 > 55 82 In 0.00000000000000 0.00000000000000 0.00000000000000 114.818 > 82 83 In 0.33333333333333 0.00000000000000 0.00000000000000 114.818 > 82 84 In 0.66666666666667 0.00000000000000 0.00000000000000 114.818 > 82 85 In 0.00000000000000 0.33333333333333 0.00000000000000 114.818 > 82 86 In 0.33333333333333 0.33333333333333 0.00000000000000 114.818 > 82 87 In 0.66666666666667 0.33333333333333 0.00000000000000 114.818 > 82 88 In 0.00000000000000 0.66666666666667 0.00000000000000 114.818 > 82 89 In 0.33333333333333 0.66666666666667 0.00000000000000 114.818 > 82 90 In 0.66666666666667 0.66666666666667 0.00000000000000 114.818 > 82 91 In 0.22222222222222 0.11111111111111 0.33333333333333 114.818 > 82 92 In 0.55555555555556 0.11111111111111 0.33333333333333 114.818 > 82 93 In 0.88888888888889 0.11111111111111 0.33333333333333 114.818 > 82 94 In 0.22222222222222 0.44444444444444 0.33333333333333 114.818 > 82 95 In 0.55555555555556 0.44444444444444 0.33333333333333 114.818 > 82 96 In 0.88888888888889 0.44444444444444 0.33333333333333 114.818 > 82 97 In 0.22222222222222 0.77777777777778 0.33333333333333 114.818 > 82 98 In 0.55555555555556 0.77777777777778 0.33333333333333 114.818 > 82 99 In 0.88888888888889 0.77777777777778 0.33333333333333 114.818 > 82 100 In 0.11111111111111 0.22222222222222 0.66666666666667 114.818 > 82 101 In 0.44444444444444 0.22222222222222 0.66666666666667 114.818 > 82 102 In 0.77777777777778 0.22222222222222 0.66666666666667 114.818 > 82 103 In 0.11111111111111 0.55555555555556 0.66666666666667 114.818 > 82 104 In 0.44444444444444 0.55555555555556 0.66666666666667 114.818 > 82 105 In 0.77777777777778 0.55555555555556 0.66666666666667 114.818 > 82 106 In 0.11111111111111 0.88888888888889 0.66666666666667 114.818 > 82 107 In 0.44444444444444 0.88888888888889 0.66666666666667 114.818 > 82 108 In 0.77777777777778 0.88888888888889 0.66666666666667 114.818 > 82----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 4.2526387 0.0000000 0.0000000 0.0000000 4.2526387 0.0000000 0.0000000 0.0000000 3.3105202-------------------------- Born effective charges -------------------------- 1 O -2.1997590 -0.0000000 0.0000000 0.0000000 -2.1997590 0.0000000 0.0000000 0.0000000 -1.5976467 2 O -2.1997590 -0.0000000 0.0000000 0.0000000 -2.1997590 0.0000000 0.0000000 0.0000000 -1.5976467 3 Na 0.9904203 -0.0000000 0.0000000 0.0000000 0.9904203 0.0000000 0.0000000 0.0000000 1.3989385 4 In 3.4090977 0.0000000 0.0000000 0.0000000 3.4090977 0.0000000 0.0000000 0.0000000 1.7963550----------------------------------------------------------------------------Sets of supercell forces were read from "FORCES_FC3.xz".Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".----------------------------- Force constants ------------------------------Computing fc3[ 1, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 55, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 82, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Expanding fc3.Symmetrizing fc3 by traditional approach (N=3).Symmetrizing fc2 by traditional approach (N=3).Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy)fc3 was written into "fc3.hdf5".Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) fc2 was written into "fc2.hdf5".--------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperatures: 0.0 300.0 Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330----------- None of ph-ph interaction calculation was performed. -----------Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-07 20:42:43]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-07 20:42:43]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: conductivity-RTAHDF5 data compression filter: gzipCrystal structure was read from "phono3py.yaml".Supercell (dim): [3 3 1]Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333]Spacegroup: R-3m (166)------------------------------ primitive cell ------------------------------Lattice vectors: a 1.622531383141977 0.936768930825634 5.463199956666662 b -1.622531383141973 0.936768930825634 5.463199956666662 c 0.000000000000002 -1.873537861651271 5.463199956666662Atomic positions (fractional): 1 O 0.26180057332477 0.26180057332477 0.26180057332477 15.999 2 O 0.73819942667523 0.73819942667523 0.73819942667523 15.999 3 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 4 In 0.00000000000000 0.00000000000000 0.00000000000000 114.818-------------------------------- supercell ---------------------------------Lattice vectors: a 9.735188298851849 0.000000000000000 0.000000000000000 b -4.867594149425924 8.430920377430716 0.000000000000000 c 0.000000000000000 0.000000000000000 16.389599870000001Atomic positions (fractional): 1 O 0.00000000000000 0.00000000000000 0.26180057332477 15.999 > 1 2 O 0.33333333333333 0.00000000000000 0.26180057332477 15.999 > 1 3 O 0.66666666666667 0.00000000000000 0.26180057332477 15.999 > 1 4 O 0.00000000000000 0.33333333333333 0.26180057332477 15.999 > 1 5 O 0.33333333333333 0.33333333333333 0.26180057332477 15.999 > 1 6 O 0.66666666666667 0.33333333333333 0.26180057332477 15.999 > 1 7 O 0.00000000000000 0.66666666666667 0.26180057332477 15.999 > 1 8 O 0.33333333333333 0.66666666666667 0.26180057332477 15.999 > 1 9 O 0.66666666666667 0.66666666666667 0.26180057332477 15.999 > 1 10 O 0.22222222222222 0.11111111111111 0.07153276000857 15.999 > 10 11 O 0.55555555555556 0.11111111111111 0.07153276000857 15.999 > 10 12 O 0.88888888888889 0.11111111111111 0.07153276000857 15.999 > 10 13 O 0.22222222222222 0.44444444444444 0.07153276000857 15.999 > 10 14 O 0.55555555555556 0.44444444444444 0.07153276000857 15.999 > 10 15 O 0.88888888888889 0.44444444444444 0.07153276000857 15.999 > 10 16 O 0.22222222222222 0.77777777777778 0.07153276000857 15.999 > 10 17 O 0.55555555555556 0.77777777777778 0.07153276000857 15.999 > 10 18 O 0.88888888888889 0.77777777777778 0.07153276000857 15.999 > 10 19 O 0.22222222222222 0.11111111111111 0.59513390665810 15.999 > 1 20 O 0.55555555555556 0.11111111111111 0.59513390665810 15.999 > 1 21 O 0.88888888888889 0.11111111111111 0.59513390665810 15.999 > 1 22 O 0.22222222222222 0.44444444444444 0.59513390665810 15.999 > 1 23 O 0.55555555555556 0.44444444444444 0.59513390665810 15.999 > 1 24 O 0.88888888888889 0.44444444444444 0.59513390665810 15.999 > 1 25 O 0.22222222222222 0.77777777777778 0.59513390665810 15.999 > 1 26 O 0.55555555555556 0.77777777777778 0.59513390665810 15.999 > 1 27 O 0.88888888888889 0.77777777777778 0.59513390665810 15.999 > 1 28 O 0.11111111111111 0.22222222222222 0.40486609334190 15.999 > 10 29 O 0.44444444444444 0.22222222222222 0.40486609334190 15.999 > 10 30 O 0.77777777777778 0.22222222222222 0.40486609334190 15.999 > 10 31 O 0.11111111111111 0.55555555555556 0.40486609334190 15.999 > 10 32 O 0.44444444444444 0.55555555555556 0.40486609334190 15.999 > 10 33 O 0.77777777777778 0.55555555555556 0.40486609334190 15.999 > 10 34 O 0.11111111111111 0.88888888888889 0.40486609334190 15.999 > 10 35 O 0.44444444444444 0.88888888888889 0.40486609334190 15.999 > 10 36 O 0.77777777777778 0.88888888888889 0.40486609334190 15.999 > 10 37 O 0.11111111111111 0.22222222222222 0.92846723999143 15.999 > 1 38 O 0.44444444444444 0.22222222222222 0.92846723999143 15.999 > 1 39 O 0.77777777777778 0.22222222222222 0.92846723999143 15.999 > 1 40 O 0.11111111111111 0.55555555555556 0.92846723999143 15.999 > 1 41 O 0.44444444444444 0.55555555555556 0.92846723999143 15.999 > 1 42 O 0.77777777777778 0.55555555555556 0.92846723999143 15.999 > 1 43 O 0.11111111111111 0.88888888888889 0.92846723999143 15.999 > 1 44 O 0.44444444444444 0.88888888888889 0.92846723999143 15.999 > 1 45 O 0.77777777777778 0.88888888888889 0.92846723999143 15.999 > 1 46 O 0.00000000000000 0.00000000000000 0.73819942667523 15.999 > 10 47 O 0.33333333333333 0.00000000000000 0.73819942667523 15.999 > 10 48 O 0.66666666666667 0.00000000000000 0.73819942667523 15.999 > 10 49 O 0.00000000000000 0.33333333333333 0.73819942667523 15.999 > 10 50 O 0.33333333333333 0.33333333333333 0.73819942667523 15.999 > 10 51 O 0.66666666666667 0.33333333333333 0.73819942667523 15.999 > 10 52 O 0.00000000000000 0.66666666666667 0.73819942667523 15.999 > 10 53 O 0.33333333333333 0.66666666666667 0.73819942667523 15.999 > 10 54 O 0.66666666666667 0.66666666666667 0.73819942667523 15.999 > 10 55 Na 0.11111111111111 0.22222222222222 0.16666666666667 22.990 > 55 56 Na 0.44444444444444 0.22222222222222 0.16666666666667 22.990 > 55 57 Na 0.77777777777778 0.22222222222222 0.16666666666667 22.990 > 55 58 Na 0.11111111111111 0.55555555555556 0.16666666666667 22.990 > 55 59 Na 0.44444444444444 0.55555555555556 0.16666666666667 22.990 > 55 60 Na 0.77777777777778 0.55555555555556 0.16666666666667 22.990 > 55 61 Na 0.11111111111111 0.88888888888889 0.16666666666667 22.990 > 55 62 Na 0.44444444444444 0.88888888888889 0.16666666666667 22.990 > 55 63 Na 0.77777777777778 0.88888888888889 0.16666666666667 22.990 > 55 64 Na 0.00000000000000 0.00000000000000 0.50000000000000 22.990 > 55 65 Na 0.33333333333333 0.00000000000000 0.50000000000000 22.990 > 55 66 Na 0.66666666666667 0.00000000000000 0.50000000000000 22.990 > 55 67 Na 0.00000000000000 0.33333333333333 0.50000000000000 22.990 > 55 68 Na 0.33333333333333 0.33333333333333 0.50000000000000 22.990 > 55 69 Na 0.66666666666667 0.33333333333333 0.50000000000000 22.990 > 55 70 Na 0.00000000000000 0.66666666666667 0.50000000000000 22.990 > 55 71 Na 0.33333333333333 0.66666666666667 0.50000000000000 22.990 > 55 72 Na 0.66666666666667 0.66666666666667 0.50000000000000 22.990 > 55 73 Na 0.22222222222222 0.11111111111111 0.83333333333333 22.990 > 55 74 Na 0.55555555555556 0.11111111111111 0.83333333333333 22.990 > 55 75 Na 0.88888888888889 0.11111111111111 0.83333333333333 22.990 > 55 76 Na 0.22222222222222 0.44444444444444 0.83333333333333 22.990 > 55 77 Na 0.55555555555556 0.44444444444444 0.83333333333333 22.990 > 55 78 Na 0.88888888888889 0.44444444444444 0.83333333333333 22.990 > 55 79 Na 0.22222222222222 0.77777777777778 0.83333333333333 22.990 > 55 80 Na 0.55555555555556 0.77777777777778 0.83333333333333 22.990 > 55 81 Na 0.88888888888889 0.77777777777778 0.83333333333333 22.990 > 55 82 In 0.00000000000000 0.00000000000000 0.00000000000000 114.818 > 82 83 In 0.33333333333333 0.00000000000000 0.00000000000000 114.818 > 82 84 In 0.66666666666667 0.00000000000000 0.00000000000000 114.818 > 82 85 In 0.00000000000000 0.33333333333333 0.00000000000000 114.818 > 82 86 In 0.33333333333333 0.33333333333333 0.00000000000000 114.818 > 82 87 In 0.66666666666667 0.33333333333333 0.00000000000000 114.818 > 82 88 In 0.00000000000000 0.66666666666667 0.00000000000000 114.818 > 82 89 In 0.33333333333333 0.66666666666667 0.00000000000000 114.818 > 82 90 In 0.66666666666667 0.66666666666667 0.00000000000000 114.818 > 82 91 In 0.22222222222222 0.11111111111111 0.33333333333333 114.818 > 82 92 In 0.55555555555556 0.11111111111111 0.33333333333333 114.818 > 82 93 In 0.88888888888889 0.11111111111111 0.33333333333333 114.818 > 82 94 In 0.22222222222222 0.44444444444444 0.33333333333333 114.818 > 82 95 In 0.55555555555556 0.44444444444444 0.33333333333333 114.818 > 82 96 In 0.88888888888889 0.44444444444444 0.33333333333333 114.818 > 82 97 In 0.22222222222222 0.77777777777778 0.33333333333333 114.818 > 82 98 In 0.55555555555556 0.77777777777778 0.33333333333333 114.818 > 82 99 In 0.88888888888889 0.77777777777778 0.33333333333333 114.818 > 82 100 In 0.11111111111111 0.22222222222222 0.66666666666667 114.818 > 82 101 In 0.44444444444444 0.22222222222222 0.66666666666667 114.818 > 82 102 In 0.77777777777778 0.22222222222222 0.66666666666667 114.818 > 82 103 In 0.11111111111111 0.55555555555556 0.66666666666667 114.818 > 82 104 In 0.44444444444444 0.55555555555556 0.66666666666667 114.818 > 82 105 In 0.77777777777778 0.55555555555556 0.66666666666667 114.818 > 82 106 In 0.11111111111111 0.88888888888889 0.66666666666667 114.818 > 82 107 In 0.44444444444444 0.88888888888889 0.66666666666667 114.818 > 82 108 In 0.77777777777778 0.88888888888889 0.66666666666667 114.818 > 82----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 4.2526387 0.0000000 0.0000000 0.0000000 4.2526387 0.0000000 0.0000000 0.0000000 3.3105202-------------------------- Born effective charges -------------------------- 1 O -2.1997590 -0.0000000 0.0000000 0.0000000 -2.1997590 0.0000000 0.0000000 0.0000000 -1.5976467 2 O -2.1997590 -0.0000000 0.0000000 0.0000000 -2.1997590 0.0000000 0.0000000 0.0000000 -1.5976467 3 Na 0.9904203 -0.0000000 0.0000000 0.0000000 0.9904203 0.0000000 0.0000000 0.0000000 1.3989385 4 In 3.4090977 0.0000000 0.0000000 0.0000000 3.4090977 0.0000000 0.0000000 0.0000000 1.7963550----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy)Max drift of fc2: -0.00000000 (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 ... [ 18 18 18 ]fc3-r2q-transformation over three atoms: True--------------------------- Phonon calculations ----------------------------Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 1.13, Number of G-points: 325, Lambda: 0.23Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/580) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 580Calculating 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 4.404 ( 0.000 0.000 0.000) 0.000 4.404 ( 0.000 0.000 0.000) 0.000 7.472 ( 0.000 0.000 0.000) 0.000 9.443 ( 0.000 0.000 0.000) 0.000 9.443 ( 0.000 0.000 0.000) 0.000 9.592 ( 0.000 0.000 0.000) 0.000 9.592 ( 0.000 0.000 0.000) 0.000 11.884 ( 0.000 0.000 0.000) 0.000 14.219 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/580) =======================q-point: ( 0.06 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.484 ( 20.188 11.655 13.406) 26.891 0.665 ( 28.064 16.203 6.362) 33.025 1.251 ( 53.955 31.151 2.021) 62.335 4.421 ( 1.351 0.780 0.278) 1.584 4.546 ( 7.863 4.539 -2.061) 9.310 7.458 ( -3.269 -1.887 6.600) 7.603 9.347 ( -5.162 -2.980 -0.688) 6.000 9.598 ( 12.493 7.213 2.492) 14.639 9.730 ( 8.880 5.127 0.254) 10.257 11.818 ( -0.538 -0.311 -14.816) 14.829 14.174 ( -4.023 -2.323 0.956) 4.743 15.692 ( -1.722 -0.994 -10.764) 10.947======================= Grid point 2 (3/580) =======================q-point: ( 0.11 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.023 ( 23.463 13.547 10.986) 29.236 1.321 ( 27.438 15.841 5.849) 32.218 2.464 ( 51.584 29.782 1.367) 59.579 4.466 ( 2.421 1.398 0.430) 2.828 4.792 ( 14.027 8.099 -2.435) 16.379 7.384 ( -4.446 -2.567 2.407) 5.670 9.243 ( -3.558 -2.054 -0.842) 4.194 9.960 ( 11.073 6.393 0.095) 12.786 9.975 ( 18.004 10.394 2.736) 20.968 11.755 ( -1.679 -0.969 -0.929) 2.150 14.045 ( -7.601 -4.388 1.439) 8.894 15.583 ( -4.448 -2.568 -11.400) 12.504======================= Grid point 3 (4/580) =======================q-point: ( 0.17 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.621 ( 25.677 14.825 8.281) 30.784 1.952 ( 26.113 15.076 5.025) 30.569 3.601 ( 47.463 27.403 0.112) 54.806 4.530 ( 3.021 1.744 0.405) 3.512 5.151 ( 17.655 10.193 -2.078) 20.492 7.274 ( -5.697 -3.289 1.383) 6.722 9.182 ( -1.498 -0.865 -0.833) 1.919 10.232 ( 12.707 7.336 -0.022) 14.672 10.338 ( 11.200 6.467 0.099) 12.933 11.805 ( 6.551 3.782 9.158) 11.878 13.841 ( -10.491 -6.057 1.119) 12.165 15.419 ( -6.046 -3.491 -13.119) 14.861======================= Grid point 4 (5/580) =======================q-point: ( 0.22 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.234 ( 25.606 14.783 5.734) 30.118 2.539 ( 23.837 13.762 3.952) 27.807 4.602 ( 3.090 1.784 0.247) 3.576 4.616 ( 41.342 23.869 -2.003) 47.780 5.565 ( 18.724 10.810 -1.066) 21.647 7.136 ( -6.842 -3.950 1.620) 8.065 9.169 ( 0.536 0.309 -0.671) 0.913 10.453 ( -0.014 -0.008 0.181) 0.182 10.535 ( 13.724 7.923 -0.071) 15.847 12.134 ( 17.465 10.083 14.423) 24.794 13.577 ( -12.719 -7.343 -0.299) 14.689 15.228 ( -6.433 -3.714 -13.758) 15.636======================= Grid point 5 (6/580) =======================q-point: ( 0.28 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.810 ( 23.096 13.334 3.406) 26.885 3.059 ( 20.513 11.843 2.742) 23.844 4.669 ( 2.678 1.546 0.071) 3.093 5.455 ( 32.789 18.931 -5.283) 38.228 5.985 ( 18.020 10.404 0.023) 20.808 6.978 ( -7.578 -4.375 3.257) 9.337 9.199 ( 2.165 1.250 -0.412) 2.533 10.420 ( -1.961 -1.132 4.372) 4.924 10.850 ( 13.712 7.916 -0.063) 15.833 12.617 ( 18.944 10.937 14.963) 26.502 13.262 ( -14.197 -8.197 -3.812) 16.831 15.045 ( -5.488 -3.169 -12.527) 14.038======================= Grid point 6 (7/580) =======================q-point: ( 0.33 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.296 ( 18.407 10.627 1.404) 21.301 3.487 ( 16.264 9.390 1.576) 18.846 4.722 ( 1.927 1.113 -0.023) 2.226 6.052 ( 21.260 12.275 -9.666) 26.383 6.381 ( 16.442 9.493 -0.311) 18.988 6.827 ( -6.643 -3.836 7.671) 10.849 9.259 ( 3.017 1.742 -0.150) 3.487 10.442 ( 2.611 1.507 8.810) 9.311 11.150 ( 12.291 7.096 -0.025) 14.192 12.865 ( -15.345 -8.860 5.801) 18.645 13.095 ( 14.721 8.499 -0.690) 17.013 14.903 ( -3.468 -2.002 -9.371) 10.191======================= Grid point 7 (8/580) =======================q-point: ( 0.39 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.649 ( 12.248 7.071 0.034) 14.142 3.807 ( 11.334 6.544 0.666) 13.104 4.756 ( 1.059 0.611 -0.013) 1.223 6.346 ( 7.958 4.594 -14.085) 16.817 6.698 ( 8.841 5.104 5.156) 11.437 6.779 ( 2.278 1.315 6.867) 7.354 9.328 ( 2.858 1.650 0.020) 3.300 10.611 ( 9.037 5.217 11.587) 15.593 11.399 ( 9.326 5.384 0.007) 10.769 12.462 ( -18.258 -10.541 -4.764) 21.614 13.413 ( 10.922 6.306 3.140) 12.997 14.825 ( -1.294 -0.747 -5.343) 5.547======================= Grid point 8 (9/580) =======================q-point: ( 0.44 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.854 ( 5.844 3.374 -0.385) 6.759 4.006 ( 5.877 3.393 0.161) 6.788 4.772 ( 0.365 0.211 0.021) 0.422 6.380 ( 0.450 0.260 -7.947) 7.964 6.835 ( 2.412 1.392 15.040) 15.295 6.918 ( 6.001 3.465 -8.290) 10.804 9.382 ( 1.728 0.998 0.058) 1.996 10.911 ( 12.755 7.364 11.233) 18.523 11.566 ( 5.042 2.911 0.014) 5.822 12.029 ( -16.957 -9.790 -7.534) 20.979 13.604 ( 5.282 3.049 1.286) 6.233 14.800 ( -0.097 -0.056 -2.067) 2.070======================= Grid point 9 (10/580) =======================q-point: (-0.50 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 775Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.919 ( 0.000 0.000 0.000) 0.000 4.074 ( 0.000 0.000 0.000) 0.000 4.776 ( 0.000 0.000 0.000) 0.000 6.367 ( 0.000 0.000 0.000) 0.000 6.894 ( 0.000 0.000 -0.000) 0.000 6.968 ( 0.000 0.000 0.000) 0.000 9.403 ( 0.000 0.000 0.000) 0.000 11.140 ( 0.000 0.000 0.000) 0.000 11.624 ( 0.000 0.000 -0.000) 0.000 11.759 ( 0.000 0.000 -0.000) 0.000 13.666 ( 0.000 0.000 -0.000) 0.000 14.796 ( 0.000 0.000 0.000) 0.000======================= Grid point 20 (11/580) =======================q-point: ( 0.06 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.517 ( -0.000 20.432 18.843) 27.794 0.659 ( -0.000 31.433 5.278) 31.873 1.295 ( -0.000 61.290 10.499) 62.183 4.409 ( 0.000 1.164 -2.023) 2.334 4.550 ( 0.000 9.774 -1.220) 9.850 7.490 ( -0.000 -7.383 12.159) 14.225 9.353 ( -0.000 -5.984 0.410) 5.998 9.572 ( 0.000 13.425 -2.594) 13.673 9.729 ( -0.000 10.484 0.112) 10.485 11.708 ( 0.000 5.965 -33.558) 34.084 14.179 ( -0.000 -4.624 1.861) 4.984 15.688 ( 0.000 2.322 -10.702) 10.951======================= Grid point 21 (12/580) =======================q-point: ( 0.11 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.899 ( 13.163 19.233 16.183) 28.374 1.177 ( 18.254 27.376 5.844) 33.419 2.175 ( 27.653 52.233 6.891) 59.502 4.442 ( 2.558 1.933 -1.764) 3.660 4.710 ( 6.057 12.894 -1.705) 14.348 7.422 ( -2.925 -5.420 4.498) 7.627 9.434 ( -3.325 4.523 -0.773) 5.667 9.544 ( 8.710 1.740 -0.090) 8.883 10.027 ( 10.284 16.299 0.486) 19.279 11.693 ( 4.112 -1.705 -14.630) 15.293 14.097 ( -3.951 -6.661 2.503) 8.139 15.616 ( -5.295 -0.111 -9.102) 10.531======================= Grid point 22 (13/580) =======================q-point: ( 0.17 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.419 ( 19.623 18.401 11.868) 29.403 1.792 ( 19.974 25.776 5.614) 33.089 3.214 ( 35.766 41.829 3.507) 55.147 4.513 ( 2.891 3.548 -1.069) 4.699 4.994 ( 12.287 13.569 -2.067) 18.421 7.321 ( -3.974 -5.215 1.612) 6.752 9.351 ( -11.176 12.014 -1.513) 16.478 9.857 ( 24.199 -5.029 0.417) 24.720 10.330 ( 6.550 12.725 0.363) 14.316 11.750 ( 7.296 2.169 -1.005) 7.677 13.933 ( -7.506 -8.174 2.598) 11.397 15.459 ( -7.393 -1.949 -11.184) 13.548======================= Grid point 23 (14/580) =======================q-point: ( 0.22 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.994 ( 22.479 17.291 7.922) 29.446 2.393 ( 18.665 24.837 4.695) 31.421 4.212 ( 36.083 32.661 0.270) 48.670 4.599 ( 2.369 5.452 -0.605) 5.975 5.368 ( 16.379 12.698 -1.374) 20.770 7.195 ( -4.994 -5.513 1.208) 7.536 9.299 ( -8.377 12.323 -1.403) 14.966 10.232 ( 22.859 -1.454 -0.596) 22.913 10.463 ( 0.958 1.345 0.513) 1.729 12.021 ( 14.668 11.401 7.720) 20.118 13.700 ( -10.571 -9.076 2.074) 14.086 15.261 ( -7.618 -3.368 -12.936) 15.386======================= Grid point 24 (15/580) =======================q-point: ( 0.28 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.565 ( 22.439 15.042 4.604) 27.404 2.944 ( 15.825 23.508 3.455) 28.548 4.675 ( 1.578 5.988 -0.932) 6.262 5.090 ( 31.841 24.650 -3.126) 40.388 5.780 ( 17.808 11.277 -0.056) 21.079 7.052 ( -5.807 -5.702 2.437) 8.495 9.296 ( -5.730 12.244 -1.162) 13.568 10.431 ( -0.887 -3.114 2.693) 4.211 10.615 ( 20.121 1.906 -0.075) 20.211 12.471 ( 18.023 13.958 9.284) 24.613 13.408 ( -13.388 -9.385 1.190) 16.393 15.058 ( -6.196 -4.204 -12.952) 14.961======================= Grid point 25 (16/580) =======================q-point: ( 0.33 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.074 ( 19.891 11.657 1.868) 23.131 3.414 ( 11.893 21.448 2.134) 24.618 4.748 ( 0.000 6.631 -0.707) 6.668 5.759 ( 24.485 15.528 -8.216) 30.135 6.188 ( 17.114 9.892 0.794) 19.783 6.911 ( -5.584 -5.229 5.930) 9.679 9.333 ( -3.649 11.905 -0.768) 12.476 10.417 ( 2.023 -2.859 7.084) 7.902 10.972 ( 16.937 5.416 -0.619) 17.793 12.918 ( 15.608 8.951 -0.605) 18.003 13.073 ( -15.220 -6.968 6.965) 18.131 14.890 ( -3.378 -4.370 -10.718) 12.057======================= Grid point 26 (17/580) =======================q-point: ( 0.39 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.476 ( 15.414 7.525 -0.171) 17.154 3.783 ( 7.236 18.593 1.002) 19.977 4.801 ( -1.440 7.027 -0.454) 7.188 6.164 ( 14.044 6.985 -13.392) 20.624 6.549 ( 14.187 7.457 -0.078) 16.028 6.823 ( -2.462 -3.375 11.889) 12.601 9.396 ( -2.651 11.752 -0.424) 12.055 10.512 ( 8.006 -1.069 9.874) 12.757 11.286 ( 12.541 7.073 -0.710) 14.415 12.663 ( -17.589 -8.539 -7.284) 20.865 13.295 ( 11.595 7.017 7.591) 15.534 14.789 ( -0.130 -4.046 -6.848) 7.955======================= Grid point 27 (18/580) =======================q-point: ( 0.44 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.744 ( 9.930 3.294 -1.285) 10.541 4.033 ( 2.213 15.148 0.349) 15.313 4.835 ( -2.814 7.331 -0.135) 7.854 6.310 ( 4.874 1.948 -13.144) 14.153 6.803 ( 8.958 3.710 -3.415) 10.280 6.844 ( 2.026 -2.008 15.503) 15.763 9.462 ( -3.263 11.757 -0.398) 12.208 10.725 ( 13.704 -1.875 9.980) 17.056 11.527 ( 7.549 7.083 -0.757) 10.380 12.246 ( -19.394 -5.144 -7.951) 21.582 13.524 ( 7.595 2.423 3.420) 8.675 14.753 ( 2.076 -3.743 -3.092) 5.280======================= Grid point 28 (19/580) =======================q-point: ( 0.50 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.875 ( 4.360 -0.456 -1.411) 4.605 4.159 ( -3.019 11.602 0.241) 11.991 4.850 ( -3.909 7.489 0.093) 8.448 6.342 ( 2.252 1.086 -6.998) 7.431 6.858 ( 1.330 -2.096 -4.884) 5.478 6.956 ( 3.538 -1.148 11.755) 12.330 9.504 ( -5.075 11.234 -0.637) 12.344 10.943 ( 12.082 -9.538 3.890) 15.877 11.687 ( 5.059 5.234 -0.210) 7.282 11.892 ( -16.854 4.924 -4.937) 18.240 13.630 ( 3.403 -1.337 1.238) 3.860 14.753 ( 2.693 -3.790 -0.667) 4.697======================= Grid point 29 (20/580) =======================q-point: (-0.44 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.877 ( -1.283 -3.737 -1.029) 4.083 4.160 ( -8.629 8.431 0.326) 12.068 4.850 ( -4.566 7.193 0.174) 8.522 6.380 ( 2.389 1.232 0.033) 2.688 6.796 ( -1.600 -4.393 -10.445) 11.443 6.986 ( -2.083 -3.980 11.337) 12.194 9.503 ( -7.004 9.931 -0.936) 12.188 10.881 ( -2.219 -16.074 -8.060) 18.118 11.688 ( -7.026 0.200 -0.040) 7.029 11.938 ( 7.822 15.993 3.705) 18.184 13.624 ( -1.296 -4.155 -0.019) 4.352 14.762 ( 2.747 -3.796 1.106) 4.815======================= Grid point 30 (21/580) =======================q-point: (-0.39 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.746 ( -7.667 -6.900 -0.959) 10.360 4.032 ( -14.547 5.639 0.114) 15.602 4.836 ( -4.991 6.325 0.202) 8.060 6.432 ( -0.511 -1.221 10.283) 10.368 6.666 ( -1.522 -4.096 -16.631) 17.195 6.874 ( -8.690 -6.719 8.172) 13.691 9.459 ( -8.149 8.438 -1.094) 11.781 10.616 ( -6.158 -11.798 -11.373) 17.506 11.536 ( -10.364 -2.074 0.941) 10.611 12.303 ( 14.752 13.289 3.006) 20.081 13.500 ( -7.018 -6.359 -1.235) 9.551 14.788 ( 3.596 -3.042 3.584) 5.919======================= Grid point 31 (22/580) =======================q-point: (-0.33 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.469 ( -14.544 -9.751 -1.584) 17.581 3.775 ( -20.287 2.932 -0.563) 20.505 4.804 ( -5.447 5.105 0.166) 7.467 6.278 ( -14.135 -10.284 7.628) 19.072 6.557 ( -12.469 -7.985 2.076) 14.951 6.720 ( 4.318 1.119 -7.463) 8.694 9.393 ( -8.296 7.981 -0.893) 11.547 10.410 ( -2.453 -6.280 -9.933) 12.005 11.296 ( -12.934 -6.501 1.126) 14.520 12.687 ( 15.029 11.096 -2.886) 18.903 13.251 ( -12.731 -8.130 -0.537) 15.115 14.860 ( 5.455 -1.335 6.876) 8.878======================= Grid point 32 (23/580) =======================q-point: (-0.28 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.050 ( -20.799 -11.689 -2.711) 24.012 3.396 ( -25.255 0.320 -1.488) 25.301 4.751 ( -5.854 3.736 -0.000) 6.944 5.828 ( -26.723 -14.630 5.143) 30.896 6.187 ( -17.639 -10.170 0.675) 20.372 6.861 ( 8.843 3.151 -3.723) 10.099 9.335 ( -8.010 9.199 -0.362) 12.203 10.348 ( 3.118 -2.291 -6.530) 7.590 10.981 ( -13.746 -11.249 1.138) 17.798 12.793 ( -14.580 -2.733 -18.349) 23.595 13.123 ( 10.334 3.119 9.816) 14.590 14.995 ( 7.296 0.673 9.639) 12.107======================= Grid point 33 (24/580) =======================q-point: (-0.22 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.521 ( -25.434 -12.231 -3.915) 28.493 2.914 ( -29.115 -1.929 -2.342) 29.272 4.679 ( -6.005 2.259 -0.198) 6.419 5.121 ( -38.627 -16.580 2.960) 42.139 5.783 ( -18.163 -9.746 0.444) 20.617 7.031 ( 8.445 2.612 -1.762) 9.013 9.303 ( -7.453 11.339 0.150) 13.570 10.404 ( 5.541 -0.269 -2.464) 6.070 10.620 ( -12.641 -16.224 0.796) 20.583 12.352 ( -21.840 -5.186 -13.654) 26.274 13.415 ( 13.760 5.129 2.241) 14.855 15.178 ( 8.148 2.151 10.626) 13.562======================= Grid point 34 (25/580) =======================q-point: (-0.17 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.929 ( -27.944 -11.050 -4.722) 30.418 2.355 ( -31.793 -3.403 -2.794) 32.096 4.218 ( -47.640 -16.051 1.411) 50.291 4.599 ( -5.704 1.177 -0.669) 5.862 5.381 ( -18.599 -7.941 1.105) 20.253 7.184 ( 7.318 1.843 -1.044) 7.618 9.309 ( -6.322 13.701 0.534) 15.098 10.236 ( -10.697 -20.758 0.278) 23.354 10.459 ( -0.713 -0.158 -0.144) 0.744 11.928 ( -16.404 -2.206 -10.329) 19.510 13.690 ( 12.553 3.831 0.120) 13.125 15.376 ( 7.773 2.652 9.459) 12.526======================= Grid point 35 (26/580) =======================q-point: (-0.11 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.335 ( -28.251 -7.584 -4.299) 29.566 1.751 ( -33.396 -3.421 -2.385) 33.655 3.197 ( -55.082 -11.604 0.295) 56.292 4.516 ( -4.477 0.183 -0.499) 4.509 5.011 ( -17.460 -4.469 1.143) 18.060 7.308 ( 5.889 1.002 -0.756) 6.021 9.363 ( -4.726 15.951 0.881) 16.660 9.850 ( -8.276 -23.370 -0.975) 24.811 10.327 ( -14.792 0.794 -0.322) 14.817 11.736 ( -2.180 0.246 -3.847) 4.428 13.918 ( 10.500 2.089 -0.407) 10.713 15.549 ( 6.419 1.995 6.128) 9.096======================= Grid point 36 (27/580) =======================q-point: (-0.06 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.812 ( -26.499 0.000 0.000) 26.499 1.146 ( -33.885 0.000 0.000) 33.885 2.139 ( -60.326 0.000 0.000) 60.326 4.451 ( -2.900 0.000 0.000) 2.900 4.718 ( -13.936 0.000 0.000) 13.936 7.398 ( 4.158 -0.000 -0.000) 4.158 9.438 ( -2.201 0.000 0.000) 2.201 9.544 ( -6.066 0.000 0.000) 6.066 10.024 ( -19.275 0.000 0.000) 19.275 11.771 ( 4.722 -0.000 -0.000) 4.722 14.084 ( 7.627 -0.000 -0.000) 7.627 15.666 ( 4.461 -0.000 -0.000) 4.461======================= Grid point 39 (28/580) =======================q-point: ( 0.11 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.070 ( -0.000 23.653 15.534) 28.298 1.312 ( -0.000 30.921 5.091) 31.337 2.552 ( -0.000 58.696 9.278) 59.425 4.425 ( 0.000 2.377 -3.462) 4.200 4.809 ( 0.000 16.580 -0.921) 16.606 7.398 ( -0.000 -7.167 3.588) 8.015 9.247 ( 0.000 -4.563 -0.440) 4.584 9.906 ( 0.000 21.344 -3.762) 21.673 9.971 ( -0.000 13.388 1.156) 13.438 11.563 ( 0.000 -2.411 -17.428) 17.594 14.064 ( -0.000 -8.614 3.106) 9.157 15.645 ( 0.000 -1.185 -5.383) 5.511======================= Grid point 40 (29/580) =======================q-point: ( 0.17 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.429 ( 8.469 23.667 13.136) 28.362 1.775 ( 14.896 29.024 4.778) 32.972 3.276 ( 14.631 52.943 6.796) 55.347 4.476 ( 3.900 3.284 -3.277) 6.060 5.011 ( 3.891 18.035 -1.111) 18.483 7.317 ( -2.002 -7.050 1.398) 7.461 9.367 ( 16.911 -4.696 -0.502) 17.558 9.819 ( -16.331 19.760 -2.092) 25.720 10.325 ( 8.906 12.584 0.215) 15.418 11.578 ( 10.074 -0.172 -10.529) 14.573 13.950 ( -3.756 -9.964 3.440) 11.190 15.546 ( -6.921 -2.040 -6.121) 9.462======================= Grid point 41 (30/580) =======================q-point: ( 0.22 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.895 ( 14.563 21.799 9.563) 27.906 2.364 ( 18.061 28.017 4.284) 33.608 4.088 ( 21.650 42.812 2.742) 48.053 4.589 ( 5.116 5.322 -2.401) 7.763 5.290 ( 8.686 17.090 -0.736) 19.185 7.206 ( -3.130 -6.924 0.727) 7.633 9.588 ( 1.312 7.219 -0.699) 7.370 9.848 ( 8.946 9.350 -2.416) 13.164 10.465 ( 0.408 0.918 0.785) 1.275 11.853 ( 18.285 9.214 -2.376) 20.612 13.767 ( -7.168 -10.401 3.728) 13.171 15.348 ( -9.901 -2.841 -8.422) 13.305======================= Grid point 42 (31/580) =======================q-point: ( 0.28 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.401 ( 17.527 18.713 5.796) 26.286 2.950 ( 16.061 27.821 3.493) 32.314 4.694 ( 4.998 10.026 -3.185) 11.647 4.880 ( 22.352 28.751 -0.622) 36.422 5.636 ( 12.977 15.013 0.676) 19.856 7.081 ( -3.980 -6.757 1.696) 8.023 9.595 ( -10.372 16.583 -1.129) 19.592 10.217 ( 24.536 1.808 -2.553) 24.735 10.428 ( -1.616 -4.342 3.186) 5.623 12.301 ( 19.916 12.411 0.710) 23.477 13.531 ( -10.273 -9.508 4.678) 14.759 15.112 ( -9.638 -3.909 -10.029) 14.449======================= Grid point 43 (32/580) =======================q-point: ( 0.33 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.885 ( 17.586 14.573 2.446) 22.970 3.473 ( 11.792 27.182 2.435) 29.729 4.821 ( 1.146 9.714 -2.402) 10.072 5.500 ( 21.795 18.736 -6.161) 29.395 6.022 ( 14.831 13.027 1.976) 19.839 6.955 ( -4.177 -6.089 4.463) 8.628 9.588 ( -8.748 16.083 -0.412) 18.313 10.388 ( 0.060 -2.751 5.582) 6.224 10.655 ( 23.932 3.316 -2.647) 24.305 12.720 ( 16.090 7.000 -4.883) 18.213 13.280 ( -11.781 -4.942 9.859) 16.138 14.889 ( -6.775 -5.005 -9.768) 12.898======================= Grid point 44 (33/580) =======================q-point: ( 0.39 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.293 ( 15.293 9.688 -0.225) 18.105 3.899 ( 6.494 25.546 1.374) 26.394 4.916 ( -1.164 11.034 -1.935) 11.262 5.935 ( 16.358 8.858 -10.727) 21.473 6.389 ( 13.629 9.478 1.513) 16.669 6.863 ( -2.689 -4.630 9.134) 10.588 9.617 ( -5.979 15.487 0.667) 16.614 10.424 ( 3.497 -0.576 7.173) 8.001 11.067 ( 19.881 5.200 -2.977) 20.764 12.778 ( -6.417 -6.461 -13.220) 16.053 13.259 ( 3.649 6.693 14.943) 16.775 14.728 ( -2.194 -5.927 -7.353) 9.695======================= Grid point 45 (34/580) =======================q-point: ( 0.44 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.590 ( 11.484 4.657 -1.934) 12.542 4.205 ( 0.900 22.955 0.658) 22.982 4.987 ( -3.227 12.037 -1.250) 12.525 6.168 ( 9.160 3.444 -13.530) 16.699 6.669 ( 10.392 4.459 0.495) 11.319 6.840 ( 0.349 -3.840 13.028) 13.587 9.689 ( -4.989 16.827 0.819) 17.570 10.536 ( 7.856 -2.224 7.209) 10.892 11.400 ( 13.884 4.931 -3.313) 15.102 12.491 ( -14.848 -1.800 -8.994) 17.453 13.444 ( 5.887 2.722 7.268) 9.741 14.648 ( 2.156 -6.616 -3.883) 7.968======================= Grid point 46 (35/580) =======================q-point: ( 0.50 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.766 ( 7.099 0.302 -2.479) 7.525 4.388 ( -4.488 19.858 0.496) 20.365 5.034 ( -5.217 12.692 -0.506) 13.732 6.263 ( 4.958 1.996 -11.670) 12.835 6.797 ( 1.900 -1.188 -3.657) 4.289 6.897 ( 5.564 -3.990 15.605) 17.041 9.765 ( -7.142 18.206 -0.287) 19.559 10.667 ( 9.993 -8.533 4.292) 13.823 11.601 ( 7.393 1.068 -3.587) 8.287 12.238 ( -14.841 9.731 -5.034) 18.447 13.549 ( 4.150 -2.157 3.250) 5.695 14.631 ( 4.446 -7.174 -1.175) 8.522======================= Grid point 47 (36/580) =======================q-point: (-0.44 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.826 ( 2.426 -2.938 -2.125) 4.363 4.449 ( -9.691 16.770 0.654) 19.380 5.054 ( -7.026 12.650 0.077) 14.470 6.326 ( 4.296 2.165 -7.570) 8.969 6.743 ( -1.597 -5.833 -4.540) 7.562 6.980 ( 2.455 -5.028 12.786) 13.957 9.786 ( -10.260 16.658 -1.896) 19.655 10.687 ( 4.092 -13.626 -2.610) 14.465 11.676 ( 3.802 -2.204 -0.950) 4.496 12.167 ( -9.011 18.882 -1.066) 20.950 13.571 ( 1.856 -5.374 1.187) 5.808 14.641 ( 5.107 -7.407 0.469) 9.009======================= Grid point 48 (37/580) =======================q-point: (-0.39 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.773 ( -3.231 -5.350 -1.631) 6.460 4.390 ( -15.205 13.735 0.586) 20.499 5.045 ( -8.276 11.755 0.510) 14.385 6.410 ( 4.949 2.220 -2.095) 5.814 6.606 ( -3.763 -8.461 -7.097) 11.667 6.950 ( -3.987 -6.890 10.329) 13.040 9.732 ( -11.277 12.126 -3.292) 16.884 10.550 ( -3.328 -9.185 -7.001) 12.019 11.654 ( -4.199 -4.170 1.674) 6.150 12.295 ( 2.822 17.592 0.008) 17.817 13.511 ( -2.179 -6.812 -0.151) 7.153 14.667 ( 5.888 -6.668 2.163) 9.155======================= Grid point 49 (38/580) =======================q-point: (-0.33 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.592 ( -10.167 -7.189 -1.576) 12.551 4.201 ( -21.015 10.475 0.067) 23.481 5.007 ( -8.987 10.157 0.732) 13.582 6.383 ( -8.609 -10.629 1.192) 13.730 6.538 ( 6.903 1.826 -5.293) 8.889 6.772 ( -10.963 -7.882 5.553) 14.599 9.641 ( -9.360 8.905 -3.508) 13.387 10.389 ( -5.505 -1.923 -7.227) 9.286 11.457 ( -12.158 -7.606 2.303) 14.525 12.570 ( 10.619 13.052 -2.110) 16.958 13.353 ( -8.049 -7.374 -0.583) 10.932 14.736 ( 7.643 -4.614 4.383) 9.945======================= Grid point 50 (39/580) =======================q-point: (-0.28 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.273 ( -17.376 -8.129 -1.917) 19.279 3.879 ( -26.406 7.004 -0.622) 27.326 4.942 ( -9.358 7.928 0.605) 12.280 6.072 ( -15.537 -12.006 0.444) 19.640 6.411 ( -18.163 -8.671 4.559) 20.637 6.721 ( 8.750 2.086 -3.599) 9.689 9.584 ( -7.046 10.400 -2.114) 12.739 10.290 ( -2.771 1.385 -6.013) 6.764 11.122 ( -15.604 -12.707 2.338) 20.258 12.849 ( 6.977 10.337 -12.508) 17.663 13.110 ( -8.750 -7.807 6.918) 13.615 14.870 ( 9.570 -1.960 6.158) 11.548======================= Grid point 51 (40/580) =======================q-point: (-0.22 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.835 ( -23.542 -7.599 -2.196) 24.836 3.438 ( -30.680 3.629 -1.095) 30.913 4.848 ( -9.250 5.163 0.270) 10.597 5.584 ( -29.006 -11.207 1.724) 31.143 6.010 ( -18.849 -7.537 0.846) 20.318 6.891 ( 9.448 1.599 -1.510) 9.701 9.584 ( -7.275 14.591 -0.470) 16.311 10.288 ( 3.264 0.763 -4.098) 5.294 10.705 ( -16.146 -17.188 1.994) 23.666 12.650 ( -20.367 -1.136 -10.551) 22.966 13.228 ( 13.438 2.378 3.929) 14.201 15.057 ( 10.548 0.093 6.280) 12.277======================= Grid point 52 (41/580) =======================q-point: (-0.17 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.320 ( -27.820 -5.066 -1.816) 28.336 2.905 ( -33.439 0.915 -1.010) 33.467 4.732 ( -8.831 2.277 0.326) 9.126 4.885 ( -41.136 -7.335 0.561) 41.789 5.635 ( -18.210 -4.520 0.320) 18.765 7.056 ( 8.693 0.817 -0.610) 8.753 9.608 ( -8.133 16.410 0.227) 18.316 10.240 ( -13.126 -17.939 -0.486) 22.234 10.395 ( 4.591 -0.788 -0.143) 4.660 12.233 ( -22.594 -0.789 -5.412) 23.247 13.493 ( 13.709 1.722 0.659) 13.832 15.261 ( 10.217 0.818 4.243) 11.093======================= Grid point 53 (42/580) =======================q-point: (-0.11 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.793 ( -29.649 0.000 0.000) 29.649 2.321 ( -34.500 0.000 0.000) 34.500 4.054 ( -50.299 0.000 0.000) 50.299 4.614 ( -6.701 0.000 0.000) 6.701 5.299 ( -18.402 0.000 0.000) 18.402 7.198 ( 7.421 -0.000 -0.000) 7.421 9.595 ( -6.570 0.000 0.000) 6.570 9.873 ( -13.233 0.000 0.000) 13.233 10.458 ( -0.288 0.000 0.000) 0.288 11.878 ( -15.582 0.000 0.000) 15.582 13.729 ( 12.547 -0.000 -0.000) 12.547 15.438 ( 8.740 -0.000 -0.000) 8.740======================= Grid point 58 (43/580) =======================q-point: ( 0.17 0.17 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.652 ( -0.000 25.646 11.479) 28.098 1.947 ( -0.000 29.795 4.850) 30.187 3.723 ( -0.000 53.690 6.501) 54.082 4.458 ( 0.000 3.543 -3.999) 5.343 5.172 ( 0.000 20.304 -0.800) 20.320 7.262 ( -0.000 -7.831 0.683) 7.861 9.168 ( 0.000 -2.744 -1.637) 3.195 10.268 ( -0.000 15.407 2.080) 15.547 10.294 ( 0.000 17.599 -2.548) 17.783 11.424 ( 0.000 0.498 -12.854) 12.864 13.890 ( -0.000 -11.047 3.771) 11.673 15.566 ( 0.000 -3.594 -4.111) 5.461======================= Grid point 59 (44/580) =======================q-point: ( 0.22 0.17 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.989 ( 5.725 24.805 9.111) 27.039 2.375 ( 13.213 28.285 4.315) 31.516 4.313 ( 7.198 47.196 3.000) 47.836 4.529 ( 5.153 4.431 -3.598) 7.690 5.393 ( 2.158 20.968 0.068) 21.079 7.174 ( -1.402 -7.677 0.441) 7.817 9.286 ( 16.198 -2.574 -1.812) 16.501 10.224 ( -15.542 21.738 -1.337) 26.756 10.473 ( 0.031 1.090 1.283) 1.684 11.595 ( 17.998 9.229 -9.408) 22.307 13.763 ( -3.352 -11.035 4.229) 12.284 15.447 ( -7.114 -4.166 -4.846) 9.563======================= Grid point 60 (45/580) =======================q-point: ( 0.28 0.17 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.386 ( 10.143 21.895 5.932) 24.849 2.939 ( 17.915 27.041 3.560) 32.631 4.676 ( 6.927 7.072 -3.486) 10.495 4.890 ( 11.418 34.444 -2.076) 36.346 5.667 ( 5.134 21.184 2.396) 21.928 7.071 ( -2.359 -7.092 1.466) 7.617 9.600 ( 21.030 -1.509 -0.843) 21.101 10.173 ( -11.936 18.703 -3.266) 22.426 10.435 ( -1.846 -1.697 2.765) 3.732 12.040 ( 22.243 11.194 -6.286) 25.682 13.595 ( -6.089 -9.371 5.581) 12.492 15.227 ( -10.849 -4.378 -6.266) 13.272======================= Grid point 61 (46/580) =======================q-point: ( 0.33 0.17 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.792 ( 12.459 17.472 2.513) 21.606 3.514 ( 16.335 26.570 2.713) 31.307 4.856 ( 5.457 9.545 -3.591) 11.567 5.361 ( 13.836 20.024 -6.660) 25.235 5.998 ( 7.638 20.277 4.081) 22.049 6.969 ( -2.876 -5.951 3.894) 7.672 9.832 ( 0.546 4.608 3.219) 5.648 10.276 ( 15.455 3.532 -4.827) 16.572 10.441 ( -2.078 8.945 1.938) 9.386 12.463 ( 18.574 5.568 -8.015) 20.982 13.428 ( -7.203 -4.768 9.222) 12.636 14.967 ( -10.959 -4.859 -7.001) 13.883======================= Grid point 62 (47/580) =======================q-point: ( 0.39 0.17 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.159 ( 12.471 12.126 -0.460) 17.401 4.021 ( 11.149 26.140 1.797) 28.475 5.017 ( 2.239 11.989 -3.912) 12.808 5.722 ( 14.731 9.202 -8.549) 19.359 6.323 ( 7.828 14.702 2.973) 16.920 6.890 ( -2.504 -4.061 7.429) 8.829 9.838 ( -4.109 5.662 5.745) 9.053 10.469 ( -1.364 9.659 1.548) 9.877 10.707 ( 23.482 4.582 -5.644) 24.581 12.670 ( 7.045 -2.861 -12.740) 14.836 13.365 ( -2.616 2.706 13.814) 14.317 14.727 ( -7.772 -5.895 -6.302) 11.613======================= Grid point 63 (48/580) =======================q-point: ( 0.44 0.17 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.446 ( 10.646 6.616 -2.499) 12.781 4.414 ( 4.401 25.055 1.074) 25.461 5.144 ( -0.547 13.457 -3.568) 13.932 5.985 ( 11.766 4.241 -10.311) 16.209 6.564 ( 7.501 6.040 2.764) 10.020 6.855 ( -1.546 -2.578 9.794) 10.246 9.889 ( -0.162 8.060 6.831) 10.567 10.526 ( -3.125 8.708 0.047) 9.252 11.122 ( 21.350 3.054 -5.569) 22.275 12.610 ( -4.154 -1.043 -10.993) 11.798 13.444 ( 1.410 2.878 10.898) 11.360 14.555 ( -2.235 -7.574 -4.132) 8.913======================= Grid point 64 (49/580) =======================q-point: ( 0.50 0.17 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.636 ( 7.836 1.879 -3.275) 8.698 4.672 ( -2.369 23.012 0.804) 23.148 5.243 ( -2.911 14.500 -2.375) 14.979 6.142 ( 7.157 2.971 -11.617) 13.964 6.729 ( 6.360 0.601 1.982) 6.688 6.835 ( -0.285 -5.236 11.564) 12.698 10.025 ( 0.061 13.792 5.277) 14.767 10.523 ( -1.368 -1.167 -1.364) 2.256 11.428 ( 13.140 1.873 -5.288) 14.287 12.510 ( -7.351 9.106 -6.929) 13.600 13.499 ( 0.732 -1.678 6.326) 6.586 14.472 ( 3.126 -9.393 -1.549) 10.020======================= Grid point 65 (50/580) =======================q-point: ( 0.56 0.17 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.733 ( 4.602 -1.439 -2.910) 5.632 4.797 ( -8.200 20.282 0.906) 21.895 5.310 ( -5.845 15.187 -0.807) 16.292 6.232 ( 5.283 2.650 -11.248) 12.706 6.721 ( -3.318 -4.590 -0.979) 5.748 6.889 ( 6.337 -6.769 13.324) 16.233 10.128 ( -9.544 16.916 -1.838) 19.509 10.483 ( 5.349 -9.499 0.888) 10.938 11.577 ( 5.450 0.689 -3.958) 6.771 12.499 ( -7.966 17.426 -3.239) 19.433 13.488 ( 0.979 -5.975 3.055) 6.781 14.454 ( 6.126 -10.399 0.201) 12.071======================= Grid point 66 (51/580) =======================q-point: (-0.39 0.17 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.745 ( 0.506 -3.447 -2.075) 4.055 4.799 ( -13.579 17.186 0.873) 21.921 5.333 ( -8.919 14.836 0.666) 17.323 6.311 ( 5.766 2.017 -11.156) 12.719 6.582 ( -4.661 -8.461 0.790) 9.692 6.936 ( 1.807 -7.185 10.686) 13.003 10.002 ( -12.219 3.086 -7.464) 14.647 10.536 ( 1.037 4.162 1.917) 4.698 11.619 ( 1.630 -3.075 -1.303) 3.716 12.533 ( -7.788 18.240 -1.329) 19.878 13.446 ( 1.120 -7.439 0.797) 7.565 14.474 ( 7.699 -9.755 1.381) 12.504======================= Grid point 67 (52/580) =======================q-point: (-0.33 0.17 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.661 ( -5.238 -4.529 -1.452) 7.075 4.672 ( -19.311 13.339 0.409) 23.473 5.303 ( -11.122 13.194 1.570) 17.327 6.345 ( 0.300 -7.140 -13.594) 15.357 6.462 ( 1.145 -1.879 6.214) 6.592 6.867 ( -5.484 -7.111 7.376) 11.622 9.800 ( -7.652 -2.024 -7.111) 10.640 10.564 ( -8.517 13.318 -0.519) 15.817 11.532 ( -5.411 -9.506 1.182) 11.001 12.608 ( -0.772 14.148 -1.617) 14.261 13.372 ( -2.382 -6.547 -0.402) 6.978 14.542 ( 9.457 -7.132 2.562) 12.119======================= Grid point 68 (53/580) =======================q-point: (-0.28 0.17 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.461 ( -12.300 -4.603 -1.170) 13.185 4.402 ( -24.916 8.642 -0.129) 26.373 5.222 ( -12.307 9.865 1.430) 15.837 6.145 ( -7.355 -10.300 -4.092) 13.301 6.565 ( 5.285 0.379 3.211) 6.196 6.659 ( -11.587 -5.227 0.966) 12.748 9.684 ( -1.587 -0.452 -4.579) 4.867 10.512 ( -13.295 15.716 -2.083) 20.690 11.252 ( -13.334 -14.601 2.270) 19.903 12.778 ( 7.280 9.639 -3.827) 12.671 13.218 ( -8.560 -5.893 0.637) 10.412 14.677 ( 11.302 -3.589 3.242) 12.294======================= Grid point 69 (54/580) =======================q-point: (-0.22 0.17 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.146 ( -19.261 -3.215 -0.856) 19.546 3.995 ( -29.497 3.783 -0.335) 29.740 5.087 ( -12.223 4.867 0.611) 13.171 5.869 ( -14.850 -6.460 -0.826) 16.216 6.302 ( -20.508 -3.842 1.962) 20.957 6.736 ( 9.395 0.781 -0.924) 9.473 9.703 ( 2.944 2.746 -1.598) 4.331 10.423 ( -12.198 12.993 -2.338) 17.974 10.837 ( -17.187 -15.830 2.068) 23.458 12.923 ( -11.341 5.653 -11.781) 17.302 13.045 ( 7.449 -4.395 9.114) 12.564 14.870 ( 12.248 -0.919 2.523) 12.539======================= Grid point 70 (55/580) =======================q-point: (-0.17 0.17 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.748 ( -24.745 0.000 0.000) 24.745 3.478 ( -32.465 0.000 0.000) 32.465 4.913 ( -10.756 0.000 0.000) 10.756 5.466 ( -29.230 0.000 0.000) 29.230 5.932 ( -19.578 0.000 0.000) 19.578 6.902 ( 9.533 -0.000 -0.000) 9.533 9.770 ( 0.383 -0.000 -0.000) 0.383 10.353 ( -3.195 0.000 0.000) 3.195 10.428 ( -18.241 0.000 0.000) 18.241 12.605 ( -21.400 0.000 0.000) 21.400 13.265 ( 13.811 -0.000 -0.000) 13.811 15.080 ( 11.859 -0.000 -0.000) 11.859======================= Grid point 77 (56/580) =======================q-point: ( 0.22 0.22 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.221 ( -0.000 24.970 7.140) 25.971 2.549 ( -0.000 27.705 4.535) 28.073 4.511 ( 0.000 4.430 -3.655) 5.743 4.720 ( -0.000 43.168 -0.298) 43.169 5.601 ( -0.000 23.570 1.647) 23.627 7.111 ( -0.000 -7.446 0.762) 7.485 9.118 ( 0.000 -0.863 -2.672) 2.808 10.472 ( -0.000 0.082 1.638) 1.640 10.600 ( -0.000 16.363 2.486) 16.551 11.477 ( 0.000 13.853 -13.582) 19.400 13.699 ( -0.000 -10.419 4.571) 11.378 15.448 ( 0.000 -5.511 -3.912) 6.758======================= Grid point 78 (57/580) =======================q-point: ( 0.28 0.22 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.512 ( 3.709 22.880 4.685) 23.647 2.941 ( 12.251 25.867 3.971) 28.896 4.599 ( 6.124 5.079 -3.154) 8.559 5.109 ( 2.290 32.190 -6.239) 32.869 5.869 ( 1.046 26.574 4.618) 26.993 7.038 ( -1.056 -6.312 2.137) 6.747 9.241 ( 15.324 -0.525 -2.651) 15.560 10.412 ( -4.867 -7.556 4.107) 9.882 10.643 ( -10.954 20.926 -0.720) 23.631 11.767 ( 18.173 13.123 -11.522) 25.204 13.599 ( -2.573 -8.091 5.543) 10.140 15.317 ( -6.741 -5.810 -4.302) 9.885======================= Grid point 79 (58/580) =======================q-point: ( 0.33 0.22 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.820 ( 6.476 18.993 1.744) 20.142 3.468 ( 18.057 23.936 3.150) 30.148 4.788 ( 9.780 6.688 -2.899) 12.198 5.384 ( 3.805 19.432 -10.110) 22.233 6.177 ( 1.412 26.323 5.519) 26.932 6.971 ( -1.854 -4.203 4.657) 6.541 9.569 ( 22.634 -0.759 -0.868) 22.664 10.243 ( -5.597 -6.009 3.613) 8.972 10.695 ( -7.747 21.958 -2.581) 23.427 12.157 ( 19.113 5.620 -10.379) 22.464 13.504 ( -3.739 -3.828 7.584) 9.282 15.091 ( -10.740 -5.546 -4.738) 12.983======================= Grid point 80 (59/580) =======================q-point: ( 0.39 0.22 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.110 ( 7.941 13.870 -1.074) 16.019 4.020 ( 17.610 22.539 2.270) 28.692 5.023 ( 8.771 9.713 -3.727) 13.607 5.583 ( 7.597 9.317 -9.660) 15.422 6.438 ( 0.394 18.797 3.403) 19.107 6.931 ( -2.397 -0.486 7.685) 8.065 9.861 ( 7.354 -3.522 8.227) 11.583 10.271 ( 16.997 0.487 -3.856) 17.436 10.770 ( -7.500 20.691 -4.419) 22.447 12.427 ( 13.693 -1.109 -10.877) 17.523 13.464 ( -2.390 0.720 9.918) 10.227 14.826 ( -11.546 -5.427 -4.526) 13.537======================= Grid point 81 (60/580) =======================q-point: ( 0.44 0.22 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.350 ( 7.915 8.379 -3.069) 11.928 4.509 ( 12.742 21.573 1.523) 25.101 5.231 ( 4.073 12.544 -5.398) 14.251 5.784 ( 12.009 3.404 -7.370) 14.496 6.576 ( 0.145 7.088 3.006) 7.701 6.926 ( -3.539 3.214 8.321) 9.597 9.911 ( 2.501 -2.308 11.278) 11.780 10.690 ( 24.285 6.174 -4.856) 25.524 10.795 ( -7.030 13.563 -7.366) 16.960 12.547 ( 6.253 -0.051 -10.083) 11.865 13.493 ( -0.109 1.176 10.119) 10.188 14.573 ( -9.265 -6.229 -3.477) 11.694======================= Grid point 82 (61/580) =======================q-point: ( 0.50 0.22 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.523 ( 6.799 3.558 -3.816) 8.570 4.879 ( 5.275 20.700 1.269) 21.399 5.379 ( 1.218 12.829 -5.634) 14.065 5.995 ( 10.671 3.482 -7.346) 13.414 6.639 ( 3.298 -1.831 6.221) 7.276 6.900 ( -5.787 1.656 5.968) 8.476 10.028 ( 7.675 0.906 11.140) 13.558 10.698 ( -12.410 7.876 -8.261) 16.861 11.144 ( 21.551 5.233 -5.501) 22.850 12.615 ( 1.625 7.967 -7.857) 11.307 13.519 ( -0.862 -1.760 8.191) 8.422 14.374 ( -4.100 -8.607 -1.806) 9.704======================= Grid point 83 (62/580) =======================q-point: ( 0.56 0.22 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.631 ( 5.131 0.188 -3.362) 6.138 5.100 ( -2.920 18.970 1.305) 19.238 5.502 ( 0.165 13.034 -3.661) 13.539 6.143 ( 4.986 4.773 -9.415) 11.674 6.712 ( 6.306 -5.475 6.439) 10.545 6.798 ( -6.238 -4.126 6.294) 9.776 10.257 ( 11.626 3.538 9.855) 15.646 10.473 ( -14.403 0.350 -9.200) 17.094 11.467 ( 10.736 6.573 -5.155) 13.603 12.719 ( -0.390 15.103 -5.339) 16.024 13.472 ( -3.408 -4.829 5.459) 8.046 14.257 ( 2.595 -11.565 -0.043) 11.853======================= Grid point 84 (63/580) =======================q-point: (-0.39 0.22 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.682 ( 2.814 -1.632 -2.285) 3.976 5.169 ( -9.341 15.835 1.032) 18.414 5.605 ( -3.866 14.381 -0.103) 14.892 6.207 ( 3.021 2.165 -11.344) 11.937 6.616 ( -7.566 -5.635 1.404) 9.538 6.818 ( 7.179 -8.170 10.325) 14.996 10.166 ( -13.061 -5.981 -8.286) 16.584 10.548 ( 9.650 9.709 7.371) 15.547 11.595 ( 0.196 3.942 -4.673) 6.117 12.832 ( -5.042 17.251 -2.500) 18.146 13.370 ( -1.835 -7.294 2.290) 7.862 14.233 ( 7.798 -11.913 1.122) 14.282======================= Grid point 85 (64/580) =======================q-point: (-0.33 0.22 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.675 ( -0.943 -2.243 -1.267) 2.744 5.099 ( -15.181 11.491 0.487) 19.046 5.637 ( -9.944 14.355 2.910) 17.703 6.207 ( 2.411 -5.001 -12.854) 14.002 6.467 ( -3.181 -4.197 4.217) 6.746 6.859 ( 1.789 -5.917 6.542) 9.001 9.878 ( -10.148 -5.483 -6.288) 13.136 10.801 ( 2.560 14.487 4.422) 15.362 11.526 ( -6.027 -4.907 -2.934) 8.308 12.841 ( -9.765 12.628 -0.523) 15.972 13.311 ( 1.703 -5.751 -0.320) 6.006 14.297 ( 10.812 -8.325 1.554) 13.734======================= Grid point 86 (65/580) =======================q-point: (-0.28 0.22 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.589 ( -6.548 -1.773 -0.581) 6.809 4.874 ( -21.150 5.782 0.059) 21.926 5.554 ( -14.403 8.956 2.238) 17.107 6.109 ( -1.139 -7.532 -5.676) 9.499 6.477 ( 4.273 0.021 1.403) 4.498 6.793 ( -6.254 -3.213 2.761) 7.554 9.692 ( -4.517 -2.653 -3.181) 6.128 10.921 ( -10.122 19.593 0.884) 22.070 11.284 ( -8.785 -15.837 -0.160) 18.111 12.807 ( -3.030 5.976 -0.800) 6.748 13.270 ( -2.391 -2.925 -0.368) 3.796 14.445 ( 12.414 -3.325 1.267) 12.914======================= Grid point 87 (66/580) =======================q-point: (-0.22 0.22 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.410 ( -13.165 0.000 0.000) 13.165 4.495 ( -26.178 0.000 0.000) 26.178 5.347 ( -14.500 0.000 0.000) 14.500 6.005 ( -6.088 0.000 0.000) 6.088 6.588 ( 7.863 -0.000 -0.000) 7.863 6.599 ( -14.850 0.000 0.000) 14.850 9.652 ( 1.562 -0.000 -0.000) 1.562 10.793 ( -18.470 0.000 0.000) 18.470 10.996 ( -11.742 0.000 0.000) 11.742 12.870 ( 6.802 -0.000 -0.000) 6.802 13.153 ( -9.487 0.000 0.000) 9.487 14.651 ( 12.873 -0.000 -0.000) 12.873======================= Grid point 96 (67/580) =======================q-point: ( 0.28 0.28 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.718 ( -0.000 21.528 2.608) 21.685 3.094 ( -0.000 24.293 3.995) 24.620 4.581 ( 0.000 4.850 -2.664) 5.533 5.344 ( 0.000 23.436 -10.821) 25.814 6.163 ( -0.000 29.680 6.108) 30.302 7.004 ( -0.000 -4.116 4.001) 5.740 9.097 ( 0.000 0.796 -3.213) 3.311 10.390 ( -0.000 -8.556 5.585) 10.218 10.938 ( -0.000 15.895 2.329) 16.064 11.687 ( 0.000 14.611 -15.700) 21.447 13.572 ( -0.000 -5.169 5.783) 7.757 15.299 ( 0.000 -6.724 -3.860) 7.754======================= Grid point 97 (68/580) =======================q-point: ( 0.33 0.28 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.940 ( 2.092 18.391 0.230) 18.511 3.440 ( 11.641 21.827 3.389) 24.968 4.684 ( 7.002 5.189 -2.100) 8.964 5.493 ( 0.139 15.049 -12.836) 19.780 6.460 ( -0.789 26.011 4.461) 26.403 6.993 ( -1.029 0.587 7.176) 7.273 9.228 ( 14.689 1.030 -2.820) 14.993 10.279 ( -4.729 -8.776 6.615) 11.964 11.030 ( -6.759 18.419 -0.766) 19.635 11.889 ( 13.446 6.992 -13.399) 20.229 13.546 ( -1.592 -1.157 6.422) 6.716 15.165 ( -6.097 -6.604 -3.816) 9.765======================= Grid point 98 (69/580) =======================q-point: ( 0.39 0.28 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.147 ( 3.562 14.000 -2.094) 14.597 3.916 ( 18.119 19.153 2.603) 26.494 4.900 ( 12.045 6.247 -2.045) 13.722 5.574 ( 1.016 8.784 -11.872) 14.803 6.642 ( -2.510 13.696 1.604) 14.016 7.040 ( -2.704 9.176 9.775) 13.677 9.562 ( 22.216 0.364 0.026) 22.219 10.147 ( -2.331 -5.898 4.628) 7.851 11.092 ( -7.331 19.401 -4.263) 21.173 12.131 ( 15.123 -0.155 -10.151) 18.215 13.541 ( -2.130 1.834 6.976) 7.521 14.949 ( -10.041 -5.816 -3.474) 12.113======================= Grid point 99 (70/580) =======================q-point: ( 0.44 0.28 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.320 ( 4.424 9.094 -3.685) 10.763 4.425 ( 18.782 16.800 1.832) 25.266 5.184 ( 12.515 8.793 -3.377) 15.663 5.641 ( 4.528 3.591 -8.475) 10.258 6.677 ( -3.346 3.878 2.232) 5.587 7.112 ( -5.925 11.935 8.089) 15.588 9.854 ( 7.258 -3.123 10.798) 13.380 10.251 ( 21.253 0.644 -5.922) 22.072 11.106 ( -9.877 15.847 -6.674) 19.830 12.343 ( 13.604 0.375 -7.546) 15.561 13.548 ( -1.985 1.288 7.045) 7.431 14.696 ( -11.662 -5.076 -2.650) 12.992======================= Grid point 100 (71/580) =======================q-point: ( 0.50 0.28 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.452 ( 4.612 4.636 -4.091) 7.714 4.881 ( 15.149 14.883 1.421) 21.284 5.427 ( 5.009 11.143 -6.718) 13.942 5.785 ( 13.065 0.972 -3.583) 13.582 6.642 ( -2.961 -1.389 4.308) 5.410 7.102 ( -9.568 7.993 5.129) 13.481 9.945 ( 5.180 -1.561 11.388) 12.608 10.674 ( 22.856 -0.792 -8.339) 24.342 11.039 ( -7.785 12.510 -6.157) 15.969 12.565 ( 10.521 7.384 -6.236) 14.286 13.536 ( -1.616 -2.678 6.826) 7.509 14.440 ( -11.264 -5.331 -1.553) 12.558======================= Grid point 101 (72/580) =======================q-point: ( 0.56 0.28 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.545 ( 4.324 1.425 -3.382) 5.671 5.234 ( 8.266 13.761 2.093) 16.189 5.547 ( 2.411 7.994 -7.163) 11.001 6.046 ( 12.530 5.880 -4.091) 14.433 6.592 ( 0.201 -6.845 7.073) 9.845 6.978 ( -12.379 2.656 2.825) 12.972 10.112 ( 10.324 0.975 9.401) 13.997 10.664 ( -10.661 -3.441 -8.833) 14.267 11.285 ( 17.327 10.223 -4.223) 20.556 12.797 ( 5.961 14.244 -5.790) 16.491 13.485 ( -1.387 -6.790 6.342) 9.395 14.202 ( -8.293 -7.499 -0.462) 11.190======================= Grid point 102 (73/580) =======================q-point: ( 0.61 0.28 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.609 ( 3.587 -0.283 -2.093) 4.163 5.417 ( -2.766 11.425 1.922) 11.912 5.674 ( 6.918 6.478 -4.151) 10.347 6.217 ( -0.561 8.427 -7.277) 11.148 6.604 ( 9.011 -9.767 8.045) 15.534 6.766 ( -12.976 -2.030 2.239) 13.324 10.290 ( -5.174 -1.765 -0.497) 5.489 10.453 ( 4.921 0.370 0.745) 4.991 11.594 ( 7.889 7.843 -3.961) 11.809 12.992 ( 1.752 14.659 -4.156) 15.338 13.396 ( -4.101 -5.786 4.193) 8.239 14.032 ( 0.084 -10.530 0.648) 10.550======================= Grid point 103 (74/580) =======================q-point: (-0.33 0.28 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.647 ( 1.881 -0.686 -0.858) 2.178 5.401 ( -9.338 6.202 0.453) 11.219 5.849 ( 4.308 8.394 1.626) 9.573 6.151 ( -7.461 -1.135 -7.117) 10.373 6.542 ( -9.177 -2.234 1.015) 9.499 6.732 ( 9.041 -4.595 4.588) 11.131 10.024 ( -13.850 -3.010 -3.208) 14.532 10.729 ( 15.465 3.688 3.381) 16.254 11.647 ( -6.693 2.890 -2.702) 7.775 13.108 ( -3.420 10.561 -0.530) 11.114 13.252 ( -5.382 -5.287 0.216) 7.548 14.037 ( 10.082 -6.940 0.924) 12.275======================= Grid point 104 (75/580) =======================q-point: (-0.28 0.28 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.647 ( -1.493 0.000 0.000) 1.493 5.220 ( -15.515 0.000 0.000) 15.515 5.880 ( -15.713 0.000 0.000) 15.713 6.017 ( 4.754 -0.000 -0.000) 4.754 6.447 ( -1.115 0.000 0.000) 1.115 6.817 ( 2.041 -0.000 -0.000) 2.041 9.795 ( -9.894 0.000 0.000) 9.894 11.001 ( 11.317 -0.000 -0.000) 11.317 11.437 ( -16.619 0.000 0.000) 16.619 12.977 ( -12.258 0.000 0.000) 12.258 13.245 ( 3.054 -0.000 -0.000) 3.054 14.210 ( 12.789 -0.000 -0.000) 12.789======================= Grid point 115 (76/580) =======================q-point: ( 0.33 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.094 ( 0.000 15.966 -1.601) 16.046 3.552 ( -0.000 19.351 3.049) 19.589 4.664 ( 0.000 4.775 -1.341) 4.959 5.571 ( 0.000 9.991 -13.450) 16.755 6.691 ( -0.000 15.255 1.057) 15.292 7.090 ( -0.000 11.645 10.655) 15.784 9.103 ( 0.000 1.848 -3.135) 3.639 10.262 ( -0.000 -8.383 7.708) 11.388 11.249 ( -0.000 13.825 1.800) 13.942 11.787 ( 0.000 6.254 -15.682) 16.883 13.585 ( -0.000 2.135 5.716) 6.102 15.137 ( 0.000 -6.949 -3.490) 7.776======================= Grid point 116 (77/580) =======================q-point: ( 0.39 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.234 ( 0.874 12.393 -3.251) 12.842 3.839 ( 11.326 16.275 2.389) 19.971 4.773 ( 7.564 4.746 -0.884) 8.974 5.605 ( -0.148 6.209 -11.971) 13.486 6.773 ( -1.667 5.321 0.605) 5.609 7.264 ( -2.496 18.054 9.979) 20.779 9.240 ( 14.428 1.861 -2.371) 14.739 10.171 ( -4.086 -6.766 7.285) 10.749 11.348 ( -3.926 14.314 -1.594) 14.929 11.873 ( 10.116 0.852 -11.257) 15.159 13.623 ( -1.520 4.067 5.096) 6.695 15.012 ( -5.334 -6.274 -3.055) 8.783======================= Grid point 117 (78/580) =======================q-point: ( 0.44 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.345 ( 1.548 8.374 -4.166) 9.481 4.252 ( 18.215 13.166 1.763) 22.544 5.002 ( 13.681 5.044 -1.099) 14.623 5.617 ( 0.319 3.572 -9.090) 9.772 6.767 ( -3.176 1.794 1.527) 3.955 7.388 ( -6.383 15.387 7.289) 18.184 9.584 ( 22.419 1.435 1.002) 22.488 10.077 ( -1.121 -4.136 3.545) 5.562 11.374 ( -7.556 11.964 -5.734) 15.268 12.066 ( 15.450 0.105 -5.606) 16.435 13.637 ( -3.254 3.306 4.468) 6.441 14.821 ( -9.100 -4.927 -2.277) 10.596======================= Grid point 118 (79/580) =======================q-point: ( 0.50 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.427 ( 2.220 4.653 -3.982) 6.514 4.703 ( 19.513 10.240 1.226) 22.070 5.318 ( 16.337 6.642 -2.540) 17.817 5.635 ( 2.687 0.836 -5.097) 5.822 6.715 ( -4.532 -0.333 2.325) 5.105 7.389 ( -10.583 10.116 4.621) 15.352 9.892 ( 6.201 -0.620 11.088) 12.719 10.209 ( 23.323 -0.313 -7.626) 24.540 11.285 ( -10.671 7.028 -6.199) 14.202 12.361 ( 17.561 4.595 -3.415) 18.470 13.598 ( -5.076 0.013 4.027) 6.479 14.595 ( -11.516 -3.618 -1.315) 12.143======================= Grid point 119 (80/580) =======================q-point: ( 0.56 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.490 ( 2.804 1.868 -2.856) 4.417 5.111 ( 17.177 7.434 1.048) 18.746 5.565 ( 2.503 6.822 -6.123) 9.503 5.786 ( 18.538 0.402 0.193) 18.543 6.622 ( -5.642 -2.477 2.979) 6.844 7.261 ( -14.223 4.920 2.409) 15.241 10.004 ( 6.224 0.481 7.928) 10.091 10.581 ( 15.947 -2.497 -6.741) 17.493 11.186 ( -1.150 5.884 -3.666) 7.027 12.715 ( 16.417 9.424 -3.500) 19.250 13.491 ( -6.078 -4.892 4.022) 8.778 14.349 ( -13.040 -3.018 -0.492) 13.393======================= Grid point 120 (81/580) =======================q-point: ( 0.61 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.544 ( 3.203 0.331 -1.339) 3.487 5.442 ( 13.288 5.374 2.363) 14.527 5.596 ( 0.163 1.688 -4.627) 4.928 6.151 ( 18.529 5.333 -2.189) 19.406 6.494 ( -5.959 -5.471 3.883) 8.973 7.029 ( -16.430 1.058 0.907) 16.489 10.192 ( 11.864 1.679 4.449) 12.781 10.532 ( -10.594 -3.492 -4.296) 11.954 11.417 ( 17.074 4.299 -1.766) 17.696 13.057 ( 10.090 14.221 -4.622) 18.039 13.340 ( -2.788 -10.969 4.826) 12.304 14.092 ( -12.790 -3.006 -0.000) 13.139======================= Grid point 121 (82/580) =======================q-point: (-0.33 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.598 ( 3.098 -0.000 -0.000) 3.098 5.547 ( -4.374 0.000 0.000) 4.374 5.714 ( 12.471 -0.000 -0.000) 12.471 6.318 ( -9.689 0.000 0.000) 9.689 6.496 ( 16.035 -0.000 -0.000) 16.035 6.753 ( -15.546 0.000 0.000) 15.546 10.262 ( -15.583 0.000 0.000) 15.583 10.463 ( 16.492 -0.000 -0.000) 16.492 11.666 ( 7.311 -0.000 -0.000) 7.311 13.164 ( -2.841 0.000 0.000) 2.841 13.328 ( 2.275 -0.000 -0.000) 2.275 13.912 ( -2.868 0.000 0.000) 2.868======================= Grid point 134 (83/580) =======================q-point: ( 0.39 0.39 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.326 ( 0.000 9.643 -4.094) 10.476 3.891 ( -0.000 13.084 1.765) 13.203 4.748 ( -0.000 4.161 -0.129) 4.163 5.617 ( 0.000 3.893 -10.259) 10.973 6.825 ( -0.000 2.398 0.783) 2.522 7.503 ( -0.000 17.964 8.090) 19.702 9.123 ( 0.000 2.007 -2.472) 3.184 10.173 ( -0.000 -5.710 7.381) 9.332 11.499 ( -0.000 10.231 1.149) 10.295 11.753 ( 0.000 0.963 -12.095) 12.133 13.700 ( -0.000 5.206 3.791) 6.440 14.986 ( 0.000 -5.922 -2.648) 6.487======================= Grid point 135 (84/580) =======================q-point: ( 0.44 0.39 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.393 ( 0.135 6.518 -4.168) 7.738 4.109 ( 11.343 9.759 1.209) 15.012 4.854 ( 7.734 3.587 0.007) 8.526 5.617 ( -0.031 2.394 -7.563) 7.933 6.830 ( -1.831 1.163 0.976) 2.378 7.651 ( -4.167 13.811 5.771) 15.537 9.264 ( 14.688 1.782 -1.531) 14.875 10.110 ( -3.857 -3.994 5.656) 7.925 11.558 ( -4.190 8.143 -3.429) 9.779 11.816 ( 10.690 0.075 -5.173) 11.876 13.740 ( -2.400 4.386 2.796) 5.728 14.885 ( -4.610 -4.623 -1.968) 6.819======================= Grid point 136 (85/580) =======================q-point: ( 0.50 0.39 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.434 ( 0.488 3.617 -3.279) 4.906 4.457 ( 18.469 6.611 0.826) 19.634 5.078 ( 14.575 2.930 -0.382) 14.872 5.615 ( 0.154 1.287 -4.592) 4.772 6.793 ( -3.693 0.220 1.072) 3.852 7.666 ( -8.748 8.497 3.486) 12.684 9.624 ( 24.287 1.598 1.065) 24.363 10.030 ( -2.235 -2.371 1.723) 3.686 11.489 ( -8.722 4.007 -4.618) 10.652 12.071 ( 17.995 2.111 -1.480) 18.179 13.715 ( -5.371 2.097 2.023) 6.111 14.731 ( -8.267 -2.861 -1.118) 8.820======================= Grid point 137 (86/580) =======================q-point: ( 0.56 0.39 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.464 ( 1.256 1.352 -1.702) 2.511 4.844 ( 19.845 3.426 0.437) 20.143 5.402 ( 19.953 2.741 -1.022) 20.166 5.616 ( 0.562 -0.150 -1.558) 1.663 6.716 ( -5.518 -0.418 0.905) 5.608 7.548 ( -12.849 3.566 1.494) 13.419 9.964 ( 2.755 0.728 7.247) 7.787 10.144 ( 26.506 -0.873 -6.025) 27.197 11.333 ( -10.248 1.614 -2.424) 10.654 12.431 ( 21.038 2.815 -0.958) 21.247 13.611 ( -8.401 -0.329 1.325) 8.511 14.540 ( -11.318 -1.306 -0.387) 11.399======================= Grid point 138 (87/580) =======================q-point: (-0.39 -0.61 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.497 ( 2.262 -0.000 -0.000) 2.262 5.188 ( 17.994 -0.000 -0.000) 17.994 5.610 ( -0.393 0.000 0.000) 0.393 5.795 ( 22.994 -0.000 -0.000) 22.994 6.605 ( -7.158 0.000 0.000) 7.158 7.319 ( -15.764 0.000 0.000) 15.764 10.043 ( 6.656 -0.000 -0.000) 6.656 10.525 ( 13.118 -0.000 -0.000) 13.118 11.230 ( 1.698 -0.000 -0.000) 1.698 12.813 ( 20.964 -0.000 -0.000) 20.964 13.443 ( -10.363 0.000 0.000) 10.363 14.317 ( -13.708 0.000 0.000) 13.708======================= Grid point 154 (88/580) =======================q-point: ( 0.44 0.44 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.433 ( 0.000 4.190 -3.403) 5.398 4.091 ( -0.000 6.375 0.648) 6.408 4.819 ( -0.000 2.610 0.359) 2.634 5.614 ( 0.000 1.413 -5.131) 5.322 6.858 ( -0.000 0.690 0.619) 0.927 7.823 ( -0.000 9.798 3.865) 10.532 9.144 ( 0.000 1.278 -1.359) 1.866 10.132 ( -0.000 -2.767 4.519) 5.299 11.661 ( -0.000 5.443 0.540) 5.470 11.694 ( 0.000 -0.156 -6.418) 6.420 13.811 ( -0.000 3.648 1.681) 4.016 14.877 ( 0.000 -3.495 -1.417) 3.771======================= Grid point 155 (89/580) =======================q-point: ( 0.50 0.44 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.452 ( -0.170 1.925 -1.883) 2.698 4.242 ( 11.513 3.185 0.320) 11.950 4.906 ( 7.675 1.392 0.146) 7.802 5.611 ( 0.042 0.660 -2.482) 2.569 6.847 ( -1.988 0.235 0.380) 2.038 7.863 ( -5.020 4.774 1.857) 7.172 9.283 ( 15.137 0.743 -0.524) 15.164 10.085 ( -3.934 -1.309 2.135) 4.664 11.624 ( -5.045 1.636 -2.554) 5.886 11.817 ( 11.879 1.083 -0.435) 11.937 13.816 ( -3.160 1.749 0.839) 3.708 14.811 ( -4.144 -1.726 -0.675) 4.540======================= Grid point 156 (90/580) =======================q-point: (-0.44 -0.56 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.457 ( 0.184 -0.000 -0.000) 0.184 4.525 ( 18.635 -0.000 -0.000) 18.635 5.107 ( 14.838 -0.000 -0.000) 14.838 5.612 ( 0.089 -0.000 -0.000) 0.089 6.798 ( -3.928 0.000 0.000) 3.928 7.763 ( -9.518 0.000 0.000) 9.518 9.647 ( 25.849 -0.000 -0.000) 25.849 10.011 ( -3.544 0.000 0.000) 3.544 11.507 ( -8.939 0.000 0.000) 8.939 12.093 ( 18.892 -0.000 -0.000) 18.892 13.743 ( -6.356 0.000 0.000) 6.356 14.698 ( -7.925 0.000 0.000) 7.925======================= Grid point 175 (91/580) =======================q-point: (-0.50 -0.50 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 820Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.460 ( -0.000 0.000 0.000) 0.000 4.156 ( -0.000 0.000 0.000) 0.000 4.847 ( -0.000 0.000 0.000) 0.000 5.610 ( -0.000 0.000 0.000) 0.000 6.866 ( -0.000 0.000 0.000) 0.000 7.934 ( -0.000 0.000 0.000) 0.000 9.152 ( -0.000 0.000 0.000) 0.000 10.120 ( -0.000 0.000 0.000) 0.000 11.670 ( -0.000 0.000 0.000) 0.000 11.717 ( -0.000 0.000 0.000) 0.000 13.854 ( -0.000 0.000 0.000) 0.000 14.837 ( -0.000 0.000 0.000) 0.000======================= Grid point 350 (92/580) =======================q-point: ( 0.06 0.06 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 570Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.282 ( -0.000 0.000 27.608) 27.608 0.282 ( -0.000 0.000 27.608) 27.608 0.514 ( -0.000 0.000 50.275) 50.275 4.395 ( 0.000 -0.000 -1.811) 1.811 4.395 ( 0.000 -0.000 -1.811) 1.811 8.768 ( 0.000 -0.000 -4.757) 4.757 9.444 ( -0.000 0.000 0.126) 0.126 9.444 ( -0.000 0.000 0.126) 0.126 9.592 ( -0.000 0.000 -0.001) 0.001 9.592 ( 0.000 -0.000 -0.001) 0.001 14.230 ( -0.000 0.000 2.073) 2.073 15.349 ( 0.000 -0.000 -0.329) 0.329======================= Grid point 351 (93/580) =======================q-point: ( 0.11 0.06 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.713 ( 14.695 8.484 27.329) 32.169 0.777 ( 24.707 14.265 14.892) 32.183 1.341 ( 48.314 27.894 15.709) 57.958 4.414 ( 1.734 1.001 -1.530) 2.520 4.512 ( 8.452 4.880 -4.308) 10.668 7.592 ( -14.542 -8.396 16.893) 23.819 9.339 ( -5.332 -3.079 -0.862) 6.217 9.621 ( 13.188 7.614 2.076) 15.369 9.734 ( 8.853 5.111 0.568) 10.239 11.472 ( 27.347 15.789 -46.123) 55.897 14.197 ( -3.987 -2.302 3.290) 5.659 15.532 ( 2.584 1.492 -16.638) 16.904======================= Grid point 352 (94/580) =======================q-point: ( 0.17 0.06 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.182 ( 19.541 11.282 19.371) 29.738 1.403 ( 25.898 14.952 10.095) 31.563 2.508 ( 49.420 28.533 7.157) 57.512 4.461 ( 2.736 1.580 -1.290) 3.413 4.761 ( 14.373 8.298 -3.621) 16.987 7.419 ( -6.418 -3.705 4.070) 8.455 9.232 ( -3.583 -2.069 -1.351) 4.353 9.964 ( 10.972 6.335 0.725) 12.690 9.997 ( 17.372 10.030 1.617) 20.125 11.690 ( 7.233 4.176 -11.172) 13.949 14.072 ( -7.942 -4.586 3.821) 9.935 15.443 ( -4.193 -2.421 -15.147) 15.902======================= Grid point 353 (95/580) =======================q-point: ( 0.22 0.06 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.726 ( 23.060 13.314 12.271) 29.318 2.016 ( 25.025 14.448 7.474) 29.847 3.617 ( 45.813 26.450 2.992) 52.985 4.527 ( 3.255 1.879 -1.127) 3.924 5.128 ( 18.199 10.507 -2.501) 21.162 7.289 ( -5.987 -3.457 1.412) 7.056 9.170 ( -1.395 -0.806 -1.613) 2.280 10.236 ( 12.578 7.262 0.812) 14.546 10.334 ( 10.383 5.994 -0.993) 12.030 11.876 ( 11.650 6.726 4.654) 14.235 13.865 ( -11.198 -6.465 3.472) 13.388 15.269 ( -6.022 -3.477 -16.004) 17.449======================= Grid point 354 (96/580) =======================q-point: ( 0.28 0.06 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.299 ( 23.827 13.757 6.908) 28.367 2.587 ( 22.931 13.239 5.445) 27.033 4.598 ( 3.265 1.885 -0.992) 3.898 4.601 ( 39.597 22.861 -1.107) 45.736 5.555 ( 19.349 11.171 -0.869) 22.359 7.153 ( -6.372 -3.679 1.677) 7.547 9.157 ( 0.742 0.428 -1.665) 1.872 10.454 ( 1.453 0.839 0.068) 1.679 10.539 ( 13.586 7.844 0.850) 15.711 12.260 ( 18.621 10.751 9.936) 23.686 13.588 ( -13.850 -7.996 2.651) 16.210 15.076 ( -5.801 -3.349 -15.902) 17.255======================= Grid point 355 (97/580) =======================q-point: ( 0.33 0.06 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.842 ( 21.885 12.635 2.774) 25.422 3.092 ( 19.734 11.394 3.708) 23.087 4.666 ( 2.831 1.634 -0.789) 3.363 5.396 ( 30.700 17.724 -6.324) 36.009 5.989 ( 18.376 10.609 0.722) 21.231 7.016 ( -6.206 -3.583 4.281) 8.347 9.189 ( 2.428 1.402 -1.575) 3.216 10.466 ( 0.130 0.075 4.550) 4.553 10.854 ( 13.577 7.839 0.844) 15.701 12.725 ( 18.302 10.567 4.933) 21.701 13.257 ( -15.673 -9.049 3.875) 18.508 14.911 ( -4.039 -2.332 -13.558) 14.338======================= Grid point 356 (98/580) =======================q-point: ( 0.39 0.06 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.301 ( 17.699 10.219 -0.342) 20.440 3.507 ( 15.638 9.029 2.271) 18.199 4.720 ( 2.071 1.196 -0.458) 2.435 5.937 ( 19.193 11.081 -12.422) 25.406 6.385 ( 15.760 9.099 0.996) 18.225 6.918 ( -4.007 -2.313 9.774) 10.814 9.251 ( 3.285 1.897 -1.454) 4.062 10.531 ( 4.186 2.417 8.570) 9.839 11.154 ( 12.163 7.023 0.801) 14.068 12.810 ( -14.450 -8.343 -12.853) 21.062 13.185 ( 11.119 6.419 14.500) 19.367 14.808 ( -1.536 -0.887 -9.186) 9.356======================= Grid point 357 (99/580) =======================q-point: ( 0.44 0.06 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.638 ( 12.100 6.986 -2.281) 14.157 3.817 ( 10.906 6.297 1.234) 12.654 4.756 ( 1.165 0.673 -0.038) 1.346 6.196 ( 8.397 4.848 -15.242) 18.064 6.694 ( 10.749 6.206 -1.571) 12.511 6.916 ( 0.101 0.058 15.529) 15.529 9.321 ( 3.093 1.786 -1.399) 3.836 10.723 ( 9.611 5.549 10.291) 15.135 11.403 ( 9.206 5.315 0.730) 10.655 12.379 ( -18.382 -10.613 -11.298) 24.046 13.461 ( 8.896 5.136 5.975) 11.883 14.774 ( 0.376 0.217 -4.555) 4.576======================= Grid point 358 (100/580) =======================q-point: ( 0.50 0.06 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.838 ( 6.232 3.598 -2.878) 7.750 4.010 ( 5.658 3.266 0.663) 6.566 4.774 ( 0.380 0.219 0.312) 0.538 6.277 ( 3.988 2.302 -11.821) 12.687 6.839 ( 3.008 1.737 -5.438) 6.452 7.009 ( 2.233 1.289 16.905) 17.100 9.375 ( 1.928 1.113 -1.439) 2.651 11.008 ( 11.131 6.426 7.806) 15.037 11.569 ( 4.931 2.847 0.656) 5.731 11.934 ( -15.766 -9.103 -10.768) 21.151 13.624 ( 4.229 2.442 2.540) 5.505 14.781 ( 0.901 0.520 -1.438) 1.774======================= Grid point 359 (101/580) =======================q-point: (-0.44 0.06 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.906 ( 0.619 0.357 -2.511) 2.611 4.076 ( -0.109 -0.063 0.479) 0.496 4.778 ( -0.080 -0.046 0.413) 0.423 6.332 ( 3.987 2.302 -6.786) 8.200 6.822 ( -2.167 -1.251 -7.151) 7.576 7.080 ( -1.393 -0.804 14.766) 14.853 9.395 ( 0.193 0.111 -1.520) 1.536 11.101 ( -7.283 -4.205 -7.531) 11.288 11.627 ( -0.099 -0.057 0.611) 0.621 11.765 ( 6.540 3.776 1.148) 7.639 13.672 ( -0.633 -0.365 1.100) 1.321 14.798 ( 0.723 0.417 0.372) 0.914======================= Grid point 360 (102/580) =======================q-point: (-0.39 0.06 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.845 ( -5.425 -3.132 -2.093) 6.605 4.007 ( -6.069 -3.504 0.368) 7.018 4.773 ( -0.457 -0.264 0.262) 0.589 6.422 ( 5.046 2.913 -1.130) 5.935 6.702 ( -5.784 -3.340 -9.044) 11.243 7.025 ( -7.769 -4.486 12.137) 15.092 9.374 ( -1.505 -0.869 -1.544) 2.324 10.784 ( -13.178 -7.609 -13.492) 20.337 11.569 ( -5.127 -2.960 0.627) 5.953 12.084 ( 16.706 9.645 3.320) 19.574 13.599 ( -6.008 -3.469 0.358) 6.947 14.822 ( 1.196 0.691 2.377) 2.749======================= Grid point 361 (103/580) =======================q-point: (-0.33 0.06 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.637 ( -12.237 -7.065 -2.272) 14.312 3.804 ( -11.718 -6.765 -0.013) 13.531 4.756 ( -1.119 -0.646 -0.020) 1.293 6.466 ( -10.603 -6.122 6.165) 13.708 6.577 ( 5.464 3.154 -10.597) 12.333 6.804 ( -13.808 -7.972 7.105) 17.455 9.321 ( -2.581 -1.490 -1.431) 3.307 10.490 ( -7.984 -4.610 -12.045) 15.169 11.403 ( -9.402 -5.428 0.715) 10.880 12.473 ( 16.320 9.422 -2.576) 19.019 13.401 ( -11.273 -6.509 0.898) 13.048 14.880 ( 2.899 1.674 5.342) 6.305======================= Grid point 362 (104/580) =======================q-point: (-0.28 0.06 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.273 ( -18.748 -10.824 -2.961) 21.850 3.476 ( -16.810 -9.705 -0.703) 19.424 4.720 ( -1.971 -1.138 -0.404) 2.311 6.117 ( -20.909 -12.072 2.189) 24.242 6.400 ( -18.478 -10.668 4.067) 21.721 6.769 ( 8.211 4.740 -3.504) 10.108 9.254 ( -2.696 -1.557 -1.166) 3.325 10.355 ( -0.841 -0.486 -8.266) 8.323 11.154 ( -12.373 -7.143 0.848) 14.312 12.727 ( 3.871 2.235 -17.669) 18.226 13.167 ( -5.633 -3.252 9.929) 11.870 14.995 ( 5.062 2.922 8.416) 10.246======================= Grid point 363 (105/580) =======================q-point: (-0.22 0.06 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.774 ( -23.677 -13.670 -3.673) 27.585 3.037 ( -21.135 -12.203 -1.477) 24.450 4.664 ( -2.707 -1.563 -0.887) 3.249 5.502 ( -33.533 -19.360 3.673) 38.894 5.988 ( -18.078 -10.437 0.688) 20.885 6.952 ( 8.162 4.712 -1.805) 9.596 9.197 ( -1.834 -1.059 -0.799) 2.263 10.379 ( 3.933 2.271 -3.628) 5.813 10.856 ( -13.820 -7.979 0.965) 15.987 12.442 ( -17.308 -9.993 -18.777) 27.423 13.316 ( 10.829 6.252 6.241) 13.975 15.161 ( 6.539 3.775 10.252) 12.732======================= Grid point 364 (106/580) =======================q-point: (-0.17 0.06 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.185 ( -26.379 -15.230 -3.853) 30.703 2.509 ( -24.455 -14.119 -2.010) 28.310 4.594 ( -3.071 -1.773 -1.402) 3.814 4.642 ( -42.222 -24.377 3.110) 48.853 5.575 ( -18.295 -10.562 0.823) 21.141 7.121 ( 7.050 4.070 -1.279) 8.241 9.171 ( -0.240 -0.139 -0.409) 0.494 10.451 ( 1.074 0.620 -0.076) 1.242 10.541 ( -13.874 -8.010 0.993) 16.051 11.974 ( -16.147 -9.322 -16.744) 25.060 13.590 ( 11.421 6.594 2.131) 13.359 15.351 ( 6.781 3.915 10.169) 12.835======================= Grid point 365 (107/580) =======================q-point: (-0.11 0.06 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.564 ( -26.608 -15.362 -2.664) 30.840 1.916 ( -26.665 -15.395 -1.912) 30.849 3.616 ( -48.175 -27.814 3.047) 55.711 4.519 ( -2.910 -1.680 -1.827) 3.825 5.168 ( -17.337 -10.009 1.210) 20.055 7.263 ( 5.687 3.283 -0.831) 6.619 9.186 ( 1.721 0.994 -0.063) 1.988 10.237 ( -12.899 -7.447 0.870) 14.920 10.332 ( -12.373 -7.144 -1.079) 14.328 11.694 ( -2.866 -1.655 -12.360) 12.796 13.840 ( 9.910 5.721 0.861) 11.475 15.528 ( 5.798 3.348 8.007) 10.438======================= Grid point 366 (108/580) =======================q-point: (-0.06 0.06 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.976 ( -24.174 -13.957 2.269) 28.005 1.288 ( -27.808 -16.055 -0.470) 32.114 2.481 ( -52.034 -30.042 4.501) 60.252 4.453 ( -2.187 -1.263 -2.048) 3.251 4.809 ( -14.017 -8.093 0.836) 16.207 7.375 ( 4.265 2.462 0.735) 4.979 9.249 ( 3.690 2.130 0.209) 4.266 9.943 ( -18.380 -10.611 -3.442) 21.500 9.962 ( -11.292 -6.520 0.569) 13.052 11.707 ( 4.886 2.821 -10.017) 11.497 14.043 ( 7.402 4.273 1.014) 8.607 15.659 ( 3.707 2.140 3.065) 5.264======================= Grid point 369 (109/580) =======================q-point: ( 0.11 0.11 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.763 ( -0.000 25.903 14.406) 29.639 0.782 ( -0.000 13.770 29.708) 32.744 1.457 ( -0.000 53.752 21.032) 57.721 4.380 ( 0.000 0.859 -3.598) 3.699 4.526 ( 0.000 11.216 -3.333) 11.701 7.657 ( -0.000 -21.710 17.819) 28.087 9.355 ( 0.000 -6.223 0.073) 6.223 9.546 ( 0.000 12.320 -2.451) 12.561 9.732 ( -0.000 10.883 0.474) 10.893 11.269 ( 0.000 35.231 -46.361) 58.228 14.209 ( -0.000 -4.493 3.788) 5.876 15.547 ( 0.000 8.999 -14.025) 16.663======================= Grid point 370 (110/580) =======================q-point: ( 0.17 0.11 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.114 ( 10.562 14.240 24.775) 30.465 1.262 ( 18.261 24.274 10.670) 32.195 2.275 ( 24.522 49.776 12.508) 56.881 4.416 ( 3.570 1.530 -3.361) 5.136 4.685 ( 5.546 13.929 -3.131) 15.316 7.480 ( -5.190 -9.113 6.241) 12.204 9.424 ( -6.578 6.479 -1.305) 9.324 9.542 ( 12.995 -1.299 -0.374) 13.065 10.034 ( 10.749 15.959 0.847) 19.260 11.497 ( 12.163 7.214 -22.675) 26.723 14.133 ( -3.996 -6.833 4.473) 9.092 15.500 ( -6.697 3.287 -12.604) 14.646======================= Grid point 371 (111/580) =======================q-point: ( 0.22 0.11 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.568 ( 16.709 15.362 17.092) 28.413 1.863 ( 19.713 23.843 8.284) 32.027 3.265 ( 33.439 40.588 6.281) 52.963 4.494 ( 3.719 3.274 -2.585) 5.589 4.970 ( 12.249 14.439 -2.592) 19.111 7.338 ( -4.555 -6.099 1.708) 7.801 9.333 ( -11.093 11.951 -1.978) 16.425 9.859 ( 24.297 -5.762 -0.198) 24.971 10.334 ( 6.162 12.433 0.278) 13.879 11.718 ( 14.433 4.766 -5.162) 16.052 13.970 ( -7.846 -8.450 4.711) 12.456 15.330 ( -9.257 0.323 -13.749) 16.578======================= Grid point 372 (112/580) =======================q-point: ( 0.28 0.11 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.087 ( 20.156 15.450 10.259) 27.390 2.449 ( 18.179 23.545 6.252) 30.396 4.220 ( 33.967 31.132 1.063) 46.088 4.586 ( 3.042 5.617 -1.871) 6.656 5.355 ( 16.752 13.479 -1.058) 21.527 7.207 ( -4.705 -5.466 1.059) 7.290 9.281 ( -8.215 12.346 -2.112) 14.979 10.224 ( 22.635 -2.188 -1.041) 22.764 10.471 ( 1.739 2.625 1.056) 3.322 12.081 ( 18.703 10.356 3.915) 21.734 13.734 ( -11.265 -9.120 4.772) 15.259 15.118 ( -8.756 -1.406 -14.898) 17.338======================= Grid point 373 (113/580) =======================q-point: ( 0.33 0.11 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.613 ( 20.716 13.924 4.872) 25.432 2.984 ( 15.264 22.556 4.385) 27.586 4.660 ( 2.340 5.694 -2.047) 6.488 5.056 ( 29.377 23.401 -3.748) 37.745 5.784 ( 18.171 11.962 0.868) 21.772 7.079 ( -4.723 -5.040 2.810) 7.457 9.279 ( -5.517 12.431 -2.059) 13.755 10.456 ( 1.929 -1.071 2.103) 3.048 10.621 ( 19.014 0.703 1.248) 19.068 12.532 ( 18.571 10.694 2.281) 21.551 13.446 ( -13.969 -8.313 6.383) 17.463 14.919 ( -6.075 -2.343 -14.051) 15.486======================= Grid point 374 (114/580) =======================q-point: ( 0.39 0.11 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.087 ( 18.702 11.038 0.754) 21.730 3.439 ( 11.376 20.713 2.756) 23.791 4.737 ( 0.532 6.376 -1.396) 6.549 5.666 ( 21.993 14.395 -9.929) 28.098 6.202 ( 16.879 10.054 1.976) 19.746 6.978 ( -3.357 -3.993 7.076) 8.791 9.319 ( -3.487 12.329 -1.856) 12.946 10.490 ( 3.481 -1.700 7.045) 8.040 10.969 ( 17.341 4.216 0.006) 17.846 12.818 ( 3.433 -0.703 -14.169) 14.596 13.224 ( -5.049 0.897 17.497) 18.233 14.781 ( -2.082 -2.658 -10.601) 11.126======================= Grid point 375 (115/580) =======================q-point: ( 0.44 0.11 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.464 ( 14.781 7.319 -2.115) 16.629 3.796 ( 6.870 18.077 1.546) 19.400 4.795 ( -0.973 6.831 -0.719) 6.937 6.021 ( 12.521 6.796 -14.461) 20.300 6.553 ( 12.981 7.092 0.898) 14.819 6.950 ( 0.080 -2.447 12.717) 12.951 9.384 ( -2.640 12.291 -1.724) 12.689 10.609 ( 8.841 -1.027 9.199) 12.800 11.281 ( 13.079 5.812 -0.340) 14.316 12.553 ( -15.938 -7.436 -13.782) 22.345 13.390 ( 7.462 5.250 10.453) 13.875 14.724 ( 1.514 -2.707 -5.846) 6.618======================= Grid point 376 (116/580) =======================q-point: ( 0.50 0.11 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.719 ( 9.885 3.448 -3.598) 11.071 4.040 ( 2.048 14.896 0.926) 15.065 4.834 ( -2.478 7.176 -0.059) 7.592 6.170 ( 6.415 3.119 -14.178) 15.871 6.767 ( 6.051 2.638 -2.545) 7.074 7.013 ( 3.487 -1.734 16.483) 16.937 9.451 ( -3.317 12.155 -1.838) 12.733 10.816 ( 13.150 -3.281 7.856) 15.665 11.519 ( 8.237 5.620 -0.850) 10.008 12.146 ( -18.920 -2.937 -11.503) 22.336 13.566 ( 5.716 1.680 4.628) 7.544 14.726 ( 3.200 -2.951 -2.127) 4.845======================= Grid point 377 (117/580) =======================q-point: ( 0.56 0.11 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.848 ( 4.768 -0.065 -3.768) 6.078 4.165 ( -3.086 11.577 0.802) 12.008 4.852 ( -3.767 7.352 0.358) 8.269 6.247 ( 5.104 2.602 -11.183) 12.565 6.803 ( -0.037 -1.891 -4.177) 4.585 7.109 ( 2.352 -2.620 16.037) 16.419 9.490 ( -5.040 11.371 -2.108) 12.616 10.957 ( 7.301 -12.615 -1.237) 14.628 11.681 ( 6.776 3.211 -1.219) 7.597 11.844 ( -14.221 9.654 -4.218) 17.698 13.648 ( 2.533 -1.712 2.212) 3.773 14.749 ( 3.338 -3.354 -0.148) 4.735======================= Grid point 378 (118/580) =======================q-point: (-0.39 0.11 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.855 ( -0.814 -3.333 -3.273) 4.741 4.166 ( -8.771 8.454 0.772) 12.207 4.853 ( -4.590 7.132 0.439) 8.492 6.336 ( 6.091 3.078 -8.616) 10.992 6.721 ( -3.723 -4.841 -3.798) 7.191 7.118 ( -3.258 -5.310 14.079) 15.396 9.486 ( -6.793 9.822 -2.354) 12.171 10.782 ( -5.542 -15.474 -11.193) 19.886 11.688 ( -6.359 1.260 0.217) 6.487 11.964 ( 9.518 14.557 1.308) 17.442 13.630 ( -1.850 -4.539 1.290) 5.069 14.775 ( 3.550 -3.339 1.356) 5.059======================= Grid point 379 (119/580) =======================q-point: (-0.33 0.11 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.726 ( -7.482 -6.623 -2.924) 10.411 4.035 ( -14.847 5.542 0.454) 15.855 4.839 ( -5.127 6.401 0.262) 8.206 6.455 ( 7.038 2.811 -12.365) 14.503 6.565 ( -6.547 -6.430 3.638) 9.871 6.973 ( -10.878 -8.564 11.151) 17.777 9.441 ( -7.724 8.221 -2.378) 11.528 10.496 ( -6.534 -10.205 -12.001) 17.055 11.546 ( -10.505 -1.524 1.211) 10.684 12.306 ( 13.820 11.957 -2.228) 18.410 13.500 ( -7.262 -6.778 1.353) 10.026 14.824 ( 4.931 -2.451 3.541) 6.547======================= Grid point 380 (120/580) =======================q-point: (-0.28 0.11 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.445 ( -14.709 -9.567 -2.984) 17.799 3.771 ( -20.698 2.717 -0.139) 20.876 4.805 ( -5.667 5.285 -0.118) 7.750 6.286 ( -11.916 -9.605 -6.158) 16.498 6.612 ( -6.028 -4.198 8.755) 11.428 6.682 ( -4.206 -3.695 0.026) 5.599 9.378 ( -7.772 7.968 -1.982) 11.305 10.312 ( -1.585 -4.795 -9.278) 10.564 11.309 ( -13.214 -6.004 1.466) 14.588 12.611 ( 9.980 9.188 -11.310) 17.662 13.280 ( -9.686 -7.279 5.439) 13.281 14.926 ( 7.050 -0.950 6.059) 9.344======================= Grid point 381 (121/580) =======================q-point: (-0.22 0.11 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.020 ( -21.196 -11.482 -3.087) 24.303 3.385 ( -25.710 0.104 -0.729) 25.721 4.748 ( -6.110 3.983 -0.663) 7.324 5.855 ( -24.836 -14.359 -0.236) 28.689 6.207 ( -19.773 -11.126 3.517) 22.959 6.837 ( 9.123 3.379 -0.873) 9.768 9.326 ( -7.636 9.505 -1.350) 12.267 10.287 ( 4.722 -1.325 -5.320) 7.236 10.994 ( -14.072 -10.929 1.462) 17.877 12.597 ( -12.644 0.093 -19.519) 23.257 13.224 ( 6.361 0.551 9.660) 11.580 15.083 ( 8.679 0.376 7.630) 11.562======================= Grid point 382 (122/580) =======================q-point: (-0.17 0.11 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.487 ( -25.918 -11.876 -2.571) 28.625 2.897 ( -29.563 -1.984 -1.007) 29.646 4.672 ( -6.202 2.674 -1.238) 6.866 5.149 ( -38.574 -17.364 2.387) 42.370 5.789 ( -18.192 -9.799 0.811) 20.679 7.017 ( 8.489 2.831 -0.857) 8.990 9.299 ( -7.233 11.765 -0.827) 13.836 10.383 ( 7.313 -0.021 -1.579) 7.482 10.630 ( -13.094 -16.255 1.023) 20.898 12.203 ( -21.798 -1.468 -15.385) 26.721 13.448 ( 12.098 3.579 3.968) 13.225 15.270 ( 9.103 0.889 7.352) 11.735======================= Grid point 383 (123/580) =======================q-point: (-0.11 0.11 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.902 ( -28.329 -10.366 -0.540) 30.171 2.337 ( -32.162 -3.097 -0.588) 32.316 4.241 ( -47.804 -16.997 3.058) 50.828 4.586 ( -5.740 1.635 -1.850) 6.248 5.390 ( -18.315 -8.079 0.560) 20.025 7.175 ( 7.331 2.152 -0.612) 7.664 9.309 ( -6.147 14.143 -0.360) 15.425 10.237 ( -10.983 -21.530 -0.083) 24.169 10.460 ( -0.321 -0.190 0.185) 0.416 11.816 ( -16.170 2.707 -11.448) 19.997 13.700 ( 11.972 3.149 1.810) 12.511 15.449 ( 8.293 0.273 4.865) 9.619======================= Grid point 384 (124/580) =======================q-point: (-0.06 0.11 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.337 ( -27.921 -6.225 4.741) 28.997 1.745 ( -33.494 -2.434 1.182) 33.603 3.220 ( -54.744 -12.957 4.055) 56.402 4.503 ( -4.574 1.035 -1.986) 5.093 5.017 ( -17.334 -5.100 0.011) 18.069 7.307 ( 6.102 1.370 0.454) 6.270 9.368 ( -4.570 16.396 0.183) 17.022 9.838 ( -8.695 -23.597 -1.545) 25.195 10.325 ( -15.169 1.099 -0.107) 15.209 11.674 ( -2.096 5.209 -8.061) 9.824 13.924 ( 10.393 1.811 1.651) 10.678 15.579 ( 6.394 -1.675 -0.278) 6.615======================= Grid point 388 (125/580) =======================q-point: ( 0.17 0.17 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.275 ( -0.000 17.789 23.932) 29.819 1.388 ( -0.000 28.481 9.776) 30.112 2.663 ( -0.000 55.573 12.268) 56.911 4.383 ( 0.000 2.371 -4.586) 5.163 4.791 ( 0.000 17.291 -2.516) 17.473 7.442 ( -0.000 -10.542 4.567) 11.489 9.240 ( 0.000 -4.966 -1.003) 5.067 9.868 ( 0.000 21.168 -3.731) 21.495 9.985 ( -0.000 13.779 1.572) 13.868 11.370 ( 0.000 4.497 -19.650) 20.158 14.104 ( -0.000 -8.851 4.713) 10.028 15.562 ( 0.000 1.914 -10.283) 10.460======================= Grid point 389 (126/580) =======================q-point: ( 0.22 0.17 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.596 ( 7.225 18.952 19.242) 27.958 1.840 ( 14.601 27.259 7.973) 31.934 3.352 ( 13.134 50.702 7.853) 52.961 4.437 ( 4.488 3.312 -4.276) 7.028 4.995 ( 3.860 18.810 -1.951) 19.301 7.333 ( -2.409 -8.357 1.603) 8.844 9.358 ( 17.398 -5.191 -1.125) 18.191 9.795 ( -16.710 20.039 -2.492) 26.211 10.329 ( 9.078 12.520 0.538) 15.474 11.467 ( 13.977 2.771 -10.862) 17.917 13.993 ( -3.738 -10.242 4.931) 11.966 15.461 ( -8.276 0.379 -10.150) 13.102======================= Grid point 390 (127/580) =======================q-point: ( 0.28 0.17 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.011 ( 12.681 18.568 12.971) 25.958 2.418 ( 17.778 26.667 6.341) 32.671 4.114 ( 19.718 40.584 2.176) 45.173 4.559 ( 5.952 5.490 -3.350) 8.763 5.283 ( 8.881 18.202 -0.378) 20.257 7.214 ( -2.986 -6.991 0.707) 7.635 9.579 ( 0.202 8.256 -1.051) 8.325 9.819 ( 10.145 7.823 -3.273) 13.222 10.476 ( 0.797 1.813 1.408) 2.430 11.824 ( 22.070 8.626 -3.181) 23.908 13.814 ( -7.096 -10.404 5.509) 13.746 15.247 ( -11.617 -0.568 -11.241) 16.175======================= Grid point 391 (128/580) =======================q-point: ( 0.33 0.17 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.467 ( 15.792 16.577 6.986) 23.937 2.992 ( 15.633 26.814 4.785) 31.405 4.656 ( 5.887 10.264 -4.296) 12.588 4.866 ( 20.340 26.186 -2.067) 33.222 5.649 ( 13.127 16.360 1.945) 21.066 7.099 ( -3.226 -6.074 1.917) 7.140 9.581 ( -10.826 17.692 -1.658) 20.807 10.186 ( 24.939 0.538 -3.379) 25.172 10.468 ( -0.265 -3.403 4.539) 5.680 12.292 ( 21.234 9.232 -2.489) 23.287 13.594 ( -9.732 -8.528 7.611) 15.012 15.000 ( -10.764 -1.619 -11.775) 16.036======================= Grid point 392 (129/580) =======================q-point: ( 0.39 0.17 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.908 ( 16.256 13.193 2.042) 21.035 3.502 ( 11.281 26.461 3.268) 28.951 4.792 ( 1.932 9.300 -3.355) 10.074 5.429 ( 19.896 17.388 -7.709) 27.525 6.049 ( 14.470 13.660 3.286) 20.168 7.004 ( -2.611 -4.907 5.079) 7.530 9.579 ( -8.990 17.705 -1.225) 19.894 10.445 ( 1.807 -2.143 5.429) 6.110 10.631 ( 24.008 1.220 -1.725) 24.101 12.640 ( 12.505 2.304 -10.324) 16.379 13.403 ( -8.412 -2.201 13.624) 16.162 14.787 ( -6.691 -2.882 -10.317) 12.630======================= Grid point 393 (130/580) =======================q-point: ( 0.44 0.17 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.284 ( 14.461 8.918 -1.631) 17.068 3.916 ( 6.050 25.080 2.016) 25.878 4.894 ( -0.294 10.521 -2.468) 10.811 5.820 ( 14.347 8.870 -11.813) 20.593 6.412 ( 12.868 9.319 2.817) 16.136 6.958 ( -0.487 -3.720 9.495) 10.209 9.617 ( -6.608 17.570 -0.654) 18.783 10.499 ( 4.680 -2.043 7.554) 9.118 11.036 ( 20.536 3.598 -2.967) 21.059 12.632 ( -5.170 -4.747 -15.309) 16.842 13.410 ( 0.812 4.324 14.304) 14.965 14.655 ( -1.046 -4.279 -6.692) 8.011======================= Grid point 394 (131/580) =======================q-point: ( 0.50 0.17 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.561 ( 11.207 4.474 -3.812) 12.655 4.215 ( 0.651 22.736 1.295) 22.782 4.973 ( -2.405 11.614 -1.406) 11.943 6.030 ( 8.491 4.297 -13.550) 16.558 6.674 ( 8.315 4.479 0.651) 9.467 6.978 ( 2.691 -4.022 13.563) 14.401 9.688 ( -6.018 18.499 -0.902) 19.474 10.607 ( 8.385 -4.702 6.747) 11.744 11.363 ( 14.419 3.374 -3.862) 15.303 12.384 ( -13.211 0.480 -11.704) 17.656 13.522 ( 3.050 1.695 7.747) 8.496 14.614 ( 3.339 -5.608 -2.744) 7.080======================= Grid point 395 (132/580) =======================q-point: ( 0.56 0.17 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.730 ( 7.306 0.631 -4.440) 8.573 4.396 ( -4.561 19.829 1.132) 20.378 5.030 ( -4.637 12.441 -0.440) 13.284 6.137 ( 5.977 2.936 -12.800) 14.429 6.768 ( 1.139 -0.889 -1.908) 2.393 7.058 ( 5.168 -4.883 15.644) 17.184 9.752 ( -7.948 18.728 -1.999) 20.443 10.700 ( 8.103 -10.899 1.965) 13.723 11.559 ( 8.295 0.484 -4.510) 9.454 12.182 ( -12.729 12.088 -5.805) 18.489 13.586 ( 2.648 -2.554 3.846) 5.322 14.623 ( 5.075 -6.657 -0.386) 8.380======================= Grid point 396 (133/580) =======================q-point: (-0.39 0.17 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.795 ( 2.823 -2.339 -4.001) 5.427 4.459 ( -9.776 16.769 1.126) 19.443 5.056 ( -6.748 12.636 0.224) 14.327 6.224 ( 6.041 2.749 -11.865) 13.595 6.715 ( -2.478 -4.993 -1.245) 5.711 7.121 ( 1.767 -6.522 14.410) 15.915 9.759 ( -10.379 15.868 -3.309) 19.248 10.646 ( 0.446 -12.912 -5.386) 13.997 11.662 ( 5.886 -1.699 -1.689) 6.355 12.152 ( -7.761 18.969 -1.815) 20.576 13.588 ( 1.104 -5.749 2.176) 6.246 14.647 ( 5.602 -7.032 0.835) 9.029======================= Grid point 397 (134/580) =======================q-point: (-0.33 0.17 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.748 ( -2.981 -4.736 -3.330) 6.512 4.397 ( -15.430 13.611 0.806) 20.591 5.050 ( -8.276 12.002 0.562) 14.590 6.317 ( 6.492 1.808 -13.693) 15.262 6.598 ( -3.857 -6.658 3.163) 8.319 7.066 ( -5.060 -8.714 12.245) 15.858 9.693 ( -10.592 10.561 -4.156) 15.524 10.473 ( -5.590 -5.951 -8.105) 11.504 11.666 ( -3.374 -3.900 0.794) 5.218 12.281 ( 2.698 17.027 -2.755) 17.458 13.519 ( -2.509 -7.352 1.690) 7.950 14.690 ( 6.746 -6.292 2.186) 9.480======================= Grid point 398 (135/580) =======================q-point: (-0.28 0.17 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.569 ( -10.179 -6.633 -2.874) 12.485 4.202 ( -21.321 10.274 0.192) 23.668 5.014 ( -9.233 10.530 0.477) 14.013 6.297 ( -3.057 -6.569 -13.746) 15.539 6.564 ( 4.190 -0.249 6.190) 7.479 6.850 ( -13.458 -10.534 9.455) 19.532 9.604 ( -8.083 7.815 -3.550) 11.790 10.315 ( -6.608 1.180 -7.301) 9.918 11.477 ( -12.033 -7.277 1.580) 14.151 12.520 ( 8.395 12.885 -7.383) 17.059 13.368 ( -7.085 -7.746 3.228) 10.983 14.778 ( 8.814 -4.554 3.792) 10.621======================= Grid point 399 (136/580) =======================q-point: (-0.22 0.17 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.251 ( -17.553 -7.540 -2.431) 19.258 3.875 ( -26.698 6.892 -0.328) 27.575 4.945 ( -9.715 8.280 -0.035) 12.765 6.039 ( -12.783 -10.315 -6.502) 17.666 6.471 ( -20.652 -10.864 6.775) 24.299 6.709 ( 8.697 1.860 1.449) 9.011 9.564 ( -5.945 10.308 -1.681) 12.018 10.231 ( -2.870 3.279 -5.476) 6.998 11.143 ( -15.721 -12.493 1.539) 20.139 12.697 ( 0.063 9.573 -15.984) 18.631 13.200 ( -3.255 -6.100 9.522) 11.768 14.925 ( 10.655 -2.722 4.613) 11.926======================= Grid point 400 (137/580) =======================q-point: (-0.17 0.17 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.816 ( -23.697 -6.848 -1.429) 24.708 3.430 ( -30.897 3.764 -0.400) 31.128 4.846 ( -9.546 5.512 -0.720) 11.046 5.585 ( -27.188 -11.054 -1.623) 29.394 6.027 ( -20.268 -8.499 2.738) 22.148 6.886 ( 9.217 1.674 0.388) 9.376 9.580 ( -7.007 15.081 -0.371) 16.633 10.251 ( 4.028 1.353 -3.076) 5.246 10.721 ( -16.338 -17.006 1.024) 23.604 12.528 ( -18.679 4.408 -12.845) 23.094 13.283 ( 10.645 -0.415 6.392) 12.423 15.108 ( 11.269 -1.759 3.693) 11.988======================= Grid point 401 (138/580) =======================q-point: (-0.11 0.17 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.315 ( -27.688 -4.079 0.823) 27.999 2.901 ( -33.491 1.420 0.285) 33.522 4.727 ( -8.543 2.724 -1.287) 9.059 4.894 ( -41.034 -8.223 0.886) 41.859 5.640 ( -18.403 -4.875 0.560) 19.046 7.054 ( 8.564 1.162 0.127) 8.643 9.609 ( -8.153 16.783 -0.075) 18.659 10.228 ( -11.416 -17.196 -1.840) 20.722 10.399 ( 3.216 -1.382 0.908) 3.617 12.172 ( -22.475 4.935 -6.370) 23.875 13.510 ( 13.043 0.405 2.629) 13.311 15.286 ( 10.452 -2.130 0.654) 10.687======================= Grid point 402 (139/580) =======================q-point: (-0.06 0.17 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.820 ( -28.727 1.080 5.115) 29.198 2.332 ( -34.184 0.910 2.120) 34.262 4.064 ( -49.695 -1.508 1.814) 49.751 4.608 ( -6.819 0.936 -1.251) 6.995 5.296 ( -18.575 -0.538 -0.525) 18.590 7.200 ( 7.471 0.427 0.457) 7.497 9.593 ( -6.660 -1.163 -0.342) 6.769 9.867 ( -13.061 1.447 -1.284) 13.204 10.459 ( -0.458 -0.037 0.336) 0.569 11.872 ( -16.009 6.068 -1.278) 17.168 13.738 ( 12.565 -0.631 1.881) 12.721 15.415 ( 8.362 -3.786 -4.547) 10.244======================= Grid point 407 (140/580) =======================q-point: ( 0.22 0.22 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.800 ( -0.000 20.816 17.257) 27.039 2.011 ( -0.000 28.329 7.634) 29.340 3.787 ( -0.000 50.944 5.714) 51.263 4.413 ( 0.000 3.844 -4.608) 6.001 5.161 ( 0.000 21.197 -1.312) 21.238 7.271 ( -0.000 -8.648 0.924) 8.697 9.149 ( 0.000 -3.140 -2.106) 3.781 10.265 ( 0.000 19.136 -3.014) 19.372 10.291 ( -0.000 15.626 2.276) 15.791 11.305 ( 0.000 1.317 -10.221) 10.306 13.934 ( -0.000 -11.266 4.852) 12.267 15.499 ( 0.000 -1.565 -8.760) 8.899======================= Grid point 408 (141/580) =======================q-point: ( 0.28 0.22 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.103 ( 4.975 20.721 13.085) 25.006 2.430 ( 12.838 27.133 6.479) 30.708 4.332 ( 6.163 43.733 0.587) 44.169 4.490 ( 5.561 5.005 -4.000) 8.484 5.396 ( 2.476 22.513 0.629) 22.658 7.180 ( -1.319 -7.539 0.720) 7.687 9.265 ( 16.608 -2.935 -2.257) 17.016 10.207 ( -16.828 22.346 -2.039) 28.048 10.490 ( 0.266 2.225 2.086) 3.061 11.512 ( 20.427 8.285 -6.825) 23.076 13.811 ( -3.106 -11.004 5.191) 12.558 15.377 ( -7.892 -2.306 -8.784) 12.032======================= Grid point 409 (142/580) =======================q-point: ( 0.33 0.22 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.456 ( 8.918 18.816 7.853) 22.254 2.983 ( 17.503 26.113 5.194) 31.863 4.637 ( 6.701 7.870 -4.312) 11.200 4.856 ( 10.974 30.440 -4.555) 32.677 5.697 ( 5.375 23.108 3.564) 23.991 7.088 ( -1.913 -6.147 1.875) 6.705 9.589 ( 22.559 -1.640 -1.412) 22.663 10.139 ( -13.698 20.161 -3.498) 24.624 10.470 ( -1.293 -2.061 4.158) 4.818 11.979 ( 23.416 8.851 -5.738) 25.682 13.658 ( -5.212 -8.822 6.796) 12.296 15.149 ( -11.800 -2.428 -9.071) 15.081======================= Grid point 410 (143/580) =======================q-point: ( 0.39 0.22 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.819 ( 11.271 15.325 2.822) 19.232 3.548 ( 15.862 25.839 3.888) 30.568 4.815 ( 5.317 9.736 -4.619) 12.016 5.286 ( 13.793 18.043 -7.798) 24.013 6.042 ( 7.146 20.788 4.598) 22.458 7.011 ( -1.965 -4.506 4.367) 6.576 9.864 ( 0.892 7.914 2.779) 8.435 10.223 ( 14.881 5.496 -5.556) 16.809 10.470 ( -1.092 3.792 3.904) 5.551 12.375 ( 17.381 3.045 -9.134) 19.870 13.529 ( -5.023 -3.959 10.483) 12.280 14.888 ( -11.514 -2.817 -8.597) 14.643======================= Grid point 411 (144/580) =======================q-point: ( 0.44 0.22 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.150 ( 11.599 10.821 -1.200) 15.908 4.044 ( 10.686 25.626 2.670) 27.893 4.973 ( 2.729 11.524 -4.692) 12.738 5.632 ( 13.904 9.450 -9.014) 19.075 6.357 ( 7.301 14.194 3.693) 16.383 6.966 ( -1.262 -2.939 7.433) 8.092 9.892 ( -5.892 10.666 4.654) 13.044 10.490 ( 0.697 5.424 2.666) 6.084 10.649 ( 23.841 2.864 -5.458) 24.625 12.538 ( 5.763 -2.261 -13.156) 14.540 13.502 ( -1.506 1.365 13.102) 13.258 14.661 ( -7.498 -4.080 -6.666) 10.830======================= Grid point 412 (145/580) =======================q-point: ( 0.50 0.22 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.414 ( 10.234 6.123 -3.743) 12.500 4.429 ( 4.077 24.791 1.810) 25.189 5.106 ( 0.579 12.677 -3.865) 13.266 5.879 ( 10.090 5.493 -10.351) 15.464 6.595 ( 7.120 6.679 3.246) 10.288 6.954 ( -0.178 -3.335 9.666) 10.227 9.949 ( -2.830 12.814 4.744) 13.954 10.532 ( -1.064 2.954 1.274) 3.389 11.063 ( 21.854 2.227 -5.819) 22.725 12.493 ( -3.155 1.135 -11.804) 12.271 13.551 ( -0.323 1.395 10.070) 10.171 14.516 ( -1.264 -6.380 -3.483) 7.378======================= Grid point 413 (146/580) =======================q-point: ( 0.56 0.22 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.595 ( 7.893 2.105 -4.633) 9.391 4.683 ( -2.504 22.946 1.457) 23.128 5.218 ( -1.629 13.912 -2.333) 14.200 6.025 ( 6.179 4.065 -11.307) 13.512 6.737 ( 2.721 1.560 0.575) 3.189 6.965 ( 3.465 -6.587 12.939) 14.927 10.062 ( -4.193 17.705 1.831) 18.286 10.516 ( 1.374 -6.558 0.100) 6.701 11.369 ( 13.480 1.856 -6.075) 14.902 12.436 ( -5.552 10.769 -7.431) 14.214 13.562 ( -1.121 -2.171 5.923) 6.407 14.460 ( 3.915 -8.789 -0.658) 9.645======================= Grid point 414 (147/580) =======================q-point: ( 0.61 0.22 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.696 ( 4.923 -0.759 -4.252) 6.549 4.809 ( -8.264 20.226 1.335) 21.890 5.303 ( -4.912 15.187 -0.585) 15.972 6.113 ( 5.078 3.040 -11.905) 13.295 6.713 ( -3.064 -3.676 -0.475) 4.809 7.029 ( 5.764 -8.169 13.764) 17.012 10.093 ( -11.857 13.971 -4.625) 18.899 10.496 ( 5.006 -6.422 1.208) 8.232 11.531 ( 6.824 0.782 -5.112) 8.562 12.464 ( -6.533 17.991 -3.494) 19.456 13.521 ( -0.252 -6.307 3.324) 7.134 14.459 ( 6.489 -10.046 0.765) 11.983======================= Grid point 415 (148/580) =======================q-point: (-0.33 0.22 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.717 ( 0.789 -2.624 -3.403) 4.369 4.809 ( -13.740 16.988 0.949) 21.870 5.340 ( -8.603 15.455 0.863) 17.709 6.183 ( 5.295 1.272 -13.351) 14.419 6.600 ( -3.460 -6.537 2.224) 7.723 7.052 ( 1.181 -9.192 11.851) 15.044 9.928 ( -11.544 1.161 -6.824) 13.460 10.544 ( -2.291 8.175 -0.478) 8.503 11.598 ( 3.759 -3.493 -2.862) 5.875 12.515 ( -7.667 18.578 -2.229) 20.221 13.461 ( 0.534 -8.130 2.019) 8.394 14.489 ( 8.099 -9.508 1.570) 12.588======================= Grid point 416 (149/580) =======================q-point: (-0.28 0.22 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.640 ( -5.142 -3.716 -2.656) 6.878 4.676 ( -19.523 13.096 0.290) 23.510 5.318 ( -11.403 13.898 1.345) 18.028 6.199 ( 2.094 -3.645 -14.449) 15.048 6.525 ( 0.669 -3.921 5.594) 6.864 6.953 ( -6.285 -9.650 9.442) 14.892 9.737 ( -6.778 -1.859 -5.034) 8.645 10.547 ( -10.661 15.797 -2.776) 19.259 11.535 ( -3.846 -9.694 -0.763) 10.457 12.578 ( -2.112 14.894 -4.089) 15.588 13.382 ( -2.122 -7.320 2.253) 7.947 14.567 ( 10.065 -7.265 2.262) 12.618======================= Grid point 417 (150/580) =======================q-point: (-0.22 0.22 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.445 ( -12.309 -3.782 -1.953) 13.024 4.401 ( -25.069 8.577 -0.169) 26.496 5.233 ( -12.782 10.071 0.645) 16.286 6.074 ( -5.091 -6.835 -9.203) 12.543 6.588 ( 5.875 -0.531 1.530) 6.094 6.711 ( -14.004 -8.580 8.433) 18.462 9.652 ( -0.710 0.424 -1.726) 1.914 10.483 ( -14.212 17.268 -3.671) 22.664 11.265 ( -12.748 -14.589 0.212) 19.375 12.710 ( 3.845 11.555 -8.666) 14.946 13.253 ( -6.071 -6.619 5.529) 10.547 14.706 ( 11.866 -4.526 2.238) 12.896======================= Grid point 418 (151/580) =======================q-point: (-0.17 0.22 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.138 ( -19.182 -2.332 -0.849) 19.341 3.993 ( -29.536 3.989 -0.096) 29.804 5.088 ( -12.481 4.724 -0.498) 13.354 5.839 ( -13.676 -4.174 -4.982) 15.142 6.329 ( -20.805 -6.206 3.101) 21.931 6.745 ( 8.669 0.359 2.728) 9.096 9.701 ( 3.376 3.477 1.220) 4.997 10.395 ( -12.420 14.463 -3.267) 19.342 10.848 ( -16.991 -16.104 0.053) 23.410 12.793 ( -6.853 10.159 -12.982) 17.852 13.150 ( 2.463 -6.328 10.551) 12.547 14.887 ( 12.484 -2.779 0.726) 12.810======================= Grid point 419 (152/580) =======================q-point: (-0.11 0.22 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.753 ( -24.357 0.899 1.092) 24.398 3.482 ( -32.314 0.438 0.658) 32.324 4.906 ( -10.796 0.080 -1.259) 10.869 5.454 ( -28.432 0.316 -2.309) 28.527 5.939 ( -19.933 -1.141 1.452) 20.018 6.910 ( 9.151 0.178 1.587) 9.289 9.779 ( -0.156 -0.258 1.575) 1.604 10.345 ( -4.730 8.149 -1.673) 9.570 10.427 ( -16.251 -6.571 -0.063) 17.530 12.586 ( -20.142 6.578 -3.513) 21.478 13.286 ( 12.683 -2.959 4.037) 13.635 15.067 ( 11.601 -2.609 -2.568) 12.165======================= Grid point 420 (153/580) =======================q-point: (-0.06 0.22 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.351 ( -26.871 5.705 4.083) 27.772 2.921 ( -32.963 -0.389 2.216) 33.040 4.721 ( -10.053 -1.463 -1.915) 10.337 4.882 ( -39.083 6.002 -0.135) 39.541 5.633 ( -18.603 4.180 -0.056) 19.067 7.066 ( 8.456 -0.434 1.246) 8.559 9.604 ( -8.516 -16.605 -0.620) 18.672 10.236 ( -14.160 19.253 -1.177) 23.928 10.404 ( 5.293 0.387 1.633) 5.552 12.279 ( -22.055 6.440 3.495) 23.240 13.498 ( 13.882 -3.162 1.803) 14.351 15.201 ( 9.417 -3.744 -7.465) 12.587======================= Grid point 426 (154/580) =======================q-point: ( 0.28 0.28 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.313 ( -0.000 20.916 10.796) 23.538 2.604 ( -0.000 26.688 6.133) 27.383 4.472 ( 0.000 4.954 -3.815) 6.253 4.699 ( 0.000 38.777 -3.873) 38.970 5.623 ( -0.000 25.944 2.687) 26.082 7.122 ( -0.000 -6.707 1.322) 6.836 9.089 ( 0.000 -1.136 -2.817) 3.038 10.491 ( -0.000 2.953 1.981) 3.556 10.625 ( -0.000 16.378 2.375) 16.549 11.358 ( 0.000 11.224 -9.573) 14.752 13.748 ( -0.000 -10.195 5.058) 11.381 15.387 ( 0.000 -3.902 -7.979) 8.882======================= Grid point 427 (155/580) =======================q-point: ( 0.33 0.28 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.572 ( 3.170 19.380 6.983) 20.842 2.989 ( 11.974 24.996 5.245) 28.208 4.566 ( 6.093 5.647 -3.289) 8.935 5.031 ( 2.185 28.305 -8.889) 29.748 5.918 ( 1.142 28.299 4.865) 28.737 7.063 ( -0.868 -4.822 2.831) 5.658 9.213 ( 15.700 -0.660 -2.754) 15.953 10.466 ( -4.726 -6.391 6.417) 10.216 10.630 ( -13.045 21.384 -1.746) 25.109 11.665 ( 20.103 10.672 -8.464) 24.283 13.657 ( -2.053 -7.642 5.797) 9.809 15.255 ( -7.048 -4.228 -7.694) 11.258======================= Grid point 428 (156/580) =======================q-point: ( 0.39 0.28 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.843 ( 5.675 16.324 2.649) 17.484 3.506 ( 17.697 23.195 4.196) 29.476 4.756 ( 9.293 7.273 -3.389) 12.278 5.279 ( 4.561 17.713 -10.454) 21.067 6.228 ( 1.110 25.758 4.469) 26.166 7.021 ( -1.495 -2.120 5.175) 5.789 9.557 ( 24.511 -0.309 -1.605) 24.565 10.295 ( -8.163 -4.760 6.586) 11.518 10.666 ( -7.578 20.497 -3.039) 22.063 12.060 ( 19.293 4.031 -8.710) 21.548 13.581 ( -2.457 -3.633 7.648) 8.816 15.030 ( -11.016 -3.882 -7.120) 13.679======================= Grid point 429 (157/580) =======================q-point: ( 0.44 0.28 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.099 ( 7.234 12.151 -1.102) 14.184 4.048 ( 17.224 21.940 3.145) 28.070 4.980 ( 7.770 10.095 -4.670) 13.568 5.490 ( 8.882 9.194 -8.590) 15.401 6.469 ( 0.301 17.487 2.782) 17.709 7.007 ( -2.168 1.178 7.288) 7.695 9.942 ( 13.627 -1.186 7.191) 15.454 10.242 ( 10.535 -0.787 -1.196) 10.632 10.724 ( -7.504 18.701 -4.424) 20.630 12.321 ( 12.879 -0.575 -10.069) 16.358 13.563 ( -0.897 -0.327 9.510) 9.558 14.773 ( -11.557 -3.767 -5.841) 13.486======================= Grid point 430 (158/580) =======================q-point: ( 0.50 0.28 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.316 ( 7.514 7.644 -3.538) 11.288 4.528 ( 12.466 21.192 2.337) 24.697 5.173 ( 3.924 12.052 -5.908) 13.984 5.713 ( 11.810 4.793 -6.548) 14.329 6.609 ( 0.977 7.514 3.254) 8.247 7.006 ( -3.631 2.408 7.227) 8.438 10.031 ( 1.635 -1.160 12.030) 12.196 10.634 ( 27.438 2.478 -6.227) 28.245 10.727 ( -9.686 14.566 -5.864) 18.449 12.445 ( 5.945 1.955 -9.848) 11.669 13.592 ( 0.260 -0.449 9.326) 9.341 14.536 ( -8.874 -4.882 -3.841) 10.832======================= Grid point 431 (159/580) =======================q-point: ( 0.56 0.28 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.481 ( 6.766 3.704 -4.395) 8.877 4.896 ( 5.096 20.702 2.029) 21.416 5.322 ( 2.445 11.819 -5.407) 13.225 5.921 ( 8.687 5.203 -7.073) 12.352 6.697 ( 3.621 0.093 5.096) 6.253 6.963 ( -4.965 -0.945 6.315) 8.089 10.140 ( 6.609 1.546 10.620) 12.603 10.615 ( -11.776 5.341 -8.016) 15.214 11.087 ( 21.110 6.110 -5.500) 22.654 12.534 ( 2.210 9.511 -7.776) 12.483 13.598 ( -1.698 -2.586 7.204) 7.841 14.357 ( -3.339 -7.877 -1.472) 8.681======================= Grid point 432 (160/580) =======================q-point: ( 0.61 0.28 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.593 ( 5.344 0.915 -3.992) 6.733 5.115 ( -3.269 19.067 1.658) 19.416 5.467 ( 2.255 12.398 -3.069) 12.969 6.050 ( 3.170 5.783 -8.836) 11.026 6.742 ( -1.237 -1.725 1.039) 2.363 6.893 ( 1.647 -8.536 10.704) 13.790 10.350 ( 10.515 1.965 8.026) 13.374 10.385 ( -14.270 1.713 -7.972) 16.435 11.409 ( 10.493 7.102 -6.078) 14.053 12.666 ( 0.826 15.731 -4.904) 16.498 13.523 ( -4.688 -5.116 4.556) 8.301 14.260 ( 3.227 -11.258 0.524) 11.723======================= Grid point 433 (161/580) =======================q-point: (-0.33 0.28 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.655 ( 3.047 -0.679 -3.064) 4.374 5.179 ( -9.564 15.603 0.828) 18.320 5.607 ( -2.137 15.043 0.560) 15.204 6.093 ( 1.211 2.704 -10.887) 11.283 6.624 ( -6.123 -4.961 0.295) 7.886 6.928 ( 6.285 -10.263 10.947) 16.268 10.090 ( -13.240 -4.507 -6.477) 15.413 10.611 ( 8.477 9.566 4.844) 13.669 11.539 ( 0.721 4.329 -6.223) 7.614 12.807 ( -3.967 17.884 -2.253) 18.457 13.394 ( -2.947 -8.060 2.325) 8.891 14.246 ( 8.021 -11.779 1.484) 14.328======================= Grid point 434 (162/580) =======================q-point: (-0.28 0.28 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.657 ( -0.834 -1.280 -2.218) 2.693 5.102 ( -15.313 11.235 0.092) 18.993 5.666 ( -10.233 15.770 2.976) 19.033 6.079 ( 2.141 -3.037 -12.331) 12.878 6.501 ( -1.826 -4.899 2.706) 5.887 6.934 ( 1.239 -9.025 8.046) 12.154 9.828 ( -9.958 -3.548 -3.504) 11.137 10.830 ( 0.693 15.177 1.234) 15.243 11.485 ( -4.400 -4.672 -4.891) 8.069 12.830 ( -10.247 13.601 -1.509) 17.096 13.317 ( 1.741 -6.778 1.512) 7.159 14.312 ( 10.943 -8.670 1.551) 14.047======================= Grid point 435 (163/580) =======================q-point: (-0.22 0.28 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.578 ( -6.509 -0.847 -1.525) 6.739 4.873 ( -21.187 5.766 -0.259) 21.959 5.569 ( -15.208 7.906 0.710) 17.155 6.039 ( 0.166 -1.734 -7.765) 7.958 6.497 ( 3.831 -1.992 2.471) 4.975 6.836 ( -6.316 -6.717 5.538) 10.756 9.677 ( -4.251 -0.598 0.258) 4.300 10.916 ( -11.740 20.461 -1.851) 23.663 11.270 ( -7.059 -15.661 -2.687) 17.387 12.784 ( -4.361 7.537 -3.536) 9.398 13.286 ( -1.596 -3.669 3.283) 5.175 14.455 ( 12.505 -4.340 0.790) 13.261======================= Grid point 436 (164/580) =======================q-point: (-0.17 0.28 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.406 ( -13.021 0.885 -0.655) 13.068 4.494 ( -26.097 0.175 -0.094) 26.098 5.340 ( -14.380 -0.981 -1.466) 14.488 5.985 ( -6.277 4.256 -3.782) 8.474 6.551 ( -3.119 -1.544 -2.631) 4.363 6.662 ( -3.909 -2.560 7.736) 9.037 9.670 ( 1.512 1.552 3.507) 4.123 10.786 ( -18.410 3.438 -1.355) 18.778 10.981 ( -11.471 -2.396 -3.029) 12.104 12.831 ( 4.340 4.844 -6.908) 9.488 13.195 ( -7.151 -3.022 7.321) 10.670 14.646 ( 12.678 -1.538 -1.034) 12.813======================= Grid point 437 (165/580) =======================q-point: (-0.11 0.28 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.155 ( -18.847 3.967 0.699) 19.272 3.999 ( -29.245 -3.555 0.561) 29.465 5.075 ( -11.965 -4.789 -1.751) 13.006 5.855 ( -15.569 8.006 -3.510) 17.855 6.291 ( -19.113 1.657 -0.195) 19.186 6.763 ( 8.436 -0.846 4.269) 9.493 9.732 ( 1.809 -2.725 3.948) 5.127 10.443 ( -11.401 -11.196 1.535) 16.052 10.807 ( -17.016 16.038 -3.811) 23.691 12.913 ( -5.406 9.250 -10.585) 15.061 13.082 ( 2.061 -8.191 13.119) 15.603 14.836 ( 11.553 -0.908 -4.129) 12.302======================= Grid point 438 (166/580) =======================q-point: (-0.06 0.28 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.859 ( -22.756 7.983 2.551) 24.251 3.452 ( -30.175 -3.462 1.706) 30.421 4.840 ( -9.062 -4.604 -1.339) 10.252 5.553 ( -28.784 10.495 -4.214) 30.926 6.009 ( -18.445 6.934 0.620) 19.715 6.916 ( 8.769 -1.214 3.225) 9.422 9.588 ( -8.242 -14.837 0.220) 16.975 10.334 ( 2.830 0.288 4.934) 5.695 10.682 ( -15.674 17.898 -2.579) 23.931 12.727 ( -19.745 7.420 3.815) 21.436 13.216 ( 14.197 -6.364 2.303) 15.728 14.982 ( 9.332 -1.865 -8.372) 12.675======================= Grid point 445 (167/580) =======================q-point: ( 0.33 0.33 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.755 ( -0.000 18.157 4.662) 18.746 3.139 ( -0.000 23.473 4.664) 23.931 4.555 ( 0.000 5.483 -2.516) 6.033 5.227 ( 0.000 21.080 -11.826) 24.171 6.218 ( -0.000 29.427 4.614) 29.786 7.049 ( -0.000 -1.798 4.818) 5.142 9.066 ( 0.000 0.693 -2.914) 2.995 10.461 ( -0.000 -7.362 8.233) 11.045 10.960 ( -0.000 15.766 1.965) 15.888 11.542 ( 0.000 12.566 -12.559) 17.766 13.629 ( -0.000 -4.791 5.470) 7.271 15.243 ( 0.000 -5.285 -7.068) 8.825======================= Grid point 446 (168/580) =======================q-point: ( 0.39 0.33 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.949 ( 1.725 15.622 1.491) 15.787 3.478 ( 11.513 21.069 3.825) 24.312 4.663 ( 6.805 5.813 -2.024) 9.176 5.365 ( 0.583 14.406 -12.036) 18.782 6.494 ( -0.796 23.644 2.208) 23.760 7.069 ( -1.064 3.690 7.437) 8.370 9.200 ( 15.109 1.115 -2.545) 15.363 10.365 ( -5.127 -8.836 10.246) 14.469 11.015 ( -9.080 18.576 -2.056) 20.778 11.769 ( 15.438 5.826 -10.138) 19.366 13.608 ( -1.079 -1.213 5.788) 6.011 15.113 ( -6.103 -5.180 -6.350) 10.218======================= Grid point 447 (169/580) =======================q-point: ( 0.44 0.33 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.129 ( 3.124 12.156 -1.454) 12.635 3.945 ( 17.942 18.499 2.984) 25.943 4.877 ( 11.312 6.876 -2.418) 13.457 5.463 ( 2.078 9.069 -9.773) 13.493 6.653 ( -2.072 12.696 0.542) 12.875 7.133 ( -3.157 10.108 8.283) 13.444 9.557 ( 24.699 1.203 -1.027) 24.750 10.219 ( -5.030 -7.357 9.416) 12.965 11.044 ( -8.465 18.938 -5.165) 21.377 12.039 ( 15.649 0.581 -7.911) 17.544 13.608 ( -1.279 0.957 6.242) 6.444 14.905 ( -9.914 -4.415 -5.169) 12.020======================= Grid point 448 (170/580) =======================q-point: ( 0.50 0.33 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.284 ( 4.144 8.307 -3.294) 9.851 4.446 ( 18.620 16.271 2.277) 24.832 5.144 ( 10.752 9.397 -4.327) 14.921 5.568 ( 6.324 4.344 -5.774) 9.603 6.697 ( -2.441 4.423 1.725) 5.338 7.184 ( -6.549 10.763 6.125) 14.009 9.965 ( 13.513 -1.888 10.250) 17.065 10.203 ( 14.542 -1.740 -2.639) 14.881 11.038 ( -10.225 15.436 -6.567) 19.646 12.271 ( 13.169 2.286 -6.658) 14.932 13.616 ( -1.078 -0.138 6.363) 6.455 14.664 ( -11.395 -3.832 -3.596) 12.548======================= Grid point 449 (171/580) =======================q-point: ( 0.56 0.33 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.412 ( 4.560 4.806 -3.754) 7.615 4.899 ( 15.288 14.523 1.991) 21.180 5.360 ( 4.201 10.896 -6.421) 13.327 5.753 ( 12.916 2.760 -2.669) 13.475 6.686 ( -1.467 -1.300 4.099) 4.544 7.146 ( -10.066 6.773 3.444) 12.612 10.065 ( 4.363 -2.854 11.945) 13.033 10.590 ( 20.999 -0.896 -7.914) 22.458 10.982 ( -5.832 13.065 -4.868) 15.113 12.501 ( 9.863 8.949 -6.140) 14.665 13.602 ( -0.956 -3.895 6.151) 7.342 14.422 ( -10.905 -4.440 -1.988) 11.941======================= Grid point 450 (172/580) =======================q-point: ( 0.61 0.33 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.511 ( 4.425 2.228 -3.158) 5.875 5.259 ( 8.724 14.012 2.753) 16.734 5.480 ( 2.825 7.773 -6.015) 10.226 6.002 ( 10.010 6.951 -4.410) 12.960 6.663 ( 1.965 -7.026 6.702) 9.907 7.002 ( -12.291 1.562 1.739) 12.511 10.203 ( 9.569 -0.650 8.443) 12.778 10.579 ( -10.067 -2.303 -7.673) 12.866 11.246 ( 16.485 11.035 -3.292) 20.108 12.738 ( 6.084 14.850 -5.557) 16.983 13.545 ( -1.622 -7.211 5.456) 9.186 14.197 ( -7.749 -7.122 -0.562) 10.540======================= Grid point 451 (173/580) =======================q-point: ( 0.67 0.33 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.587 ( 3.689 0.776 -2.174) 4.351 5.434 ( -4.081 11.324 1.188) 12.096 5.640 ( 9.517 6.811 -2.330) 11.933 6.147 ( -1.356 9.245 -6.442) 11.349 6.669 ( 3.590 -7.905 4.125) 9.612 6.798 ( -7.859 -5.353 4.352) 10.457 10.270 ( -12.646 -1.727 -2.718) 13.049 10.475 ( 12.198 0.319 2.668) 12.491 11.553 ( 6.978 9.514 -3.934) 12.438 12.953 ( 3.153 15.132 -3.358) 15.818 13.434 ( -5.666 -6.243 3.137) 8.995 14.040 ( 0.784 -10.635 0.869) 10.699======================= Grid point 452 (174/580) =======================q-point: (-0.28 0.33 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.635 ( 1.879 0.377 -1.366) 2.353 5.402 ( -9.485 5.944 -0.172) 11.195 5.861 ( 7.398 7.507 0.354) 10.545 6.090 ( -10.530 4.155 -4.567) 12.207 6.538 ( -7.566 -2.779 -1.505) 8.200 6.791 ( 7.650 -8.820 6.564) 13.394 10.004 ( -13.842 -0.592 -0.714) 13.873 10.747 ( 15.430 1.416 0.258) 15.497 11.614 ( -7.181 5.742 -3.591) 9.871 13.105 ( -2.445 11.792 0.095) 12.043 13.254 ( -6.205 -6.500 0.084) 8.987 14.047 ( 10.091 -7.706 1.164) 12.750======================= Grid point 453 (175/580) =======================q-point: (-0.22 0.33 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.643 ( -1.561 0.978 -0.874) 2.039 5.218 ( -15.492 -0.020 -0.411) 15.497 5.847 ( -12.304 -6.589 -5.623) 15.047 6.043 ( 0.349 12.169 4.018) 12.820 6.444 ( -0.180 -1.885 -0.335) 1.923 6.830 ( 2.046 -4.421 2.409) 5.434 9.811 ( -9.750 2.412 3.070) 10.502 10.981 ( 11.197 -2.780 -3.786) 12.142 11.429 ( -16.686 3.864 -1.422) 17.186 12.969 ( -12.521 0.139 -1.722) 12.640 13.259 ( 3.387 0.141 2.681) 4.322 14.210 ( 12.676 -1.098 -0.011) 12.724======================= Grid point 454 (176/580) =======================q-point: (-0.17 0.33 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.590 ( -6.529 2.636 -0.456) 7.056 4.872 ( -21.020 -5.754 -0.292) 21.795 5.525 ( -13.524 -8.952 -3.457) 16.583 6.144 ( -3.881 12.112 0.822) 12.745 6.476 ( 4.887 -1.413 1.649) 5.348 6.782 ( -5.199 -0.709 0.522) 5.273 9.741 ( -4.661 4.453 6.288) 9.005 10.898 ( -7.845 -18.636 -3.598) 20.537 11.274 ( -10.800 16.102 -2.127) 19.505 12.798 ( -3.133 -4.046 -2.661) 5.768 13.295 ( -2.014 1.653 4.406) 5.118 14.430 ( 12.024 2.340 -1.627) 12.357======================= Grid point 455 (177/580) =======================q-point: (-0.11 0.33 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.468 ( -12.052 5.267 0.170) 13.154 4.404 ( -24.638 -8.644 0.146) 26.111 5.204 ( -11.905 -9.290 -2.212) 15.262 6.148 ( -9.033 11.702 -3.486) 15.189 6.538 ( -2.764 2.030 -1.236) 3.645 6.685 ( -2.433 0.310 5.479) 6.003 9.742 ( -2.826 0.388 6.603) 7.193 10.525 ( -11.683 -13.672 0.670) 17.996 11.221 ( -13.601 15.101 -3.864) 20.687 12.778 ( 7.727 -6.255 -3.716) 10.613 13.248 ( -8.367 3.243 6.322) 10.977 14.641 ( 10.367 2.740 -3.949) 11.427======================= Grid point 456 (178/580) =======================q-point: (-0.06 0.33 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.289 ( -16.853 8.421 1.033) 18.868 3.887 ( -25.945 -7.066 0.904) 26.905 4.933 ( -9.107 -7.341 -1.282) 11.767 6.030 ( -16.567 11.498 -7.303) 21.447 6.384 ( -15.921 7.550 -0.782) 17.637 6.777 ( 7.276 -1.335 7.300) 10.393 9.605 ( -8.677 -11.401 1.731) 14.432 10.354 ( -2.103 0.994 6.570) 6.970 11.096 ( -15.175 13.462 -2.792) 20.477 12.887 ( 13.303 -6.311 -6.359) 16.039 13.121 ( -13.600 4.122 10.336) 17.572 14.802 ( 8.060 1.360 -7.129) 10.846======================= Grid point 464 (179/580) =======================q-point: ( 0.39 0.39 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.084 ( -0.000 13.573 -0.298) 13.576 3.583 ( -0.000 18.613 2.980) 18.850 4.651 ( 0.000 5.388 -1.090) 5.497 5.443 ( 0.000 10.398 -11.469) 15.481 6.694 ( 0.000 13.844 -0.470) 13.852 7.191 ( -0.000 13.038 9.131) 15.917 9.075 ( 0.000 1.902 -2.372) 3.040 10.361 ( -0.000 -9.009 11.766) 14.819 11.265 ( -0.000 13.650 1.298) 13.712 11.640 ( 0.000 6.219 -13.061) 14.466 13.638 ( -0.000 1.745 4.730) 5.041 15.090 ( 0.000 -5.616 -5.651) 7.967======================= Grid point 465 (180/580) =======================q-point: ( 0.44 0.39 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.207 ( 0.696 10.819 -2.028) 11.030 3.863 ( 11.347 15.613 2.190) 19.425 4.764 ( 7.243 5.285 -0.815) 9.003 5.496 ( 0.264 7.244 -9.172) 11.690 6.773 ( -1.381 6.031 -0.484) 6.206 7.353 ( -2.767 16.807 7.491) 18.607 9.219 ( 14.872 2.085 -1.761) 15.121 10.269 ( -4.825 -8.376 11.778) 15.236 11.324 ( -6.477 14.105 -3.164) 15.841 11.775 ( 12.507 1.961 -7.962) 14.955 13.669 ( -1.219 3.278 4.049) 5.350 14.973 ( -5.205 -5.009 -4.600) 8.564======================= Grid point 466 (181/580) =======================q-point: ( 0.50 0.39 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.309 ( 1.403 7.821 -2.898) 8.458 4.270 ( 18.245 12.623 1.636) 22.246 4.989 ( 12.867 5.612 -1.501) 14.118 5.540 ( 1.122 4.704 -5.876) 7.610 6.778 ( -2.641 2.246 0.551) 3.510 7.449 ( -6.771 14.074 4.683) 16.305 9.587 ( 25.065 2.172 -0.358) 25.161 10.143 ( -4.265 -6.760 9.370) 12.317 11.314 ( -8.423 11.900 -5.837) 15.704 12.017 ( 15.887 1.967 -4.059) 16.514 13.678 ( -2.744 2.240 3.542) 5.009 14.793 ( -8.856 -3.812 -3.238) 10.171======================= Grid point 467 (182/580) =======================q-point: ( 0.56 0.39 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.393 ( 2.177 5.011 -2.676) 6.083 4.716 ( 19.555 9.771 1.274) 21.897 5.287 ( 14.195 7.537 -3.531) 16.455 5.600 ( 4.517 1.706 -1.815) 5.158 6.735 ( -3.709 -0.552 1.712) 4.122 7.424 ( -10.965 9.163 2.111) 14.445 10.014 ( 8.309 -1.277 12.583) 15.132 10.138 ( 20.323 -1.660 -5.967) 21.246 11.228 ( -10.450 8.082 -4.950) 14.108 12.327 ( 16.843 6.029 -3.230) 18.179 13.636 ( -4.317 -1.194 3.306) 5.567 14.579 ( -11.257 -2.768 -1.916) 11.750======================= Grid point 468 (183/580) =======================q-point: ( 0.61 0.39 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.466 ( 2.804 2.804 -1.735) 4.328 5.122 ( 17.527 6.899 1.082) 18.867 5.512 ( 2.805 8.133 -4.309) 9.622 5.787 ( 16.989 1.316 0.027) 17.040 6.653 ( -4.328 -3.645 3.017) 6.412 7.274 ( -14.466 4.320 0.147) 15.098 10.081 ( 5.518 -2.572 6.960) 9.247 10.523 ( 14.944 -0.572 -4.536) 15.627 11.159 ( -0.103 7.011 -1.451) 7.160 12.677 ( 15.234 10.770 -3.799) 19.039 13.530 ( -4.939 -6.226 3.568) 8.711 14.341 ( -12.839 -2.495 -0.991) 13.117======================= Grid point 469 (184/580) =======================q-point: ( 0.67 0.39 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.534 ( 3.146 1.477 -0.682) 3.541 5.458 ( 15.172 3.538 0.257) 15.582 5.569 ( -1.486 5.014 -0.428) 5.247 6.119 ( 15.385 6.726 -3.830) 17.222 6.541 ( -2.975 -8.249 5.074) 10.131 7.029 ( -16.362 0.682 -0.992) 16.406 10.227 ( 11.971 -1.879 2.232) 12.321 10.499 ( -10.884 -0.125 -2.043) 11.074 11.409 ( 16.485 5.467 0.240) 17.369 13.009 ( 9.002 14.952 -4.727) 18.082 13.388 ( -1.637 -11.718 4.436) 12.635 14.090 ( -12.562 -2.853 -0.481) 12.891======================= Grid point 470 (185/580) =======================q-point: (-0.28 0.39 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.598 ( 2.922 1.118 0.019) 3.128 5.537 ( -3.262 -1.072 -1.638) 3.804 5.729 ( 10.766 2.189 2.651) 11.302 6.299 ( -6.086 7.755 -3.294) 10.394 6.514 ( 12.065 -8.300 3.013) 14.951 6.749 ( -14.531 -1.015 -0.741) 14.586 10.268 ( -14.563 1.451 1.201) 14.685 10.454 ( 15.366 -1.469 -1.526) 15.511 11.669 ( 6.815 2.175 0.484) 7.170 13.159 ( -1.661 4.303 -0.900) 4.699 13.332 ( 1.183 -4.167 0.783) 4.402 13.912 ( -2.634 -0.608 -0.049) 2.704======================= Grid point 471 (186/580) =======================q-point: (-0.22 0.39 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.652 ( 1.613 1.688 0.238) 2.347 5.394 ( -9.053 -6.405 -0.770) 11.116 5.830 ( 0.399 -7.431 -2.154) 7.747 6.230 ( -3.939 5.112 8.337) 10.543 6.511 ( -9.134 2.648 -4.961) 10.726 6.705 ( 9.024 -1.099 -0.825) 9.128 10.068 ( -13.401 5.214 5.372) 15.350 10.681 ( 14.980 -5.607 -5.910) 17.052 11.668 ( -6.841 -0.345 1.355) 6.983 13.111 ( -5.760 -9.287 -0.100) 10.929 13.253 ( -2.770 3.990 0.766) 4.917 14.029 ( 9.991 6.176 -0.591) 11.761======================= Grid point 472 (187/580) =======================q-point: (-0.17 0.39 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.682 ( -1.183 3.102 0.145) 3.323 5.093 ( -15.028 -11.642 -0.581) 19.019 5.607 ( -10.118 -12.636 -2.991) 16.462 6.337 ( 0.809 9.309 11.904) 15.133 6.415 ( -2.439 1.505 -5.214) 5.950 6.804 ( 2.500 2.200 -4.050) 5.243 9.954 ( -10.118 7.030 8.510) 14.974 10.743 ( 4.269 -13.822 -7.015) 16.078 11.544 ( -7.742 5.284 0.652) 9.396 12.838 ( -9.999 -11.229 -1.316) 15.093 13.325 ( 2.427 4.133 2.615) 5.460 14.281 ( 10.479 8.019 -1.377) 13.267======================= Grid point 473 (188/580) =======================q-point: (-0.11 0.39 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.669 ( -5.312 5.186 0.009) 7.424 4.668 ( -19.076 -13.461 -0.312) 23.350 5.286 ( -11.016 -12.250 -1.843) 16.578 6.361 ( -5.180 7.916 -8.792) 12.915 6.510 ( 4.630 2.918 13.937) 14.973 6.806 ( -3.963 4.046 -4.438) 7.195 9.878 ( -8.760 0.899 8.071) 11.945 10.559 ( -5.655 -10.111 -1.270) 11.655 11.512 ( -6.731 9.662 -2.812) 12.107 12.607 ( -0.850 -13.040 -1.857) 13.199 13.391 ( -1.751 5.049 3.387) 6.327 14.516 ( 8.609 7.081 -2.552) 11.436======================= Grid point 474 (189/580) =======================q-point: (-0.06 0.39 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.600 ( -10.018 7.520 -0.046) 12.527 4.201 ( -20.668 -10.601 0.174) 23.229 4.999 ( -8.851 -9.582 -1.002) 13.083 6.300 ( -7.371 7.563 -11.853) 15.875 6.634 ( -2.165 5.343 8.628) 10.376 6.748 ( -3.529 3.046 2.459) 5.271 9.672 ( -10.790 -10.727 2.477) 15.415 10.462 ( -3.863 5.178 7.238) 9.702 11.431 ( -11.887 8.425 -2.829) 14.842 12.559 ( 10.749 -12.601 -4.129) 17.070 13.381 ( -7.348 5.852 4.763) 10.532 14.691 ( 6.205 4.812 -4.437) 9.019======================= Grid point 483 (190/580) =======================q-point: ( 0.44 0.44 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.293 ( 0.000 8.727 -2.382) 9.046 3.907 ( -0.000 12.515 1.287) 12.581 4.747 ( -0.000 4.548 -0.055) 4.549 5.529 ( 0.000 5.351 -7.055) 8.855 6.827 ( 0.000 3.039 -0.442) 3.071 7.571 ( -0.000 16.507 5.210) 17.310 9.104 ( 0.000 2.172 -1.316) 2.540 10.274 ( -0.000 -8.073 12.217) 14.643 11.508 ( -0.000 10.080 0.612) 10.099 11.640 ( 0.000 2.660 -10.063) 10.408 13.732 ( -0.000 4.436 2.645) 5.165 14.954 ( 0.000 -4.741 -3.763) 6.053======================= Grid point 484 (191/580) =======================q-point: ( 0.50 0.44 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.361 ( 0.083 6.458 -2.094) 6.789 4.119 ( 11.445 9.325 0.736) 14.781 4.853 ( 7.418 3.850 -0.158) 8.359 5.556 ( 0.203 3.883 -4.253) 5.763 6.834 ( -1.611 1.429 -0.156) 2.159 7.694 ( -4.296 12.622 2.711) 13.605 9.253 ( 14.988 2.031 -0.666) 15.140 10.193 ( -4.576 -7.010 10.690) 13.578 11.517 ( -5.845 7.955 -4.400) 10.808 11.776 ( 12.329 2.366 -2.879) 12.879 13.763 ( -2.234 3.627 1.701) 4.587 14.861 ( -4.487 -3.576 -2.639) 6.315======================= Grid point 485 (192/580) =======================q-point: ( 0.56 0.44 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.412 ( 0.439 4.285 -1.096) 4.445 4.464 ( 18.585 6.241 0.474) 19.611 5.071 ( 13.985 3.349 -0.897) 14.409 5.585 ( 0.563 2.527 -1.299) 2.897 6.799 ( -3.334 0.080 0.187) 3.340 7.687 ( -8.886 7.605 0.483) 11.706 9.627 ( 25.700 1.791 -0.363) 25.765 10.081 ( -4.241 -5.415 8.100) 10.626 11.447 ( -8.716 5.551 -3.503) 10.911 12.057 ( 17.815 3.078 -1.233) 18.121 13.731 ( -5.075 1.292 1.064) 5.344 14.718 ( -8.122 -2.032 -1.532) 8.511======================= Grid point 486 (193/580) =======================q-point: ( 0.61 0.44 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.456 ( 1.168 2.420 0.203) 2.694 4.848 ( 19.924 3.013 0.283) 20.153 5.385 ( 18.442 4.057 -2.192) 19.010 5.619 ( 1.792 0.390 1.868) 2.618 6.722 ( -5.095 -1.132 0.427) 5.237 7.549 ( -12.905 2.937 -1.271) 13.296 10.007 ( 2.903 -4.790 -0.533) 5.626 10.131 ( 25.574 2.269 5.197) 26.195 11.317 ( -9.939 3.476 -0.714) 10.554 12.421 ( 20.578 3.859 -1.152) 20.969 13.621 ( -7.973 -1.445 0.625) 8.127 14.534 ( -11.250 -0.729 -0.790) 11.301======================= Grid point 487 (194/580) =======================q-point: (-0.33 -0.56 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.504 ( 2.073 1.146 1.273) 2.689 5.187 ( 17.844 -0.533 -0.166) 17.852 5.620 ( 0.493 3.429 1.738) 3.876 5.793 ( 21.930 -0.799 -0.162) 21.945 6.607 ( -6.807 -1.772 0.315) 7.041 7.307 ( -15.648 -0.386 -2.399) 15.835 10.034 ( 6.739 -4.023 -1.713) 8.033 10.541 ( 12.369 3.027 3.081) 13.101 11.242 ( 1.913 1.102 2.395) 3.257 12.808 ( 20.676 2.402 -0.800) 20.830 13.443 ( -10.020 -2.414 0.015) 10.306 14.314 ( -13.741 0.376 -0.528) 13.756======================= Grid point 488 (195/580) =======================q-point: (-0.28 -0.56 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.560 ( 2.890 0.718 1.795) 3.477 5.418 ( 11.213 -5.636 -2.135) 12.730 5.655 ( 1.744 0.015 6.557) 6.785 6.158 ( 20.540 -2.158 -1.055) 20.680 6.468 ( -7.704 0.846 -1.165) 7.838 7.011 ( -16.141 -1.248 -2.733) 16.419 10.140 ( 11.519 -4.486 -5.484) 13.523 10.583 ( -10.394 6.138 5.561) 13.290 11.444 ( 16.890 -3.405 3.443) 17.570 13.100 ( 12.334 -11.990 3.490) 17.551 13.293 ( -4.883 8.670 -4.221) 10.809 14.090 ( -12.888 3.278 -0.485) 13.307======================= Grid point 489 (196/580) =======================q-point: (-0.22 -0.56 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.628 ( 3.172 1.196 1.731) 3.806 5.399 ( -1.884 -11.193 -1.522) 11.452 5.720 ( 3.899 -6.500 4.712) 8.925 6.293 ( 0.542 -7.286 7.623) 10.559 6.514 ( 9.817 8.649 -9.447) 16.137 6.746 ( -12.816 1.526 -1.907) 13.047 10.267 ( 7.150 -1.853 -4.944) 8.888 10.474 ( -7.401 3.250 4.725) 9.363 11.632 ( 7.833 -6.643 3.383) 10.813 13.035 ( 0.576 -13.901 4.157) 14.521 13.351 ( -2.492 4.954 -4.576) 7.190 14.027 ( -0.318 10.617 -0.401) 10.629======================= Grid point 490 (197/580) =======================q-point: (-0.17 0.44 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.700 ( 2.359 2.421 1.223) 3.594 5.160 ( -9.195 -15.887 -0.704) 18.370 5.607 ( -5.674 -13.682 0.243) 14.814 6.319 ( 3.920 -2.068 10.109) 11.038 6.588 ( -6.959 7.694 -4.394) 11.266 6.731 ( 7.131 5.104 -5.963) 10.604 10.256 ( -11.927 7.457 9.100) 16.753 10.465 ( 9.565 -10.448 -8.715) 16.631 11.632 ( -0.632 -3.430 2.509) 4.296 12.854 ( -6.734 -16.443 1.680) 17.848 13.350 ( 0.194 6.283 -1.482) 6.459 14.224 ( 7.472 12.085 -0.604) 14.221======================= Grid point 491 (198/580) =======================q-point: (-0.11 0.44 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.758 ( 0.108 4.093 0.475) 4.122 4.792 ( -13.485 -17.245 -0.452) 21.896 5.326 ( -9.340 -14.186 -0.666) 16.997 6.379 ( 1.716 -1.314 0.711) 2.275 6.608 ( -1.151 9.212 6.992) 11.622 6.841 ( 2.386 4.947 -7.532) 9.322 10.074 ( -12.859 -6.982 6.376) 15.961 10.510 ( 4.330 0.851 -2.861) 5.259 11.623 ( -0.403 3.108 -0.470) 3.169 12.539 ( -8.562 -17.598 -0.302) 19.573 13.446 ( 2.196 6.385 0.738) 6.792 14.462 ( 7.154 10.021 -0.976) 12.351======================= Grid point 492 (199/580) =======================q-point: (-0.06 0.44 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.780 ( -3.497 5.776 -0.357) 6.762 4.386 ( -15.044 -13.787 -0.140) 20.407 5.040 ( -8.322 -11.379 -0.505) 14.106 6.368 ( -1.247 1.514 -8.349) 8.577 6.730 ( 0.955 6.141 14.859) 16.107 6.861 ( -2.864 5.065 -6.951) 9.065 9.758 ( -11.862 -13.851 1.655) 18.311 10.615 ( -0.570 11.715 5.814) 13.091 11.632 ( -4.584 4.890 -2.575) 7.180 12.280 ( 1.485 -17.876 -2.914) 18.173 13.522 ( -1.333 5.855 1.959) 6.316 14.647 ( 4.925 7.065 -1.809) 8.800======================= Grid point 502 (200/580) =======================q-point: ( 0.50 0.50 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.411 ( 0.000 4.707 -0.758) 4.768 4.095 ( -0.000 6.120 0.116) 6.121 4.821 ( -0.000 2.621 0.080) 2.622 5.578 ( 0.000 2.958 -1.861) 3.495 6.858 ( 0.000 0.834 -0.499) 0.972 7.846 ( -0.000 8.797 0.544) 8.814 9.137 ( -0.000 1.499 0.037) 1.499 10.205 ( -0.000 -6.518 9.801) 11.771 11.636 ( 0.000 2.425 -4.922) 5.487 11.664 ( -0.000 5.334 0.022) 5.334 13.822 ( -0.000 3.075 0.562) 3.126 14.861 ( 0.000 -2.532 -1.764) 3.086======================= Grid point 503 (201/580) =======================q-point: ( 0.56 0.50 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.447 ( -0.221 2.862 0.892) 3.006 4.243 ( 11.574 2.999 -0.160) 11.957 4.905 ( 7.541 1.388 -0.259) 7.672 5.602 ( 0.113 2.109 0.699) 2.225 6.845 ( -1.884 0.218 -0.635) 2.000 7.865 ( -5.020 3.952 -1.457) 6.553 9.283 ( 15.068 0.955 0.466) 15.105 10.134 ( -4.226 -5.225 7.479) 10.054 11.603 ( -4.941 3.724 -1.509) 6.368 11.813 ( 11.840 1.651 -0.495) 11.964 13.819 ( -3.094 1.230 -0.222) 3.337 14.803 ( -4.112 -0.909 -0.862) 4.298======================= Grid point 504 (202/580) =======================q-point: (-0.39 -0.50 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.469 ( 0.049 1.055 2.393) 2.616 4.523 ( 18.686 -0.270 -0.357) 18.691 5.104 ( 14.736 0.354 -0.571) 14.751 5.628 ( 0.122 1.242 3.146) 3.385 6.793 ( -3.847 -0.305 -0.821) 3.946 7.747 ( -9.433 -0.693 -3.078) 9.947 9.640 ( 24.289 -0.218 -1.160) 24.317 10.045 ( -2.420 -3.077 6.337) 7.448 11.513 ( -8.860 2.209 1.269) 9.219 12.092 ( 18.891 0.555 -0.087) 18.900 13.738 ( -6.307 -0.665 -0.929) 6.409 14.697 ( -7.962 0.644 -0.252) 7.992======================= Grid point 505 (203/580) =======================q-point: (-0.33 -0.50 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.490 ( 1.011 -0.425 3.321) 3.498 4.839 ( 19.904 -3.792 -0.489) 20.268 5.405 ( 20.528 -1.264 -0.418) 20.571 5.651 ( -0.076 0.568 5.104) 5.136 6.704 ( -5.637 -0.346 -1.371) 5.812 7.519 ( -12.585 -4.138 -4.177) 13.891 9.892 ( 5.859 -3.704 -6.386) 9.425 10.222 ( 23.068 1.377 8.700) 24.692 11.365 ( -10.239 0.179 3.884) 10.953 12.440 ( 21.293 -1.686 0.753) 21.373 13.594 ( -8.596 -0.803 -1.945) 8.850 14.542 ( -11.458 1.830 -0.058) 11.603======================= Grid point 506 (204/580) =======================q-point: (-0.28 -0.50 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.523 ( 2.465 -1.148 3.530) 4.457 5.102 ( 16.874 -7.769 -0.676) 18.589 5.635 ( 3.239 -6.373 7.555) 10.401 5.782 ( 18.439 1.364 -0.622) 18.500 6.593 ( -6.413 1.097 -2.711) 7.049 7.226 ( -13.691 -5.347 -4.494) 15.370 9.926 ( 6.485 -3.028 -7.268) 10.201 10.655 ( 16.172 3.802 7.513) 18.233 11.232 ( -1.918 -5.014 5.397) 7.613 12.747 ( 17.466 -7.752 2.886) 19.326 13.449 ( -7.049 3.281 -4.117) 8.798 14.351 ( -13.209 3.563 -0.048) 13.682======================= Grid point 507 (205/580) =======================q-point: (-0.22 -0.50 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.578 ( 3.923 -0.858 3.136) 5.095 5.218 ( 7.944 -13.559 -1.089) 15.752 5.623 ( 1.612 -8.585 7.746) 11.675 6.082 ( 15.371 -3.813 2.695) 16.065 6.523 ( -2.263 5.635 -6.208) 8.684 6.945 ( -11.637 -3.121 -3.720) 12.609 10.016 ( 10.427 -2.595 -9.232) 14.166 10.756 ( -10.906 4.561 9.207) 14.984 11.330 ( 17.300 -9.982 4.466) 20.466 12.854 ( 6.094 -13.398 5.349) 15.661 13.418 ( -1.372 6.053 -6.582) 9.047 14.206 ( -8.507 8.103 0.305) 11.752======================= Grid point 508 (206/580) =======================q-point: (-0.17 -0.50 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.660 ( 4.683 0.309 2.331) 5.240 5.090 ( -2.757 -18.851 -0.549) 19.059 5.540 ( -1.952 -13.755 3.629) 14.359 6.239 ( 6.796 -3.760 9.356) 12.160 6.610 ( 6.203 7.827 -12.195) 15.763 6.770 ( -6.123 1.365 -0.534) 6.296 10.153 ( 12.091 -3.979 -10.435) 16.459 10.569 ( -14.401 -0.782 9.428) 17.231 11.512 ( 10.401 -5.959 3.641) 12.528 12.772 ( -1.665 -14.545 4.792) 15.405 13.415 ( -1.767 4.525 -5.548) 7.374 14.261 ( 2.092 12.018 0.582) 12.213======================= Grid point 509 (207/580) =======================q-point: (-0.11 -0.50 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.754 ( 4.119 1.905 1.257) 4.709 4.791 ( -8.197 -20.284 -0.223) 21.879 5.319 ( -6.763 -15.203 0.774) 16.658 6.334 ( 3.534 -1.883 8.179) 9.107 6.702 ( 0.851 6.874 -7.926) 10.526 6.797 ( 4.564 3.777 -0.921) 5.996 10.123 ( -4.636 -17.187 -2.888) 18.034 10.486 ( 2.409 8.766 1.537) 9.220 11.609 ( 4.126 -0.025 2.308) 4.728 12.527 ( -9.544 -16.799 2.052) 19.430 13.461 ( 2.658 5.565 -2.154) 6.533 14.455 ( 5.637 10.804 0.416) 12.193======================= Grid point 510 (208/580) =======================q-point: (-0.06 0.50 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1467Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.837 ( 1.934 3.350 -0.000) 3.869 4.446 ( -9.675 -16.758 -0.000) 19.351 5.054 ( -7.264 -12.581 -0.000) 14.528 6.367 ( -0.032 -0.055 -0.000) 0.063 6.786 ( 2.925 5.066 0.000) 5.850 6.893 ( 2.136 3.699 -0.000) 4.271 9.796 ( -9.907 -17.160 -0.000) 19.814 10.700 ( 7.376 12.776 -0.000) 14.752 11.681 ( 1.805 3.127 0.000) 3.611 12.172 ( -10.544 -18.262 -0.000) 21.088 13.565 ( 2.805 4.858 0.000) 5.610 14.638 ( 4.497 7.789 -0.000) 8.994======================= Grid point 522 (209/580) =======================q-point: (-0.44 -0.44 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.475 ( -0.000 0.985 2.892) 3.055 4.153 ( 0.000 -0.101 -0.484) 0.494 4.845 ( 0.000 -0.128 -0.428) 0.447 5.626 ( -0.000 1.516 3.118) 3.467 6.860 ( 0.000 0.024 -1.071) 1.071 7.917 ( 0.000 -0.764 -3.419) 3.503 9.160 ( -0.000 0.217 1.429) 1.445 10.149 ( -0.000 -4.351 5.507) 7.018 11.676 ( -0.000 2.916 1.196) 3.152 11.715 ( 0.000 -0.098 -0.491) 0.501 13.849 ( 0.000 -0.436 -1.062) 1.148 14.836 ( 0.000 0.768 -0.119) 0.777======================= Grid point 523 (210/580) =======================q-point: (-0.39 -0.44 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.484 ( -0.274 -1.159 4.350) 4.510 4.236 ( 11.492 -3.380 -0.756) 12.003 4.902 ( 7.781 -1.326 -0.521) 7.910 5.652 ( -0.028 0.852 5.563) 5.628 6.838 ( -2.018 -0.287 -1.439) 2.495 7.827 ( -4.909 -5.537 -5.091) 8.982 9.294 ( 14.607 -0.562 1.458) 14.690 10.091 ( -3.617 -2.699 3.322) 5.604 11.653 ( -4.837 -0.070 3.072) 5.730 11.823 ( 11.770 0.114 0.754) 11.795 13.802 ( -3.188 -2.286 -1.846) 4.335 14.817 ( -4.211 2.419 0.405) 4.873======================= Grid point 524 (211/580) =======================q-point: (-0.33 -0.44 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.477 ( 0.285 -3.219 4.930) 5.894 4.447 ( 18.495 -6.941 -1.027) 19.781 5.079 ( 14.906 -2.458 -0.118) 15.108 5.678 ( -0.201 0.030 7.644) 7.647 6.777 ( -3.887 -0.420 -2.005) 4.393 7.616 ( -8.443 -9.278 -6.314) 14.044 9.608 ( 20.360 -1.560 -1.876) 20.505 10.044 ( 1.438 -0.729 4.172) 4.473 11.539 ( -8.368 -2.796 5.113) 10.197 12.088 ( 17.888 -0.695 1.978) 18.011 13.690 ( -5.556 -2.917 -2.877) 6.903 14.740 ( -8.438 3.509 0.576) 9.157======================= Grid point 525 (212/580) =======================q-point: (-0.28 -0.44 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.472 ( 1.974 -4.582 4.673) 6.836 4.692 ( 19.677 -10.598 -0.939) 22.369 5.337 ( 17.982 -5.543 1.172) 18.854 5.703 ( 0.880 -0.176 8.291) 8.340 6.688 ( -5.052 0.058 -2.896) 5.824 7.331 ( -9.966 -10.889 -6.852) 16.273 9.793 ( 5.371 -0.873 -8.261) 9.892 10.290 ( 23.984 -0.439 8.172) 25.342 11.351 ( -10.531 -6.306 6.706) 13.987 12.397 ( 17.884 -2.824 3.650) 18.469 13.555 ( -5.651 -1.263 -4.541) 7.359 14.605 ( -11.715 4.340 0.589) 12.507======================= Grid point 526 (213/580) =======================q-point: (-0.22 -0.44 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.493 ( 4.379 -4.730 3.863) 7.514 4.871 ( 15.180 -15.152 -0.650) 21.458 5.492 ( 6.856 -11.572 5.802) 14.649 5.828 ( 11.487 0.925 4.841) 12.500 6.599 ( -4.152 1.362 -4.131) 6.013 7.043 ( -8.612 -8.914 -6.432) 13.964 9.838 ( 5.176 0.229 -9.628) 10.934 10.756 ( 24.244 0.403 7.787) 25.467 11.105 ( -9.388 -12.254 6.729) 16.840 12.627 ( 10.968 -5.524 5.990) 13.664 13.465 ( -2.288 1.252 -7.027) 7.496 14.453 ( -11.361 6.273 0.995) 13.015======================= Grid point 527 (214/580) =======================q-point: (-0.17 -0.44 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.557 ( 6.582 -3.644 2.798) 8.027 4.871 ( 5.390 -20.777 -0.424) 21.469 5.435 ( 0.114 -13.967 5.260) 14.925 6.067 ( 12.636 -1.443 6.709) 14.379 6.573 ( 1.220 3.326 -6.499) 7.402 6.844 ( -4.688 -3.780 -4.977) 7.813 9.917 ( 7.888 -0.848 -10.487) 13.150 10.780 ( -12.658 -10.528 7.560) 18.117 11.198 ( 21.334 -4.179 4.979) 22.303 12.691 ( 0.904 -6.429 7.076) 9.603 13.435 ( -0.025 0.736 -8.290) 8.323 14.393 ( -4.440 9.558 1.919) 10.712======================= Grid point 528 (215/580) =======================q-point: (-0.11 -0.44 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.661 ( 7.583 -1.856 1.627) 7.974 4.667 ( -2.260 -23.111 -0.123) 23.222 5.266 ( -4.096 -15.096 2.151) 15.789 6.258 ( 7.907 -1.767 11.048) 13.701 6.651 ( 5.341 4.962 -12.839) 14.764 6.779 ( 0.947 -0.655 0.397) 1.218 9.959 ( 3.392 -9.860 -7.550) 12.873 10.541 ( -4.025 -4.808 2.023) 6.589 11.476 ( 12.527 -1.626 4.173) 13.304 12.572 ( -9.190 -7.814 5.000) 13.058 13.438 ( 2.984 1.228 -5.545) 6.415 14.491 ( 2.399 10.168 2.207) 10.678======================= Grid point 541 (216/580) =======================q-point: (-0.39 -0.39 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.479 ( -0.000 -3.966 5.537) 6.811 4.082 ( 0.000 -6.650 -1.104) 6.741 4.814 ( 0.000 -2.455 -0.585) 2.524 5.682 ( -0.000 0.218 8.181) 8.184 6.845 ( 0.000 -0.598 -1.838) 1.933 7.768 ( 0.000 -10.663 -7.008) 12.760 9.164 ( -0.000 -1.117 2.602) 2.831 10.114 ( -0.000 -1.183 0.987) 1.540 11.653 ( 0.000 -5.570 -1.010) 5.661 11.765 ( -0.000 2.985 7.612) 8.176 13.788 ( 0.000 -4.261 -2.700) 5.044 14.889 ( -0.000 4.202 0.901) 4.298======================= Grid point 542 (217/580) =======================q-point: (-0.33 -0.39 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.443 ( 0.037 -6.885 5.653) 8.909 4.095 ( 11.336 -10.158 -1.499) 15.295 4.853 ( 7.959 -3.196 -0.150) 8.578 5.709 ( -0.271 -0.883 10.476) 10.516 6.813 ( -1.969 -0.930 -2.226) 3.114 7.578 ( -3.947 -14.817 -8.539) 17.551 9.283 ( 13.827 -1.606 2.231) 14.098 10.079 ( -3.101 0.693 -0.339) 3.195 11.584 ( -1.336 -8.686 1.567) 8.926 11.883 ( 7.921 2.856 7.934) 11.569 13.707 ( -2.509 -5.188 -3.766) 6.885 14.900 ( -4.717 5.346 1.080) 7.211======================= Grid point 543 (218/580) =======================q-point: (-0.28 -0.39 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.391 ( 1.442 -9.163 4.861) 10.473 4.235 ( 18.379 -13.585 -1.585) 22.910 5.011 ( 14.153 -4.434 0.685) 14.847 5.723 ( -0.450 -2.587 11.673) 11.964 6.747 ( -3.523 -1.271 -2.539) 4.525 7.302 ( -5.839 -16.507 -9.495) 19.918 9.569 ( 17.959 -0.824 -1.749) 18.063 10.069 ( 3.078 1.262 1.833) 3.798 11.427 ( -6.012 -12.345 4.649) 14.496 12.132 ( 14.186 2.248 7.518) 16.212 13.588 ( -3.625 -4.388 -5.255) 7.746 14.839 ( -9.238 5.749 1.099) 10.936======================= Grid point 544 (219/580) =======================q-point: (-0.22 -0.39 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.358 ( 4.397 -10.037 3.600) 11.534 4.409 ( 19.110 -17.195 -1.135) 25.732 5.212 ( 13.958 -8.044 2.194) 16.259 5.738 ( 2.541 -3.344 10.508) 11.316 6.652 ( -3.922 -3.114 -2.492) 5.593 7.021 ( -5.049 -12.905 -9.608) 16.863 9.755 ( 4.738 2.838 -8.424) 10.072 10.315 ( 23.290 -1.878 6.524) 24.260 11.171 ( -9.156 -16.446 5.899) 19.726 12.425 ( 13.376 1.757 8.469) 15.928 13.474 ( -2.767 -2.767 -7.499) 8.459 14.717 ( -11.650 6.174 1.502) 13.270======================= Grid point 545 (220/580) =======================q-point: (-0.17 -0.39 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.377 ( 7.992 -9.222 2.275) 12.414 4.498 ( 13.005 -21.938 -0.673) 25.512 5.281 ( 4.601 -12.929 4.309) 14.384 5.860 ( 11.364 -2.456 7.478) 13.823 6.550 ( -0.383 -6.429 -2.015) 6.748 6.838 ( -3.043 -3.834 -8.903) 10.160 9.805 ( 2.468 2.714 -9.422) 10.111 10.734 ( 19.321 -9.627 3.704) 21.903 10.871 ( -2.502 -12.428 7.179) 14.569 12.649 ( 6.063 2.103 9.897) 11.796 13.388 ( -0.504 -3.047 -10.368) 10.818 14.605 ( -9.159 7.647 2.837) 12.265======================= Grid point 546 (221/580) =======================q-point: (-0.11 -0.39 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.464 ( 10.762 -7.199 1.093) 12.993 4.406 ( 4.651 -25.358 -0.449) 25.785 5.177 ( -1.462 -14.233 2.961) 14.611 6.084 ( 13.564 -3.031 8.580) 16.333 6.541 ( 6.629 -4.543 -1.516) 8.178 6.759 ( -1.693 1.083 -8.660) 8.890 9.815 ( 1.384 -4.464 -7.458) 8.802 10.527 ( -4.789 -13.467 0.147) 14.294 11.175 ( 20.621 -3.779 4.946) 21.540 12.712 ( -6.048 2.847 8.688) 10.961 13.335 ( 3.721 -4.524 -10.135) 11.706 14.598 ( -2.734 8.959 4.269) 10.294======================= Grid point 560 (222/580) =======================q-point: (-0.33 -0.33 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.374 ( -0.000 -10.764 5.362) 12.025 3.872 ( 0.000 -13.578 -2.010) 13.726 4.750 ( -0.000 -3.638 0.172) 3.642 5.735 ( -0.000 -2.597 12.855) 13.115 6.810 ( 0.000 -1.677 -2.152) 2.729 7.408 ( 0.000 -19.204 -10.547) 21.910 9.153 ( -0.000 -1.944 3.353) 3.875 10.125 ( 0.000 2.944 -2.196) 3.673 11.485 ( 0.000 -10.402 -1.576) 10.521 11.884 ( -0.000 1.177 13.543) 13.594 13.656 ( 0.000 -6.021 -4.826) 7.716 15.006 ( -0.000 6.684 1.262) 6.802======================= Grid point 561 (223/580) =======================q-point: (-0.28 -0.33 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.273 ( 0.846 -14.008 4.167) 14.639 3.815 ( 11.457 -16.777 -2.229) 20.438 4.782 ( 7.735 -4.142 0.865) 8.816 5.737 ( -0.558 -5.619 13.896) 14.999 6.761 ( -1.855 -4.439 -1.694) 5.101 7.152 ( -2.157 -18.995 -11.968) 22.554 9.266 ( 13.532 -1.720 2.734) 13.912 10.121 ( -3.312 4.682 -2.478) 6.248 11.357 ( -1.560 -14.367 0.138) 14.452 12.001 ( 7.791 0.471 13.895) 15.937 13.566 ( -1.740 -4.831 -6.081) 7.959 15.034 ( -5.365 7.120 1.229) 8.999======================= Grid point 562 (224/580) =======================q-point: (-0.22 -0.33 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.171 ( 3.646 -15.766 2.516) 16.377 3.894 ( 18.456 -19.611 -1.849) 26.993 4.919 ( 12.418 -5.627 1.611) 13.728 5.701 ( 0.031 -9.175 12.808) 15.755 6.620 ( -2.554 -15.600 -2.711) 16.038 6.937 ( -2.303 -6.703 -10.374) 12.564 9.558 ( 18.474 0.511 -0.728) 18.495 10.124 ( 1.006 3.874 -0.121) 4.004 11.128 ( -5.880 -19.710 2.813) 20.759 12.246 ( 13.871 0.844 12.371) 18.605 13.466 ( -2.843 -2.548 -7.694) 8.589 14.975 ( -9.887 6.912 1.513) 12.158======================= Grid point 563 (225/580) =======================q-point: (-0.17 -0.33 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.120 ( 8.212 -15.470 0.944) 17.540 4.002 ( 17.980 -23.023 -1.250) 29.239 5.056 ( 9.578 -9.275 2.657) 13.595 5.682 ( 6.177 -10.183 9.515) 15.244 6.401 ( 1.264 -20.125 -3.716) 20.504 6.854 ( -2.859 2.794 -7.184) 8.221 9.784 ( 4.270 4.697 -6.705) 9.233 10.314 ( 19.216 -1.695 4.414) 19.789 10.811 ( -6.959 -21.878 3.514) 23.226 12.542 ( 13.840 1.194 11.623) 18.113 13.361 ( -3.935 -1.433 -10.194) 11.021 14.864 ( -11.034 6.982 2.920) 13.380======================= Grid point 564 (226/580) =======================q-point: (-0.11 -0.33 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.160 ( 12.889 -13.326 -0.248) 18.541 4.007 ( 11.447 -26.651 -1.026) 29.023 5.052 ( 1.948 -12.408 2.880) 12.886 5.802 ( 15.154 -9.279 6.789) 19.022 6.299 ( 9.000 -15.211 -1.633) 17.749 6.818 ( -3.822 5.449 -6.460) 9.275 9.780 ( -3.254 -1.992 -5.456) 6.658 10.456 ( -2.797 -13.073 -1.168) 13.420 10.762 ( 22.825 -5.893 5.050) 24.109 12.796 ( 8.321 2.673 12.050) 14.886 13.223 ( -4.484 -3.627 -14.035) 15.174 14.787 ( -7.418 7.777 5.424) 12.038======================= Grid point 579 (227/580) =======================q-point: (-0.28 -0.28 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.117 ( -0.000 -18.149 2.908) 18.381 3.523 ( 0.000 -19.879 -2.730) 20.066 4.678 ( -0.000 -4.121 1.414) 4.357 5.713 ( -0.000 -10.393 14.294) 17.673 6.671 ( 0.000 -18.154 -3.030) 18.405 6.978 ( 0.000 -8.035 -10.959) 13.589 9.137 ( -0.000 -1.917 3.551) 4.036 10.206 ( 0.000 7.104 -3.292) 7.830 11.229 ( 0.000 -14.002 -2.116) 14.161 11.956 ( -0.000 -5.813 17.573) 18.510 13.522 ( 0.000 -2.348 -6.715) 7.114 15.160 ( -0.000 7.820 1.019) 7.886======================= Grid point 580 (228/580) =======================q-point: (-0.22 -0.28 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.945 ( 2.111 -20.793 1.128) 20.930 3.410 ( 11.931 -22.331 -2.514) 25.443 4.705 ( 7.035 -4.578 1.979) 8.624 5.621 ( -0.213 -16.778 12.259) 20.780 6.404 ( -0.530 -27.822 -6.496) 28.575 6.926 ( -1.137 2.907 -5.971) 6.738 9.257 ( 13.980 -1.036 2.812) 14.298 10.231 ( -4.246 8.047 -2.789) 9.517 11.031 ( -4.748 -18.181 -0.373) 18.795 12.039 ( 11.352 -8.031 16.000) 21.198 13.477 ( -2.013 1.494 -7.098) 7.528 15.189 ( -5.890 7.629 0.964) 9.686======================= Grid point 581 (229/580) =======================q-point: (-0.17 -0.28 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.808 ( 6.738 -21.268 -0.685) 22.320 3.443 ( 18.429 -24.469 -1.827) 30.687 4.814 ( 9.936 -6.179 2.303) 11.925 5.479 ( 3.414 -22.180 8.343) 23.942 6.119 ( 1.950 -25.822 -5.669) 26.508 6.928 ( -2.324 6.177 -3.616) 7.525 9.575 ( 20.191 1.262 0.309) 20.233 10.222 ( -3.296 5.900 -0.654) 6.790 10.717 ( -7.327 -22.541 1.510) 23.750 12.271 ( 17.965 -7.736 11.834) 22.861 13.427 ( -4.801 4.669 -7.457) 10.023 15.126 ( -9.997 6.994 2.032) 12.369======================= Grid point 582 (230/580) =======================q-point: (-0.11 -0.28 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.769 ( 13.017 -19.285 -1.960) 23.349 3.492 ( 16.581 -27.230 -1.552) 31.919 4.887 ( 5.512 -9.393 2.463) 11.166 5.419 ( 14.093 -22.426 4.660) 26.893 5.962 ( 8.291 -19.139 -2.921) 21.061 6.933 ( -3.747 7.187 -2.939) 8.622 9.801 ( 0.171 -1.920 -2.766) 3.372 10.319 ( 14.309 -1.049 3.427) 14.751 10.429 ( -1.595 -14.279 -0.563) 14.379 12.536 ( 18.280 -9.375 6.209) 21.462 13.344 ( -8.802 6.694 -7.152) 13.170 15.029 ( -9.777 6.888 4.953) 12.945======================= Grid point 598 (231/580) =======================q-point: (-0.22 -0.22 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.703 ( 0.000 -24.294 -0.245) 24.296 3.059 ( 0.000 -24.823 -2.880) 24.989 4.608 ( -0.000 -4.252 2.533) 4.949 5.442 ( -0.000 -27.323 8.222) 28.533 6.098 ( 0.000 -28.346 -6.336) 29.046 6.969 ( 0.000 6.211 -2.801) 6.814 9.130 ( -0.000 -1.015 3.145) 3.305 10.349 ( 0.000 8.668 -2.606) 9.051 10.914 ( 0.000 -15.992 -2.428) 16.176 11.858 ( -0.000 -16.084 17.831) 24.014 13.512 ( 0.000 6.018 -6.098) 8.567 15.320 ( -0.000 7.759 0.278) 7.764======================= Grid point 599 (232/580) =======================q-point: (-0.17 -0.22 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.478 ( 3.725 -25.705 -2.008) 26.051 2.909 ( 12.616 -26.440 -2.319) 29.387 4.630 ( 6.001 -4.592 2.753) 8.042 5.155 ( 2.742 -36.711 2.702) 36.912 5.827 ( 0.902 -24.002 -3.332) 24.249 7.021 ( -1.298 7.518 -1.209) 7.724 9.266 ( 14.796 0.300 2.275) 14.973 10.382 ( -4.621 7.870 -1.799) 9.302 10.645 ( -9.217 -20.389 -0.211) 22.377 11.897 ( 15.577 -15.416 13.864) 25.933 13.544 ( -2.920 8.994 -5.236) 10.809 15.341 ( -6.098 7.112 0.486) 9.381======================= Grid point 600 (233/580) =======================q-point: (-0.11 -0.22 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.337 ( 10.591 -24.380 -3.511) 26.812 2.911 ( 18.106 -27.787 -1.825) 33.216 4.707 ( 6.871 -6.431 2.538) 9.747 4.899 ( 12.319 -37.788 -0.029) 39.745 5.648 ( 4.980 -19.432 -1.230) 20.097 7.059 ( -2.828 7.715 -0.855) 8.262 9.606 ( 19.600 1.428 0.396) 19.656 10.204 ( -10.277 -17.907 2.726) 20.826 10.413 ( -2.395 1.455 -1.725) 3.290 12.106 ( 19.529 -13.963 6.566) 24.889 13.545 ( -6.426 10.299 -4.222) 12.852 15.274 ( -9.261 6.302 2.953) 11.584======================= Grid point 617 (234/580) =======================q-point: (-0.17 -0.17 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.169 ( 0.000 -28.134 -2.949) 28.289 2.513 ( 0.000 -28.342 -2.474) 28.450 4.546 ( -0.000 -4.000 3.164) 5.101 4.708 ( 0.000 -46.622 -2.385) 46.683 5.589 ( 0.000 -21.814 -0.819) 21.829 7.107 ( -0.000 7.904 -0.041) 7.904 9.143 ( -0.000 0.511 2.193) 2.252 10.458 ( 0.000 1.433 -0.936) 1.712 10.576 ( 0.000 -16.295 -2.284) 16.455 11.629 ( -0.000 -15.736 16.102) 22.515 13.655 ( 0.000 10.983 -3.994) 11.687 15.464 ( 0.000 6.850 -0.748) 6.890======================= Grid point 618 (235/580) =======================q-point: (-0.11 -0.17 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.921 ( 5.748 -27.990 -4.307) 28.897 2.344 ( 13.456 -29.071 -1.851) 32.088 4.277 ( 8.229 -49.249 -3.785) 50.075 4.562 ( 4.725 -4.176 2.853) 6.921 5.393 ( 2.058 -20.130 -0.101) 20.235 7.172 ( -1.565 7.591 0.054) 7.751 9.302 ( 15.734 2.164 1.166) 15.925 10.234 ( -14.204 -20.997 0.626) 25.358 10.464 ( -0.051 -0.495 -0.633) 0.805 11.700 ( 14.495 -10.639 11.070) 21.115 13.726 ( -3.399 11.342 -3.133) 12.248 15.473 ( -5.791 5.960 0.140) 8.312======================= Grid point 636 (236/580) =======================q-point: (-0.11 -0.11 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.571 ( 0.000 -29.303 -4.348) 29.624 1.914 ( 0.000 -30.668 -1.524) 30.706 3.661 ( 0.000 -55.264 -5.488) 55.535 4.494 ( -0.000 -3.378 3.050) 4.551 5.175 ( 0.000 -19.956 -0.152) 19.956 7.259 ( -0.000 7.023 0.011) 7.023 9.181 ( -0.000 2.343 0.929) 2.520 10.249 ( 0.000 -15.152 -1.592) 15.236 10.317 ( -0.000 -15.904 1.899) 16.017 11.560 ( -0.000 -1.029 13.650) 13.689 13.858 ( 0.000 11.084 -2.465) 11.355 15.578 ( 0.000 5.526 -1.789) 5.809======================= Grid point 695 (237/580) =======================q-point: ( 0.11 0.11 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 580Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.560 ( -0.000 0.000 26.830) 26.830 0.560 ( -0.000 0.000 26.830) 26.830 1.020 ( -0.000 0.000 48.990) 48.990 4.368 ( 0.000 -0.000 -3.507) 3.507 4.368 ( 0.000 -0.000 -3.507) 3.507 8.697 ( 0.000 -0.000 -9.138) 9.138 9.446 ( -0.000 0.000 0.238) 0.238 9.446 ( -0.000 0.000 0.238) 0.238 9.592 ( -0.000 0.000 -0.002) 0.002 9.592 ( 0.000 -0.000 -0.002) 0.002 14.260 ( -0.000 0.000 3.946) 3.946 15.344 ( 0.000 -0.000 -0.692) 0.692======================= Grid point 696 (238/580) =======================q-point: ( 0.17 0.11 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.953 ( 20.474 11.821 18.894) 30.264 0.989 ( 15.419 8.902 26.008) 31.519 1.565 ( 36.122 20.855 27.644) 50.039 4.390 ( 2.116 1.221 -3.280) 4.089 4.463 ( 8.825 5.095 -5.286) 11.480 7.754 ( -23.563 -13.604 13.549) 30.395 9.330 ( -5.663 -3.270 -0.912) 6.603 9.639 ( 13.636 7.873 1.282) 15.798 9.741 ( 8.993 5.192 0.794) 10.414 11.002 ( 45.793 26.438 -43.009) 68.160 14.238 ( -3.676 -2.122 4.791) 6.401 15.394 ( 0.685 0.395 -10.426) 10.456======================= Grid point 697 (239/580) =======================q-point: ( 0.22 0.11 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.403 ( 15.307 8.837 23.402) 29.326 1.521 ( 23.728 13.699 12.767) 30.227 2.605 ( 45.652 26.357 11.510) 53.956 4.439 ( 3.103 1.792 -2.989) 4.666 4.721 ( 14.998 8.659 -4.232) 17.827 7.460 ( -8.840 -5.104 3.700) 10.857 9.216 ( -3.762 -2.172 -1.660) 4.651 9.974 ( 11.002 6.352 1.230) 12.764 10.006 ( 16.551 9.556 0.102) 19.111 11.543 ( 18.153 10.481 -17.053) 27.022 14.121 ( -8.103 -4.678 5.726) 10.970 15.291 ( -5.026 -2.902 -14.303) 15.435======================= Grid point 698 (240/580) =======================q-point: ( 0.28 0.11 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.866 ( 19.417 11.211 15.141) 27.055 2.101 ( 23.593 13.621 9.048) 28.706 3.657 ( 43.403 25.059 4.561) 50.324 4.507 ( 3.595 2.076 -2.649) 4.924 5.103 ( 18.978 10.957 -2.268) 22.031 7.301 ( -6.310 -3.643 0.905) 7.342 9.150 ( -1.433 -0.827 -2.157) 2.718 10.248 ( 12.533 7.236 1.506) 14.550 10.318 ( 10.019 5.784 -2.085) 11.755 11.898 ( 17.239 9.953 -0.229) 19.907 13.913 ( -11.722 -6.768 6.035) 14.820 15.102 ( -6.362 -3.673 -16.510) 18.071======================= Grid point 699 (241/580) =======================q-point: ( 0.33 0.11 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.374 ( 21.191 12.235 7.865) 25.703 2.648 ( 21.847 12.613 6.367) 26.018 4.582 ( 3.593 2.075 -2.211) 4.702 4.590 ( 37.252 21.508 -1.227) 43.033 5.550 ( 20.111 11.611 0.051) 23.222 7.169 ( -5.617 -3.243 1.485) 6.654 9.136 ( 0.826 0.477 -2.419) 2.600 10.454 ( 3.173 1.832 -0.157) 3.668 10.552 ( 13.485 7.786 1.630) 15.657 12.329 ( 18.970 10.953 3.517) 22.186 13.635 ( -14.230 -8.215 6.661) 17.730 14.911 ( -5.092 -2.940 -16.389) 17.412======================= Grid point 700 (242/580) =======================q-point: ( 0.39 0.11 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.867 ( 20.067 11.586 2.212) 23.277 3.133 ( 18.880 10.900 4.292) 22.219 4.653 ( 3.165 1.827 -1.618) 3.997 5.326 ( 28.064 16.203 -7.505) 33.264 6.002 ( 18.767 10.835 1.932) 21.756 7.063 ( -4.330 -2.500 4.738) 6.888 9.168 ( 2.585 1.492 -2.516) 3.904 10.511 ( 2.193 1.266 4.335) 5.020 10.867 ( 13.441 7.760 1.617) 15.604 12.710 ( 11.960 6.905 -7.237) 15.591 13.345 ( -11.817 -6.823 12.672) 18.621 14.774 ( -2.266 -1.308 -13.057) 13.316======================= Grid point 701 (243/580) =======================q-point: ( 0.44 0.11 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.289 ( 16.617 9.594 -1.897) 19.282 3.533 ( 14.993 8.656 2.725) 17.526 4.713 ( 2.401 1.386 -0.865) 2.904 5.806 ( 17.081 9.862 -13.262) 23.768 6.401 ( 15.141 8.742 2.097) 17.609 7.020 ( -1.324 -0.765 10.137) 10.252 9.230 ( 3.461 1.998 -2.559) 4.745 10.615 ( 5.489 3.169 7.778) 10.033 11.166 ( 12.012 6.935 1.502) 13.952 12.651 ( -11.726 -6.770 -17.710) 22.293 13.339 ( 5.522 3.188 15.067) 16.361 14.721 ( 0.568 0.328 -7.674) 7.702======================= Grid point 702 (244/580) =======================q-point: ( 0.50 0.11 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.604 ( 11.774 6.798 -4.343) 14.272 3.832 ( 10.479 6.050 1.660) 12.213 4.755 ( 1.434 0.828 -0.059) 1.657 6.040 ( 8.676 5.009 -15.139) 18.154 6.684 ( 8.885 5.130 -0.269) 10.263 7.072 ( 1.903 1.099 14.915) 15.076 9.300 ( 3.255 1.880 -2.631) 4.588 10.818 ( 9.642 5.567 8.380) 13.935 11.414 ( 9.061 5.231 1.340) 10.548 12.238 ( -17.499 -10.103 -16.013) 25.782 13.528 ( 6.309 3.643 6.920) 10.048 14.735 ( 1.861 1.075 -3.050) 3.731======================= Grid point 703 (245/580) =======================q-point: ( 0.56 0.11 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.797 ( 6.553 3.783 -5.107) 9.129 4.019 ( 5.438 3.140 1.082) 6.372 4.778 ( 0.498 0.288 0.572) 0.811 6.147 ( 5.767 3.330 -13.411) 14.973 6.798 ( 1.850 1.068 -2.673) 3.421 7.180 ( 1.978 1.142 16.575) 16.731 9.354 ( 2.079 1.200 -2.744) 3.645 11.065 ( 7.664 4.425 2.973) 9.335 11.579 ( 4.810 2.777 1.194) 5.681 11.816 ( -12.601 -7.275 -12.021) 18.874 13.654 ( 3.150 1.819 3.294) 4.907 14.771 ( 1.640 0.947 -0.628) 1.995======================= Grid point 704 (246/580) =======================q-point: (-0.39 0.11 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.869 ( 1.201 0.694 -4.777) 4.974 4.083 ( -0.201 -0.116 0.902) 0.931 4.784 ( -0.155 -0.090 0.778) 0.798 6.236 ( 6.003 3.466 -11.554) 13.474 6.773 ( -2.808 -1.621 -2.577) 4.142 7.237 ( -2.366 -1.366 15.747) 15.982 9.373 ( 0.361 0.208 -2.836) 2.866 10.995 ( -11.767 -6.794 -12.880) 18.722 11.636 ( -0.183 -0.106 1.123) 1.143 11.777 ( 10.282 5.937 0.849) 11.903 13.688 ( -1.122 -0.648 2.090) 2.459 14.804 ( 1.344 0.776 0.644) 1.680======================= Grid point 705 (247/580) =======================q-point: (-0.33 0.11 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.813 ( -4.991 -2.882 -4.307) 7.195 4.013 ( -6.210 -3.585 0.861) 7.222 4.777 ( -0.647 -0.374 0.507) 0.903 6.345 ( 6.769 3.908 -12.637) 14.859 6.669 ( -5.678 -3.278 1.365) 6.697 7.158 ( -9.299 -5.369 13.841) 17.518 9.352 ( -1.286 -0.743 -2.820) 3.187 10.640 ( -12.727 -7.348 -14.581) 20.701 11.578 ( -5.172 -2.986 1.167) 6.085 12.096 ( 15.335 8.854 -0.952) 17.733 13.612 ( -6.224 -3.594 2.037) 7.470 14.847 ( 2.241 1.294 2.311) 3.469======================= Grid point 706 (248/580) =======================q-point: (-0.28 0.11 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.604 ( -12.062 -6.964 -4.149) 14.533 3.807 ( -12.016 -6.938 0.654) 13.890 4.756 ( -1.336 -0.772 -0.063) 1.544 6.371 ( -3.793 -2.190 -16.219) 16.800 6.607 ( 2.048 1.183 8.091) 8.430 6.898 ( -17.145 -9.899 11.085) 22.689 9.300 ( -2.300 -1.328 -2.642) 3.746 10.370 ( -6.497 -3.751 -11.462) 13.699 11.414 ( -9.421 -5.439 1.322) 10.958 12.414 ( 12.863 7.426 -8.603) 17.164 13.428 ( -10.051 -5.803 4.198) 12.342 14.931 ( 4.263 2.461 4.645) 6.768======================= Grid point 707 (249/580) =======================q-point: (-0.22 0.11 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.237 ( -18.698 -10.795 -3.996) 21.957 3.473 ( -17.220 -9.942 0.266) 19.886 4.714 ( -2.188 -1.263 -0.791) 2.647 6.090 ( -16.735 -9.662 -7.004) 20.554 6.467 ( -22.262 -12.853 8.380) 27.037 6.758 ( 7.721 4.458 1.386) 9.023 9.236 ( -2.364 -1.365 -2.311) 3.577 10.278 ( 1.032 0.596 -6.775) 6.879 11.167 ( -12.396 -7.157 1.538) 14.396 12.536 ( -0.769 -0.444 -19.404) 19.424 13.269 ( -2.978 -1.719 9.826) 10.410 15.072 ( 6.222 3.592 6.602) 9.757======================= Grid point 708 (250/580) =======================q-point: (-0.17 0.11 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.738 ( -23.572 -13.610 -3.197) 27.406 3.029 ( -21.536 -12.434 -0.022) 24.868 4.651 ( -2.902 -1.675 -1.601) 3.714 5.524 ( -31.958 -18.451 0.438) 36.904 6.003 ( -19.358 -11.176 2.397) 22.481 6.941 ( 7.873 4.546 -0.180) 9.093 9.184 ( -1.482 -0.856 -1.881) 2.543 10.349 ( 5.621 3.245 -2.209) 6.856 10.869 ( -13.884 -8.016 1.721) 16.124 12.245 ( -15.995 -9.235 -19.642) 26.961 13.382 ( 8.224 4.748 6.593) 11.561 15.250 ( 7.115 4.108 7.103) 10.860======================= Grid point 709 (251/580) =======================q-point: (-0.11 0.11 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.160 ( -25.992 -15.006 -0.920) 30.027 2.499 ( -24.704 -14.263 0.207) 28.527 4.574 ( -3.202 -1.849 -2.395) 4.405 4.676 ( -41.982 -24.238 3.476) 48.601 5.582 ( -18.248 -10.535 0.595) 21.079 7.111 ( 7.041 4.065 -0.689) 8.160 9.161 ( 0.101 0.058 -1.410) 1.415 10.452 ( 1.550 0.895 0.304) 1.815 10.555 ( -14.010 -8.089 1.768) 16.273 11.800 ( -14.910 -8.609 -17.202) 24.338 13.618 ( 10.314 5.955 3.245) 12.344 15.432 ( 6.637 3.832 5.627) 9.507======================= Grid point 714 (252/580) =======================q-point: ( 0.17 0.17 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.936 ( -0.000 20.085 18.933) 27.602 1.081 ( -0.000 15.242 28.373) 32.208 1.714 ( -0.000 40.824 28.814) 49.969 4.336 ( 0.000 0.685 -4.898) 4.946 4.485 ( 0.000 12.005 -4.585) 12.851 7.814 ( -0.000 -29.134 12.096) 31.545 9.354 ( 0.000 -6.630 -0.264) 6.635 9.522 ( 0.000 11.208 -2.126) 11.408 9.738 ( -0.000 11.386 0.770) 11.412 10.842 ( 0.000 48.003 -36.278) 60.169 14.255 ( -0.000 -4.232 5.156) 6.670 15.426 ( 0.000 6.826 -9.628) 11.802======================= Grid point 715 (253/580) =======================q-point: ( 0.22 0.17 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.382 ( 9.490 12.999 25.644) 30.276 1.389 ( 15.672 19.412 15.803) 29.533 2.422 ( 21.112 44.918 15.989) 52.144 4.375 ( 4.372 1.351 -4.644) 6.519 4.647 ( 5.458 14.951 -4.126) 16.442 7.539 ( -7.431 -12.264 4.960) 15.173 9.409 ( -8.567 7.568 -1.520) 11.531 9.535 ( 15.710 -3.521 -0.893) 16.124 10.043 ( 10.913 15.718 1.012) 19.161 11.258 ( 18.123 16.789 -23.359) 34.000 14.186 ( -3.860 -6.928 5.862) 9.862 15.374 ( -7.666 3.597 -11.892) 14.598======================= Grid point 716 (254/580) =======================q-point: ( 0.28 0.17 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.760 ( 12.984 12.325 20.322) 27.082 1.958 ( 18.894 21.850 10.152) 30.618 3.335 ( 30.882 38.231 7.181) 49.668 4.461 ( 4.446 3.195 -3.909) 6.727 4.944 ( 12.608 15.464 -2.526) 20.112 7.353 ( -5.219 -6.840 1.035) 8.665 9.311 ( -11.184 11.848 -2.198) 16.441 9.853 ( 24.599 -6.595 -0.959) 25.486 10.336 ( 5.685 12.487 0.218) 13.722 11.651 ( 20.692 8.848 -7.752) 23.802 14.028 ( -7.817 -8.750 6.580) 13.453 15.187 ( -10.821 1.308 -14.100) 17.822======================= Grid point 717 (255/580) =======================q-point: ( 0.33 0.17 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.201 ( 16.929 13.235 12.032) 24.627 2.519 ( 17.375 22.242 7.316) 29.157 4.229 ( 31.621 28.728 0.378) 42.724 4.561 ( 3.814 6.069 -3.010) 7.774 5.349 ( 17.323 14.467 -0.018) 22.569 7.216 ( -4.322 -5.199 0.665) 6.794 9.257 ( -8.223 12.352 -2.545) 15.055 10.210 ( 22.585 -3.084 -1.633) 22.853 10.485 ( 2.770 4.258 1.759) 5.376 12.098 ( 21.387 9.918 -0.476) 23.579 13.798 ( -11.265 -9.068 7.721) 16.393 14.963 ( -9.631 0.043 -15.381) 18.147======================= Grid point 718 (256/580) =======================q-point: ( 0.39 0.17 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.663 ( 18.275 12.466 5.051) 22.691 3.032 ( 14.537 21.618 5.029) 26.533 4.634 ( 3.272 5.460 -3.045) 7.056 5.012 ( 26.744 21.750 -5.052) 34.841 5.800 ( 18.517 12.754 2.312) 22.603 7.108 ( -3.361 -4.106 2.862) 6.029 9.255 ( -5.467 12.612 -2.692) 14.007 10.472 ( 6.253 0.465 0.959) 6.343 10.642 ( 16.492 0.036 2.868) 16.739 12.516 ( 16.359 7.160 -5.213) 18.602 13.537 ( -12.536 -6.661 11.295) 18.142 14.776 ( -5.471 -0.643 -13.782) 14.842======================= Grid point 719 (257/580) =======================q-point: ( 0.44 0.17 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.089 ( 17.017 10.187 -0.265) 19.835 3.470 ( 10.798 20.012 3.252) 22.970 4.720 ( 1.259 6.190 -1.988) 6.622 5.559 ( 19.582 13.221 -10.897) 26.019 6.229 ( 16.555 10.229 3.210) 19.723 7.051 ( -1.015 -2.677 7.216) 7.763 9.296 ( -3.473 12.701 -2.707) 13.443 10.559 ( 4.815 -0.394 6.485) 8.087 10.972 ( 17.637 2.803 0.660) 17.871 12.657 ( -0.676 -2.515 -17.172) 17.369 13.399 ( -3.555 1.188 16.621) 17.039 14.680 ( -0.318 -1.055 -9.084) 9.151======================= Grid point 720 (258/580) =======================q-point: ( 0.50 0.17 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.434 ( 13.857 7.002 -3.837) 15.993 3.814 ( 6.492 17.616 2.049) 18.886 4.787 ( -0.329 6.694 -0.921) 6.765 5.874 ( 11.415 6.732 -14.173) 19.403 6.567 ( 11.607 6.593 1.896) 13.483 7.076 ( 2.465 -1.477 12.068) 12.405 9.361 ( -2.718 12.717 -2.775) 13.297 10.697 ( 9.119 -0.878 7.996) 12.160 11.279 ( 13.635 4.160 -0.139) 14.256 12.393 ( -14.751 -5.632 -17.307) 23.427 13.497 ( 3.851 3.407 10.142) 11.371 14.673 ( 3.161 -1.584 -3.900) 5.264======================= Grid point 721 (259/580) =======================q-point: ( 0.56 0.17 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.672 ( 9.706 3.599 -5.566) 11.753 4.052 ( 1.850 14.712 1.431) 14.897 4.833 ( -2.004 7.036 0.031) 7.316 6.026 ( 6.983 3.811 -14.027) 16.126 6.751 ( 4.547 2.003 -0.744) 5.024 7.175 ( 4.563 -1.445 15.293) 16.024 9.426 ( -3.404 12.447 -2.988) 13.246 10.882 ( 11.422 -4.901 4.855) 13.344 11.508 ( 8.923 3.407 -1.431) 9.659 12.020 ( -17.501 0.657 -12.839) 21.715 13.615 ( 3.964 0.928 4.888) 6.361 14.711 ( 4.015 -2.390 -0.869) 4.752======================= Grid point 722 (260/580) =======================q-point: ( 0.61 0.17 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.800 ( 5.098 0.392 -5.729) 7.679 4.175 ( -3.210 11.588 1.217) 12.086 4.857 ( -3.540 7.172 0.609) 8.021 6.123 ( 6.149 3.229 -12.889) 14.641 6.776 ( -0.540 -1.793 -1.407) 2.342 7.271 ( 2.119 -3.154 15.727) 16.179 9.463 ( -5.024 11.464 -3.246) 12.931 10.916 ( 1.514 -14.569 -6.842) 16.166 11.663 ( 8.017 1.661 -2.210) 8.480 11.811 ( -10.241 13.059 -2.266) 16.750 13.674 ( 1.835 -2.011 2.874) 3.959 14.750 ( 3.756 -3.029 0.333) 4.836======================= Grid point 723 (261/580) =======================q-point: (-0.33 0.17 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.811 ( -0.400 -2.788 -5.153) 5.873 4.175 ( -8.927 8.435 1.081) 12.330 4.859 ( -4.619 6.978 0.682) 8.396 6.220 ( 6.585 3.124 -13.247) 15.119 6.710 ( -3.110 -3.941 0.914) 5.103 7.265 ( -3.994 -6.243 14.619) 16.391 9.456 ( -6.611 9.754 -3.392) 12.262 10.657 ( -7.588 -13.946 -13.204) 20.650 11.692 ( -5.442 1.568 0.561) 5.691 11.964 ( 9.550 13.032 -1.266) 16.206 13.650 ( -2.090 -4.715 2.444) 5.707 14.789 ( 4.235 -2.915 1.367) 5.320======================= Grid point 724 (262/580) =======================q-point: (-0.28 0.17 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.687 ( -7.266 -6.099 -4.563) 10.527 4.041 ( -15.056 5.331 0.788) 15.991 4.842 ( -5.355 6.349 0.309) 8.312 6.294 ( 3.838 0.618 -16.735) 17.181 6.630 ( -1.883 -3.157 6.620) 7.572 7.096 ( -12.100 -9.827 12.856) 20.205 9.412 ( -7.372 8.183 -3.234) 11.479 10.374 ( -6.276 -8.307 -11.752) 15.700 11.560 ( -10.416 -1.326 1.394) 10.592 12.261 ( 11.685 10.364 -6.544) 16.935 13.526 ( -6.702 -6.647 3.457) 10.053 14.858 ( 6.049 -1.953 3.019) 7.037======================= Grid point 725 (263/580) =======================q-point: (-0.22 0.17 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.409 ( -14.676 -9.020 -4.005) 17.686 3.772 ( -20.896 2.367 0.420) 21.034 4.802 ( -6.012 5.312 -0.378) 8.031 6.181 ( -7.564 -6.604 -13.108) 16.512 6.679 ( 4.747 0.956 3.249) 5.831 6.747 ( -19.277 -12.167 12.420) 25.960 9.354 ( -7.425 8.261 -2.678) 11.426 10.224 ( -0.360 -3.290 -7.795) 8.468 11.325 ( -13.247 -5.883 1.606) 14.583 12.474 ( 5.142 7.295 -15.058) 17.504 13.348 ( -6.748 -5.981 7.479) 11.715 14.981 ( 8.231 -0.746 4.610) 9.464======================= Grid point 726 (264/580) =======================q-point: (-0.17 0.17 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.989 ( -21.134 -10.797 -2.937) 23.913 3.382 ( -25.849 -0.232 0.248) 25.852 4.738 ( -6.491 4.067 -1.236) 7.759 5.822 ( -20.663 -12.443 -6.156) 24.894 6.259 ( -22.756 -12.847 6.484) 26.924 6.843 ( 8.037 2.883 1.884) 8.743 9.308 ( -7.482 10.062 -2.089) 12.712 10.242 ( 6.299 -0.479 -3.376) 7.163 11.010 ( -14.125 -11.106 1.491) 18.030 12.400 ( -12.369 1.896 -19.085) 22.822 13.317 ( 4.389 -0.453 8.730) 9.781 15.148 ( 9.534 -0.078 4.998) 10.765======================= Grid point 727 (265/580) =======================q-point: (-0.11 0.17 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.471 ( -25.534 -10.933 -0.537) 27.781 2.894 ( -29.578 -2.136 0.581) 29.661 4.654 ( -6.541 2.877 -2.106) 7.450 5.165 ( -36.715 -17.209 0.521) 40.551 5.802 ( -19.185 -10.240 1.774) 21.819 7.014 ( 8.026 2.834 0.172) 8.513 9.286 ( -7.130 12.334 -1.656) 14.343 10.374 ( 8.529 0.065 -0.142) 8.531 10.640 ( -13.211 -16.896 0.821) 21.463 12.046 ( -21.544 2.198 -15.265) 26.495 13.493 ( 10.526 2.534 4.790) 11.839 15.326 ( 9.466 -0.428 3.514) 10.106======================= Grid point 733 (266/580) =======================q-point: ( 0.22 0.22 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.505 ( -0.000 25.513 12.932) 28.604 1.540 ( -0.000 13.368 27.608) 30.674 2.794 ( -0.000 50.864 13.137) 52.533 4.333 ( 0.000 2.514 -5.334) 5.897 4.759 ( 0.000 18.228 -3.642) 18.588 7.484 ( -0.000 -13.318 3.438) 13.755 9.228 ( 0.000 -5.414 -1.408) 5.594 9.831 ( 0.000 20.742 -3.388) 21.017 10.002 ( -0.000 14.155 1.763) 14.264 11.177 ( 0.000 11.748 -17.776) 21.307 14.159 ( -0.000 -9.113 5.901) 10.856 15.447 ( 0.000 2.954 -11.857) 12.220======================= Grid point 734 (267/580) =======================q-point: ( 0.28 0.22 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.811 ( 5.316 14.479 22.697) 27.442 1.935 ( 13.968 25.235 10.392) 30.657 3.429 ( 11.742 47.309 6.889) 49.229 4.390 ( 4.905 3.517 -4.900) 7.774 4.973 ( 4.195 19.946 -2.204) 20.501 7.346 ( -2.877 -9.335 0.998) 9.819 9.344 ( 17.831 -5.656 -1.655) 18.780 9.769 ( -17.134 20.111 -2.607) 26.548 10.336 ( 9.085 12.528 0.794) 15.495 11.363 ( 16.702 6.904 -9.400) 20.371 14.050 ( -3.534 -10.622 6.149) 12.772 15.346 ( -8.956 1.645 -12.307) 15.310======================= Grid point 735 (268/580) =======================q-point: ( 0.33 0.22 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.155 ( 10.020 15.037 15.238) 23.637 2.492 ( 17.107 25.291 7.929) 31.546 4.127 ( 17.924 37.329 0.043) 41.409 4.522 ( 6.651 5.954 -3.995) 9.780 5.284 ( 9.435 19.666 0.587) 21.820 7.220 ( -2.864 -6.756 0.423) 7.350 9.566 ( -0.900 9.296 -1.332) 9.434 9.782 ( 11.224 6.258 -3.773) 13.393 10.494 ( 1.373 3.098 2.146) 4.011 11.789 ( 24.086 8.837 -3.655) 25.915 13.878 ( -6.505 -10.554 7.195) 14.334 15.123 ( -12.645 1.035 -12.983) 18.153======================= Grid point 736 (269/580) =======================q-point: ( 0.39 0.22 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.542 ( 13.350 14.085 7.792) 20.912 3.046 ( 14.913 25.869 5.775) 30.413 4.607 ( 6.718 10.387 -5.359) 13.481 4.836 ( 18.612 23.514 -3.796) 30.228 5.676 ( 13.353 17.693 3.308) 22.411 7.119 ( -2.398 -5.112 1.906) 5.960 9.562 ( -11.389 18.730 -2.036) 22.015 10.150 ( 25.387 -0.683 -3.719) 25.667 10.520 ( 1.041 -2.173 5.576) 6.075 12.251 ( 20.475 6.779 -5.477) 22.253 13.684 ( -8.212 -7.861 10.138) 15.232 14.875 ( -11.216 0.319 -12.671) 16.925======================= Grid point 737 (270/580) =======================q-point: ( 0.44 0.22 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.926 ( 14.379 11.572 1.633) 18.529 3.539 ( 10.604 25.815 3.935) 28.184 4.754 ( 2.882 8.928 -4.068) 10.226 5.346 ( 18.115 16.265 -8.635) 25.831 6.088 ( 14.164 14.037 4.263) 20.392 7.056 ( -1.007 -3.642 5.071) 6.324 9.563 ( -9.367 19.080 -1.910) 21.341 10.490 ( 7.246 0.040 2.753) 7.751 10.628 ( 20.111 -2.108 1.600) 20.285 12.519 ( 8.907 0.172 -13.221) 15.943 13.547 ( -6.047 -1.599 14.431) 15.728 14.683 ( -5.834 -1.020 -9.887) 11.525======================= Grid point 738 (271/580) =======================q-point: ( 0.50 0.22 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.261 ( 13.255 8.073 -2.789) 15.769 3.939 ( 5.552 24.676 2.573) 25.423 4.867 ( 0.742 10.063 -2.758) 10.461 5.699 ( 12.659 9.030 -11.697) 19.458 6.445 ( 12.080 9.124 3.623) 15.566 7.052 ( 1.573 -2.907 8.892) 9.487 9.605 ( -7.263 19.158 -1.761) 20.564 10.575 ( 5.349 -2.797 7.360) 9.519 11.007 ( 20.982 1.657 -2.871) 21.242 12.470 ( -5.214 -2.931 -16.320) 17.382 13.546 ( -1.215 2.532 12.355) 12.671 14.595 ( 0.607 -2.965 -5.051) 5.888======================= Grid point 739 (272/580) =======================q-point: ( 0.56 0.22 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.514 ( 10.701 4.363 -5.257) 12.696 4.231 ( 0.393 22.559 1.822) 22.636 4.959 ( -1.480 11.232 -1.379) 11.413 5.895 ( 7.799 5.051 -12.753) 15.779 6.684 ( 6.594 4.023 1.366) 7.844 7.112 ( 4.819 -3.700 12.523) 13.919 9.672 ( -6.862 19.615 -2.194) 20.896 10.670 ( 7.804 -6.644 5.365) 11.568 11.321 ( 14.702 1.607 -4.495) 15.458 12.260 ( -11.540 3.505 -12.322) 17.242 13.597 ( 0.806 0.735 6.853) 6.940 14.594 ( 4.422 -4.927 -1.167) 6.723======================= Grid point 740 (273/580) =======================q-point: ( 0.61 0.22 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.677 ( 7.361 1.097 -5.903) 9.499 4.410 ( -4.674 19.805 1.553) 20.408 5.026 ( -4.009 12.198 -0.242) 12.842 6.007 ( 5.977 3.510 -12.593) 14.374 6.756 ( 0.571 -0.943 -0.413) 1.177 7.212 ( 5.688 -5.175 14.469) 16.385 9.726 ( -8.512 18.906 -3.088) 20.962 10.703 ( 4.882 -12.344 -1.533) 13.362 11.511 ( 9.370 0.065 -4.850) 10.551 12.125 ( -10.278 14.168 -5.213) 18.263 13.626 ( 1.552 -2.904 3.840) 5.058 14.624 ( 5.434 -6.318 0.408) 8.343======================= Grid point 741 (274/580) =======================q-point: (-0.33 0.22 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.746 ( 3.104 -1.601 -5.440) 6.465 4.471 ( -9.919 16.709 1.343) 19.478 5.059 ( -6.480 12.594 0.463) 14.171 6.096 ( 5.921 2.732 -12.952) 14.501 6.713 ( -1.914 -4.196 0.685) 4.663 7.267 ( 1.550 -7.472 14.076) 16.012 9.722 ( -10.385 15.129 -3.927) 18.766 10.577 ( -2.854 -11.034 -8.166) 14.020 11.642 ( 7.786 -1.699 -2.225) 8.274 12.132 ( -7.132 18.657 -2.012) 20.075 13.614 ( 0.695 -5.977 2.823) 6.646 14.657 ( 5.911 -6.707 1.034) 9.000======================= Grid point 742 (275/580) =======================q-point: (-0.28 0.22 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.707 ( -2.752 -3.970 -4.688) 6.732 4.406 ( -15.644 13.388 0.898) 20.610 5.056 ( -8.363 12.145 0.644) 14.760 6.168 ( 5.117 0.966 -14.903) 15.787 6.638 ( -1.636 -4.926 4.238) 6.701 7.194 ( -5.564 -10.055 12.751) 17.165 9.651 ( -9.983 9.634 -4.018) 14.444 10.385 ( -7.058 -2.706 -9.052) 11.793 11.669 ( -2.110 -4.213 -0.310) 4.722 12.242 ( 1.127 16.457 -4.505) 17.099 13.544 ( -2.323 -7.497 3.074) 8.429 14.711 ( 7.397 -5.969 1.902) 9.694======================= Grid point 743 (276/580) =======================q-point: (-0.22 0.22 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.535 ( -10.031 -5.875 -3.890) 12.258 4.205 ( -21.507 9.973 0.391) 23.710 5.017 ( -9.587 10.710 0.233) 14.376 6.148 ( -0.910 -3.928 -15.102) 15.631 6.625 ( 2.734 -2.002 5.524) 6.481 6.958 ( -13.932 -11.993 11.572) 21.722 9.572 ( -7.218 7.829 -2.576) 10.955 10.241 ( -6.893 3.575 -7.275) 10.641 11.488 ( -11.491 -7.569 0.497) 13.769 12.428 ( 5.134 12.587 -10.130) 16.953 13.413 ( -5.480 -7.373 5.309) 10.611 14.812 ( 9.626 -4.596 2.797) 11.027======================= Grid point 744 (277/580) =======================q-point: (-0.17 0.22 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.225 ( -17.324 -6.697 -2.671) 18.764 3.874 ( -26.772 6.682 0.186) 27.594 4.942 ( -10.154 8.401 -0.616) 13.194 5.949 ( -10.216 -7.971 -10.628) 16.759 6.537 ( -19.531 -11.949 5.748) 23.607 6.750 ( 5.135 0.102 6.487) 8.274 9.552 ( -5.731 11.313 -0.662) 12.699 10.180 ( -2.078 4.275 -4.636) 6.640 11.152 ( -15.508 -12.875 0.354) 20.159 12.535 ( -2.871 10.163 -15.679) 18.904 13.295 ( -1.670 -5.228 9.130) 10.653 14.963 ( 11.253 -3.541 2.692) 12.100======================= Grid point 745 (278/580) =======================q-point: (-0.11 0.22 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.806 ( -23.132 -5.851 -0.414) 23.864 3.431 ( -30.801 3.790 0.572) 31.039 4.834 ( -9.919 5.633 -1.581) 11.516 5.550 ( -24.009 -9.852 -5.327) 26.493 6.065 ( -22.127 -9.908 4.645) 24.685 6.899 ( 8.154 1.478 2.160) 8.564 9.577 ( -7.622 16.327 -0.196) 18.020 10.227 ( 5.250 1.177 -1.591) 5.610 10.725 ( -16.246 -17.242 -0.210) 23.691 12.397 ( -17.050 8.591 -12.840) 23.008 13.353 ( 8.230 -1.630 7.181) 11.044 15.132 ( 11.437 -3.546 0.845) 12.004======================= Grid point 752 (279/580) =======================q-point: ( 0.28 0.28 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.996 ( -0.000 15.889 20.890) 26.246 2.099 ( -0.000 26.520 9.523) 28.178 3.833 ( -0.000 47.210 3.102) 47.312 4.365 ( 0.000 4.263 -4.807) 6.425 5.148 ( 0.000 22.696 -1.120) 22.724 7.279 ( -0.000 -9.088 0.622) 9.109 9.126 ( 0.000 -3.491 -2.304) 4.182 10.233 ( 0.000 20.247 -3.240) 20.505 10.314 ( -0.000 15.789 2.181) 15.938 11.220 ( 0.000 3.207 -6.329) 7.094 13.988 ( -0.000 -11.659 5.755) 13.001 15.393 ( 0.000 -0.114 -11.948) 11.949======================= Grid point 753 (280/580) =======================q-point: ( 0.33 0.28 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.250 ( 3.637 16.339 15.615) 22.892 2.505 ( 12.471 25.727 8.005) 29.690 4.321 ( 5.206 39.271 -2.873) 39.719 4.449 ( 5.948 6.020 -3.995) 9.358 5.407 ( 2.955 24.498 1.563) 24.725 7.188 ( -1.283 -7.051 0.731) 7.204 9.241 ( 16.859 -3.202 -2.470) 17.337 10.183 ( -17.771 22.665 -2.494) 28.909 10.515 ( 0.765 3.907 2.827) 4.883 11.458 ( 21.347 7.722 -3.704) 23.001 13.869 ( -2.651 -11.209 6.064) 13.017 15.272 ( -8.209 -0.741 -11.791) 14.386======================= Grid point 754 (281/580) =======================q-point: ( 0.39 0.28 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.543 ( 7.086 15.409 9.081) 19.239 3.043 ( 16.988 25.078 6.301) 30.939 4.589 ( 6.134 9.039 -5.176) 12.088 4.800 ( 11.120 26.567 -6.175) 29.455 5.737 ( 5.665 24.489 4.113) 25.470 7.108 ( -1.516 -4.940 2.031) 5.552 9.571 ( 23.839 -1.824 -1.941) 23.988 10.103 ( -15.162 21.555 -3.394) 26.571 10.520 ( -0.821 -1.861 5.594) 5.952 11.924 ( 22.986 6.997 -4.955) 24.533 13.733 ( -3.894 -8.693 7.884) 12.365 15.045 ( -12.128 -0.642 -11.263) 16.564======================= Grid point 755 (282/580) =======================q-point: ( 0.44 0.28 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.849 ( 9.565 12.965 2.984) 16.386 3.592 ( 15.278 25.108 4.672) 29.760 4.763 ( 5.197 9.957 -5.419) 12.471 5.206 ( 13.791 16.836 -7.807) 23.121 6.089 ( 6.978 20.618 4.423) 22.212 7.056 ( -1.142 -3.038 4.329) 5.410 9.887 ( 1.296 10.985 1.734) 11.196 10.166 ( 13.827 6.701 -5.554) 16.339 10.520 ( -0.091 -0.052 5.940) 5.941 12.280 ( 15.219 1.651 -9.600) 18.069 13.639 ( -2.891 -4.076 11.094) 12.167 14.794 ( -11.360 -0.909 -9.642) 14.928======================= Grid point 756 (283/580) =======================q-point: ( 0.50 0.28 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.135 ( 10.337 9.480 -1.691) 14.128 4.075 ( 10.142 25.171 3.279) 27.335 4.923 ( 3.427 11.068 -4.998) 12.618 5.542 ( 12.841 10.066 -8.518) 18.406 6.396 ( 7.266 13.614 3.851) 15.905 7.039 ( -0.168 -2.094 6.712) 7.033 9.930 ( -8.161 15.952 2.693) 18.120 10.521 ( 6.173 2.085 2.735) 7.067 10.601 ( 20.518 0.173 -3.390) 20.796 12.404 ( 4.367 -1.121 -13.028) 13.786 13.629 ( -1.111 -0.078 11.817) 11.869 14.594 ( -6.460 -2.528 -6.376) 9.422======================= Grid point 757 (284/580) =======================q-point: ( 0.56 0.28 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.371 ( 9.545 5.749 -4.474) 12.008 4.450 ( 3.700 24.592 2.312) 24.976 5.067 ( 1.814 11.973 -3.668) 12.653 5.778 ( 8.546 6.725 -9.558) 14.478 6.628 ( 6.376 6.775 3.253) 9.856 7.049 ( 1.589 -3.694 8.769) 9.647 9.983 ( -5.883 17.472 2.095) 18.554 10.552 ( 0.660 -2.533 2.562) 3.662 11.004 ( 21.982 1.484 -5.764) 22.773 12.375 ( -2.487 3.524 -11.360) 12.151 13.645 ( -1.873 0.224 8.248) 8.461 14.486 ( 0.147 -5.575 -2.284) 6.026======================= Grid point 758 (285/580) =======================q-point: ( 0.61 0.28 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.543 ( 7.726 2.506 -5.400) 9.754 4.700 ( -2.687 22.871 1.782) 23.097 5.197 ( -0.361 13.424 -1.859) 13.557 5.914 ( 5.026 5.028 -10.400) 12.597 6.744 ( 1.016 1.338 0.712) 1.825 7.091 ( 5.667 -6.838 11.848) 14.807 10.065 ( -7.731 19.802 -0.951) 21.279 10.521 ( 2.553 -9.385 0.415) 9.734 11.306 ( 13.615 1.668 -6.314) 15.100 12.363 ( -3.816 12.491 -6.575) 14.622 13.617 ( -2.417 -2.615 4.752) 5.938 14.459 ( 4.619 -8.447 0.336) 9.633======================= Grid point 759 (286/580) =======================q-point: ( 0.67 0.28 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.648 ( 5.035 0.063 -5.092) 7.161 4.823 ( -8.373 20.042 1.372) 21.764 5.300 ( -4.080 15.305 -0.023) 15.839 5.994 ( 4.143 3.356 -11.382) 12.569 6.711 ( -2.607 -3.462 0.124) 4.336 7.164 ( 5.913 -8.962 12.721) 16.647 10.043 ( -12.478 11.238 -4.969) 17.512 10.499 ( 2.527 -2.389 -0.960) 3.608 11.476 ( 8.177 0.290 -5.530) 9.876 12.431 ( -5.445 18.466 -2.849) 19.461 13.554 ( -0.876 -6.604 3.076) 7.338 14.469 ( 6.660 -9.780 1.188) 11.892======================= Grid point 760 (287/580) =======================q-point: (-0.28 0.28 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.677 ( 0.925 -1.700 -4.378) 4.787 4.818 ( -13.883 16.626 0.780) 21.674 5.351 ( -8.509 16.074 1.201) 18.227 6.048 ( 4.194 1.062 -12.971) 13.673 6.624 ( -1.886 -5.723 2.299) 6.449 7.172 ( 0.964 -10.650 11.633) 15.801 9.867 ( -10.928 0.635 -5.037) 12.050 10.525 ( -5.169 11.508 -3.417) 13.070 11.562 ( 5.581 -4.309 -4.127) 8.170 12.491 ( -8.156 18.711 -2.247) 20.534 13.486 ( 0.513 -8.511 2.725) 8.951 14.505 ( 8.307 -9.292 1.536) 12.558======================= Grid point 761 (288/580) =======================q-point: (-0.22 0.28 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.608 ( -5.027 -2.809 -3.635) 6.810 4.678 ( -19.627 12.733 0.184) 23.396 5.331 ( -11.888 14.323 1.086) 18.645 6.055 ( 1.992 -2.148 -13.778) 14.086 6.576 ( 1.376 -4.405 4.552) 6.482 7.054 ( -6.395 -11.503 10.204) 16.653 9.700 ( -6.002 -0.816 -2.149) 6.427 10.507 ( -12.061 17.723 -4.987) 22.010 11.516 ( -2.267 -10.220 -2.918) 10.868 12.531 ( -4.430 15.268 -4.972) 16.657 13.414 ( -1.274 -7.431 3.910) 8.493 14.587 ( 10.385 -7.437 1.713) 12.887======================= Grid point 762 (289/580) =======================q-point: (-0.17 0.28 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.422 ( -12.061 -2.871 -2.615) 12.671 4.400 ( -25.049 8.411 -0.016) 26.424 5.235 ( -13.281 9.873 -0.178) 16.550 5.968 ( -3.796 -3.733 -11.270) 12.464 6.605 ( 2.367 -3.070 1.933) 4.332 6.810 ( -11.571 -9.497 10.524) 18.299 9.651 ( -0.121 1.877 1.632) 2.491 10.438 ( -14.512 18.430 -5.101) 24.006 11.256 ( -11.853 -15.001 -2.098) 19.233 12.614 ( 0.291 12.402 -9.839) 15.834 13.320 ( -3.745 -6.050 7.282) 10.181 14.722 ( 12.028 -5.450 1.041) 13.246======================= Grid point 763 (290/580) =======================q-point: (-0.11 0.28 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.129 ( -18.590 -1.425 -0.851) 18.664 3.994 ( -29.346 4.085 0.408) 29.632 5.077 ( -12.699 4.327 -1.579) 13.509 5.772 ( -12.566 -1.809 -7.975) 14.993 6.363 ( -19.740 -8.027 3.635) 21.617 6.788 ( 6.468 -0.309 5.573) 8.544 9.728 ( 3.094 4.614 4.133) 6.924 10.357 ( -12.090 15.511 -4.055) 20.080 10.839 ( -16.413 -16.599 -1.922) 23.422 12.664 ( -6.076 11.857 -12.369) 18.180 13.257 ( 1.248 -5.522 10.407) 11.847 14.885 ( 12.249 -4.532 -1.131) 13.110======================= Grid point 771 (291/580) =======================q-point: ( 0.33 0.33 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.436 ( -0.000 16.471 13.118) 21.056 2.671 ( -0.000 25.412 7.034) 26.368 4.434 ( 0.000 5.533 -3.584) 6.593 4.642 ( 0.000 34.696 -7.102) 35.415 5.654 ( -0.000 28.019 3.253) 28.207 7.137 ( -0.000 -5.655 1.613) 5.880 9.061 ( 0.000 -1.306 -2.640) 2.945 10.509 ( -0.000 7.022 1.391) 7.158 10.648 ( -0.000 16.345 1.993) 16.466 11.288 ( 0.000 7.877 -3.937) 8.807 13.801 ( -0.000 -10.281 5.485) 11.652 15.288 ( 0.000 -2.286 -11.285) 11.514======================= Grid point 772 (292/580) =======================q-point: ( 0.39 0.33 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.651 ( 2.232 15.575 8.360) 17.817 3.046 ( 11.828 23.897 5.867) 27.302 4.533 ( 5.828 6.271 -3.149) 9.122 4.934 ( 2.440 25.765 -9.987) 27.741 5.964 ( 1.243 28.787 4.059) 29.098 7.094 ( -0.750 -3.151 3.158) 4.524 9.186 ( 15.850 -0.692 -2.557) 16.070 10.539 ( -2.948 -3.984 7.727) 9.180 10.609 ( -16.194 21.259 -2.156) 26.811 11.597 ( 20.858 8.116 -4.795) 22.889 13.717 ( -1.369 -7.619 6.012) 9.802 15.162 ( -7.051 -2.521 -10.517) 12.911======================= Grid point 773 (293/580) =======================q-point: ( 0.44 0.33 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.873 ( 4.473 13.511 3.229) 14.594 3.552 ( 17.441 22.310 4.642) 28.696 4.719 ( 8.412 7.930 -3.753) 12.155 5.177 ( 5.603 16.942 -9.283) 20.115 6.266 ( 1.147 24.545 2.952) 24.749 7.074 ( -1.297 -0.192 5.062) 5.229 9.538 ( 25.473 -0.016 -2.055) 25.555 10.372 ( -11.326 -0.794 8.137) 13.968 10.638 ( -6.072 16.932 -2.209) 18.123 11.981 ( 18.453 2.865 -6.804) 19.875 13.659 ( -1.046 -3.993 7.622) 8.668 14.948 ( -10.838 -2.094 -9.052) 14.276======================= Grid point 774 (294/580) =======================q-point: ( 0.50 0.33 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.088 ( 6.184 10.476 -0.931) 12.201 4.082 ( 16.935 21.288 3.544) 27.432 4.930 ( 6.803 10.401 -5.169) 13.460 5.412 ( 9.772 9.691 -6.619) 15.271 6.494 ( 0.815 16.345 1.953) 16.481 7.076 ( -2.089 2.174 6.181) 6.877 9.993 ( 23.455 1.271 2.352) 23.607 10.257 ( -0.842 -0.429 4.325) 4.427 10.683 ( -6.731 15.399 -3.388) 17.144 12.223 ( 11.524 0.240 -8.951) 14.594 13.656 ( 0.404 -1.622 8.859) 9.015 14.708 ( -11.045 -2.101 -6.747) 13.112======================= Grid point 775 (295/580) =======================q-point: ( 0.56 0.33 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.280 ( 6.826 7.095 -3.459) 10.435 4.555 ( 12.244 20.845 2.765) 24.332 5.114 ( 4.129 11.591 -5.612) 13.523 5.652 ( 10.936 6.302 -5.325) 13.699 6.641 ( 1.925 7.785 2.934) 8.539 7.072 ( -3.358 1.474 5.745) 6.816 10.151 ( -0.327 1.044 11.434) 11.487 10.567 ( 25.439 0.565 -6.712) 26.316 10.678 ( -7.028 13.305 -3.887) 15.542 12.349 ( 5.436 3.836 -8.951) 11.153 13.681 ( 0.354 -1.830 8.002) 8.216 14.496 ( -7.940 -3.751 -3.811) 9.572======================= Grid point 776 (296/580) =======================q-point: ( 0.61 0.33 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.436 ( 6.458 4.058 -4.327) 8.769 4.919 ( 4.805 20.786 2.314) 21.460 5.271 ( 3.717 10.981 -4.447) 12.417 5.853 ( 6.803 6.626 -6.267) 11.378 6.741 ( 2.658 1.702 3.569) 4.764 7.026 ( -2.699 -3.340 6.064) 7.430 10.240 ( 4.568 3.089 8.929) 10.494 10.538 ( -10.686 2.662 -6.982) 13.039 11.033 ( 20.038 6.925 -5.074) 21.800 12.460 ( 2.875 10.876 -6.709) 13.098 13.663 ( -2.641 -3.134 5.534) 6.886 14.345 ( -2.194 -7.494 -0.877) 7.857======================= Grid point 777 (297/580) =======================q-point: ( 0.67 0.33 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.551 ( 5.267 1.782 -4.083) 6.899 5.131 ( -3.767 18.986 1.343) 19.403 5.442 ( 4.178 11.999 -1.753) 12.826 5.965 ( 1.385 6.784 -7.791) 10.423 6.746 ( -3.851 -1.325 -0.094) 4.073 7.000 ( 5.010 -9.810 10.093) 14.940 10.308 ( -13.744 -0.557 -6.576) 15.246 10.422 ( 8.561 4.694 5.777) 11.345 11.345 ( 9.741 7.576 -6.404) 13.903 12.623 ( 2.021 16.308 -3.542) 16.810 13.563 ( -5.580 -5.384 3.140) 8.366 14.268 ( 3.864 -11.124 1.049) 11.823======================= Grid point 778 (298/580) =======================q-point: (-0.28 0.33 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.621 ( 3.009 0.333 -3.489) 4.619 5.185 ( -9.722 15.190 0.319) 18.037 5.617 ( -0.619 15.602 1.419) 15.679 5.988 ( -0.970 3.529 -9.781) 10.444 6.624 ( -4.792 -5.160 -0.152) 7.043 7.036 ( 6.045 -11.626 10.153) 16.577 10.036 ( -13.017 -2.860 -4.163) 13.963 10.645 ( 6.719 9.754 1.764) 11.974 11.471 ( 0.940 4.527 -7.005) 8.393 12.788 ( -3.502 18.453 -1.253) 18.824 13.415 ( -3.151 -8.740 1.853) 9.473 14.262 ( 8.102 -11.680 1.650) 14.311======================= Grid point 779 (299/580) =======================q-point: (-0.22 0.33 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.630 ( -0.880 -0.304 -2.978) 3.120 5.101 ( -15.356 10.922 -0.238) 18.845 5.696 ( -11.252 16.675 2.852) 20.317 5.958 ( 1.831 -1.517 -11.460) 11.705 6.525 ( -0.220 -5.517 2.073) 5.897 7.018 ( 1.058 -11.291 8.307) 14.057 9.808 ( -9.508 -1.408 -0.420) 9.621 10.826 ( -1.086 15.772 -2.067) 15.943 11.428 ( -3.193 -4.548 -6.236) 8.352 12.813 ( -11.339 13.974 -1.778) 18.083 13.339 ( 2.524 -7.116 2.691) 8.016 14.327 ( 10.868 -8.997 1.369) 14.175======================= Grid point 780 (300/580) =======================q-point: (-0.17 0.33 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.558 ( -6.423 0.062 -2.419) 6.864 4.870 ( -21.111 5.695 -0.342) 21.869 5.567 ( -15.529 5.674 -1.304) 16.585 5.958 ( -0.248 3.547 -7.769) 8.544 6.525 ( 3.682 -3.187 3.042) 5.741 6.901 ( -5.645 -9.282 6.971) 12.908 9.698 ( -3.835 1.460 3.744) 5.555 10.884 ( -12.521 21.174 -4.337) 24.978 11.231 ( -5.913 -15.492 -4.923) 17.298 12.740 ( -6.424 8.087 -4.931) 11.445 13.332 ( -0.236 -3.462 5.542) 6.539 14.461 ( 12.297 -5.287 0.227) 13.387======================= Grid point 781 (301/580) =======================q-point: (-0.11 0.33 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.396 ( -12.609 1.686 -1.415) 12.800 4.494 ( -25.864 0.281 0.092) 25.866 5.318 ( -14.030 -1.852 -2.930) 14.452 5.932 ( -6.862 7.229 -6.394) 11.842 6.538 ( -4.444 -3.003 0.112) 5.364 6.747 ( -2.663 -3.891 8.796) 9.980 9.722 ( 1.364 2.812 6.740) 7.429 10.766 ( -18.247 7.229 -2.599) 19.798 10.937 ( -10.694 -5.028 -5.572) 13.065 12.746 ( 1.154 6.375 -9.204) 11.256 13.285 ( -4.302 -3.037 9.812) 11.136 14.630 ( 12.107 -2.948 -2.001) 12.621======================= Grid point 790 (302/580) =======================q-point: ( 0.39 0.39 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.809 ( -0.000 14.563 5.821) 15.683 3.187 ( -0.000 22.445 4.753) 22.942 4.531 ( 0.000 6.096 -2.053) 6.432 5.109 ( 0.000 20.106 -11.225) 23.027 6.255 ( -0.000 28.152 2.580) 28.270 7.100 ( -0.000 0.472 5.005) 5.027 9.039 ( 0.000 0.717 -2.297) 2.406 10.553 ( -0.000 -4.686 9.437) 10.536 10.977 ( -0.000 15.626 1.397) 15.688 11.437 ( 0.000 9.483 -7.757) 12.252 13.683 ( -0.000 -4.841 5.138) 7.059 15.157 ( 0.000 -3.553 -9.762) 10.389======================= Grid point 791 (303/580) =======================q-point: ( 0.44 0.39 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.969 ( 1.146 12.835 2.324) 13.093 3.516 ( 11.530 20.142 3.701) 23.502 4.643 ( 6.397 6.397 -1.737) 9.212 5.252 ( 1.115 14.624 -9.873) 17.680 6.506 ( -0.602 21.532 0.240) 21.542 7.141 ( -1.195 5.838 6.650) 8.929 9.177 ( 15.203 1.280 -1.956) 15.382 10.484 ( -5.259 -8.037 12.799) 16.002 10.989 ( -11.325 18.494 -3.001) 21.893 11.684 ( 16.791 4.515 -6.315) 18.499 13.664 ( -0.476 -1.640 5.145) 5.421 15.037 ( -5.924 -3.434 -8.436) 10.865======================= Grid point 792 (304/580) =======================q-point: ( 0.50 0.39 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.118 ( 2.448 10.488 -0.663) 10.791 3.975 ( 17.955 17.734 2.847) 25.397 4.851 ( 10.219 7.470 -2.618) 12.926 5.379 ( 3.170 9.788 -6.673) 12.263 6.653 ( -1.414 12.215 -0.470) 12.306 7.207 ( -3.547 10.064 6.200) 12.341 9.543 ( 25.539 1.727 -1.485) 25.641 10.335 ( -6.721 -7.875 12.956) 16.585 10.990 ( -9.150 18.433 -5.329) 21.258 11.970 ( 15.386 1.227 -5.654) 16.437 13.668 ( -0.339 -0.113 5.433) 5.445 14.845 ( -9.527 -2.774 -6.482) 11.853======================= Grid point 793 (305/580) =======================q-point: ( 0.56 0.39 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.255 ( 3.606 7.793 -2.370) 8.907 4.469 ( 18.668 15.686 2.277) 24.489 5.098 ( 9.152 9.813 -4.560) 14.172 5.524 ( 7.470 5.397 -2.917) 9.666 6.711 ( -1.330 4.897 1.047) 5.181 7.235 ( -6.911 9.395 3.858) 12.284 10.032 ( 26.775 1.691 1.729) 26.884 10.226 ( -0.131 -5.992 7.947) 9.954 10.975 ( -10.249 15.306 -5.728) 19.290 12.209 ( 12.296 3.841 -5.553) 14.027 13.677 ( -0.169 -1.522 5.430) 5.641 14.624 ( -10.870 -2.523 -4.243) 11.939======================= Grid point 794 (306/580) =======================q-point: ( 0.61 0.39 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.378 ( 4.210 5.211 -2.795) 7.259 4.920 ( 15.584 14.105 2.121) 21.127 5.300 ( 4.000 10.955 -5.307) 12.813 5.731 ( 11.730 4.171 -1.664) 12.560 6.724 ( 0.046 -1.011 3.491) 3.635 7.172 ( -10.093 5.293 1.546) 11.501 10.183 ( 2.868 -4.193 11.069) 12.179 10.516 ( 18.831 -0.577 -6.617) 19.968 10.942 ( -3.862 13.976 -3.055) 14.818 12.442 ( 9.238 10.111 -5.420) 14.729 13.659 ( -0.454 -4.863 5.029) 7.011 14.400 ( -10.296 -3.696 -2.217) 11.162======================= Grid point 795 (307/580) =======================q-point: ( 0.67 0.39 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.482 ( 4.183 3.149 -2.446) 5.779 5.288 ( 9.246 14.256 2.717) 17.208 5.426 ( 2.961 7.810 -4.369) 9.426 5.960 ( 7.947 7.472 -3.787) 11.547 6.725 ( 2.531 -6.316 5.339) 8.649 7.014 ( -11.062 -0.262 0.739) 11.090 10.280 ( 8.230 -2.185 6.594) 10.770 10.510 ( -9.171 -1.184 -5.982) 11.013 11.219 ( 14.794 12.403 -2.023) 19.411 12.687 ( 6.562 15.127 -4.472) 17.085 13.594 ( -2.134 -7.308 4.016) 8.607 14.191 ( -6.889 -7.044 -0.532) 9.867======================= Grid point 796 (308/580) =======================q-point: ( 0.72 0.39 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.565 ( 3.440 1.839 -1.966) 4.368 5.439 ( -4.834 10.675 -0.063) 11.719 5.627 ( 10.669 7.682 -0.460) 13.155 6.089 ( -1.735 9.938 -4.725) 11.140 6.687 ( -4.448 -4.840 -0.145) 6.575 6.854 ( 0.451 -9.820 6.265) 11.657 10.245 ( -14.087 0.152 -1.838) 14.208 10.497 ( 13.282 -1.555 1.412) 13.447 11.514 ( 5.221 11.525 -3.659) 13.171 12.927 ( 4.779 15.303 -1.799) 16.133 13.459 ( -7.142 -6.434 1.602) 9.746 14.050 ( 1.651 -10.900 1.056) 11.074======================= Grid point 797 (309/580) =======================q-point: (-0.22 0.39 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.619 ( 1.591 1.379 -1.746) 2.735 5.398 ( -9.479 5.740 -0.416) 11.090 5.847 ( 6.675 4.690 -3.381) 8.830 6.067 ( -10.599 10.647 0.335) 15.027 6.517 ( -5.849 -4.336 -2.429) 7.675 6.859 ( 6.832 -11.361 6.610) 14.813 10.009 ( -13.421 1.829 1.756) 13.659 10.735 ( 14.884 -0.899 -2.677) 15.150 11.575 ( -8.144 8.528 -4.184) 12.512 13.111 ( -3.081 13.004 1.040) 13.404 13.252 ( -5.063 -7.741 -0.349) 9.257 14.060 ( 10.004 -8.387 1.254) 13.115======================= Grid point 798 (310/580) =======================q-point: (-0.17 0.39 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.629 ( -1.774 1.862 -1.739) 3.105 5.213 ( -15.466 -0.025 -0.415) 15.471 5.780 ( -9.662 -6.124 -7.239) 13.537 6.081 ( -5.011 15.779 2.972) 16.820 6.446 ( 2.309 -3.119 1.028) 4.014 6.863 ( 2.169 -7.919 3.825) 9.057 9.857 ( -9.310 4.617 5.829) 11.915 10.927 ( 10.845 -4.961 -6.769) 13.712 11.408 ( -16.863 6.982 -2.818) 18.467 12.943 ( -13.159 -0.123 -3.215) 13.546 13.297 ( 4.189 0.590 4.782) 6.385 14.210 ( 12.353 -2.080 -0.057) 12.527======================= Grid point 799 (311/580) =======================q-point: (-0.11 0.39 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.579 ( -6.479 3.363 -1.609) 7.475 4.870 ( -20.849 -5.721 -0.156) 21.621 5.484 ( -12.757 -8.168 -4.480) 15.797 6.125 ( -6.257 12.494 -4.236) 14.601 6.512 ( 4.285 0.189 5.146) 6.699 6.801 ( -3.306 -4.062 3.208) 6.142 9.818 ( -4.707 5.770 8.802) 11.529 10.849 ( -5.272 -17.535 -5.937) 19.249 11.243 ( -12.738 16.349 -3.865) 21.083 12.756 ( -4.373 -2.797 -5.406) 7.494 13.355 ( -0.772 0.743 7.161) 7.241 14.412 ( 11.365 1.501 -1.851) 11.612======================= Grid point 809 (312/580) =======================q-point: ( 0.44 0.44 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.087 ( -0.000 11.353 0.755) 11.378 3.612 ( -0.000 17.756 2.507) 17.932 4.642 ( 0.000 5.885 -0.666) 5.923 5.342 ( 0.000 11.344 -8.415) 14.125 6.683 ( 0.000 13.224 -1.681) 13.330 7.273 ( -0.000 13.115 6.875) 14.807 9.056 ( 0.000 2.074 -1.350) 2.475 10.497 ( -0.000 -8.632 14.509) 16.882 11.275 ( -0.000 13.497 0.670) 13.513 11.525 ( 0.000 5.416 -9.333) 10.790 13.681 ( -0.000 1.149 3.721) 3.894 15.023 ( 0.000 -3.887 -7.379) 8.340======================= Grid point 810 (313/580) =======================q-point: ( 0.50 0.44 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.194 ( 0.400 9.578 -0.627) 9.607 3.882 ( 11.479 14.889 1.647) 18.873 4.756 ( 6.764 5.691 -0.650) 8.863 5.421 ( 0.680 8.465 -5.640) 10.195 6.763 ( -1.042 6.652 -1.449) 6.887 7.415 ( -2.962 15.307 4.680) 16.279 9.205 ( 14.881 2.354 -0.865) 15.091 10.406 ( -5.518 -9.233 15.057) 18.504 11.286 ( -8.411 13.714 -4.047) 16.589 11.711 ( 14.172 2.758 -4.629) 15.162 13.705 ( -0.846 2.411 2.943) 3.897 14.920 ( -4.994 -3.392 -5.762) 8.346======================= Grid point 811 (314/580) =======================q-point: ( 0.56 0.44 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.288 ( 1.061 7.617 -1.154) 7.776 4.284 ( 18.444 12.053 1.189) 22.066 4.972 ( 11.787 6.071 -1.716) 13.369 5.498 ( 1.903 5.811 -2.314) 6.538 6.779 ( -1.988 2.667 -0.321) 3.342 7.483 ( -7.000 12.612 1.861) 14.544 9.580 ( 25.442 2.564 -0.779) 25.582 10.261 ( -5.887 -8.463 13.403) 16.909 11.258 ( -8.735 12.172 -5.026) 15.802 11.983 ( 15.705 3.207 -2.749) 16.263 13.709 ( -2.128 1.173 2.503) 3.488 14.757 ( -8.535 -2.476 -3.907) 9.708======================= Grid point 812 (315/580) =======================q-point: ( 0.61 0.44 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.374 ( 1.845 5.596 -0.883) 5.959 4.728 ( 19.780 9.282 1.029) 21.874 5.250 ( 12.442 8.122 -3.626) 15.294 5.596 ( 5.574 2.715 1.003) 6.281 6.749 ( -2.687 -0.689 1.090) 2.981 7.432 ( -11.114 8.083 -0.535) 13.753 10.074 ( 27.566 1.220 -3.641) 27.832 10.159 ( -0.880 -5.713 12.643) 13.902 11.186 ( -9.907 9.323 -3.171) 13.969 12.296 ( 15.940 7.071 -2.802) 17.662 13.665 ( -3.463 -2.314 2.392) 4.803 14.557 ( -10.968 -1.858 -2.337) 11.367======================= Grid point 813 (316/580) =======================q-point: ( 0.67 0.44 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.456 ( 2.446 3.796 -0.304) 4.526 5.132 ( 17.738 6.259 0.852) 18.829 5.476 ( 3.820 9.692 -2.774) 10.781 5.790 ( 14.563 1.796 0.709) 14.691 6.683 ( -2.757 -4.508 2.776) 5.969 7.264 ( -14.422 3.596 -2.184) 15.023 10.141 ( 5.172 -5.991 4.735) 9.223 10.492 ( 12.484 2.025 -1.610) 12.750 11.157 ( 1.124 8.253 1.008) 8.389 12.639 ( 14.171 11.667 -3.500) 18.687 13.562 ( -3.827 -7.229 2.747) 8.629 14.329 ( -12.623 -2.049 -1.388) 12.863======================= Grid point 814 (317/580) =======================q-point: ( 0.72 0.44 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.531 ( 2.713 2.544 0.083) 3.720 5.449 ( 13.158 1.675 -1.358) 13.333 5.583 ( 0.555 8.586 2.624) 8.996 6.080 ( 12.881 6.497 -3.541) 14.855 6.593 ( -0.643 -9.474 4.929) 10.699 7.009 ( -15.883 0.136 -2.864) 16.140 10.238 ( 11.440 -5.656 0.120) 12.763 10.490 ( -10.820 3.560 0.131) 11.391 11.421 ( 15.126 6.779 1.940) 16.689 12.964 ( 8.779 14.907 -3.925) 17.740 13.428 ( -1.137 -11.748 3.393) 12.281 14.083 ( -12.194 -2.859 -0.872) 12.555======================= Grid point 815 (318/580) =======================q-point: (-0.22 0.44 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.598 ( 2.409 2.089 0.019) 3.188 5.520 ( -1.846 -1.509 -1.314) 2.722 5.758 ( 7.452 4.029 2.430) 8.813 6.265 ( -0.596 9.422 -2.833) 9.857 6.545 ( 4.964 -9.801 2.589) 11.287 6.740 ( -10.859 -2.959 -0.880) 11.289 10.283 ( -10.520 1.275 1.488) 10.701 10.436 ( 11.038 -1.216 -1.808) 11.251 11.674 ( 5.405 4.151 0.481) 6.832 13.149 ( 0.877 6.235 -0.826) 6.350 13.341 ( -1.121 -6.058 0.708) 6.201 13.912 ( -1.983 -1.231 -0.050) 2.334======================= Grid point 816 (319/580) =======================q-point: (-0.17 0.44 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.651 ( 1.097 2.519 -0.457) 2.785 5.387 ( -8.831 -6.554 -0.385) 11.004 5.804 ( -3.115 -5.349 -3.104) 6.925 6.319 ( -0.434 7.992 9.126) 12.138 6.448 ( -8.261 1.847 -7.071) 11.030 6.709 ( 7.902 -5.509 1.336) 9.725 10.131 ( -12.343 6.930 6.829) 15.717 10.612 ( 13.848 -6.951 -7.293) 17.125 11.673 ( -7.546 1.667 -0.373) 7.737 13.102 ( -8.688 -7.927 -1.876) 11.910 13.271 ( 0.737 2.476 2.688) 3.729 14.025 ( 9.831 5.528 -0.228) 11.280======================= Grid point 817 (320/580) =======================q-point: (-0.11 0.44 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.677 ( -1.556 3.778 -1.097) 4.230 5.089 ( -14.943 -11.720 -0.195) 18.992 5.575 ( -10.505 -10.687 -3.294) 15.343 6.330 ( -6.846 6.501 -8.122) 12.454 6.480 ( 4.640 5.746 12.831) 14.805 6.776 ( 3.189 -1.439 -1.600) 3.846 10.048 ( -9.896 8.057 9.951) 16.182 10.662 ( 5.625 -13.266 -8.716) 16.840 11.539 ( -9.243 5.718 -1.636) 10.991 12.814 ( -10.754 -9.816 -3.342) 14.939 13.363 ( 3.585 2.326 4.578) 6.262 14.269 ( 9.975 7.828 -1.041) 12.723======================= Grid point 828 (321/580) =======================q-point: ( 0.50 0.50 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.278 ( 0.000 8.232 -0.372) 8.240 3.917 ( -0.000 11.953 0.642) 11.971 4.747 ( -0.000 4.738 0.030) 4.738 5.475 ( 0.000 6.765 -3.407) 7.575 6.817 ( 0.000 3.609 -1.420) 3.878 7.608 ( -0.000 14.887 2.129) 15.039 9.097 ( -0.000 2.422 -0.012) 2.422 10.418 ( -0.000 -9.711 15.930) 18.656 11.511 ( -0.000 9.966 0.018) 9.966 11.551 ( 0.000 3.732 -7.451) 8.333 13.753 ( -0.000 3.677 1.431) 3.946 14.911 ( 0.000 -3.217 -4.533) 5.558======================= Grid point 829 (322/580) =======================q-point: ( 0.56 0.50 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.351 ( -0.088 6.745 0.339) 6.754 4.124 ( 11.599 8.927 0.149) 14.638 4.851 ( 7.038 3.947 -0.307) 8.075 5.531 ( 0.426 5.214 -0.738) 5.283 6.827 ( -1.342 1.683 -1.050) 2.396 7.706 ( -4.338 11.304 -0.431) 12.115 9.251 ( 14.797 2.287 0.411) 14.978 10.323 ( -5.338 -9.389 14.572) 18.138 11.473 ( -6.222 8.382 -3.982) 11.173 11.754 ( 12.820 3.616 -1.592) 13.415 13.775 ( -2.018 2.907 0.547) 3.581 14.832 ( -4.364 -2.285 -3.053) 5.795======================= Grid point 830 (323/580) =======================q-point: ( 0.61 0.50 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.413 ( 0.153 5.105 1.320) 5.275 4.466 ( 18.804 5.908 0.005) 19.710 5.060 ( 13.240 3.650 -1.225) 13.788 5.588 ( 0.968 3.638 1.952) 4.240 6.797 ( -2.854 -0.046 -0.537) 2.904 7.676 ( -8.871 6.645 -2.535) 11.370 9.622 ( 24.773 1.705 -0.445) 24.835 10.187 ( -4.732 -7.680 12.297) 15.251 11.419 ( -8.459 7.166 -2.064) 11.277 12.046 ( 17.536 3.680 -0.974) 17.944 13.737 ( -4.686 0.529 0.060) 4.716 14.700 ( -8.020 -1.096 -1.799) 8.292======================= Grid point 831 (324/580) =======================q-point: ( 0.67 0.50 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.468 ( 0.754 3.433 2.111) 4.100 4.850 ( 20.129 2.654 0.052) 20.303 5.360 ( 17.074 4.874 -2.517) 17.933 5.652 ( 2.584 1.247 4.560) 5.388 6.725 ( -4.428 -1.801 0.003) 4.780 7.522 ( -12.764 2.297 -4.009) 13.574 9.982 ( 10.622 -5.983 -2.758) 12.499 10.219 ( 15.975 1.463 10.216) 19.019 11.318 ( -9.292 5.218 1.054) 10.709 12.409 ( 20.002 4.725 -1.098) 20.582 13.623 ( -7.368 -2.473 -0.136) 7.773 14.524 ( -11.261 -0.156 -1.125) 11.318======================= Grid point 832 (325/580) =======================q-point: (-0.28 -0.50 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.522 ( 1.534 2.101 2.366) 3.516 5.185 ( 17.572 -0.907 -0.106) 17.596 5.639 ( 3.967 7.002 1.669) 8.219 5.797 ( 17.835 -2.099 1.371) 18.010 6.611 ( -5.863 -3.376 0.514) 6.785 7.270 ( -15.304 -0.714 -4.714) 16.029 10.014 ( 6.690 -7.182 -1.871) 9.992 10.581 ( 10.581 5.411 4.307) 12.641 11.278 ( 2.442 2.031 4.514) 5.520 12.798 ( 19.942 4.393 -1.178) 20.454 13.443 ( -9.120 -4.489 -0.147) 10.166 14.307 ( -13.831 0.716 -1.006) 13.886======================= Grid point 833 (326/580) =======================q-point: (-0.22 -0.50 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.580 ( 2.258 1.518 2.004) 3.380 5.402 ( 10.152 -5.509 -1.076) 11.600 5.725 ( 1.958 1.587 7.131) 7.563 6.132 ( 19.623 0.474 -3.726) 19.979 6.470 ( -6.309 -3.628 1.402) 7.411 6.974 ( -15.518 -1.188 -4.386) 16.169 10.085 ( 10.893 -6.811 -5.200) 13.860 10.642 ( -10.133 8.408 5.721) 14.356 11.484 ( 15.878 -2.849 4.366) 16.712 13.124 ( 15.094 -6.403 1.121) 16.435 13.259 ( -7.318 2.871 -2.177) 8.157 14.083 ( -12.846 3.636 -0.894) 13.381======================= Grid point 834 (327/580) =======================q-point: (-0.17 -0.50 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.643 ( 2.498 1.857 1.151) 3.318 5.388 ( -1.477 -10.977 -0.542) 11.089 5.766 ( 0.563 -6.310 4.182) 7.591 6.370 ( 0.613 -4.926 7.233) 8.772 6.417 ( 11.010 5.038 -9.197) 15.205 6.726 ( -11.092 2.274 -1.904) 11.481 10.203 ( 11.680 -5.016 -7.071) 14.546 10.537 ( -12.121 6.392 7.176) 15.469 11.660 ( 6.875 -5.921 2.103) 9.314 13.074 ( -0.652 -12.883 3.399) 13.340 13.306 ( -0.678 3.683 -4.120) 5.568 14.024 ( -0.378 10.882 -0.112) 10.889======================= Grid point 835 (328/580) =======================q-point: (-0.11 0.50 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1467Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.706 ( 1.716 2.973 -0.000) 3.432 5.156 ( -9.165 -15.874 -0.000) 18.330 5.608 ( -7.407 -12.829 0.000) 14.814 6.383 ( -0.368 -0.637 -0.000) 0.735 6.551 ( 3.170 5.490 0.000) 6.339 6.702 ( 2.861 4.956 -0.000) 5.722 10.328 ( 3.052 5.285 -0.000) 6.103 10.395 ( -4.737 -8.205 0.000) 9.474 11.645 ( -1.641 -2.842 0.000) 3.281 12.863 ( -8.852 -15.332 -0.000) 17.704 13.342 ( 2.822 4.888 -0.000) 5.645 14.221 ( 7.097 12.292 -0.000) 14.193======================= Grid point 848 (329/580) =======================q-point: ( 0.56 0.56 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.418 ( -0.000 5.443 2.047) 5.816 4.094 ( 0.000 5.916 -0.421) 5.931 4.820 ( 0.000 2.487 -0.219) 2.497 5.576 ( -0.000 4.331 1.480) 4.577 6.848 ( 0.000 0.943 -1.350) 1.647 7.835 ( 0.000 7.696 -2.730) 8.166 9.145 ( -0.000 1.752 1.433) 2.263 10.328 ( -0.000 -9.739 14.172) 17.196 11.594 ( 0.000 4.644 -3.312) 5.704 11.661 ( 0.000 5.253 -0.500) 5.277 13.822 ( 0.000 2.557 -0.566) 2.619 14.842 ( 0.000 -1.405 -1.937) 2.393======================= Grid point 849 (330/580) =======================q-point: ( 0.61 0.56 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.470 ( -0.415 3.802 3.563) 5.227 4.239 ( 11.655 2.852 -0.627) 12.016 4.901 ( 7.405 1.318 -0.618) 7.547 5.625 ( 0.175 3.443 3.828) 5.151 6.835 ( -1.723 0.139 -1.426) 2.241 7.833 ( -4.923 3.088 -4.655) 7.446 9.293 ( 14.537 1.122 1.569) 14.665 10.233 ( -4.615 -8.644 11.848) 15.376 11.594 ( -4.746 5.860 -0.379) 7.551 11.807 ( 11.911 1.949 -0.628) 12.086 13.811 ( -2.993 0.752 -1.242) 3.327 14.794 ( -4.118 -0.053 -0.977) 4.232======================= Grid point 850 (331/580) =======================q-point: (-0.33 -0.44 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.504 ( -0.337 1.918 4.428) 4.837 4.518 ( 18.828 -0.479 -0.685) 18.847 5.096 ( 14.492 0.649 -0.957) 14.538 5.675 ( 0.167 2.464 6.064) 6.547 6.781 ( -3.623 -0.685 -1.495) 3.979 7.701 ( -9.194 -1.354 -6.009) 11.067 9.629 ( 21.567 -0.723 -0.565) 21.587 10.131 ( -0.964 -5.547 10.235) 11.681 11.532 ( -8.609 4.227 2.292) 9.861 12.091 ( 18.899 1.128 -0.011) 18.933 13.724 ( -6.169 -1.295 -1.782) 6.551 14.693 ( -8.068 1.221 -0.504) 8.175======================= Grid point 851 (332/580) =======================q-point: (-0.28 -0.44 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.530 ( 0.474 0.206 4.445) 4.475 4.834 ( 20.127 -4.030 -0.465) 20.532 5.396 ( 20.175 -0.138 -1.291) 20.217 5.718 ( -0.171 1.238 7.940) 8.038 6.688 ( -5.452 -1.175 -1.767) 5.850 7.463 ( -12.120 -4.596 -6.658) 14.572 9.840 ( 6.537 -5.663 -3.669) 9.395 10.313 ( 20.987 1.049 9.074) 22.888 11.410 ( -9.893 1.707 4.887) 11.165 12.448 ( 21.305 -0.546 0.758) 21.325 13.571 ( -8.555 -1.876 -2.460) 9.098 14.539 ( -11.649 2.252 -0.518) 11.876======================= Grid point 852 (333/580) =======================q-point: (-0.22 -0.44 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.560 ( 1.851 -0.744 3.727) 4.228 5.098 ( 16.772 -7.923 -0.153) 18.550 5.709 ( 10.175 -7.925 5.568) 14.048 5.782 ( 11.184 4.924 1.942) 12.373 6.568 ( -6.465 -0.353 -2.340) 6.885 7.171 ( -12.871 -5.530 -6.281) 15.352 9.861 ( 6.046 -5.238 -5.355) 9.626 10.729 ( 15.934 4.829 6.845) 18.002 11.293 ( -2.395 -4.516 6.480) 8.254 12.773 ( 18.125 -5.932 2.273) 19.206 13.408 ( -7.654 1.528 -3.901) 8.725 14.348 ( -13.320 4.086 -0.574) 13.944======================= Grid point 853 (334/580) =======================q-point: (-0.17 -0.44 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.608 ( 3.290 -0.587 2.537) 4.195 5.212 ( 7.766 -13.439 -0.138) 15.522 5.703 ( 0.499 -9.671 7.771) 12.416 6.096 ( 17.379 -0.414 0.038) 17.384 6.471 ( -4.246 3.223 -3.874) 6.590 6.904 ( -10.170 -2.955 -4.156) 11.377 9.927 ( 9.850 -4.193 -7.974) 13.349 10.848 ( -10.649 5.690 8.575) 14.809 11.373 ( 16.363 -10.278 3.939) 19.721 12.904 ( 6.325 -12.417 4.441) 14.626 13.353 ( -1.480 5.046 -6.085) 8.042 14.209 ( -8.396 8.852 0.157) 12.202======================= Grid point 867 (335/580) =======================q-point: (-0.39 -0.39 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.518 ( -0.000 1.801 5.359) 5.654 4.146 ( 0.000 -0.195 -0.908) 0.929 4.839 ( 0.000 -0.234 -0.801) 0.835 5.673 ( -0.000 2.979 6.116) 6.803 6.845 ( 0.000 -0.075 -1.932) 1.934 7.865 ( 0.000 -1.525 -6.610) 6.783 9.181 ( -0.000 0.409 2.697) 2.728 10.230 ( -0.000 -8.342 10.330) 13.278 11.693 ( -0.000 5.758 2.160) 6.150 11.707 ( 0.000 -0.186 -0.940) 0.959 13.833 ( 0.000 -0.850 -2.019) 2.190 14.834 ( 0.000 1.451 -0.259) 1.474======================= Grid point 868 (336/580) =======================q-point: (-0.33 -0.39 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.538 ( -0.527 -0.685 6.174) 6.235 4.227 ( 11.521 -3.552 -1.095) 12.106 4.896 ( 7.866 -1.198 -0.801) 7.997 5.724 ( -0.114 2.360 8.404) 8.730 6.818 ( -1.976 -0.491 -2.349) 3.109 7.760 ( -4.702 -6.217 -8.042) 11.199 9.313 ( 13.688 -0.490 2.413) 13.908 10.150 ( -3.442 -6.389 8.019) 10.815 11.683 ( -3.639 0.213 2.493) 4.416 11.835 ( 10.828 2.602 1.862) 11.290 13.779 ( -3.182 -2.822 -2.697) 5.036 14.819 ( -4.302 2.915 0.050) 5.197======================= Grid point 869 (337/580) =======================q-point: (-0.28 -0.39 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.532 ( -0.145 -3.140 5.876) 6.664 4.436 ( 18.665 -7.159 -1.083) 20.020 5.076 ( 15.009 -1.996 -0.474) 15.148 5.769 ( -0.542 1.346 10.275) 10.377 6.752 ( -3.903 -0.756 -2.862) 4.898 7.539 ( -7.985 -9.892 -8.801) 15.461 9.593 ( 16.590 -2.072 -0.831) 16.740 10.106 ( 4.167 -3.206 7.688) 9.314 11.590 ( -7.476 -2.186 4.721) 9.108 12.112 ( 17.287 1.301 2.895) 17.576 13.657 ( -5.627 -3.735 -3.540) 7.625 14.743 ( -8.609 3.917 -0.061) 9.458======================= Grid point 870 (338/580) =======================q-point: (-0.22 -0.39 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.520 ( 1.480 -4.792 4.763) 6.917 4.684 ( 20.019 -10.788 -0.559) 22.747 5.343 ( 18.706 -4.491 0.059) 19.238 5.801 ( -0.510 0.332 10.810) 10.827 6.656 ( -5.212 -0.258 -3.412) 6.234 7.252 ( -9.120 -11.413 -8.648) 16.977 9.726 ( 4.371 -2.524 -4.842) 6.994 10.372 ( 23.832 -1.049 7.869) 25.120 11.418 ( -9.970 -6.045 6.280) 13.243 12.436 ( 17.639 -0.752 4.118) 18.129 13.507 ( -5.981 -2.522 -4.792) 8.068 14.607 ( -11.820 4.881 -0.205) 12.790======================= Grid point 871 (339/580) =======================q-point: (-0.17 -0.39 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.529 ( 3.907 -5.055 3.241) 7.164 4.868 ( 15.324 -15.333 0.019) 21.678 5.541 ( 9.777 -11.546 3.722) 15.580 5.885 ( 7.902 2.057 6.493) 10.432 6.560 ( -4.762 1.359 -3.649) 6.151 6.973 ( -7.180 -9.470 -7.145) 13.867 9.753 ( 4.447 -1.165 -6.973) 8.352 10.829 ( 24.859 -0.049 6.381) 25.665 11.173 ( -10.310 -12.334 6.349) 17.284 12.686 ( 10.940 -3.498 5.582) 12.771 13.395 ( -2.783 -0.331 -6.665) 7.230 14.460 ( -11.183 7.188 0.383) 13.299======================= Grid point 886 (340/580) =======================q-point: (-0.33 -0.33 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.543 ( -0.000 -4.032 6.925) 8.014 4.069 ( 0.000 -6.908 -1.423) 7.052 4.807 ( 0.000 -2.180 -0.739) 2.301 5.779 ( -0.000 1.830 10.883) 11.036 6.821 ( 0.000 -0.688 -2.964) 3.043 7.682 ( 0.000 -11.364 -9.741) 14.967 9.196 ( -0.000 -1.031 3.551) 3.698 10.150 ( -0.000 -4.997 6.033) 7.834 11.641 ( 0.000 -5.702 -1.386) 5.868 11.847 ( -0.000 5.993 8.265) 10.209 13.757 ( 0.000 -4.915 -3.513) 6.042 14.895 ( -0.000 4.590 0.240) 4.597======================= Grid point 887 (341/580) =======================q-point: (-0.28 -0.33 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.505 ( -0.231 -7.457 6.423) 9.845 4.080 ( 11.447 -10.454 -1.572) 15.582 4.851 ( 8.099 -2.731 -0.253) 8.551 5.828 ( -0.531 0.504 12.884) 12.905 6.784 ( -2.011 -0.820 -3.456) 4.082 7.479 ( -3.648 -15.585 -10.805) 19.312 9.309 ( 12.650 -1.586 2.862) 13.066 10.101 ( -2.496 -2.530 4.408) 5.662 11.591 ( 1.256 -9.088 -0.002) 9.175 11.974 ( 5.448 5.879 9.837) 12.689 13.664 ( -2.562 -6.061 -4.511) 7.978 14.906 ( -4.792 5.689 0.036) 7.438======================= Grid point 888 (342/580) =======================q-point: (-0.22 -0.33 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.442 ( 1.084 -10.051 4.985) 11.272 4.221 ( 18.700 -13.811 -1.196) 23.278 5.016 ( 14.327 -3.845 0.326) 14.837 5.852 ( -1.214 -1.944 13.535) 13.728 6.716 ( -3.637 -0.631 -3.517) 5.098 7.197 ( -5.153 -17.392 -11.116) 21.274 9.554 ( 13.910 -0.894 -0.880) 13.966 10.107 ( 6.192 -1.103 5.175) 8.145 11.466 ( -4.013 -12.866 2.891) 13.784 12.219 ( 12.250 4.906 9.424) 16.216 13.531 ( -3.830 -5.547 -5.818) 8.904 14.843 ( -9.243 6.227 -0.212) 11.147======================= Grid point 889 (343/580) =======================q-point: (-0.17 -0.33 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.392 ( 4.079 -11.008 3.191) 12.165 4.402 ( 19.494 -17.422 -0.445) 26.149 5.229 ( 14.841 -7.264 1.106) 16.560 5.851 ( 0.601 -3.778 11.519) 12.137 6.627 ( -4.084 -1.846 -2.409) 5.088 6.918 ( -3.912 -13.756 -10.525) 17.757 9.686 ( 3.046 1.973 -5.152) 6.302 10.380 ( 23.700 -2.744 6.125) 24.632 11.223 ( -8.138 -17.121 4.278) 19.434 12.516 ( 12.365 4.028 9.389) 16.040 13.396 ( -3.287 -4.376 -7.665) 9.418 14.726 ( -11.341 7.064 0.240) 13.363======================= Grid point 905 (344/580) =======================q-point: (-0.28 -0.28 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.433 ( -0.000 -11.873 6.064) 13.332 3.851 ( 0.000 -13.930 -1.994) 14.071 4.752 ( -0.000 -3.051 0.179) 3.056 5.876 ( -0.000 -1.667 14.788) 14.882 6.781 ( 0.000 -0.889 -3.540) 3.650 7.291 ( 0.000 -20.192 -12.368) 23.679 9.190 ( -0.000 -1.987 3.857) 4.338 10.128 ( -0.000 0.039 2.676) 2.676 11.467 ( 0.000 -10.574 -1.844) 10.733 12.026 ( -0.000 3.750 14.255) 14.740 13.602 ( 0.000 -6.961 -5.658) 8.970 15.011 ( 0.000 6.981 -0.301) 6.987======================= Grid point 906 (345/580) =======================q-point: (-0.22 -0.28 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.318 ( 0.569 -15.432 4.639) 16.125 3.795 ( 11.745 -17.055 -1.761) 20.783 4.790 ( 7.781 -3.536 0.766) 8.581 5.884 ( -0.980 -5.738 14.907) 16.004 6.739 ( -1.910 -3.199 -2.577) 4.531 7.023 ( -1.765 -19.652 -13.324) 23.808 9.295 ( 12.408 -1.731 2.934) 12.867 10.119 ( -2.667 2.389 1.889) 4.048 11.353 ( 0.143 -14.369 -0.879) 14.397 12.152 ( 5.976 2.181 15.554) 16.805 13.500 ( -1.874 -5.690 -6.957) 9.181 15.036 ( -5.282 7.500 -0.761) 9.205======================= Grid point 907 (346/580) =======================q-point: (-0.17 -0.28 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.197 ( 3.378 -17.260 2.701) 17.794 3.879 ( 18.852 -19.836 -0.961) 27.382 4.933 ( 12.498 -5.060 1.137) 13.531 5.830 ( -0.901 -10.460 12.490) 16.316 6.586 ( -1.962 -18.921 -3.998) 19.438 6.834 ( -2.171 -1.961 -9.561) 9.999 9.551 ( 14.938 0.917 -0.385) 14.971 10.140 ( 3.646 1.914 2.958) 5.070 11.149 ( -4.447 -19.844 1.163) 20.370 12.382 ( 12.146 1.548 14.320) 18.841 13.385 ( -3.379 -3.205 -8.423) 9.624 14.979 ( -9.437 7.646 -0.591) 12.160======================= Grid point 924 (347/580) =======================q-point: (-0.22 -0.22 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.152 ( -0.000 -19.871 3.903) 20.250 3.498 ( 0.000 -20.148 -2.092) 20.256 4.692 ( -0.000 -3.493 1.327) 3.736 5.858 ( -0.000 -11.873 13.914) 18.291 6.627 ( 0.000 -22.991 -5.681) 23.683 6.873 ( 0.000 -1.503 -9.354) 9.474 9.174 ( -0.000 -2.100 3.560) 4.133 10.194 ( -0.000 5.373 0.843) 5.439 11.206 ( 0.000 -14.157 -2.194) 14.326 12.142 ( -0.000 -4.932 18.847) 19.482 13.448 ( 0.000 -2.463 -7.750) 8.132 15.157 ( 0.000 8.172 -1.621) 8.331======================= Grid point 925 (348/580) =======================q-point: (-0.17 -0.22 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.962 ( 1.775 -22.599 2.256) 22.780 3.390 ( 12.334 -22.552 -1.391) 25.742 4.723 ( 6.948 -4.028 1.683) 8.206 5.737 ( -0.444 -19.785 10.167) 22.249 6.332 ( -0.105 -28.059 -7.445) 29.031 6.874 ( -1.336 6.053 -4.161) 7.466 9.284 ( 13.156 -1.168 2.567) 13.455 10.221 ( -3.818 6.805 0.646) 7.830 11.023 ( -3.319 -17.960 -1.141) 18.299 12.212 ( 9.456 -8.928 17.893) 22.120 13.401 ( -2.345 2.263 -7.858) 8.507 15.184 ( -5.469 8.185 -2.045) 10.054======================= Grid point 943 (349/580) =======================q-point: (-0.17 -0.17 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.712 ( -0.000 -26.218 1.836) 26.282 3.037 ( 0.000 -25.016 -1.484) 25.060 4.632 ( -0.000 -3.738 2.164) 4.320 5.506 ( -0.000 -32.389 4.132) 32.651 6.040 ( 0.000 -25.438 -4.851) 25.896 6.948 ( 0.000 7.931 -1.388) 8.051 9.160 ( -0.000 -1.330 2.692) 3.003 10.336 ( -0.000 7.924 0.094) 7.924 10.890 ( 0.000 -16.042 -2.226) 16.196 12.047 ( -0.000 -17.280 19.168) 25.808 13.448 ( 0.000 7.412 -6.402) 9.794 15.304 ( 0.000 8.280 -3.473) 8.979======================= Grid point 1040 (350/580) =======================q-point: ( 0.17 0.17 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 570Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.826 ( -0.000 0.000 25.484) 25.484 0.826 ( -0.000 0.000 25.484) 25.484 1.507 ( -0.000 0.000 46.735) 46.735 4.325 ( 0.000 -0.000 -4.961) 4.961 4.325 ( 0.000 -0.000 -4.961) 4.961 8.585 ( 0.000 -0.000 -12.772) 12.772 9.449 ( -0.000 0.000 0.322) 0.322 9.449 ( -0.000 0.000 0.322) 0.322 9.592 ( -0.000 0.000 -0.005) 0.005 9.592 ( 0.000 -0.000 -0.005) 0.005 14.309 ( -0.000 0.000 5.442) 5.442 15.335 ( 0.000 -0.000 -1.105) 1.105======================= Grid point 1041 (351/580) =======================q-point: ( 0.22 0.17 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.152 ( 16.935 9.778 19.895) 27.896 1.239 ( 18.954 10.943 23.317) 31.980 1.881 ( 22.989 13.273 33.432) 42.689 4.348 ( 2.456 1.418 -4.823) 5.594 4.406 ( 9.018 5.206 -5.802) 11.920 7.855 ( -25.775 -14.881 6.176) 30.396 9.321 ( -6.101 -3.522 -0.844) 7.095 9.646 ( 13.771 7.950 0.065) 15.901 9.750 ( 9.267 5.350 0.916) 10.740 10.625 ( 48.240 27.851 -30.847) 63.674 14.293 ( -3.391 -1.958 5.912) 7.092 15.311 ( -2.865 -1.654 -6.286) 7.103======================= Grid point 1042 (352/580) =======================q-point: ( 0.28 0.17 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.650 ( 12.187 7.036 25.065) 28.746 1.657 ( 21.407 12.359 13.855) 28.337 2.734 ( 40.541 23.406 13.377) 48.686 4.401 ( 3.489 2.014 -4.507) 6.045 4.677 ( 15.898 9.179 -4.143) 18.820 7.489 ( -10.617 -6.129 1.909) 12.407 9.199 ( -4.067 -2.348 -1.736) 5.007 9.988 ( 11.153 6.439 1.558) 12.973 9.998 ( 15.685 9.056 -1.678) 18.189 11.361 ( 27.287 15.754 -17.998) 36.286 14.186 ( -7.870 -4.543 7.068) 11.512 15.158 ( -7.168 -4.138 -11.709) 14.339======================= Grid point 1043 (353/580) =======================q-point: ( 0.33 0.17 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.032 ( 15.293 8.830 17.322) 24.737 2.197 ( 22.019 12.712 9.654) 27.196 3.703 ( 40.500 23.383 4.153) 46.949 4.473 ( 4.017 2.319 -4.003) 6.127 5.084 ( 20.013 11.554 -1.271) 23.143 7.306 ( -6.440 -3.718 0.063) 7.437 9.127 ( -1.604 -0.926 -2.396) 3.028 10.266 ( 12.577 7.261 1.977) 14.657 10.292 ( 10.154 5.862 -3.011) 12.105 11.873 ( 22.068 12.741 -4.577) 25.890 13.987 ( -11.718 -6.765 8.532) 15.996 14.939 ( -7.313 -4.222 -15.364) 17.531======================= Grid point 1044 (354/580) =======================q-point: ( 0.39 0.17 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.459 ( 17.858 10.310 8.864) 22.445 2.715 ( 20.702 11.952 6.638) 24.809 4.554 ( 4.054 2.341 -3.279) 5.715 4.571 ( 34.649 20.005 -2.569) 40.092 5.558 ( 20.964 12.103 1.583) 24.258 7.182 ( -4.609 -2.661 1.132) 5.441 9.109 ( 0.773 0.446 -2.834) 2.971 10.451 ( 5.015 2.895 -0.364) 5.802 10.571 ( 13.435 7.757 2.168) 15.664 12.329 ( 18.028 10.408 -3.568) 21.120 13.724 ( -13.626 -7.867 10.693) 19.024 14.748 ( -4.340 -2.506 -15.310) 16.110======================= Grid point 1045 (355/580) =======================q-point: ( 0.44 0.17 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.888 ( 17.680 10.208 1.991) 20.512 3.178 ( 18.034 10.412 4.437) 21.291 4.633 ( 3.659 2.113 -2.326) 4.823 5.243 ( 25.501 14.723 -8.713) 30.707 6.029 ( 19.050 10.998 3.370) 22.253 7.111 ( -2.278 -1.315 4.622) 5.318 9.139 ( 2.611 1.507 -3.111) 4.332 10.553 ( 4.105 2.370 3.932) 6.159 10.886 ( 13.322 7.691 2.150) 15.532 12.596 ( 5.807 3.353 -14.493) 15.969 13.493 ( -8.538 -4.930 15.440) 18.319 14.651 ( -0.207 -0.119 -10.805) 10.808======================= Grid point 1046 (356/580) =======================q-point: ( 0.50 0.17 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.264 ( 15.156 8.750 -2.959) 17.749 3.561 ( 14.392 8.309 2.892) 16.868 4.702 ( 2.893 1.670 -1.205) 3.551 5.671 ( 15.468 8.930 -13.163) 22.187 6.428 ( 14.425 8.328 3.160) 16.954 7.120 ( 1.096 0.633 9.423) 9.508 9.200 ( 3.519 2.032 -3.317) 5.245 10.689 ( 6.451 3.724 6.686) 10.009 11.184 ( 11.859 6.847 1.982) 13.836 12.456 ( -11.021 -6.363 -20.535) 24.159 13.483 ( 2.068 1.194 12.928) 13.147 14.656 ( 2.572 1.485 -4.834) 5.673======================= Grid point 1047 (357/580) =======================q-point: ( 0.56 0.17 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.551 ( 11.235 6.487 -5.841) 14.228 3.850 ( 10.092 5.827 1.903) 11.808 4.755 ( 1.842 1.064 -0.084) 2.129 5.890 ( 8.731 5.041 -14.233) 17.442 6.688 ( 7.461 4.307 0.948) 8.667 7.217 ( 3.570 2.061 13.492) 14.107 9.269 ( 3.321 1.917 -3.513) 5.201 10.892 ( 8.987 5.189 5.990) 11.982 11.430 ( 8.911 5.145 1.751) 10.437 12.059 ( -16.075 -9.281 -18.861) 26.463 13.597 ( 4.067 2.348 6.496) 8.015 14.714 ( 2.883 1.664 -1.078) 3.499======================= Grid point 1048 (358/580) =======================q-point: ( 0.61 0.17 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.736 ( 6.749 3.897 -6.790) 10.336 4.032 ( 5.243 3.027 1.375) 6.208 4.785 ( 0.708 0.409 0.766) 1.120 6.010 ( 6.424 3.709 -13.399) 15.316 6.782 ( 1.209 0.698 -0.634) 1.533 7.343 ( 2.335 1.348 15.312) 15.548 9.321 ( 2.160 1.247 -3.689) 4.453 11.063 ( 1.682 0.971 -3.675) 4.156 11.593 ( 4.695 2.711 1.552) 5.639 11.700 ( -6.866 -3.964 -10.302) 13.000 13.690 ( 2.287 1.321 3.603) 4.468 14.769 ( 2.004 1.157 0.195) 2.323======================= Grid point 1049 (359/580) =======================q-point: (-0.33 0.17 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.811 ( 1.698 0.980 -6.559) 6.846 4.094 ( -0.264 -0.152 1.217) 1.255 4.793 ( -0.220 -0.127 1.052) 1.082 6.108 ( 6.236 3.600 -13.233) 15.065 6.763 ( -2.301 -1.328 0.347) 2.679 7.396 ( -2.760 -1.593 15.195) 15.525 9.339 ( 0.484 0.279 -3.782) 3.823 10.847 ( -13.543 -7.819 -15.850) 22.266 11.649 ( -0.241 -0.139 1.464) 1.491 11.779 ( 11.364 6.561 -0.431) 13.129 13.714 ( -1.387 -0.801 2.838) 3.259 14.811 ( 1.784 1.030 0.762) 2.197======================= Grid point 1050 (360/580) =======================q-point: (-0.28 0.17 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.759 ( -4.550 -2.627 -6.046) 8.010 4.024 ( -6.278 -3.625 1.257) 7.358 4.783 ( -0.918 -0.530 0.689) 1.264 6.198 ( 5.360 3.094 -15.290) 16.495 6.701 ( -3.262 -1.883 4.079) 5.552 7.301 ( -10.129 -5.848 14.145) 18.354 9.318 ( -1.099 -0.634 -3.726) 3.936 10.492 ( -11.547 -6.667 -14.419) 19.639 11.592 ( -5.170 -2.985 1.529) 6.163 12.067 ( 13.183 7.611 -4.508) 15.876 13.640 ( -5.978 -3.451 3.322) 7.660 14.868 ( 3.105 1.793 1.906) 4.061======================= Grid point 1051 (361/580) =======================q-point: (-0.22 0.17 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.555 ( -11.690 -6.749 -5.465) 14.563 3.817 ( -12.190 -7.038 1.260) 14.132 4.755 ( -1.687 -0.974 -0.112) 1.951 6.201 ( -1.545 -0.892 -16.742) 16.837 6.681 ( 0.777 0.449 6.424) 6.486 7.023 ( -18.195 -10.505 13.119) 24.769 9.268 ( -2.046 -1.181 -3.500) 4.222 10.261 ( -4.617 -2.665 -9.704) 11.072 11.429 ( -9.380 -5.416 1.732) 10.969 12.306 ( 9.160 5.288 -12.282) 16.209 13.480 ( -8.423 -4.863 5.805) 11.327 14.973 ( 5.274 3.045 3.433) 6.991======================= Grid point 1052 (362/580) =======================q-point: (-0.17 0.17 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.194 ( -18.202 -10.509 -4.315) 21.456 3.481 ( -17.445 -10.072 1.234) 20.182 4.704 ( -2.551 -1.473 -1.109) 3.147 5.991 ( -12.780 -7.379 -11.909) 18.963 6.555 ( -23.286 -13.444 8.344) 28.153 6.795 ( 4.695 2.711 5.773) 7.919 9.208 ( -2.061 -1.190 -3.138) 3.938 10.221 ( 2.903 1.676 -4.277) 5.434 11.185 ( -12.355 -7.133 2.002) 14.406 12.338 ( -2.990 -1.726 -19.503) 19.806 13.364 ( -2.306 -1.331 8.822) 9.215 15.127 ( 6.898 3.983 4.241) 9.024======================= Grid point 1059 (363/580) =======================q-point: ( 0.22 0.22 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.138 ( -0.000 15.759 20.241) 25.652 1.352 ( -0.000 20.337 24.837) 32.101 2.029 ( -0.000 26.676 32.382) 41.955 4.282 ( 0.000 0.665 -5.808) 5.846 4.434 ( 0.000 12.459 -5.511) 13.623 7.895 ( -0.000 -29.140 4.071) 29.423 9.350 ( 0.000 -7.139 -0.550) 7.160 9.503 ( 0.000 10.179 -1.671) 10.315 9.747 ( -0.000 11.914 0.953) 11.952 10.535 ( 0.000 48.230 -24.511) 54.101 14.312 ( -0.000 -4.057 6.164) 7.379 15.345 ( 0.000 2.524 -6.669) 7.131======================= Grid point 1060 (364/580) =======================q-point: ( 0.28 0.22 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.538 ( 15.829 18.155 15.288) 28.529 1.665 ( 6.186 11.154 27.429) 30.250 2.592 ( 17.405 37.941 16.895) 45.032 4.323 ( 4.896 1.401 -5.493) 7.491 4.603 ( 5.817 15.949 -4.527) 17.570 7.575 ( -8.743 -13.787 2.038) 16.452 9.394 ( -9.661 7.968 -1.458) 12.608 9.523 ( 17.095 -4.917 -1.550) 17.856 10.054 ( 10.749 15.594 0.991) 18.966 11.036 ( 21.179 23.874 -19.696) 37.503 14.250 ( -3.580 -6.882 6.787) 10.307 15.262 ( -8.493 1.529 -10.094) 13.280======================= Grid point 1061 (365/580) =======================q-point: ( 0.33 0.22 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.977 ( 9.326 9.520 22.057) 25.770 2.066 ( 17.594 20.148 11.012) 28.926 3.403 ( 28.291 35.019 5.820) 45.393 4.416 ( 4.969 3.336 -4.896) 7.732 4.921 ( 13.431 16.626 -1.733) 21.444 7.358 ( -5.664 -7.176 -0.082) 9.143 9.289 ( -11.419 11.707 -2.137) 16.492 9.839 ( 24.960 -7.340 -1.839) 26.082 10.339 ( 5.328 12.921 0.323) 13.980 11.566 ( 24.932 13.202 -8.693) 29.521 14.103 ( -7.269 -8.914 8.137) 14.090 15.048 ( -12.167 0.827 -13.240) 18.001======================= Grid point 1062 (366/580) =======================q-point: ( 0.39 0.22 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.331 ( 13.214 10.665 13.351) 21.601 2.596 ( 16.315 21.153 7.664) 27.791 4.223 ( 29.343 25.815 -1.650) 39.117 4.526 ( 4.601 6.773 -3.900) 9.069 5.356 ( 18.071 15.561 1.514) 23.895 7.220 ( -3.807 -4.695 0.168) 6.047 9.230 ( -8.388 12.324 -2.638) 15.140 10.190 ( 22.750 -3.873 -2.183) 23.181 10.506 ( 3.852 6.016 2.422) 7.543 12.072 ( 22.159 9.953 -4.686) 24.740 13.891 ( -10.441 -8.959 10.481) 17.295 14.809 ( -10.142 0.773 -14.744) 17.912======================= Grid point 1063 (367/580) =======================q-point: ( 0.44 0.22 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.716 ( 15.312 10.601 5.314) 19.367 3.084 ( 13.699 20.864 5.180) 25.492 4.599 ( 4.344 5.302 -3.812) 7.843 4.953 ( 24.283 20.157 -6.509) 32.223 5.831 ( 18.809 13.438 3.738) 23.416 7.136 ( -1.896 -3.029 2.612) 4.427 9.226 ( -5.581 12.743 -2.964) 14.224 10.477 ( 10.764 0.932 0.087) 10.804 10.677 ( 13.717 0.472 3.950) 14.282 12.432 ( 12.693 4.582 -11.067) 17.453 13.667 ( -10.713 -5.565 13.836) 18.362 14.644 ( -4.147 0.705 -12.051) 12.764======================= Grid point 1064 (368/580) =======================q-point: ( 0.50 0.22 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.083 ( 14.937 9.022 -0.875) 17.472 3.504 ( 10.197 19.478 3.411) 22.249 4.697 ( 2.121 6.097 -2.385) 6.882 5.447 ( 17.618 12.366 -11.108) 24.222 6.267 ( 16.152 10.244 4.206) 19.584 7.122 ( 1.155 -1.435 6.567) 6.820 9.265 ( -3.605 12.977 -3.178) 13.839 10.620 ( 6.138 0.876 5.559) 8.327 10.982 ( 17.614 1.329 1.196) 17.704 12.471 ( -3.143 -2.639 -19.255) 19.687 13.557 ( -4.254 0.339 14.028) 14.663 14.601 ( 1.864 0.190 -6.019) 6.304======================= Grid point 1065 (369/580) =======================q-point: ( 0.56 0.22 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.389 ( 12.689 6.505 -4.924) 15.085 3.836 ( 6.113 17.295 2.294) 18.487 4.777 ( 0.426 6.645 -1.021) 6.736 5.735 ( 10.592 6.786 -13.126) 18.181 6.591 ( 10.341 6.038 2.697) 12.275 7.193 ( 4.612 -0.539 10.686) 11.651 9.329 ( -2.891 13.022 -3.408) 13.768 10.770 ( 8.819 -0.794 6.316) 10.877 11.277 ( 14.126 2.075 -0.293) 14.280 12.207 ( -14.076 -3.162 -18.869) 23.752 13.592 ( 1.240 1.960 8.323) 8.641 14.647 ( 4.496 -0.899 -1.256) 4.754======================= Grid point 1066 (370/580) =======================q-point: ( 0.61 0.22 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.608 ( 9.376 3.691 -6.814) 12.164 4.068 ( 1.628 14.608 1.705) 14.797 4.834 ( -1.445 6.949 0.135) 7.099 5.888 ( 7.019 4.208 -12.978) 15.343 6.750 ( 3.566 1.527 0.525) 3.915 7.323 ( 5.736 -1.050 13.620) 14.815 9.391 ( -3.550 12.664 -3.682) 13.658 10.910 ( 8.174 -7.030 0.525) 10.794 11.488 ( 9.408 0.671 -2.585) 9.780 11.895 ( -14.716 5.624 -11.166) 19.310 13.663 ( 2.706 0.320 4.505) 5.265 14.709 ( 4.363 -2.153 0.445) 4.886======================= Grid point 1067 (371/580) =======================q-point: ( 0.67 0.22 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.734 ( 5.287 0.867 -7.050) 8.855 4.189 ( -3.356 11.605 1.435) 12.165 4.864 ( -3.269 6.999 0.821) 7.768 5.992 ( 6.126 3.369 -12.749) 14.540 6.771 ( -0.419 -1.605 0.384) 1.703 7.425 ( 2.345 -3.359 14.446) 15.016 9.426 ( -5.069 11.575 -3.893) 13.223 10.820 ( -3.572 -14.885 -11.729) 19.284 11.640 ( 9.201 1.477 -2.182) 9.571 11.796 ( -6.991 13.680 -0.818) 15.385 13.706 ( 1.421 -2.210 3.198) 4.139 14.755 ( 3.890 -2.850 0.696) 4.873======================= Grid point 1068 (372/580) =======================q-point: (-0.28 0.22 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.752 ( -0.096 -2.156 -6.534) 6.881 4.187 ( -9.032 8.364 1.279) 12.376 4.867 ( -4.673 6.777 0.873) 8.278 6.080 ( 5.751 2.697 -13.905) 15.287 6.730 ( -1.757 -3.018 2.631) 4.372 7.411 ( -4.224 -6.812 13.989) 16.123 9.419 ( -6.524 9.836 -3.901) 12.430 10.518 ( -8.355 -11.973 -13.979) 20.213 11.699 ( -4.317 1.263 0.654) 4.546 11.940 ( 8.159 11.684 -3.235) 14.613 13.679 ( -2.020 -4.710 3.214) 6.049 14.802 ( 4.720 -2.571 1.157) 5.497======================= Grid point 1069 (373/580) =======================q-point: (-0.22 0.22 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.634 ( -7.013 -5.391 -5.787) 10.570 4.051 ( -15.112 5.049 1.140) 15.974 4.845 ( -5.667 6.192 0.329) 8.400 6.126 ( 2.806 0.326 -16.084) 16.330 6.692 ( -0.426 -2.399 5.601) 6.108 7.230 ( -12.457 -10.538 13.170) 20.968 9.377 ( -7.198 8.471 -3.552) 11.670 10.260 ( -5.283 -6.409 -10.484) 13.375 11.574 ( -10.112 -1.501 1.342) 10.310 12.179 ( 8.892 8.890 -9.267) 15.620 13.567 ( -5.770 -6.229 4.605) 9.660 14.884 ( 6.850 -1.584 2.147) 7.352======================= Grid point 1070 (374/580) =======================q-point: (-0.17 0.22 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.365 ( -14.352 -8.188 -4.584) 17.147 3.780 ( -20.869 1.960 1.103) 20.990 4.797 ( -6.454 5.202 -0.599) 8.311 6.037 ( -5.281 -4.704 -14.888) 16.482 6.710 ( 0.038 -2.074 3.007) 3.653 6.884 ( -16.931 -11.316 13.875) 24.642 9.325 ( -7.389 8.928 -2.958) 11.960 10.157 ( 1.312 -2.022 -5.356) 5.873 11.341 ( -13.026 -6.205 1.439) 14.499 12.314 ( 1.621 6.339 -16.073) 17.353 13.425 ( -5.006 -5.093 7.570) 10.407 15.018 ( 8.934 -0.708 2.770) 9.380======================= Grid point 1078 (375/580) =======================q-point: ( 0.28 0.28 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.646 ( -0.000 22.637 14.376) 26.816 1.826 ( -0.000 11.116 28.229) 30.338 2.923 ( -0.000 44.677 11.703) 46.184 4.277 ( 0.000 2.805 -5.607) 6.270 4.720 ( 0.000 19.407 -4.009) 19.817 7.507 ( -0.000 -14.600 1.062) 14.638 9.212 ( 0.000 -5.852 -1.621) 6.073 9.800 ( 0.000 20.139 -2.767) 20.328 10.020 ( -0.000 14.473 1.719) 14.575 11.016 ( 0.000 17.859 -13.791) 22.564 14.223 ( -0.000 -9.305 6.717) 11.476 15.326 ( 0.000 1.837 -11.779) 11.922======================= Grid point 1079 (376/580) =======================q-point: ( 0.33 0.28 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.035 ( 8.978 18.139 15.503) 25.495 2.063 ( 7.470 15.842 20.081) 26.646 3.486 ( 10.501 43.091 3.909) 44.524 4.339 ( 5.116 3.882 -5.065) 8.179 4.953 ( 4.865 21.441 -1.677) 22.050 7.351 ( -3.197 -9.649 -0.095) 10.165 9.325 ( 18.082 -6.020 -2.039) 19.167 9.744 ( -17.546 19.988 -2.363) 26.701 10.345 ( 9.075 12.693 0.953) 15.632 11.280 ( 18.022 11.324 -6.866) 22.364 14.117 ( -3.121 -10.984 7.127) 13.460 15.215 ( -9.203 1.491 -13.168) 16.134======================= Grid point 1080 (377/580) =======================q-point: ( 0.39 0.28 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.316 ( 7.102 11.449 16.283) 21.134 2.577 ( 16.133 24.031 8.659) 30.211 4.112 ( 16.476 33.678 -3.013) 37.613 4.480 ( 7.135 6.676 -4.234) 10.649 5.296 ( 10.248 21.212 1.797) 23.626 7.222 ( -2.693 -6.182 0.013) 6.744 9.552 ( -1.715 10.079 -1.449) 10.326 9.743 ( 11.872 5.018 -3.860) 13.454 10.519 ( 2.106 4.669 2.792) 5.834 11.751 ( 24.148 9.590 -3.783) 26.257 13.960 ( -5.390 -10.811 8.749) 14.916 14.986 ( -13.059 1.776 -13.860) 19.126======================= Grid point 1081 (378/580) =======================q-point: ( 0.44 0.28 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.624 ( 10.506 11.317 8.197) 17.482 3.107 ( 14.015 25.096 6.077) 29.379 4.548 ( 7.768 10.629 -6.224) 14.562 4.791 ( 16.969 21.216 -4.947) 27.614 5.714 ( 13.660 18.595 4.151) 23.444 7.138 ( -1.570 -3.987 1.691) 4.606 9.540 ( -11.978 19.533 -2.111) 23.010 10.112 ( 25.929 -1.662 -3.643) 26.237 10.580 ( 2.035 -0.727 6.087) 6.460 12.183 ( 18.037 5.303 -7.735) 20.330 13.797 ( -6.331 -7.721 11.892) 15.528 14.745 ( -10.841 1.747 -12.732) 16.813======================= Grid point 1082 (379/580) =======================q-point: ( 0.50 0.28 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.942 ( 12.131 9.740 1.386) 15.619 3.581 ( 9.863 25.325 4.097) 27.485 4.711 ( 3.962 8.646 -4.350) 10.458 5.257 ( 16.502 15.654 -8.710) 24.357 6.134 ( 14.039 14.053 4.688) 20.409 7.106 ( 0.448 -2.442 4.501) 5.140 9.542 ( -9.818 20.084 -2.224) 22.466 10.498 ( 16.297 1.410 -0.634) 16.370 10.665 ( 12.141 -4.201 5.166) 13.847 12.376 ( 5.662 -0.241 -14.625) 15.684 13.690 ( -5.276 -2.068 13.355) 14.508 14.590 ( -3.949 0.328 -8.224) 9.129======================= Grid point 1083 (380/580) =======================q-point: ( 0.56 0.28 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.229 ( 11.770 7.158 -3.381) 14.184 3.967 ( 5.060 24.383 2.746) 25.053 4.839 ( 1.835 9.728 -2.668) 10.253 5.584 ( 11.277 9.384 -10.773) 18.202 6.484 ( 11.371 8.765 3.997) 14.903 7.137 ( 3.450 -2.152 7.633) 8.649 9.583 ( -7.891 20.242 -2.346) 21.852 10.646 ( 5.570 -2.938 6.393) 8.974 10.977 ( 20.960 -0.556 -2.937) 21.172 12.304 ( -5.623 -0.589 -16.161) 17.122 13.658 ( -3.057 1.178 9.421) 9.974 14.556 ( 2.603 -2.255 -2.414) 4.206======================= Grid point 1084 (381/580) =======================q-point: ( 0.61 0.28 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.457 ( 9.985 4.289 -5.925) 12.377 4.251 ( 0.147 22.430 2.007) 22.520 4.946 ( -0.566 10.970 -1.097) 11.039 5.772 ( 7.082 5.683 -11.369) 14.550 6.700 ( 5.309 3.447 1.838) 6.591 7.231 ( 6.726 -3.251 10.893) 13.208 9.646 ( -7.551 20.322 -2.801) 21.860 10.712 ( 5.992 -8.356 2.549) 10.594 11.273 ( 14.775 0.062 -4.937) 15.578 12.140 ( -9.622 6.964 -10.889) 16.113 13.659 ( -0.642 -0.016 5.235) 5.274 14.591 ( 5.162 -4.697 0.586) 7.004======================= Grid point 1085 (382/580) =======================q-point: ( 0.67 0.28 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.613 ( 7.216 1.622 -6.615) 9.923 4.427 ( -4.802 19.754 1.654) 20.396 5.025 ( -3.424 12.048 0.103) 12.526 5.884 ( 5.494 3.841 -11.488) 13.301 6.757 ( 0.371 -1.105 0.533) 1.282 7.351 ( 6.466 -5.258 12.759) 15.239 9.692 ( -8.947 19.007 -3.391) 21.279 10.665 ( 0.967 -12.745 -5.970) 14.107 11.464 ( 10.634 -0.221 -4.200) 11.436 12.079 ( -8.006 15.598 -3.719) 17.923 13.663 ( 0.997 -3.195 3.418) 4.784 14.631 ( 5.460 -6.192 1.081) 8.326======================= Grid point 1086 (383/580) =======================q-point: (-0.28 0.28 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.686 ( 3.203 -0.814 -6.299) 7.113 4.485 ( -10.050 16.572 1.342) 19.428 5.065 ( -6.293 12.582 0.749) 14.088 5.967 ( 5.134 2.584 -12.311) 13.586 6.725 ( -1.018 -3.725 1.614) 4.185 7.404 ( 1.717 -8.077 12.826) 15.254 9.682 ( -10.403 14.786 -3.657) 18.446 10.482 ( -5.194 -8.601 -10.485) 14.522 11.617 ( 9.109 -2.192 -2.669) 9.742 12.113 ( -7.118 18.174 -1.644) 19.588 13.644 ( 0.655 -6.092 3.071) 6.854 14.668 ( 6.003 -6.464 1.059) 8.884======================= Grid point 1087 (384/580) =======================q-point: (-0.22 0.28 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.654 ( -2.587 -3.127 -5.646) 6.953 4.415 ( -15.756 13.088 0.965) 20.506 5.063 ( -8.563 12.199 0.699) 14.921 6.020 ( 3.909 0.700 -14.030) 14.581 6.681 ( -0.190 -4.230 4.029) 5.845 7.322 ( -5.560 -10.961 12.171) 17.298 9.615 ( -9.589 9.686 -2.910) 13.936 10.290 ( -7.525 -0.024 -9.558) 12.164 11.659 ( -0.527 -5.096 -1.793) 5.428 12.194 ( -1.558 16.098 -4.855) 16.886 13.580 ( -1.799 -7.381 3.792) 8.491 14.728 ( 7.784 -5.718 1.386) 9.757======================= Grid point 1088 (385/580) =======================q-point: (-0.17 0.28 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.491 ( -9.717 -4.984 -4.622) 11.858 4.211 ( -21.508 9.611 0.747) 23.569 5.018 ( -10.025 10.699 -0.026) 14.661 5.996 ( -0.606 -2.686 -14.696) 14.952 6.675 ( 1.925 -2.930 4.464) 5.676 7.079 ( -13.400 -12.754 11.934) 22.015 9.554 ( -7.000 9.090 -0.888) 11.507 10.169 ( -6.128 4.880 -6.752) 10.342 11.486 ( -10.502 -8.505 -1.032) 13.553 12.322 ( 1.629 12.657 -10.565) 16.567 13.471 ( -4.029 -6.768 5.965) 9.881 14.834 ( 10.029 -4.713 1.554) 11.190======================= Grid point 1097 (386/580) =======================q-point: ( 0.33 0.33 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.201 ( -0.000 24.626 10.277) 26.684 2.217 ( -0.000 11.394 22.224) 24.975 3.845 ( -0.000 43.040 -0.844) 43.048 4.317 ( 0.000 4.770 -4.512) 6.566 5.140 ( -0.000 24.612 -0.286) 24.614 7.282 ( 0.000 -8.924 -0.029) 8.924 9.103 ( 0.000 -3.761 -2.234) 4.374 10.201 ( 0.000 20.732 -3.123) 20.966 10.334 ( -0.000 15.882 1.832) 15.987 11.178 ( 0.000 6.019 -1.922) 6.318 14.050 ( -0.000 -12.138 6.501) 13.769 15.260 ( 0.000 0.411 -13.919) 13.925======================= Grid point 1098 (387/580) =======================q-point: ( 0.39 0.33 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.414 ( 2.066 12.175 16.236) 20.399 2.590 ( 12.125 24.101 8.658) 28.334 4.274 ( 4.515 35.149 -6.135) 35.965 4.410 ( 6.212 7.115 -3.596) 10.107 5.427 ( 3.474 26.290 2.287) 26.617 7.194 ( -1.249 -6.196 0.544) 6.344 9.216 ( 16.893 -3.340 -2.417) 17.389 10.157 ( -18.246 22.616 -2.534) 29.169 10.546 ( 1.656 5.970 3.161) 6.955 11.437 ( 20.534 7.593 -0.308) 21.895 13.935 ( -1.973 -11.610 6.865) 13.631 15.140 ( -8.159 0.302 -13.919) 16.137======================= Grid point 1099 (388/580) =======================q-point: ( 0.44 0.33 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.638 ( 5.000 11.934 9.343) 15.960 3.109 ( 16.455 24.036 6.507) 29.847 4.531 ( 5.368 10.855 -6.081) 13.551 4.736 ( 11.647 23.189 -6.060) 26.648 5.778 ( 6.014 25.000 3.806) 25.993 7.128 ( -1.184 -3.598 1.923) 4.248 9.550 ( 24.669 -1.986 -2.201) 24.847 10.071 ( -16.142 22.487 -2.940) 27.836 10.582 ( -0.416 -0.859 6.472) 6.542 11.879 ( 21.029 5.669 -3.777) 22.104 13.818 ( -2.288 -8.997 8.793) 12.786 14.922 ( -11.861 0.860 -12.800) 17.472======================= Grid point 1100 (389/580) =======================q-point: ( 0.50 0.33 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.879 ( 7.600 10.560 2.944) 13.339 3.640 ( 14.697 24.458 4.717) 28.922 4.706 ( 5.249 10.227 -5.660) 12.813 5.131 ( 13.550 16.411 -6.738) 22.323 6.131 ( 7.215 19.959 3.703) 21.544 7.097 ( -0.486 -1.709 3.788) 4.185 9.899 ( 1.956 13.038 0.691) 13.202 10.112 ( 12.573 7.480 -4.870) 15.419 10.588 ( 0.384 -2.145 7.126) 7.452 12.183 ( 12.409 1.165 -9.208) 15.496 13.752 ( -1.231 -4.857 11.009) 12.096 14.694 ( -10.388 0.736 -9.977) 14.422======================= Grid point 1101 (390/580) =======================q-point: ( 0.56 0.33 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.117 ( 8.842 8.204 -1.784) 12.193 4.109 ( 9.609 24.831 3.294) 26.829 4.874 ( 4.282 10.694 -4.575) 12.394 5.461 ( 11.570 10.950 -7.325) 17.533 6.434 ( 7.614 12.942 3.552) 15.430 7.101 ( 0.784 -1.483 5.435) 5.688 9.948 ( -10.184 20.105 0.967) 22.558 10.520 ( 23.194 1.774 -2.763) 23.425 10.604 ( 4.562 -4.147 3.635) 7.157 12.276 ( 2.930 0.456 -11.916) 12.280 13.739 ( -1.539 -1.390 9.683) 9.902 14.534 ( -4.519 -1.488 -5.173) 7.028======================= Grid point 1102 (391/580) =======================q-point: ( 0.61 0.33 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.325 ( 8.636 5.504 -4.468) 11.173 4.474 ( 3.324 24.457 2.285) 24.787 5.033 ( 3.026 11.437 -2.835) 12.166 5.687 ( 7.084 7.867 -8.259) 13.427 6.660 ( 5.649 6.461 2.894) 9.057 7.131 ( 3.469 -3.784 7.341) 8.958 9.994 ( -8.372 20.727 0.251) 22.356 10.579 ( 1.084 -6.467 2.257) 6.935 10.947 ( 21.732 1.047 -5.290) 22.391 12.267 ( -1.816 5.978 -9.532) 11.397 13.717 ( -3.276 -0.560 5.695) 6.593 14.471 ( 1.796 -5.338 -0.582) 5.662======================= Grid point 1103 (392/580) =======================q-point: ( 0.67 0.33 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.488 ( 7.309 3.006 -5.388) 9.565 4.718 ( -2.865 22.723 1.612) 22.959 5.182 ( 0.742 13.160 -0.896) 13.211 5.815 ( 3.809 5.830 -9.072) 11.437 6.751 ( 0.125 0.813 0.686) 1.071 7.204 ( 7.415 -6.870 10.168) 14.337 10.049 ( -9.849 20.226 -1.896) 22.576 10.517 ( 1.563 -9.538 -1.651) 9.806 11.244 ( 13.748 1.245 -5.661) 14.920 12.306 ( -2.248 14.026 -4.635) 14.942 13.658 ( -3.077 -2.991 3.201) 5.354 14.467 ( 5.075 -8.405 1.272) 9.900======================= Grid point 1104 (393/580) =======================q-point: ( 0.72 0.33 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.595 ( 4.875 0.914 -5.306) 7.263 4.835 ( -8.435 19.704 1.075) 21.460 5.304 ( -3.503 15.610 0.789) 16.018 5.884 ( 2.964 3.578 -10.206) 11.214 6.714 ( -1.973 -3.597 0.421) 4.124 7.286 ( 6.381 -9.481 11.072) 15.912 9.997 ( -12.527 9.552 -3.785) 16.202 10.473 ( -0.505 1.652 -4.299) 4.634 11.421 ( 9.314 -0.761 -5.157) 10.674 12.408 ( -4.823 18.862 -1.646) 19.538 13.582 ( -0.897 -6.901 2.497) 7.393 14.482 ( 6.615 -9.621 1.425) 11.763======================= Grid point 1105 (394/580) =======================q-point: (-0.22 0.33 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.629 ( 0.858 -0.782 -4.931) 5.065 4.825 ( -13.914 16.157 0.568) 21.330 5.365 ( -8.730 16.671 1.508) 18.879 5.921 ( 3.065 0.977 -11.777) 12.208 6.647 ( -0.500 -5.470 2.220) 5.925 7.286 ( 1.114 -11.676 10.529) 15.762 9.828 ( -10.268 1.018 -2.475) 10.611 10.475 ( -7.341 14.324 -6.156) 17.233 11.515 ( 6.709 -5.383 -4.984) 9.941 12.471 ( -9.033 18.701 -1.707) 20.838 13.515 ( 0.965 -8.662 2.950) 9.201 14.520 ( 8.310 -9.119 1.312) 12.407======================= Grid point 1106 (395/580) =======================q-point: (-0.17 0.33 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.567 ( -4.927 -1.901 -4.370) 6.855 4.680 ( -19.570 12.311 0.266) 23.122 5.340 ( -12.539 14.390 0.661) 19.098 5.921 ( 1.410 -1.125 -12.589) 12.718 6.619 ( 1.976 -4.646 3.912) 6.387 7.157 ( -6.014 -12.774 9.839) 17.209 9.695 ( -5.221 0.752 1.249) 5.421 10.447 ( -12.753 19.162 -6.765) 23.991 11.476 ( -0.977 -10.936 -4.918) 12.031 12.481 ( -7.060 15.292 -4.725) 17.493 13.458 ( -0.225 -7.096 4.656) 8.490 14.601 ( 10.404 -7.617 0.999) 12.933======================= Grid point 1116 (396/580) =======================q-point: ( 0.39 0.39 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.573 ( -0.000 12.070 13.496) 18.107 2.744 ( -0.000 24.026 7.061) 25.042 4.401 ( 0.000 6.116 -2.910) 6.773 4.559 ( 0.000 31.955 -8.879) 33.166 5.686 ( -0.000 29.137 2.973) 29.288 7.154 ( -0.000 -4.354 1.615) 4.644 9.037 ( 0.000 -1.356 -2.178) 2.566 10.515 ( -0.000 11.225 -0.152) 11.226 10.665 ( -0.000 16.273 1.401) 16.333 11.282 ( -0.000 4.780 2.858) 5.569 13.859 ( -0.000 -10.656 5.855) 12.159 15.160 ( 0.000 -0.857 -13.801) 13.828======================= Grid point 1117 (397/580) =======================q-point: ( 0.44 0.39 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.737 ( 1.167 11.878 8.350) 14.566 3.105 ( 11.781 22.690 5.644) 26.182 4.503 ( 5.205 6.968 -2.752) 9.122 4.835 ( 3.072 24.577 -9.182) 26.416 5.998 ( 1.390 28.294 2.587) 28.446 7.126 ( -0.698 -1.478 3.036) 3.448 9.162 ( 15.776 -0.611 -2.060) 15.921 10.571 ( -9.052 18.129 -2.458) 20.412 10.635 ( -10.347 1.932 8.015) 13.230 11.570 ( 19.929 5.543 -0.404) 20.689 13.779 ( -0.535 -8.013 6.162) 10.122 15.044 ( -6.787 -0.806 -12.688) 14.411======================= Grid point 1118 (398/580) =======================q-point: ( 0.50 0.39 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.907 ( 3.151 10.879 3.272) 11.789 3.598 ( 17.317 21.396 4.298) 27.859 4.681 ( 7.203 8.668 -3.808) 11.896 5.095 ( 6.741 16.890 -6.699) 19.380 6.288 ( 1.500 23.114 1.312) 23.199 7.122 ( -1.241 1.339 4.299) 4.671 9.517 ( 25.672 0.186 -1.964) 25.748 10.447 ( -15.766 9.162 5.655) 19.092 10.632 ( -2.614 7.978 1.675) 8.561 11.924 ( 16.628 1.973 -4.358) 17.303 13.736 ( 0.384 -4.842 7.399) 8.851 14.848 ( -10.218 -0.264 -10.398) 14.581======================= Grid point 1119 (399/580) =======================q-point: ( 0.56 0.39 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.080 ( 4.991 9.056 -0.563) 10.356 4.117 ( 16.794 20.680 3.252) 26.838 4.878 ( 6.107 10.631 -4.823) 13.175 5.357 ( 9.994 10.593 -4.160) 15.145 6.509 ( 1.730 15.405 1.000) 15.534 7.131 ( -2.058 2.593 4.542) 5.621 9.995 ( 28.475 1.762 -1.242) 28.556 10.320 ( -8.856 4.620 7.051) 12.227 10.659 ( -5.102 9.942 -1.274) 11.247 12.141 ( 9.806 1.137 -7.102) 12.161 13.741 ( 1.353 -3.054 7.773) 8.460 14.638 ( -9.971 -0.556 -7.055) 12.228======================= Grid point 1120 (400/580) =======================q-point: ( 0.61 0.39 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.248 ( 5.942 6.791 -2.758) 9.436 4.582 ( 12.092 20.596 2.539) 24.018 5.062 ( 4.590 11.197 -4.440) 12.890 5.606 ( 9.565 7.747 -3.804) 12.883 6.667 ( 2.856 7.909 2.194) 8.690 7.122 ( -2.747 0.493 3.983) 4.863 10.259 ( -3.460 4.664 9.441) 11.084 10.502 ( 22.745 -0.432 -5.870) 23.494 10.646 ( -3.427 10.446 -2.280) 11.228 12.266 ( 4.945 5.449 -7.051) 10.191 13.753 ( 0.013 -2.870 6.041) 6.688 14.460 ( -6.431 -3.035 -3.216) 7.804======================= Grid point 1121 (401/580) =======================q-point: ( 0.67 0.39 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.395 ( 5.880 4.552 -3.553) 8.241 4.941 ( 4.364 20.910 1.834) 21.439 5.234 ( 5.033 10.315 -2.724) 11.796 5.795 ( 4.999 7.842 -5.023) 10.569 6.769 ( 1.235 2.559 1.905) 3.421 7.084 ( 0.210 -5.100 5.249) 7.321 10.318 ( 1.270 6.082 6.402) 8.921 10.474 ( -8.823 -0.586 -5.583) 10.457 10.985 ( 18.469 7.656 -4.305) 20.451 12.402 ( 3.686 11.921 -4.599) 13.299 13.709 ( -3.632 -3.372 3.352) 5.983 14.340 ( -0.822 -7.543 -0.037) 7.588======================= Grid point 1122 (402/580) =======================q-point: ( 0.72 0.39 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.512 ( 4.862 2.655 -3.596) 6.605 5.141 ( -4.162 18.663 0.553) 19.130 5.433 ( 5.675 11.793 -0.122) 13.088 5.893 ( -0.380 7.887 -6.300) 10.101 6.741 ( -4.612 -1.747 -0.872) 5.008 7.096 ( 6.926 -10.419 8.570) 15.165 10.251 ( -13.273 -0.075 -4.764) 14.102 10.467 ( 6.312 5.407 3.001) 8.836 11.281 ( 8.728 7.847 -6.116) 13.235 12.597 ( 3.063 16.788 -1.525) 17.133 13.587 ( -6.018 -5.671 1.496) 8.403 14.281 ( 4.368 -11.155 1.449) 12.067======================= Grid point 1123 (403/580) =======================q-point: (-0.22 0.39 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.585 ( 2.661 1.269 -3.519) 4.590 5.186 ( -9.736 14.777 -0.053) 17.696 5.633 ( 0.890 15.435 1.699) 15.553 5.896 ( -3.737 4.955 -7.997) 10.123 6.621 ( -3.394 -5.710 -0.411) 6.655 7.132 ( 6.211 -12.581 8.707) 16.513 10.006 ( -12.417 -1.115 -1.690) 12.581 10.647 ( 4.557 10.246 -1.248) 11.283 11.400 ( 0.944 4.430 -6.962) 8.306 12.782 ( -3.681 18.968 -0.031) 19.322 13.431 ( -2.542 -9.377 1.185) 9.787 14.279 ( 8.031 -11.616 1.610) 14.213======================= Grid point 1124 (404/580) =======================q-point: (-0.17 0.39 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.597 ( -1.117 0.573 -3.509) 3.727 5.098 ( -15.318 10.657 -0.224) 18.662 5.721 ( -13.431 15.987 1.716) 20.950 5.848 ( 2.174 0.632 -9.707) 9.967 6.546 ( 1.411 -5.900 2.051) 6.404 7.100 ( 1.227 -12.865 7.619) 15.002 9.819 ( -8.736 0.721 2.653) 9.158 10.790 ( -2.590 16.146 -4.921) 17.077 11.361 ( -2.620 -4.454 -6.782) 8.526 12.794 ( -12.754 13.684 -1.906) 18.803 13.371 ( 3.776 -6.794 3.431) 8.496 14.340 ( 10.607 -9.274 1.030) 14.127======================= Grid point 1135 (405/580) =======================q-point: ( 0.44 0.44 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.869 ( -0.000 11.242 5.681) 12.596 3.233 ( -0.000 21.332 4.194) 21.740 4.514 ( 0.000 6.616 -1.272) 6.737 5.005 ( 0.000 20.240 -8.981) 22.143 6.271 ( -0.000 26.500 0.544) 26.506 7.148 ( -0.000 2.353 4.448) 5.032 9.020 ( 0.000 0.865 -1.436) 1.677 10.643 ( -0.000 -0.109 7.643) 7.644 10.988 ( -0.000 15.490 0.693) 15.506 11.394 ( 0.000 4.868 -0.234) 4.874 13.734 ( -0.000 -5.299 4.742) 7.111 15.047 ( 0.000 -1.625 -11.828) 11.939======================= Grid point 1136 (406/580) =======================q-point: ( 0.50 0.44 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.994 ( 0.549 10.479 2.532) 10.795 3.551 ( 11.634 19.176 2.996) 22.628 4.628 ( 5.754 6.886 -1.224) 9.057 5.168 ( 1.712 15.401 -6.468) 16.792 6.500 ( -0.304 19.976 -1.339) 20.023 7.201 ( -1.355 6.938 5.039) 8.681 9.161 ( 15.039 1.524 -1.088) 15.155 10.617 ( -4.623 -5.940 12.821) 14.867 10.958 ( -13.453 17.915 -2.725) 22.569 11.642 ( 16.956 2.821 -1.804) 17.284 13.712 ( 0.202 -2.419 4.412) 5.036 14.943 ( -5.578 -1.443 -9.937) 11.487======================= Grid point 1137 (407/580) =======================q-point: ( 0.56 0.44 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.115 ( 1.712 9.287 0.206) 9.445 4.001 ( 18.121 16.984 2.172) 24.931 4.825 ( 8.934 7.969 -2.409) 12.211 5.329 ( 4.112 10.687 -2.982) 11.833 6.644 ( -0.660 12.060 -1.414) 12.160 7.257 ( -3.823 9.396 3.765) 10.820 9.529 ( 25.348 2.040 -1.139) 25.456 10.475 ( -7.829 -7.499 14.289) 17.936 10.938 ( -9.517 18.074 -4.761) 20.974 11.925 ( 14.444 1.510 -3.036) 14.837 13.718 ( 0.621 -1.355 4.438) 4.681 14.775 ( -8.903 -0.986 -7.272) 11.538======================= Grid point 1138 (408/580) =======================q-point: ( 0.61 0.44 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.238 ( 2.909 7.636 -0.979) 8.230 4.490 ( 18.898 15.154 1.756) 24.287 5.055 ( 8.041 10.032 -3.866) 13.426 5.508 ( 7.714 6.525 -0.216) 10.106 6.718 ( -0.156 5.384 0.253) 5.392 7.262 ( -7.010 7.867 1.431) 10.634 10.023 ( 28.947 2.277 -2.071) 29.110 10.339 ( -4.538 -6.751 12.608) 15.004 10.923 ( -10.055 15.575 -4.342) 19.041 12.160 ( 11.228 4.867 -3.833) 12.824 13.726 ( 0.620 -2.805 4.160) 5.055 14.579 ( -10.105 -1.269 -4.466) 11.120======================= Grid point 1139 (409/580) =======================q-point: ( 0.67 0.44 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.357 ( 3.592 5.772 -1.315) 6.924 4.940 ( 15.944 13.735 1.701) 21.113 5.253 ( 4.160 11.091 -3.729) 12.419 5.721 ( 10.010 5.296 -0.266) 11.328 6.755 ( 1.320 -0.482 2.518) 2.883 7.177 ( -9.612 3.581 -0.415) 10.266 10.285 ( 1.559 -5.684 8.814) 10.603 10.457 ( 15.881 0.298 -4.860) 16.611 10.922 ( -2.172 15.287 -0.880) 15.466 12.394 ( 8.824 10.752 -3.827) 14.426 13.703 ( -0.221 -5.519 3.458) 6.517 14.378 ( -9.444 -3.219 -2.142) 10.205======================= Grid point 1140 (410/580) =======================q-point: ( 0.72 0.44 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.463 ( 3.600 4.034 -1.335) 5.569 5.311 ( 9.504 14.514 1.774) 17.440 5.392 ( 3.184 7.867 -2.346) 8.805 5.928 ( 6.243 7.827 -2.236) 10.259 6.768 ( 1.404 -4.713 3.041) 5.782 7.018 ( -8.171 -2.923 0.129) 8.678 10.336 ( 5.897 -3.137 4.192) 7.886 10.459 ( -7.412 -0.462 -3.896) 8.386 11.205 ( 12.313 14.173 -0.870) 18.794 12.651 ( 7.395 15.023 -2.522) 16.933 13.625 ( -2.914 -7.100 2.136) 7.966 14.187 ( -5.771 -7.302 -0.330) 9.313======================= Grid point 1141 (411/580) =======================q-point: ( 0.78 0.44 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.548 ( 2.840 2.751 -1.502) 4.230 5.437 ( -4.723 10.173 -0.219) 11.218 5.624 ( 9.961 8.144 -0.616) 12.881 6.055 ( -1.563 10.882 -1.847) 11.148 6.673 ( -7.972 -3.945 -2.503) 9.240 6.917 ( 4.785 -12.108 5.915) 14.300 10.234 ( -13.760 2.329 -0.432) 13.962 10.503 ( 12.489 -3.607 -0.137) 13.000 11.479 ( 2.933 13.578 -3.386) 14.298 12.919 ( 6.426 15.241 0.260) 16.542 13.466 ( -8.387 -6.513 -0.165) 10.620 14.061 ( 2.505 -11.257 1.157) 11.590======================= Grid point 1142 (412/580) =======================q-point: (-0.17 0.44 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.600 ( 1.016 2.195 -1.974) 3.122 5.396 ( -9.535 5.727 0.061) 11.123 5.795 ( 2.942 3.068 -6.366) 7.654 6.091 ( -8.731 15.120 3.750) 17.858 6.491 ( -3.577 -6.087 -2.474) 7.482 6.923 ( 6.620 -12.993 5.743) 15.672 10.038 ( -12.594 4.073 3.846) 13.783 10.696 ( 13.836 -2.940 -4.761) 14.925 11.530 ( -9.295 10.822 -4.521) 14.965 13.123 ( -6.714 13.293 1.028) 14.928 13.249 ( -0.788 -8.147 0.009) 8.185 14.072 ( 9.824 -8.928 1.163) 13.326======================= Grid point 1154 (413/580) =======================q-point: ( 0.50 0.50 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.098 ( -0.000 9.751 1.472) 9.862 3.633 ( -0.000 16.904 1.681) 16.987 4.638 ( -0.000 6.186 -0.117) 6.187 5.275 ( 0.000 12.521 -4.506) 13.307 6.661 ( 0.000 13.041 -2.640) 13.306 7.329 ( -0.000 12.413 4.226) 13.113 9.048 ( 0.000 2.349 -0.180) 2.356 10.647 ( -0.000 -6.497 14.343) 15.746 11.278 ( -0.000 13.380 -0.020) 13.380 11.457 ( 0.000 3.062 -3.458) 4.618 13.713 ( -0.000 0.350 2.628) 2.652 14.942 ( 0.000 -1.845 -8.541) 8.738======================= Grid point 1155 (414/580) =======================q-point: ( 0.56 0.50 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.195 ( 0.083 8.941 0.858) 8.983 3.895 ( 11.659 14.220 0.844) 18.408 4.751 ( 6.180 5.903 -0.375) 8.554 5.383 ( 1.064 9.626 -1.680) 9.829 6.745 ( -0.699 7.253 -2.231) 7.620 7.448 ( -3.082 13.627 1.733) 14.078 9.202 ( 14.604 2.658 0.242) 14.846 10.567 ( -6.131 -8.897 16.020) 19.323 11.247 ( -9.554 13.189 -3.461) 16.650 11.680 ( 14.850 2.759 -1.482) 15.177 13.729 ( -0.417 1.473 1.739) 2.317 14.857 ( -4.718 -1.520 -6.432) 8.120======================= Grid point 1156 (415/580) =======================q-point: ( 0.61 0.50 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.286 ( 0.596 7.808 0.872) 7.880 4.293 ( 18.740 11.559 0.485) 22.024 4.955 ( 10.672 6.345 -1.554) 12.513 5.493 ( 2.500 6.770 1.205) 7.317 6.772 ( -1.299 3.111 -1.040) 3.528 7.487 ( -7.083 11.048 -1.018) 13.162 9.575 ( 24.741 2.738 -0.169) 24.893 10.407 ( -7.052 -9.124 14.755) 18.727 11.214 ( -8.711 12.650 -3.476) 15.747 11.962 ( 15.207 3.706 -1.251) 15.702 13.729 ( -1.455 0.144 1.333) 1.979 14.715 ( -8.164 -1.025 -4.210) 9.243======================= Grid point 1157 (416/580) =======================q-point: ( 0.67 0.50 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.376 ( 1.270 6.296 1.141) 6.524 4.736 ( 20.138 8.887 0.510) 22.018 5.216 ( 11.363 8.393 -2.955) 14.432 5.619 ( 5.689 3.716 3.395) 7.596 6.758 ( -1.604 -0.703 0.495) 1.820 7.413 ( -11.047 6.911 -3.190) 13.416 10.041 ( 24.573 0.020 -2.395) 24.689 10.290 ( -0.792 -5.391 12.423) 13.566 11.164 ( -9.038 10.584 -0.997) 13.953 12.272 ( 15.050 7.617 -1.833) 16.967 13.684 ( -2.612 -3.282 1.277) 4.385 14.532 ( -10.669 -0.982 -2.523) 11.007======================= Grid point 1158 (417/580) =======================q-point: ( 0.72 0.50 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.460 ( 1.771 4.669 1.219) 5.140 5.139 ( 17.824 5.728 0.553) 18.730 5.453 ( 5.256 10.915 -1.842) 12.253 5.805 ( 11.771 2.187 2.316) 12.194 6.709 ( -1.222 -5.022 2.283) 5.650 7.230 ( -14.090 2.772 -4.483) 15.043 10.180 ( 5.673 -8.836 3.084) 10.944 10.486 ( 8.541 4.544 0.067) 9.675 11.179 ( 2.207 9.459 3.338) 10.271 12.608 ( 13.419 12.027 -2.435) 18.184 13.584 ( -2.894 -7.882 1.585) 8.545 14.314 ( -12.390 -1.740 -1.625) 12.616======================= Grid point 1159 (418/580) =======================q-point: ( 0.78 0.50 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.536 ( 1.953 3.369 0.846) 3.985 5.438 ( 11.474 1.175 -0.663) 11.553 5.610 ( 2.074 10.979 2.175) 11.383 6.053 ( 11.229 5.341 -1.424) 12.516 6.639 ( 0.632 -9.683 3.998) 10.495 6.971 ( -14.854 -0.641 -4.581) 15.558 10.235 ( 10.305 -8.625 -0.422) 13.445 10.497 ( -10.265 6.623 0.858) 12.246 11.446 ( 13.007 8.108 2.947) 15.608 12.932 ( 9.188 14.281 -2.334) 17.141 13.455 ( -1.111 -11.320 1.906) 11.533 14.073 ( -11.669 -3.058 -1.106) 12.114======================= Grid point 1160 (419/580) =======================q-point: (-0.17 0.50 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1467Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.598 ( 1.609 2.787 -0.000) 3.218 5.513 ( -1.037 -1.796 -0.000) 2.074 5.771 ( 3.553 6.154 0.000) 7.106 6.249 ( 4.479 7.757 -0.000) 8.957 6.559 ( -3.711 -6.428 -0.000) 7.422 6.734 ( -3.902 -6.758 -0.000) 7.804 10.292 ( -1.619 -2.804 -0.000) 3.238 10.425 ( 1.759 3.047 0.000) 3.518 11.677 ( 3.316 5.744 0.000) 6.632 13.145 ( 3.395 5.880 -0.000) 6.789 13.345 ( -3.348 -5.800 -0.000) 6.697 13.911 ( -1.061 -1.837 -0.000) 2.121======================= Grid point 1174 (420/580) =======================q-point: ( 0.56 0.56 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.285 ( -0.000 8.288 1.753) 8.471 3.920 ( -0.000 11.482 -0.076) 11.482 4.748 ( -0.000 4.692 0.103) 4.693 5.460 ( -0.000 7.964 0.429) 7.976 6.799 ( 0.000 4.146 -2.103) 4.649 7.614 ( 0.000 13.168 -0.968) 13.203 9.104 ( -0.000 2.731 1.299) 3.024 10.591 ( -0.000 -10.052 17.544) 20.220 11.492 ( 0.000 3.651 -3.910) 5.350 11.508 ( 0.000 9.898 -0.580) 9.915 13.761 ( -0.000 2.946 0.167) 2.951 14.863 ( 0.000 -1.459 -4.887) 5.100======================= Grid point 1175 (421/580) =======================q-point: ( 0.61 0.56 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.368 ( -0.338 7.333 2.814) 7.862 4.122 ( 11.755 8.625 -0.470) 14.587 4.847 ( 6.671 3.860 -0.395) 7.718 5.541 ( 0.601 6.302 2.749) 6.902 6.813 ( -1.064 1.928 -1.636) 2.743 7.686 ( -4.314 9.915 -3.505) 11.367 9.262 ( 14.346 2.533 1.593) 14.654 10.483 ( -6.336 -10.746 16.567) 20.738 11.439 ( -6.113 9.007 -2.610) 11.195 11.742 ( 13.037 3.923 -0.737) 13.634 13.774 ( -1.765 2.260 -0.615) 2.933 14.800 ( -4.252 -0.865 -3.180) 5.379======================= Grid point 1176 (422/580) =======================q-point: ( 0.67 0.56 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.438 ( -0.326 5.918 3.602) 6.936 4.464 ( 19.066 5.675 -0.523) 19.900 5.048 ( 12.545 3.776 -1.239) 13.160 5.624 ( 1.230 4.606 4.933) 6.860 6.789 ( -2.323 -0.169 -1.014) 2.540 7.636 ( -8.731 5.659 -5.449) 11.746 9.622 ( 23.334 1.529 0.581) 23.391 10.322 ( -5.440 -9.049 13.889) 17.446 11.405 ( -7.989 8.598 -0.501) 11.747 12.038 ( 17.309 3.906 -0.453) 17.750 13.732 ( -4.244 -0.143 -0.937) 4.348 14.682 ( -7.971 -0.149 -1.904) 8.196======================= Grid point 1177 (423/580) =======================q-point: ( 0.72 0.56 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.498 ( 0.078 4.211 3.734) 5.629 4.849 ( 20.461 2.435 -0.251) 20.607 5.336 ( 16.169 5.226 -2.251) 17.141 5.710 ( 2.661 2.273 6.748) 7.602 6.723 ( -3.624 -2.424 -0.312) 4.371 7.468 ( -12.448 1.689 -6.618) 14.199 9.963 ( 12.789 -6.270 -0.694) 14.261 10.322 ( 10.944 0.412 9.798) 14.696 11.338 ( -8.272 6.630 2.720) 10.945 12.400 ( 19.432 5.310 -0.611) 20.154 13.618 ( -6.680 -3.337 -0.940) 7.526 14.512 ( -11.344 0.351 -1.364) 11.432======================= Grid point 1178 (424/580) =======================q-point: (-0.22 -0.44 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.551 ( 0.728 2.720 3.139) 4.217 5.185 ( 17.475 -1.074 0.069) 17.508 5.646 ( 9.674 8.915 -0.484) 13.164 5.829 ( 10.980 -2.290 5.018) 12.288 6.616 ( -4.584 -4.714 0.541) 6.598 7.211 ( -14.747 -0.917 -6.851) 16.287 10.001 ( 6.186 -9.518 -0.515) 11.363 10.622 ( 8.496 7.329 3.501) 11.754 11.332 ( 3.010 2.683 6.101) 7.313 12.787 ( 19.050 5.716 -0.890) 19.909 13.440 ( -7.963 -6.009 -0.564) 9.992 14.294 ( -13.953 0.985 -1.382) 14.056======================= Grid point 1193 (425/580) =======================q-point: ( 0.61 0.61 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.452 ( -0.000 6.261 4.609) 7.775 4.087 ( 0.000 5.785 -0.897) 5.854 4.816 ( 0.000 2.232 -0.499) 2.287 5.608 ( -0.000 5.480 4.727) 7.238 6.832 ( 0.000 0.985 -1.833) 2.081 7.791 ( 0.000 6.549 -5.820) 8.761 9.166 ( -0.000 2.007 2.671) 3.341 10.488 ( -0.000 -12.080 17.070) 20.912 11.569 ( 0.000 6.275 -1.680) 6.496 11.654 ( 0.000 5.207 -0.980) 5.299 13.811 ( 0.000 2.128 -1.617) 2.672 14.822 ( 0.000 -0.228 -1.940) 1.953======================= Grid point 1194 (426/580) =======================q-point: ( 0.67 0.61 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.518 ( -0.724 4.574 5.734) 7.370 4.230 ( 11.733 2.765 -1.028) 12.098 4.893 ( 7.318 1.192 -0.868) 7.465 5.679 ( 0.193 4.629 6.758) 8.194 6.818 ( -1.535 -0.055 -1.866) 2.417 7.771 ( -4.763 2.226 -7.614) 9.253 9.315 ( 13.847 1.236 2.665) 14.156 10.370 ( -5.368 -11.258 14.699) 19.278 11.595 ( -4.501 7.731 0.573) 8.964 11.800 ( 12.217 2.116 -0.651) 12.416 13.794 ( -2.871 0.349 -2.130) 3.592 14.784 ( -4.161 0.747 -1.030) 4.351======================= Grid point 1195 (427/580) =======================q-point: (-0.28 -0.39 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.557 ( -0.916 2.447 5.830) 6.388 4.509 ( 19.029 -0.580 -0.969) 19.063 5.085 ( 14.235 0.840 -1.086) 14.301 5.750 ( 0.125 3.642 8.626) 9.364 6.764 ( -3.307 -1.198 -1.905) 4.000 7.626 ( -8.834 -1.934 -8.674) 12.531 9.631 ( 19.496 -1.244 1.009) 19.561 10.245 ( -0.876 -7.385 11.885) 14.020 11.558 ( -8.148 5.828 2.875) 10.423 12.093 ( 18.943 1.736 0.344) 19.025 13.703 ( -5.974 -1.849 -2.478) 6.726 14.687 ( -8.226 1.666 -0.745) 8.426======================= Grid point 1196 (428/580) =======================q-point: (-0.22 -0.39 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.578 ( -0.267 0.463 4.978) 5.006 4.830 ( 20.503 -4.093 -0.460) 20.913 5.381 ( 19.510 0.523 -1.592) 19.581 5.810 ( -0.322 2.145 10.101) 10.331 6.669 ( -5.028 -2.098 -2.052) 5.822 7.384 ( -11.475 -4.871 -8.818) 15.269 9.818 ( 6.349 -7.208 -0.545) 9.621 10.402 ( 18.828 0.764 8.149) 20.530 11.462 ( -9.162 2.757 5.269) 10.923 12.457 ( 21.090 0.546 1.099) 21.125 13.544 ( -8.324 -2.807 -2.822) 9.227 14.531 ( -11.858 2.532 -0.953) 12.163======================= Grid point 1212 (429/580) =======================q-point: (-0.33 -0.33 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.582 ( -0.000 2.323 7.070) 7.442 4.135 ( 0.000 -0.271 -1.223) 1.253 4.829 ( 0.000 -0.301 -1.073) 1.114 5.749 ( -0.000 4.341 8.858) 9.865 6.822 ( 0.000 -0.385 -2.420) 2.450 7.783 ( 0.000 -2.237 -9.441) 9.702 9.213 ( -0.000 0.552 3.661) 3.702 10.355 ( -0.000 -11.690 13.982) 18.225 11.696 ( 0.000 -0.256 -1.304) 1.329 11.718 ( -0.000 8.423 2.671) 8.836 13.808 ( 0.000 -1.216 -2.762) 3.018 14.831 ( 0.000 1.973 -0.426) 2.018======================= Grid point 1213 (430/580) =======================q-point: (-0.28 -0.33 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.607 ( -0.903 -0.550 7.158) 7.236 4.214 ( 11.594 -3.667 -1.301) 12.229 4.887 ( 7.955 -1.026 -0.954) 8.078 5.822 ( -0.234 3.800 10.878) 11.525 6.791 ( -1.885 -0.957 -2.947) 3.627 7.665 ( -4.433 -6.761 -10.565) 13.303 9.342 ( 12.762 -0.527 3.281) 13.187 10.250 ( -3.712 -9.480 11.436) 15.311 11.701 ( -0.999 -0.917 0.973) 1.669 11.863 ( 8.630 6.402 3.433) 11.281 13.748 ( -3.150 -3.336 -3.283) 5.642 14.818 ( -4.405 3.161 -0.367) 5.434======================= Grid point 1214 (431/580) =======================q-point: (-0.22 -0.33 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.594 ( -0.742 -3.360 6.087) 6.992 4.426 ( 18.933 -7.216 -1.041) 20.288 5.070 ( 14.964 -1.601 -0.659) 15.064 5.885 ( -0.924 2.588 12.419) 12.719 6.719 ( -3.772 -1.328 -3.550) 5.347 7.439 ( -7.400 -10.265 -10.797) 16.634 9.594 ( 14.207 -2.821 1.104) 14.526 10.194 ( 4.864 -5.102 9.255) 11.634 11.632 ( -5.970 -2.310 3.456) 7.275 12.148 ( 16.121 3.876 4.069) 17.072 13.619 ( -5.598 -4.531 -3.896) 8.188 14.738 ( -8.752 4.047 -0.741) 9.671======================= Grid point 1231 (432/580) =======================q-point: (-0.28 -0.28 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.617 ( -0.000 -4.325 7.460) 8.623 4.054 ( 0.000 -7.110 -1.561) 7.280 4.799 ( 0.000 -1.822 -0.809) 1.994 5.902 ( -0.000 3.339 13.123) 13.541 6.786 ( 0.000 -1.108 -3.828) 3.985 7.572 ( 0.000 -11.843 -11.908) 16.795 9.235 ( -0.000 -1.029 4.096) 4.223 10.233 ( -0.000 -8.401 10.108) 13.143 11.625 ( 0.000 -5.823 -1.623) 6.045 11.931 ( -0.000 9.114 8.116) 12.204 13.718 ( 0.000 -5.609 -3.989) 6.882 14.894 ( 0.000 4.621 -0.511) 4.649======================= Grid point 1232 (433/580) =======================q-point: (-0.22 -0.28 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.571 ( -0.652 -8.117 6.449) 10.388 4.064 ( 11.664 -10.596 -1.433) 15.823 4.848 ( 8.172 -2.250 -0.312) 8.482 5.969 ( -0.817 1.662 14.755) 14.871 6.744 ( -1.965 -0.962 -4.573) 5.070 7.361 ( -3.294 -16.041 -12.403) 20.543 9.341 ( 11.583 -1.738 3.370) 12.188 10.165 ( -2.369 -5.401 8.061) 9.988 11.586 ( 2.900 -9.326 -0.927) 9.810 12.078 ( 3.946 8.955 10.324) 14.225 13.616 ( -2.561 -7.038 -4.869) 8.933 14.901 ( -4.822 5.623 -1.080) 7.486======================= Grid point 1250 (434/580) =======================q-point: (-0.22 -0.22 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.495 ( -0.000 -12.810 6.112) 14.194 3.832 ( 0.000 -14.099 -1.729) 14.204 4.754 ( -0.000 -2.467 0.155) 2.472 6.034 ( -0.000 -1.297 16.080) 16.132 6.738 ( 0.000 -0.033 -4.903) 4.903 7.159 ( 0.000 -20.870 -13.344) 24.772 9.230 ( -0.000 -2.131 3.914) 4.457 10.176 ( -0.000 -2.778 6.740) 7.290 11.448 ( 0.000 -10.724 -1.906) 10.892 12.171 ( -0.000 6.844 13.971) 15.557 13.542 ( 0.000 -8.152 -6.102) 10.183 15.000 ( 0.000 6.784 -1.920) 7.051======================= Grid point 1385 (435/580) =======================q-point: ( 0.22 0.22 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 580Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.076 ( -0.000 0.000 23.486) 23.486 1.076 ( -0.000 0.000 23.486) 23.486 1.966 ( -0.000 0.000 43.323) 43.323 4.268 ( 0.000 -0.000 -6.025) 6.025 4.268 ( 0.000 -0.000 -6.025) 6.025 8.441 ( 0.000 -0.000 -15.283) 15.283 9.452 ( -0.000 0.000 0.369) 0.369 9.452 ( -0.000 0.000 0.369) 0.369 9.592 ( -0.000 0.000 -0.009) 0.009 9.592 ( 0.000 -0.000 -0.009) 0.009 14.369 ( -0.000 0.000 6.416) 6.416 15.322 ( 0.000 -0.000 -1.544) 1.544======================= Grid point 1386 (436/580) =======================q-point: ( 0.28 0.22 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.351 ( 14.211 8.205 19.035) 25.132 1.467 ( 21.242 12.264 21.484) 32.607 2.225 ( 13.002 7.507 33.438) 36.654 4.293 ( 2.719 1.570 -5.979) 6.753 4.346 ( 9.418 5.438 -5.863) 12.355 7.882 ( -23.987 -13.849 -0.459) 27.702 9.313 ( -6.581 -3.799 -0.679) 7.629 9.639 ( 13.529 7.811 -1.482) 15.692 9.759 ( 9.633 5.562 0.933) 11.162 10.369 ( 44.490 25.686 -19.935) 55.105 14.357 ( -3.206 -1.851 6.618) 7.583 15.258 ( -5.478 -3.163 -4.490) 7.758======================= Grid point 1387 (437/580) =======================q-point: ( 0.33 0.22 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.797 ( 19.231 11.103 13.503) 25.989 1.908 ( 10.565 6.100 25.422) 28.198 2.867 ( 34.422 19.873 12.275) 41.599 4.349 ( 3.857 2.227 -5.647) 7.192 4.639 ( 17.099 9.872 -3.257) 20.011 7.498 ( -11.357 -6.557 -0.315) 13.118 9.182 ( -4.449 -2.568 -1.593) 5.378 9.972 ( 14.990 8.655 -3.396) 17.639 10.005 ( 11.397 6.580 1.687) 13.267 11.188 ( 33.018 19.063 -15.691) 41.229 14.263 ( -7.205 -4.160 7.903) 11.475 15.052 ( -9.749 -5.628 -9.282) 14.590======================= Grid point 1388 (438/580) =======================q-point: ( 0.39 0.22 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.216 ( 11.079 6.397 18.784) 22.726 2.294 ( 20.480 11.824 9.257) 25.395 3.735 ( 37.503 21.653 1.819) 43.343 4.427 ( 4.483 2.588 -5.000) 7.197 5.079 ( 21.239 12.262 0.301) 24.526 7.303 ( -6.266 -3.618 -0.797) 7.280 9.103 ( -1.881 -1.086 -2.323) 3.180 10.258 ( 10.755 6.209 -3.578) 12.924 10.287 ( 12.697 7.331 2.189) 14.824 11.809 ( 25.145 14.518 -7.834) 30.074 14.085 ( -10.996 -6.348 10.726) 16.621 14.792 ( -8.672 -5.007 -13.545) 16.844======================= Grid point 1389 (439/580) =======================q-point: ( 0.44 0.22 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.554 ( 14.064 8.120 9.727) 18.930 2.781 ( 19.618 11.326 6.209) 23.488 4.516 ( 4.605 2.659 -4.035) 6.675 4.535 ( 32.225 18.605 -4.508) 37.482 5.583 ( 21.790 12.580 3.144) 25.357 7.192 ( -3.452 -1.993 0.716) 4.049 9.080 ( 0.595 0.343 -2.876) 2.957 10.447 ( 6.865 3.964 -0.413) 7.938 10.595 ( 13.437 7.758 2.417) 15.703 12.260 ( 16.016 9.247 -9.750) 20.907 13.847 ( -12.737 -7.353 13.283) 19.817 14.604 ( -3.274 -1.890 -12.817) 13.363======================= Grid point 1390 (440/580) =======================q-point: ( 0.50 0.22 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.908 ( 14.852 8.575 2.078) 17.274 3.221 ( 17.284 9.979 4.104) 20.375 4.607 ( 4.266 2.463 -2.803) 5.668 5.151 ( 23.414 13.518 -9.381) 28.617 6.069 ( 19.186 11.077 4.479) 22.602 7.155 ( -0.315 -0.182 4.001) 4.018 9.106 ( 2.503 1.445 -3.297) 4.384 10.591 ( 5.777 3.336 3.537) 7.551 10.910 ( 13.233 7.640 2.394) 15.466 12.425 ( 1.893 1.093 -18.734) 18.861 13.645 ( -7.860 -4.538 13.890) 16.592 14.561 ( 2.072 1.196 -6.546) 6.970======================= Grid point 1391 (441/580) =======================q-point: ( 0.56 0.22 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.231 ( 13.372 7.720 -3.402) 15.811 3.590 ( 13.896 8.023 2.743) 16.278 4.689 ( 3.498 2.020 -1.428) 4.284 5.541 ( 14.373 8.298 -12.245) 20.625 6.464 ( 13.643 7.877 3.930) 16.236 7.209 ( 3.248 1.875 8.020) 8.853 9.164 ( 3.451 1.992 -3.645) 5.400 10.750 ( 6.992 4.037 5.475) 9.755 11.205 ( 11.722 6.768 2.192) 13.712 12.237 ( -10.769 -6.218 -22.478) 25.689 13.598 ( -0.326 -0.188 9.708) 9.715 14.626 ( 4.048 2.337 -0.977) 4.776======================= Grid point 1392 (442/580) =======================q-point: ( 0.61 0.22 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.488 ( 10.472 6.046 -6.552) 13.753 3.870 ( 9.787 5.650 1.934) 11.465 4.754 ( 2.349 1.356 -0.113) 2.715 5.753 ( 8.658 4.999 -12.645) 16.120 6.702 ( 6.324 3.651 1.832) 7.529 7.345 ( 5.179 2.990 11.604) 13.055 9.230 ( 3.281 1.894 -3.944) 5.469 10.938 ( 7.300 4.215 2.910) 8.918 11.449 ( 8.773 5.065 1.920) 10.311 11.862 ( -13.878 -8.012 -19.537) 25.268 13.657 ( 2.545 1.469 5.359) 6.112 14.713 ( 3.217 1.857 0.987) 3.844======================= Grid point 1393 (443/580) =======================q-point: ( 0.67 0.22 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.661 ( 6.757 3.901 -7.682) 10.949 4.046 ( 5.090 2.939 1.509) 6.068 4.793 ( 0.988 0.571 0.863) 1.431 5.879 ( 6.449 3.723 -12.249) 14.335 6.783 ( 0.936 0.540 0.724) 1.301 7.490 ( 2.971 1.715 13.489) 13.918 9.280 ( 2.160 1.247 -4.165) 4.855 10.987 ( -5.414 -3.126 -11.103) 12.742 11.609 ( 4.601 2.656 1.694) 5.576 11.615 ( 0.036 0.021 -6.198) 6.198 13.726 ( 1.751 1.011 3.547) 4.083 14.774 ( 1.949 1.125 0.902) 2.424======================= Grid point 1394 (444/580) =======================q-point: (-0.28 0.22 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.738 ( 2.044 1.180 -7.638) 7.995 4.107 ( -0.289 -0.167 1.387) 1.426 4.805 ( -0.265 -0.153 1.204) 1.242 5.974 ( 5.686 3.283 -12.794) 14.380 6.775 ( -1.508 -0.871 1.819) 2.518 7.544 ( -2.746 -1.585 13.813) 14.173 9.297 ( 0.547 0.316 -4.251) 4.298 10.679 ( -13.521 -7.807 -16.868) 22.985 11.665 ( -0.266 -0.154 1.602) 1.631 11.768 ( 10.803 6.237 -1.750) 12.596 13.745 ( -1.430 -0.826 3.224) 3.622 14.819 ( 1.997 1.153 0.731) 2.419======================= Grid point 1395 (445/580) =======================q-point: (-0.22 0.22 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.692 ( -4.121 -2.379 -7.141) 8.581 4.038 ( -6.261 -3.615 1.502) 7.384 4.791 ( -1.241 -0.716 0.792) 1.637 6.044 ( 4.107 2.371 -14.741) 15.485 6.744 ( -1.764 -1.019 4.297) 4.756 7.442 ( -10.394 -6.001 13.417) 18.002 9.277 ( -0.962 -0.556 -4.162) 4.308 10.351 ( -9.711 -5.607 -12.934) 17.118 11.608 ( -5.125 -2.959 1.681) 6.151 12.008 ( 10.610 6.126 -6.917) 14.070 13.677 ( -5.462 -3.154 3.970) 7.453 14.885 ( 3.707 2.140 1.264) 4.463======================= Grid point 1404 (446/580) =======================q-point: ( 0.28 0.28 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.341 ( -0.000 12.850 19.513) 23.364 1.587 ( -0.000 24.617 21.425) 32.635 2.358 ( -0.000 14.949 31.594) 34.952 4.220 ( 0.000 0.810 -6.190) 6.242 4.375 ( 0.000 12.967 -5.957) 14.270 7.902 ( 0.000 -25.671 -2.514) 25.793 9.344 ( 0.000 -7.679 -0.748) 7.715 9.489 ( 0.000 9.312 -1.119) 9.379 9.757 ( -0.000 12.395 1.002) 12.436 10.333 ( 0.000 44.602 -15.708) 47.287 14.378 ( -0.000 -3.955 6.697) 7.778 15.285 ( 0.000 -1.219 -5.250) 5.390======================= Grid point 1405 (447/580) =======================q-point: ( 0.33 0.28 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.693 ( 14.138 15.990 14.998) 26.086 1.936 ( 5.978 13.041 25.692) 29.425 2.756 ( 13.239 29.262 15.045) 35.467 4.265 ( 5.094 1.660 -5.811) 7.904 4.558 ( 6.651 17.020 -4.107) 18.729 7.580 ( -8.976 -13.801 -1.021) 16.495 9.380 ( -10.113 7.876 -1.187) 12.873 9.504 ( 17.276 -5.503 -2.135) 18.256 10.063 ( 10.355 15.588 0.855) 18.733 10.862 ( 22.184 28.234 -14.592) 38.758 14.322 ( -3.183 -6.660 7.267) 10.358 15.168 ( -9.098 -1.504 -8.547) 12.573======================= Grid point 1406 (448/580) =======================q-point: ( 0.39 0.28 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.174 ( 15.715 17.586 11.133) 26.080 2.208 ( 6.467 8.231 22.085) 24.440 3.447 ( 25.923 31.454 2.431) 40.832 4.363 ( 5.229 3.696 -5.395) 8.373 4.910 ( 14.629 17.834 -0.347) 23.069 7.351 ( -5.746 -7.058 -1.168) 9.176 9.269 ( -11.760 11.554 -1.807) 16.585 9.816 ( 25.244 -7.804 -2.623) 26.553 10.343 ( 5.237 13.621 0.584) 14.605 11.478 ( 26.760 16.941 -8.452) 32.780 14.192 ( -6.149 -8.792 9.360) 14.238 14.919 ( -13.254 -0.777 -12.011) 17.904======================= Grid point 1407 (449/580) =======================q-point: ( 0.44 0.28 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.470 ( 9.429 7.827 13.914) 18.540 2.672 ( 15.127 20.377 7.128) 26.360 4.194 ( 27.544 23.074 -4.071) 36.161 4.483 ( 5.235 7.577 -4.413) 10.212 5.379 ( 18.880 16.533 2.892) 25.261 7.220 ( -3.186 -4.017 -0.264) 5.134 9.204 ( -8.687 12.272 -2.389) 15.225 10.167 ( 23.200 -4.410 -2.444) 23.741 10.533 ( 4.776 7.694 2.806) 9.481 12.006 ( 20.971 10.319 -8.085) 24.731 14.009 ( -9.145 -8.912 12.623) 17.955 14.665 ( -10.024 0.874 -13.396) 16.754======================= Grid point 1408 (450/580) =======================q-point: ( 0.50 0.28 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.771 ( 12.117 8.411 5.463) 15.729 3.135 ( 12.862 20.359 4.680) 24.532 4.558 ( 5.530 5.251 -4.180) 8.696 4.882 ( 22.158 18.980 -7.325) 30.081 5.874 ( 19.076 13.866 4.568) 24.021 7.161 ( -0.513 -1.957 2.097) 2.914 9.196 ( -5.844 12.821 -2.841) 14.373 10.476 ( 14.377 0.694 -0.161) 14.395 10.719 ( 11.689 1.551 4.143) 12.498 12.298 ( 8.776 3.395 -14.909) 17.630 13.808 ( -10.161 -5.330 13.284) 17.553 14.538 ( -1.690 1.571 -8.424) 8.734======================= Grid point 1409 (451/580) =======================q-point: ( 0.56 0.28 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.073 ( 12.641 7.602 -1.047) 14.788 3.538 ( 9.657 19.149 3.097) 21.669 4.672 ( 3.011 6.131 -2.480) 7.267 5.336 ( 16.144 11.887 -10.406) 22.588 6.313 ( 15.775 10.098 4.732) 19.319 7.183 ( 3.040 -0.327 5.321) 6.137 9.233 ( -3.875 13.164 -3.206) 14.092 10.672 ( 7.490 1.841 4.546) 8.953 10.995 ( 17.188 -0.134 1.280) 17.236 12.269 ( -5.158 -1.686 -20.400) 21.110 13.680 ( -5.588 -0.588 9.996) 11.467 14.562 ( 4.115 0.775 -1.443) 4.429======================= Grid point 1410 (452/580) =======================q-point: ( 0.61 0.28 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.336 ( 11.346 5.857 -5.202) 13.787 3.859 ( 5.794 17.116 2.184) 18.201 4.767 ( 1.188 6.716 -0.977) 6.890 5.609 ( 9.971 6.898 -11.404) 16.645 6.621 ( 9.231 5.441 3.179) 11.177 7.292 ( 6.586 0.389 8.810) 11.007 9.294 ( -3.168 13.240 -3.549) 14.068 10.823 ( 7.799 -1.144 4.017) 8.848 11.271 ( 14.484 -0.507 -1.089) 14.534 12.017 ( -13.347 0.451 -18.176) 22.555 13.664 ( -0.299 0.993 5.886) 5.976 14.649 ( 5.160 -0.816 1.597) 5.463======================= Grid point 1411 (453/580) =======================q-point: ( 0.67 0.28 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.537 ( 8.857 3.699 -7.138) 11.962 4.085 ( 1.436 14.558 1.709) 14.728 4.836 ( -0.881 6.957 0.245) 7.017 5.764 ( 6.774 4.394 -11.214) 13.818 6.760 ( 2.928 1.124 1.353) 3.415 7.451 ( 6.964 -0.570 11.539) 13.489 9.353 ( -3.781 12.859 -3.844) 13.944 10.886 ( 3.250 -9.661 -5.550) 11.606 11.457 ( 9.758 -1.128 -3.287) 10.358 11.802 ( -10.410 10.422 -6.856) 16.248 13.705 ( 2.058 -0.095 3.757) 4.285 14.719 ( 4.185 -2.266 1.601) 5.021======================= Grid point 1412 (454/580) =======================q-point: ( 0.72 0.28 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.659 ( 5.250 1.285 -7.549) 9.284 4.204 ( -3.470 11.602 1.461) 12.197 4.874 ( -2.999 6.885 0.957) 7.570 5.868 ( 5.596 3.249 -11.428) 13.133 6.781 ( -0.054 -1.445 1.416) 2.023 7.563 ( 2.845 -3.367 12.576) 13.326 9.385 ( -5.214 11.776 -3.980) 13.480 10.683 ( -6.680 -13.865 -14.800) 21.352 11.620 ( 10.012 1.399 -1.729) 10.256 11.792 ( -5.298 13.016 -0.018) 14.053 13.738 ( 1.305 -2.317 3.168) 4.136 14.763 ( 3.736 -2.832 0.918) 4.777======================= Grid point 1413 (455/580) =======================q-point: (-0.22 0.28 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.681 ( 0.044 -1.541 -7.253) 7.415 4.201 ( -9.047 8.272 1.359) 12.333 4.877 ( -4.759 6.568 0.973) 8.169 5.943 ( 4.637 2.228 -12.820) 13.814 6.760 ( -0.649 -2.433 3.104) 3.997 7.547 ( -4.069 -7.113 12.577) 15.011 9.379 ( -6.587 10.167 -3.839) 12.708 10.377 ( -7.913 -9.907 -13.415) 18.459 11.704 ( -2.710 0.312 0.221) 2.736 11.902 ( 5.389 10.834 -4.059) 12.763 13.713 ( -1.727 -4.586 3.487) 6.014 14.812 ( 4.959 -2.337 0.795) 5.540======================= Grid point 1423 (456/580) =======================q-point: ( 0.33 0.33 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.792 ( -0.000 20.196 14.151) 24.660 2.108 ( -0.000 10.901 26.922) 29.045 3.024 ( -0.000 37.171 7.905) 38.002 4.221 ( 0.000 3.222 -5.287) 6.191 4.681 ( 0.000 20.868 -3.434) 21.149 7.505 ( 0.000 -14.416 -1.383) 14.482 9.195 ( 0.000 -6.236 -1.641) 6.449 9.776 ( 0.000 19.450 -1.898) 19.542 10.036 ( -0.000 14.702 1.470) 14.776 10.899 ( 0.000 22.743 -9.261) 24.556 14.294 ( -0.000 -9.326 7.150) 11.752 15.209 ( 0.000 -0.677 -11.174) 11.195======================= Grid point 1424 (457/580) =======================q-point: ( 0.39 0.33 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.158 ( 11.883 21.097 11.150) 26.657 2.301 ( 1.886 8.018 23.715) 25.105 3.504 ( 9.544 38.752 -0.546) 39.914 4.289 ( 5.087 4.384 -4.672) 8.181 4.941 ( 5.742 23.092 -0.561) 23.801 7.345 ( -3.261 -9.283 -1.151) 9.906 9.303 ( 18.068 -6.230 -2.200) 19.239 9.722 ( -17.916 19.724 -1.765) 26.704 10.355 ( 9.199 12.996 0.970) 15.951 11.225 ( 17.960 15.559 -3.969) 24.091 14.194 ( -2.474 -11.200 7.874) 13.912 15.080 ( -9.173 0.108 -13.314) 16.168======================= Grid point 1425 (458/580) =======================q-point: ( 0.44 0.33 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.481 ( 4.506 8.039 15.754) 18.251 2.664 ( 14.850 22.854 8.326) 28.499 4.067 ( 15.631 30.571 -5.751) 34.814 4.437 ( 7.311 7.547 -3.975) 11.234 5.319 ( 11.126 22.414 2.602) 25.159 7.220 ( -2.448 -5.358 -0.337) 5.901 9.538 ( -1.875 10.339 -1.336) 10.593 9.706 ( 11.722 4.446 -3.494) 13.015 10.549 ( 2.937 6.325 3.050) 7.611 11.714 ( 22.363 10.743 -3.516) 25.057 14.056 ( -3.841 -11.150 10.128) 15.545 14.843 ( -12.922 1.701 -14.131) 19.224======================= Grid point 1426 (459/580) =======================q-point: ( 0.50 0.33 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.706 ( 7.660 8.446 7.858) 13.847 3.167 ( 13.087 24.550 5.450) 28.349 4.483 ( 9.099 11.091 -6.421) 15.717 4.739 ( 15.285 19.619 -5.058) 25.380 5.757 ( 14.085 18.930 4.163) 23.959 7.153 ( -0.833 -2.858 1.309) 3.252 9.520 ( -12.549 20.068 -1.812) 23.738 10.077 ( 26.511 -2.359 -3.181) 26.805 10.641 ( 2.674 0.784 5.797) 6.432 12.097 ( 14.434 4.880 -8.900) 17.645 13.922 ( -4.922 -8.130 12.481) 15.688 14.619 ( -9.329 2.614 -11.786) 15.257======================= Grid point 1427 (460/580) =======================q-point: ( 0.56 0.33 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.955 ( 9.810 7.841 1.177) 12.613 3.620 ( 9.184 25.025 3.551) 26.893 4.668 ( 5.067 8.521 -3.954) 10.673 5.172 ( 15.015 15.531 -7.855) 22.986 6.181 ( 14.190 13.792 4.538) 20.302 7.146 ( 1.641 -1.406 3.457) 4.077 9.519 ( -10.317 20.764 -2.065) 23.277 10.487 ( 21.344 0.901 -1.326) 21.404 10.720 ( 7.636 -4.181 5.203) 10.142 12.226 ( 2.612 0.627 -14.577) 14.823 13.812 ( -6.108 -2.753 10.207) 12.210 14.522 ( -0.813 0.812 -4.738) 4.875======================= Grid point 1428 (461/580) =======================q-point: ( 0.61 0.33 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.194 ( 10.175 6.247 -3.337) 12.398 3.993 ( 4.669 24.208 2.375) 24.768 4.814 ( 2.820 9.596 -2.090) 10.217 5.482 ( 10.126 9.824 -9.170) 16.826 6.525 ( 10.824 8.243 3.970) 14.173 7.206 ( 5.155 -1.423 5.887) 7.953 9.559 ( -8.504 20.974 -2.317) 22.751 10.703 ( 5.273 -2.974 4.678) 7.651 10.945 ( 20.443 -2.741 -3.578) 20.934 12.147 ( -5.949 2.436 -14.287) 15.667 13.735 ( -4.487 0.338 5.729) 7.284 14.548 ( 4.453 -2.377 0.928) 5.133======================= Grid point 1429 (462/580) =======================q-point: ( 0.67 0.33 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.397 ( 9.098 4.229 -5.683) 11.530 4.271 ( -0.020 22.325 1.769) 22.395 4.938 ( 0.187 10.919 -0.542) 10.934 5.666 ( 6.384 6.140 -9.493) 12.983 6.720 ( 4.397 2.780 2.011) 5.577 7.332 ( 8.485 -2.710 8.844) 12.552 9.618 ( -8.168 20.851 -2.692) 22.555 10.715 ( 2.932 -10.086 -2.212) 10.734 11.224 ( 14.988 -0.686 -4.255) 15.595 12.044 ( -7.457 10.265 -7.770) 14.878 13.703 ( -1.226 -0.534 3.373) 3.628 14.605 ( 5.366 -4.948 2.195) 7.622======================= Grid point 1430 (463/580) =======================q-point: ( 0.72 0.33 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.545 ( 6.818 2.110 -6.447) 9.618 4.443 ( -4.874 19.653 1.453) 20.300 5.028 ( -2.999 12.075 0.543) 12.453 5.776 ( 4.815 3.948 -9.755) 11.573 6.766 ( 0.435 -1.366 1.046) 1.774 7.470 ( 7.361 -5.194 10.633) 13.936 9.660 ( -9.361 19.285 -2.934) 21.637 10.582 ( -2.503 -12.079 -10.262) 16.047 11.428 ( 11.648 -0.707 -2.771) 11.994 12.050 ( -6.351 16.380 -1.983) 17.679 13.694 ( 0.964 -3.435 2.732) 4.493 14.645 ( 5.158 -6.281 1.561) 8.276======================= Grid point 1431 (464/580) =======================q-point: (-0.22 0.33 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.620 ( 3.042 -0.096 -6.456) 7.138 4.498 ( -10.095 16.380 1.197) 19.278 5.074 ( -6.253 12.635 0.990) 14.132 5.849 ( 4.139 2.330 -10.755) 11.757 6.744 ( -0.141 -3.515 1.969) 4.031 7.526 ( 2.146 -8.440 10.978) 14.012 9.650 ( -10.525 15.106 -2.595) 18.593 10.367 ( -6.253 -6.236 -11.849) 14.778 11.589 ( 9.564 -3.055 -2.957) 10.467 12.099 ( -7.478 17.689 -0.968) 19.229 13.675 ( 0.919 -6.129 2.935) 6.857 14.678 ( 5.875 -6.321 0.946) 8.681======================= Grid point 1442 (465/580) =======================q-point: ( 0.39 0.39 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.304 ( -0.000 22.867 9.761) 24.863 2.440 ( -0.000 7.312 21.223) 22.447 3.815 ( 0.000 39.487 -4.942) 39.795 4.275 ( 0.000 5.318 -3.642) 6.446 5.142 ( -0.000 26.438 0.640) 26.446 7.279 ( 0.000 -8.191 -0.658) 8.217 9.081 ( 0.000 -3.925 -1.926) 4.372 10.171 ( 0.000 20.565 -2.583) 20.727 10.350 ( -0.000 15.901 1.289) 15.953 11.180 ( -0.000 9.607 2.296) 9.878 14.119 ( -0.000 -12.616 7.112) 14.482 15.112 ( 0.000 -0.020 -15.027) 15.027======================= Grid point 1443 (466/580) =======================q-point: ( 0.44 0.39 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.572 ( 0.989 9.126 14.339) 17.025 2.678 ( 11.413 21.706 8.481) 25.948 4.201 ( 4.222 32.733 -7.913) 33.939 4.377 ( 6.257 7.838 -2.721) 10.391 5.451 ( 3.931 27.363 2.288) 27.738 7.198 ( -1.191 -5.101 0.309) 5.247 9.193 ( 16.719 -3.334 -2.082) 17.175 10.133 ( -18.296 22.222 -2.122) 28.863 10.577 ( 2.945 8.041 2.783) 9.005 11.452 ( 18.086 8.110 3.195) 20.077 14.008 ( -1.077 -12.182 7.595) 14.396 14.991 ( -7.823 0.768 -15.293) 17.195======================= Grid point 1444 (467/580) =======================q-point: ( 0.50 0.39 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.728 ( 3.082 8.686 8.256) 12.373 3.171 ( 15.966 23.107 5.628) 28.644 4.467 ( 4.876 13.154 -6.342) 15.396 4.682 ( 11.922 20.575 -4.342) 24.173 5.812 ( 6.457 24.770 2.773) 25.747 7.146 ( -0.939 -2.311 1.581) 2.953 9.528 ( 25.044 -2.042 -2.050) 25.211 10.045 ( -16.655 22.897 -2.156) 28.396 10.648 ( 0.002 0.735 6.161) 6.204 11.850 ( 17.706 4.955 -1.912) 18.485 13.911 ( -0.614 -9.748 9.378) 13.541 14.787 ( -10.996 2.048 -13.603) 17.611======================= Grid point 1445 (468/580) =======================q-point: ( 0.56 0.39 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.908 ( 5.736 8.385 2.492) 10.460 3.685 ( 14.208 23.969 3.864) 28.130 4.652 ( 5.534 10.542 -4.888) 12.871 5.071 ( 12.866 16.600 -4.875) 21.561 6.163 ( 7.845 19.057 2.628) 20.776 7.131 ( -0.036 -0.654 2.806) 2.881 9.902 ( 3.097 13.844 0.074) 14.186 10.068 ( 10.985 8.231 -3.610) 14.193 10.660 ( 0.268 -2.736 6.621) 7.169 12.097 ( 9.176 1.430 -7.581) 11.988 13.859 ( -0.474 -6.003 9.840) 11.536 14.595 ( -8.360 1.944 -9.184) 12.570======================= Grid point 1446 (469/580) =======================q-point: ( 0.61 0.39 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.100 ( 7.352 7.159 -1.519) 10.374 4.139 ( 9.174 24.631 2.550) 26.408 4.833 ( 5.164 10.446 -3.268) 12.102 5.395 ( 10.111 11.940 -5.612) 16.622 6.467 ( 8.253 12.189 2.914) 15.005 7.148 ( 1.613 -1.051 3.736) 4.203 9.953 ( -11.603 22.692 0.215) 25.487 10.487 ( 26.736 0.416 -3.236) 26.934 10.646 ( 0.653 -5.544 3.864) 6.790 12.167 ( 1.571 2.349 -9.355) 9.772 13.822 ( -2.819 -2.216 6.294) 7.243 14.493 ( -1.668 -1.325 -2.696) 3.436======================= Grid point 1447 (470/580) =======================q-point: ( 0.67 0.39 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.283 ( 7.606 5.409 -3.706) 10.042 4.494 ( 3.043 24.343 1.622) 24.586 5.011 ( 4.052 11.154 -1.362) 11.946 5.611 ( 5.673 8.848 -6.577) 12.399 6.686 ( 5.095 5.813 2.267) 8.056 7.197 ( 5.344 -3.655 5.508) 8.501 9.993 ( -10.047 22.597 -0.214) 24.731 10.588 ( 0.064 -8.700 -0.862) 8.743 10.900 ( 21.228 0.969 -3.693) 21.569 12.185 ( -1.084 8.250 -6.364) 10.475 13.760 ( -4.257 -0.928 2.747) 5.151 14.475 ( 3.273 -5.755 1.358) 6.758======================= Grid point 1448 (471/580) =======================q-point: ( 0.72 0.39 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.436 ( 6.642 3.513 -4.567) 8.793 4.732 ( -2.922 22.463 1.007) 22.675 5.180 ( 1.506 13.201 0.426) 13.293 5.730 ( 2.597 6.437 -7.428) 10.166 6.757 ( -0.228 0.082 0.443) 0.505 7.297 ( 8.939 -6.753 8.101) 13.825 10.032 ( -11.020 20.181 -1.254) 23.028 10.481 ( -0.689 -7.980 -5.516) 9.725 11.194 ( 13.963 0.368 -3.919) 14.508 12.271 ( -1.106 15.244 -2.168) 15.437 13.682 ( -3.089 -3.317 1.570) 4.797 14.484 ( 5.187 -8.645 1.998) 10.278======================= Grid point 1449 (472/580) =======================q-point: ( 0.78 0.39 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.542 ( 4.396 1.659 -4.842) 6.747 4.844 ( -8.358 19.288 0.643) 21.031 5.316 ( -3.309 16.076 1.624) 16.494 5.788 ( 1.751 3.635 -8.626) 9.523 6.719 ( -1.184 -3.933 0.467) 4.134 7.388 ( 7.002 -9.797 9.003) 15.036 9.969 ( -12.330 8.645 -1.734) 15.159 10.412 ( -3.175 5.641 -7.561) 9.954 11.373 ( 9.942 -2.221 -4.146) 10.998 12.398 ( -4.721 19.200 -0.360) 19.775 13.604 ( -0.410 -7.196 1.748) 7.416 14.497 ( 6.371 -9.577 1.476) 11.597======================= Grid point 1461 (473/580) =======================q-point: ( 0.44 0.44 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.702 ( -0.000 8.092 11.497) 14.060 2.812 ( -0.000 22.695 6.126) 23.507 4.377 ( 0.000 6.635 -1.770) 6.867 4.469 ( 0.000 30.903 -8.478) 32.044 5.712 ( -0.000 29.273 1.919) 29.336 7.170 ( -0.000 -2.992 1.392) 3.300 9.018 ( 0.000 -1.282 -1.490) 1.966 10.506 ( 0.000 14.011 -1.615) 14.103 10.676 ( -0.000 16.171 0.675) 16.186 11.345 ( -0.000 3.404 9.283) 9.888 13.920 ( -0.000 -11.322 6.154) 12.887 15.010 ( 0.000 0.304 -15.540) 15.543======================= Grid point 1462 (474/580) =======================q-point: ( 0.50 0.44 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.815 ( 0.288 8.753 6.692) 11.021 3.157 ( 11.765 21.548 4.525) 24.964 4.478 ( 4.113 7.831 -2.084) 9.087 4.754 ( 4.075 24.313 -6.382) 25.465 6.016 ( 1.590 27.270 0.834) 27.329 7.155 ( -0.699 -0.046 2.483) 2.580 9.145 ( 15.535 -0.414 -1.302) 15.595 10.541 ( -11.934 19.655 -3.000) 23.189 10.715 ( -6.276 3.351 7.097) 10.049 11.591 ( 17.018 3.219 4.856) 17.988 13.842 ( 0.409 -8.830 6.154) 10.770 14.907 ( -6.276 0.860 -14.093) 15.452======================= Grid point 1463 (475/580) =======================q-point: ( 0.56 0.44 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.937 ( 2.031 8.839 2.652) 9.450 3.636 ( 17.299 20.596 3.165) 27.083 4.644 ( 5.951 9.419 -3.147) 11.577 5.044 ( 7.603 17.276 -3.226) 19.149 6.293 ( 2.084 21.768 -0.261) 21.869 7.160 ( -1.285 2.324 3.001) 4.007 9.499 ( 25.419 0.390 -1.369) 25.459 10.477 ( -17.163 19.825 0.627) 26.229 10.676 ( -1.667 -1.164 6.374) 6.690 11.896 ( 13.879 1.213 -0.884) 13.960 13.808 ( 1.667 -6.098 6.733) 9.236 14.739 ( -9.131 1.520 -10.915) 14.312======================= Grid point 1464 (476/580) =======================q-point: ( 0.61 0.44 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.077 ( 3.891 8.140 -0.066) 9.023 4.146 ( 16.781 20.215 2.227) 26.367 4.835 ( 5.767 10.743 -3.455) 12.673 5.328 ( 9.475 11.677 -1.539) 15.116 6.514 ( 2.869 14.650 -0.021) 14.928 7.168 ( -2.010 2.568 2.556) 4.143 9.978 ( 28.994 1.497 -1.763) 29.086 10.385 ( -12.904 12.876 5.329) 18.993 10.658 ( -3.420 2.705 1.084) 4.493 12.083 ( 7.883 1.898 -4.051) 9.064 13.812 ( 1.741 -4.405 5.906) 7.570 14.568 ( -8.252 0.646 -6.434) 10.484======================= Grid point 1465 (477/580) =======================q-point: ( 0.67 0.44 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.226 ( 4.989 6.785 -1.528) 8.559 4.604 ( 11.973 20.493 1.552) 23.785 5.026 ( 5.230 10.806 -2.478) 12.259 5.576 ( 7.853 9.075 -2.001) 12.167 6.684 ( 3.690 7.861 1.170) 8.762 7.152 ( -1.841 -0.439 2.036) 2.780 10.340 ( -7.135 9.446 6.611) 13.559 10.448 ( 20.559 -1.242 -4.682) 21.122 10.630 ( -0.521 7.088 -0.955) 7.171 12.209 ( 4.558 6.610 -3.963) 8.954 13.801 ( -0.799 -3.370 3.324) 4.800 14.433 ( -4.405 -2.985 -1.904) 5.651======================= Grid point 1466 (478/580) =======================q-point: ( 0.72 0.44 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.366 ( 5.076 5.094 -2.179) 7.514 4.954 ( 3.880 20.953 0.631) 21.318 5.218 ( 6.296 9.823 -0.457) 11.676 5.752 ( 3.215 8.983 -3.382) 10.123 6.780 ( -0.015 2.606 0.266) 2.620 7.131 ( 3.127 -6.147 3.952) 7.949 10.370 ( -4.497 10.967 3.627) 12.396 10.423 ( -4.870 -4.558 -4.381) 7.980 10.947 ( 16.713 7.979 -3.119) 18.781 12.369 ( 4.497 12.577 -1.709) 13.466 13.731 ( -4.452 -3.337 0.916) 5.639 14.344 ( 0.496 -8.025 0.903) 8.091======================= Grid point 1467 (479/580) =======================q-point: ( 0.78 0.44 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.480 ( 4.136 3.391 -2.591) 5.943 5.143 ( -4.216 18.338 -0.150) 18.817 5.438 ( 6.555 11.296 1.104) 13.107 5.838 ( -2.177 9.331 -4.383) 10.536 6.729 ( -4.484 -2.551 -1.617) 5.406 7.173 ( 8.332 -10.732 6.649) 15.126 10.210 ( -12.293 0.193 -3.292) 12.728 10.485 ( 3.361 7.168 0.670) 7.945 11.223 ( 7.781 7.608 -5.113) 12.024 12.592 ( 3.698 17.207 0.649) 17.611 13.593 ( -5.951 -6.019 -0.136) 8.465 14.297 ( 4.646 -11.324 1.651) 12.351======================= Grid point 1480 (480/580) =======================q-point: ( 0.50 0.50 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.920 ( -0.000 8.778 4.219) 9.739 3.270 ( -0.000 20.289 3.024) 20.513 4.506 ( 0.000 6.960 -0.232) 6.964 4.931 ( 0.000 21.086 -5.259) 21.732 6.267 ( 0.000 24.941 -1.255) 24.972 7.188 ( -0.000 3.597 3.262) 4.856 9.010 ( 0.000 1.127 -0.421) 1.203 10.698 ( -0.000 5.271 3.003) 6.067 10.991 ( -0.000 15.371 -0.074) 15.372 11.440 ( -0.000 -0.273 9.381) 9.384 13.779 ( -0.000 -6.157 4.171) 7.437 14.919 ( 0.000 0.431 -13.102) 13.109======================= Grid point 1481 (481/580) =======================q-point: ( 0.56 0.50 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.019 ( 0.113 9.031 2.182) 9.291 3.576 ( 11.757 18.325 1.814) 21.847 4.619 ( 4.951 7.213 -0.464) 8.761 5.124 ( 2.284 16.381 -2.250) 16.692 6.480 ( 0.022 18.970 -2.595) 19.146 7.242 ( -1.498 7.159 2.940) 7.883 9.156 ( 14.724 1.842 -0.039) 14.839 10.727 ( -2.500 -1.052 7.722) 8.185 10.943 ( -15.710 15.666 0.405) 22.190 11.652 ( 15.473 0.331 3.989) 15.982 13.753 ( 0.916 -3.507 3.424) 4.986 14.838 ( -5.074 0.699 -10.647) 11.814======================= Grid point 1482 (482/580) =======================q-point: ( 0.61 0.50 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.122 ( 1.083 8.805 1.106) 8.940 4.018 ( 18.354 16.378 1.067) 24.622 4.804 ( 7.761 8.270 -1.607) 11.454 5.318 ( 4.658 11.564 0.748) 12.489 6.625 ( 0.095 12.140 -2.274) 12.352 7.283 ( -3.976 8.324 1.184) 9.300 9.522 ( 24.723 2.300 -0.260) 24.831 10.615 ( -8.332 -6.435 12.632) 16.444 10.895 ( -10.044 18.142 -3.352) 21.006 11.911 ( 12.939 1.093 0.516) 12.995 13.757 ( 1.500 -2.666 3.060) 4.327 14.700 ( -8.048 0.802 -7.332) 10.916======================= Grid point 1483 (483/580) =======================q-point: ( 0.67 0.50 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.236 ( 2.166 7.871 0.689) 8.192 4.504 ( 19.211 14.792 0.768) 24.259 5.022 ( 7.441 10.004 -2.411) 12.698 5.519 ( 7.191 7.583 2.284) 10.697 6.716 ( 0.946 5.936 -0.608) 6.042 7.264 ( -6.854 6.227 -1.019) 9.316 10.003 ( 27.613 2.139 -1.513) 27.737 10.462 ( -5.957 -6.372 11.020) 14.054 10.888 ( -9.778 16.442 -2.378) 19.277 12.134 ( 10.130 5.157 -1.149) 11.425 13.760 ( 1.170 -3.840 2.418) 4.687 14.535 ( -9.107 -0.259 -4.112) 9.996======================= Grid point 1484 (484/580) =======================q-point: ( 0.72 0.50 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.352 ( 2.778 6.385 0.449) 6.978 4.953 ( 16.209 13.607 0.731) 21.176 5.225 ( 4.604 10.957 -1.811) 12.022 5.727 ( 8.090 6.297 1.511) 10.363 6.775 ( 2.125 0.298 1.239) 2.478 7.163 ( -8.567 1.672 -2.295) 9.026 10.360 ( 4.073 -7.082 5.660) 9.939 10.416 ( 9.245 1.607 -3.121) 9.889 10.924 ( -1.225 16.875 1.337) 16.972 12.367 ( 8.671 10.774 -1.331) 13.893 13.728 ( -0.308 -5.766 1.441) 5.951 14.358 ( -8.377 -3.148 -1.693) 9.107======================= Grid point 1485 (485/580) =======================q-point: ( 0.78 0.50 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1467Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.456 ( 2.732 4.732 -0.000) 5.464 5.321 ( 8.727 15.115 -0.000) 17.453 5.380 ( 4.244 7.351 -0.000) 8.489 5.916 ( 4.836 8.376 -0.000) 9.672 6.784 ( -1.508 -2.611 -0.000) 3.015 7.018 ( -3.496 -6.055 -0.000) 6.992 10.360 ( -0.479 -0.830 -0.000) 0.959 10.436 ( -1.553 -2.689 0.000) 3.105 11.200 ( 9.273 16.061 -0.000) 18.546 12.637 ( 8.412 14.570 -0.000) 16.824 13.636 ( -3.839 -6.649 -0.000) 7.677 14.185 ( -4.545 -7.872 -0.000) 9.090======================= Grid point 1500 (486/580) =======================q-point: ( 0.56 0.56 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.116 ( -0.000 9.136 1.960) 9.344 3.645 ( -0.000 16.187 0.626) 16.199 4.640 ( -0.000 6.224 0.470) 6.242 5.251 ( -0.000 13.632 -0.167) 13.633 6.630 ( 0.000 13.155 -3.391) 13.585 7.358 ( -0.000 11.228 1.440) 11.320 9.052 ( -0.000 2.699 1.018) 2.884 10.772 ( -0.000 -1.731 9.480) 9.637 11.274 ( 0.000 13.311 -0.709) 13.330 11.467 ( -0.000 -1.793 5.894) 6.161 13.734 ( -0.000 -0.600 1.331) 1.461 14.852 ( 0.000 0.389 -8.955) 8.964======================= Grid point 1501 (487/580) =======================q-point: ( 0.61 0.56 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.211 ( -0.184 9.056 2.340) 9.356 3.899 ( 11.823 13.709 -0.087) 18.104 4.749 ( 5.617 5.871 0.004) 8.125 5.386 ( 1.338 10.557 2.299) 10.887 6.719 ( -0.390 7.906 -2.816) 8.402 7.451 ( -3.137 11.824 -1.195) 12.291 9.210 ( 14.200 2.990 1.405) 14.580 10.719 ( -6.321 -6.466 13.146) 15.956 11.222 ( -10.516 12.308 -1.076) 16.224 11.683 ( 14.794 1.212 2.333) 15.026 13.740 ( 0.035 0.541 0.354) 0.648 14.791 ( -4.392 0.455 -6.471) 7.834======================= Grid point 1502 (488/580) =======================q-point: ( 0.67 0.56 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.305 ( 0.083 8.355 2.897) 8.843 4.294 ( 19.037 11.225 -0.356) 22.103 4.942 ( 9.798 6.365 -0.994) 11.726 5.522 ( 2.753 7.538 4.398) 9.151 6.758 ( -0.659 3.639 -1.579) 4.021 7.462 ( -7.037 9.414 -3.825) 12.360 9.578 ( 23.797 2.892 0.917) 23.990 10.551 ( -8.324 -8.534 13.073) 17.692 11.190 ( -8.538 13.060 -1.196) 15.649 11.959 ( 14.590 3.250 0.927) 14.977 13.736 ( -0.796 -0.747 -0.014) 1.092 14.672 ( -7.766 0.383 -4.063) 8.773======================= Grid point 1503 (489/580) =======================q-point: ( 0.72 0.56 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.397 ( 0.530 6.973 3.067) 7.637 4.738 ( 20.556 8.682 -0.215) 22.315 5.191 ( 10.802 8.321 -1.809) 13.755 5.664 ( 5.167 4.637 5.526) 8.873 6.760 ( -0.602 -0.543 -0.032) 0.811 7.367 ( -10.778 5.670 -5.745) 13.466 10.027 ( 23.540 0.030 -0.361) 23.543 10.404 ( -3.377 -5.321 9.602) 11.485 11.167 ( -7.875 11.641 1.476) 14.132 12.261 ( 14.313 7.522 -0.144) 16.170 13.690 ( -1.869 -3.998 -0.048) 4.414 14.507 ( -10.371 -0.261 -2.421) 10.653======================= Grid point 1520 (490/580) =======================q-point: ( 0.61 0.61 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.314 ( -0.000 8.883 3.763) 9.647 3.915 ( 0.000 11.163 -0.767) 11.190 4.749 ( -0.000 4.412 0.147) 4.414 5.484 ( -0.000 8.858 4.166) 9.789 6.775 ( 0.000 4.718 -2.488) 5.333 7.589 ( 0.000 11.400 -3.961) 12.069 9.123 ( -0.000 3.061 2.472) 3.935 10.763 ( -0.000 -7.887 15.580) 17.463 11.478 ( -0.000 1.178 1.610) 1.995 11.499 ( 0.000 9.882 -1.127) 9.946 13.756 ( 0.000 2.320 -1.149) 2.589 14.813 ( 0.000 0.365 -4.752) 4.766======================= Grid point 1521 (491/580) =======================q-point: ( 0.67 0.61 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.408 ( -0.631 8.096 4.974) 9.522 4.115 ( 11.868 8.455 -1.035) 14.608 4.843 ( 6.416 3.599 -0.402) 7.368 5.586 ( 0.673 7.125 5.998) 9.338 6.795 ( -0.812 2.204 -1.887) 3.013 7.635 ( -4.241 8.505 -6.420) 11.469 9.283 ( 13.837 2.770 2.683) 14.364 10.651 ( -7.662 -10.440 15.932) 20.531 11.423 ( -6.004 9.218 -0.584) 11.016 11.740 ( 13.509 3.226 0.435) 13.896 13.762 ( -1.502 1.762 -1.747) 2.900 14.768 ( -4.161 0.530 -2.991) 5.152======================= Grid point 1523 (492/580) =======================q-point: (-0.28 -0.39 -0.78)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.484 ( -0.930 6.571 5.398) 8.555 4.456 ( 19.303 5.576 -1.040) 20.119 5.036 ( 12.087 3.699 -0.969) 12.677 5.688 ( 1.248 5.441 7.546) 9.387 6.777 ( -1.814 -0.269 -1.194) 2.189 7.566 ( -8.496 4.689 -8.172) 12.687 9.635 ( 22.158 1.456 1.891) 22.286 10.461 ( -6.983 -9.343 13.128) 17.562 11.409 ( -7.305 9.554 1.117) 12.078 12.038 ( 17.245 3.641 0.520) 17.633 13.718 ( -3.808 -0.648 -1.884) 4.298 14.662 ( -7.973 0.697 -1.832) 8.211======================= Grid point 1541 (493/580) =======================q-point: (-0.33 -0.33 -0.78)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.510 ( -0.000 7.003 6.554) 9.592 4.076 ( 0.000 5.734 -1.260) 5.871 4.810 ( 0.000 1.892 -0.720) 2.024 5.671 ( -0.000 6.392 7.716) 10.019 6.812 ( 0.000 0.980 -1.904) 2.141 7.717 ( 0.000 5.417 -8.670) 10.223 9.198 ( -0.000 2.234 3.609) 4.245 10.668 ( -0.000 -13.021 17.987) 22.205 11.560 ( -0.000 6.823 0.085) 6.824 11.642 ( 0.000 5.202 -1.371) 5.380 13.790 ( 0.000 1.843 -2.509) 3.113 14.803 ( 0.000 0.865 -1.774) 1.974======================= Grid point 1542 (494/580) =======================q-point: (-0.28 -0.33 -0.78)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.584 ( -1.106 5.053 7.111) 8.793 4.218 ( 11.782 2.746 -1.317) 12.169 4.884 ( 7.331 1.028 -0.980) 7.467 5.762 ( 0.140 5.650 9.348) 10.924 6.798 ( -1.357 -0.370 -1.880) 2.348 7.679 ( -4.565 1.432 -10.272) 11.331 9.347 ( 13.236 1.317 3.533) 13.762 10.526 ( -6.695 -12.764 15.749) 21.349 11.604 ( -4.192 9.014 1.243) 10.019 11.795 ( 12.861 2.164 -0.451) 13.050 13.769 ( -2.750 0.069 -2.796) 3.923 14.773 ( -4.232 1.399 -1.018) 4.572======================= Grid point 1561 (495/580) =======================q-point: (-0.28 -0.28 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.658 ( -0.000 2.503 7.840) 8.230 4.122 ( 0.000 -0.321 -1.389) 1.426 4.817 ( 0.000 -0.325 -1.212) 1.254 5.852 ( -0.000 5.558 11.173) 12.479 6.797 ( 0.000 -0.945 -2.422) 2.600 7.675 ( 0.000 -2.818 -11.858) 12.188 9.254 ( -0.000 0.629 4.203) 4.250 10.509 ( -0.000 -14.183 16.203) 21.534 11.681 ( 0.000 -0.298 -1.539) 1.567 11.745 ( -0.000 10.752 2.554) 11.051 13.778 ( 0.000 -1.500 -3.190) 3.525 14.825 ( 0.000 2.271 -0.599) 2.349======================= Grid point 1734 (496/580) =======================q-point: ( 0.28 0.28 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 570Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.301 ( -0.000 0.000 20.713) 20.713 1.301 ( -0.000 0.000 20.713) 20.713 2.383 ( -0.000 0.000 38.473) 38.473 4.204 ( 0.000 -0.000 -6.516) 6.516 4.204 ( 0.000 -0.000 -6.516) 6.516 8.279 ( 0.000 -0.000 -16.278) 16.278 9.456 ( -0.000 0.000 0.372) 0.372 9.456 ( -0.000 0.000 0.372) 0.372 9.592 ( -0.000 0.000 -0.013) 0.013 9.592 ( 0.000 -0.000 -0.013) 0.013 14.437 ( -0.000 0.000 6.744) 6.744 15.304 ( 0.000 -0.000 -1.933) 1.933======================= Grid point 1735 (497/580) =======================q-point: ( 0.33 0.28 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.534 ( 12.125 7.000 16.798) 21.868 1.675 ( 22.619 13.059 19.295) 32.472 2.549 ( 5.480 3.164 29.710) 30.376 4.229 ( 2.877 1.661 -6.532) 7.328 4.289 ( 10.227 5.905 -5.229) 12.915 7.853 ( -20.575 -11.879 -4.979) 24.274 9.308 ( -7.041 -4.065 -0.445) 8.142 9.616 ( 12.842 7.414 -2.885) 15.106 9.768 ( 10.043 5.798 0.850) 11.627 10.211 ( 39.679 22.909 -11.650) 47.275 14.426 ( -3.044 -1.758 6.747) 7.608 15.216 ( -7.184 -4.148 -3.731) 9.096======================= Grid point 1736 (498/580) =======================q-point: ( 0.39 0.28 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.927 ( 17.351 10.017 11.840) 23.272 2.164 ( 10.487 6.055 24.784) 27.584 2.974 ( 27.664 15.972 8.329) 33.012 4.288 ( 4.168 2.406 -6.177) 7.831 4.614 ( 18.532 10.699 -1.674) 21.464 7.485 ( -11.176 -6.452 -2.086) 13.072 9.167 ( -4.854 -2.803 -1.268) 5.747 9.931 ( 14.634 8.449 -4.573) 17.506 10.022 ( 11.695 6.752 1.626) 13.602 11.046 ( 35.478 20.483 -12.171) 42.736 14.345 ( -6.112 -3.529 8.172) 10.798 14.967 ( -12.162 -7.022 -7.395) 15.871======================= Grid point 1737 (499/580) =======================q-point: ( 0.44 0.28 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.382 ( 19.124 11.041 7.856) 23.438 2.410 ( 6.999 4.041 19.077) 20.718 3.737 ( 35.006 20.211 -1.511) 40.449 4.373 ( 4.940 2.852 -5.423) 7.871 5.090 ( 22.449 12.961 1.834) 25.986 7.291 ( -5.825 -3.363 -1.357) 6.862 9.081 ( -2.222 -1.283 -1.974) 3.237 10.221 ( 11.708 6.760 -3.641) 14.001 10.310 ( 12.871 7.431 2.143) 15.016 11.718 ( 26.102 15.070 -9.889) 31.721 14.204 ( -9.566 -5.523 12.501) 16.682 14.663 ( -10.111 -5.838 -11.762) 16.573======================= Grid point 1738 (500/580) =======================q-point: ( 0.50 0.28 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.655 ( 10.159 5.865 9.866) 15.328 2.839 ( 18.711 10.803 5.057) 22.190 4.473 ( 5.181 2.991 -4.308) 7.372 4.481 ( 30.368 17.533 -5.918) 35.562 5.620 ( 22.479 12.979 4.033) 26.268 7.197 ( -2.315 -1.337 0.315) 2.692 9.052 ( 0.318 0.184 -2.569) 2.595 10.444 ( 8.630 4.983 -0.197) 9.967 10.620 ( 13.485 7.786 2.375) 15.752 12.137 ( 13.458 7.770 -14.222) 21.066 13.984 ( -12.860 -7.425 12.840) 19.631 14.494 ( -1.185 -0.684 -8.251) 8.364======================= Grid point 1739 (501/580) =======================q-point: ( 0.56 0.28 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.930 ( 11.860 6.848 2.130) 13.860 3.259 ( 16.720 9.653 3.278) 19.583 4.577 ( 4.912 2.836 -2.941) 6.389 5.056 ( 21.921 12.656 -8.964) 26.852 6.118 ( 19.262 11.121 4.933) 22.783 7.191 ( 1.365 0.788 2.960) 3.354 9.073 ( 2.278 1.315 -3.078) 4.049 10.626 ( 7.135 4.119 3.270) 8.864 10.934 ( 13.180 7.609 2.343) 15.398 12.220 ( -0.646 -0.373 -21.291) 21.304 13.765 ( -8.455 -4.881 9.285) 13.473 14.525 ( 4.120 2.379 -0.150) 4.760======================= Grid point 1740 (502/580) =======================q-point: ( 0.61 0.28 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.197 ( 11.435 6.602 -3.303) 13.611 3.616 ( 13.566 7.832 2.270) 15.828 4.674 ( 4.142 2.392 -1.486) 5.009 5.425 ( 13.660 7.887 -10.439) 18.914 6.506 ( 12.877 7.435 4.293) 15.477 7.282 ( 5.171 2.985 6.123) 8.552 9.128 ( 3.267 1.886 -3.521) 5.161 10.799 ( 6.966 4.022 4.095) 9.026 11.227 ( 11.613 6.705 2.129) 13.578 12.003 ( -10.341 -5.971 -23.123) 26.024 13.679 ( -1.647 -0.951 6.076) 6.366 14.637 ( 4.515 2.607 3.117) 6.074======================= Grid point 1741 (503/580) =======================q-point: ( 0.67 0.28 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.421 ( 9.533 5.504 -6.383) 12.724 3.889 ( 9.597 5.541 1.744) 11.218 4.752 ( 2.896 1.672 -0.142) 3.347 5.635 ( 8.488 4.901 -10.406) 14.295 6.724 ( 5.406 3.121 2.369) 6.677 7.452 ( 6.761 3.903 9.342) 12.174 9.190 ( 3.142 1.814 -3.888) 5.318 10.946 ( 3.827 2.209 -1.825) 4.781 11.468 ( 8.663 5.002 1.849) 10.173 11.673 ( -10.082 -5.821 -16.873) 20.500 13.705 ( 1.798 1.038 3.957) 4.469 14.733 ( 2.800 1.617 2.777) 4.262======================= Grid point 1742 (504/580) =======================q-point: ( 0.72 0.28 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.583 ( 6.529 3.770 -7.616) 10.716 4.062 ( 4.994 2.884 1.470) 5.952 4.802 ( 1.310 0.756 0.848) 1.734 5.763 ( 6.114 3.530 -10.281) 12.472 6.795 ( 0.852 0.492 1.544) 1.831 7.616 ( 3.776 2.180 11.245) 12.060 9.238 ( 2.082 1.202 -4.132) 4.780 10.845 ( -9.997 -5.772 -16.239) 19.924 11.572 ( 4.534 2.618 -2.476) 5.791 11.626 ( 4.536 2.619 1.623) 5.484 13.761 ( 1.540 0.889 3.170) 3.635 14.786 ( 1.502 0.867 1.432) 2.249======================= Grid point 1753 (505/580) =======================q-point: ( 0.33 0.33 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.529 ( -0.000 10.987 17.256) 20.457 1.787 ( -0.000 27.368 17.794) 32.644 2.660 ( -0.000 5.823 27.329) 27.943 4.158 ( 0.000 1.112 -5.881) 5.985 4.315 ( 0.000 13.738 -5.613) 14.840 7.853 ( 0.000 -21.315 -6.477) 22.277 9.335 ( 0.000 -8.187 -0.847) 8.231 9.480 ( 0.000 8.691 -0.499) 8.706 9.767 ( -0.000 12.774 0.920) 12.807 10.206 ( 0.000 40.779 -9.658) 41.907 14.447 ( -0.000 -3.830 6.605) 7.635 15.236 ( 0.000 -4.176 -4.527) 6.159======================= Grid point 1754 (506/580) =======================q-point: ( 0.39 0.33 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.837 ( 12.420 14.544 13.124) 23.196 2.183 ( 7.390 16.688 22.783) 29.191 2.889 ( 8.522 19.331 10.666) 23.666 4.207 ( 4.922 2.109 -5.490) 7.669 4.522 ( 7.903 18.176 -2.817) 20.019 7.558 ( -8.402 -12.874 -3.109) 15.684 9.370 ( -9.905 7.356 -0.789) 12.362 9.481 ( 16.206 -5.252 -2.390) 17.203 10.071 ( 9.904 15.675 0.677) 18.554 10.739 ( 22.076 30.645 -9.718) 38.999 14.396 ( -2.662 -6.179 7.184) 9.843 15.087 ( -9.448 -4.738 -7.320) 12.857======================= Grid point 1755 (507/580) =======================q-point: ( 0.44 0.33 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.274 ( 14.695 17.739 8.770) 24.648 2.436 ( 3.223 4.711 21.939) 22.669 3.449 ( 24.276 28.350 -1.979) 37.375 4.308 ( 5.213 4.245 -5.232) 8.519 4.914 ( 15.918 18.868 1.037) 24.708 7.336 ( -5.500 -6.612 -1.773) 8.782 9.253 ( -12.175 11.435 -1.254) 16.751 9.787 ( 25.403 -7.908 -3.018) 26.776 10.351 ( 5.412 14.391 0.826) 15.398 11.396 ( 26.379 19.723 -7.583) 33.799 14.292 ( -4.421 -8.187 10.155) 13.773 14.804 ( -14.105 -3.148 -10.735) 18.002======================= Grid point 1756 (508/580) =======================q-point: ( 0.50 0.33 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.609 ( 6.032 4.957 12.943) 15.116 2.738 ( 13.901 19.861 5.734) 24.912 4.144 ( 26.576 21.180 -5.553) 34.434 4.438 ( 5.554 8.293 -4.382) 10.901 5.412 ( 19.621 17.190 3.452) 26.313 7.216 ( -2.562 -3.303 -0.507) 4.211 9.182 ( -9.090 12.226 -1.843) 15.346 10.142 ( 23.917 -4.707 -2.274) 24.481 10.562 ( 5.458 9.139 2.755) 10.995 11.911 ( 18.165 10.938 -10.328) 23.585 14.143 ( -8.396 -9.194 13.537) 18.392 14.539 ( -8.567 0.741 -11.273) 14.178======================= Grid point 1757 (509/580) =======================q-point: ( 0.56 0.33 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.825 ( 9.098 6.145 4.959) 12.047 3.177 ( 12.165 20.095 3.494) 23.749 4.516 ( 6.706 5.360 -3.910) 9.434 4.808 ( 20.404 18.290 -6.930) 28.264 5.921 ( 19.414 14.073 4.571) 24.410 7.178 ( 0.610 -1.035 1.356) 1.812 9.169 ( -6.230 12.868 -2.356) 14.489 10.475 ( 17.147 0.221 0.120) 17.149 10.759 ( 10.331 2.579 3.488) 11.205 12.135 ( 4.929 3.510 -16.874) 17.927 13.924 ( -11.383 -5.416 8.632) 15.278 14.483 ( 2.071 1.639 -1.646) 3.112======================= Grid point 1758 (510/580) =======================q-point: ( 0.61 0.33 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.063 ( 10.418 6.136 -1.033) 12.135 3.566 ( 9.287 19.001 2.293) 21.273 4.648 ( 3.772 6.330 -2.180) 7.684 5.239 ( 15.073 11.651 -8.663) 20.928 6.361 ( 15.534 9.868 4.748) 19.006 7.229 ( 4.598 0.620 3.621) 5.885 9.202 ( -4.263 13.296 -2.806) 14.242 10.713 ( 8.613 2.340 3.686) 9.656 11.004 ( 16.576 -1.820 0.401) 16.680 12.062 ( -6.906 0.474 -19.925) 21.093 13.757 ( -6.454 -1.109 5.113) 8.308 14.575 ( 5.603 0.423 3.815) 6.791======================= Grid point 1759 (511/580) =======================q-point: ( 0.67 0.33 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.285 ( 9.963 5.171 -4.727) 12.180 3.880 ( 5.620 17.042 1.727) 18.027 4.758 ( 1.827 6.938 -0.769) 7.215 5.505 ( 9.471 6.959 -9.002) 14.804 6.655 ( 8.309 4.826 3.330) 10.170 7.370 ( 8.431 1.317 6.550) 10.757 9.259 ( -3.547 13.418 -3.203) 14.244 10.847 ( 5.567 -2.564 0.304) 6.137 11.253 ( 14.732 -3.214 -2.392) 15.267 11.848 ( -11.785 5.462 -14.351) 19.357 13.711 ( -0.773 0.480 3.437) 3.556 14.678 ( 4.956 -1.350 4.061) 6.548======================= Grid point 1760 (512/580) =======================q-point: ( 0.72 0.33 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.467 ( 8.150 3.627 -6.492) 11.033 4.102 ( 1.341 14.528 1.469) 14.664 4.839 ( -0.403 7.092 0.342) 7.112 5.662 ( 6.367 4.381 -8.856) 11.754 6.776 ( 2.534 0.755 1.797) 3.197 7.556 ( 8.220 -0.022 9.117) 12.275 9.315 ( -4.108 13.084 -3.483) 14.149 10.796 ( -1.962 -11.622 -11.989) 16.812 11.429 ( 10.470 -0.982 -1.846) 10.677 11.755 ( -6.315 12.796 -2.758) 14.533 13.739 ( 1.964 -0.330 2.810) 3.444 14.740 ( 3.531 -2.689 2.466) 5.077======================= Grid point 1772 (513/580) =======================q-point: ( 0.39 0.39 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.928 ( -0.000 18.324 12.349) 22.097 2.369 ( -0.000 12.576 24.268) 27.333 3.077 ( -0.000 28.680 2.098) 28.757 4.171 ( 0.000 3.725 -4.256) 5.656 4.652 ( 0.000 22.476 -2.136) 22.577 7.482 ( 0.000 -13.298 -2.909) 13.612 9.179 ( 0.000 -6.529 -1.484) 6.696 9.762 ( 0.000 18.768 -0.813) 18.785 10.049 ( -0.000 14.823 1.063) 14.861 10.826 ( 0.000 26.786 -5.077) 27.263 14.367 ( -0.000 -9.013 7.119) 11.485 15.099 ( 0.000 -3.960 -10.407) 11.135======================= Grid point 1773 (514/580) =======================q-point: ( 0.44 0.39 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.263 ( 11.169 19.985 9.332) 24.723 2.533 ( 0.241 4.731 21.518) 22.033 3.474 ( 9.153 35.525 -5.172) 37.048 4.246 ( 4.799 4.992 -3.618) 7.814 4.941 ( 6.619 24.482 0.448) 25.365 7.330 ( -3.098 -8.480 -1.672) 9.181 9.282 ( 17.800 -6.272 -2.071) 18.987 9.709 ( -18.237 19.383 -0.887) 26.628 10.364 ( 9.503 13.313 0.783) 16.376 11.199 ( 16.723 19.499 -1.178) 25.715 14.277 ( -1.572 -11.092 8.367) 13.983 14.946 ( -8.959 -2.215 -13.066) 15.997======================= Grid point 1774 (515/580) =======================q-point: ( 0.50 0.39 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.629 ( 3.120 5.701 12.766) 14.325 2.743 ( 12.842 21.020 7.116) 25.639 4.001 ( 15.531 28.775 -6.754) 33.389 4.401 ( 7.114 8.436 -3.144) 11.475 5.346 ( 11.924 23.025 2.522) 26.052 7.216 ( -2.179 -4.478 -0.467) 5.002 9.526 ( -1.018 9.882 -1.005) 9.985 9.674 ( 10.459 4.763 -2.673) 11.799 10.579 ( 3.799 7.781 2.664) 9.060 11.681 ( 19.041 12.306 -2.780) 22.841 14.165 ( -2.047 -11.608 11.269) 16.307 14.700 ( -12.254 1.044 -13.973) 18.615======================= Grid point 1775 (516/580) =======================q-point: ( 0.56 0.39 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.779 ( 5.269 5.805 6.222) 10.009 3.215 ( 12.279 24.239 3.873) 27.447 4.422 ( 10.473 11.720 -5.281) 16.581 4.692 ( 13.608 18.781 -4.166) 23.563 5.796 ( 14.675 18.843 3.389) 24.123 7.164 ( -0.297 -1.905 0.797) 2.086 9.505 ( -13.083 20.391 -1.172) 24.255 10.049 ( 27.080 -2.800 -2.372) 27.327 10.694 ( 3.000 2.072 4.452) 5.754 12.007 ( 10.116 5.553 -8.700) 14.452 14.043 ( -5.287 -8.840 10.626) 14.799 14.512 ( -5.783 2.796 -8.648) 10.772======================= Grid point 1776 (517/580) =======================q-point: ( 0.61 0.39 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.965 ( 7.802 6.170 0.702) 9.972 3.650 ( 8.701 24.897 2.294) 26.473 4.633 ( 5.974 8.603 -2.696) 10.815 5.100 ( 13.642 15.689 -6.110) 21.670 6.224 ( 14.654 13.404 3.908) 20.241 7.175 ( 2.505 -0.602 2.041) 3.286 9.501 ( -10.849 21.233 -1.470) 23.889 10.475 ( 23.995 0.023 -0.821) 24.009 10.763 ( 4.961 -3.895 2.842) 6.918 12.086 ( -0.247 2.641 -12.713) 12.987 13.889 ( -7.920 -2.847 4.614) 9.598 14.501 ( 3.073 -0.095 0.978) 3.226======================= Grid point 1777 (518/580) =======================q-point: ( 0.67 0.39 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.163 ( 8.707 5.506 -2.804) 10.676 4.013 ( 4.485 24.116 1.485) 24.574 4.798 ( 3.491 9.733 -1.025) 10.391 5.400 ( 9.154 10.169 -6.940) 15.341 6.564 ( 10.485 7.599 3.616) 13.444 7.255 ( 6.693 -0.703 3.766) 7.712 9.538 ( -9.126 21.535 -1.744) 23.454 10.737 ( 3.363 -4.186 1.541) 5.586 10.904 ( 20.558 -3.639 -4.148) 21.286 12.020 ( -5.916 5.945 -10.402) 13.362 13.774 ( -4.974 0.012 1.990) 5.357 14.575 ( 5.494 -3.346 4.152) 7.656======================= Grid point 1778 (519/580) =======================q-point: ( 0.72 0.39 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.344 ( 8.123 4.201 -4.601) 10.238 4.286 ( -0.020 22.216 1.168) 22.247 4.936 ( 0.618 11.148 0.215) 11.167 5.581 ( 5.737 6.329 -7.165) 11.150 6.740 ( 3.807 2.040 1.913) 4.723 7.410 ( 10.129 -2.087 6.462) 12.194 9.593 ( -8.775 21.395 -1.986) 23.210 10.662 ( -0.629 -11.366 -8.313) 14.096 11.192 ( 15.443 -0.729 -1.771) 15.561 11.984 ( -5.548 12.753 -4.062) 14.488 13.728 ( -1.024 -0.861 1.585) 2.074 14.634 ( 5.006 -5.607 3.394) 8.247======================= Grid point 1791 (520/580) =======================q-point: ( 0.44 0.44 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.395 ( -0.000 21.420 7.956) 22.850 2.640 ( -0.000 3.301 17.467) 17.776 3.750 ( 0.000 37.788 -7.409) 38.508 4.245 ( 0.000 5.840 -2.159) 6.227 5.151 ( -0.000 27.663 0.936) 27.679 7.270 ( 0.000 -7.158 -0.906) 7.216 9.064 ( 0.000 -3.967 -1.421) 4.214 10.150 ( 0.000 19.878 -1.636) 19.945 10.360 ( -0.000 15.848 0.625) 15.860 11.222 ( -0.000 13.743 5.840) 14.932 14.194 ( -0.000 -12.994 7.623) 15.065 14.957 ( 0.000 -1.267 -15.553) 15.605======================= Grid point 1792 (521/580) =======================q-point: ( 0.50 0.44 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.695 ( 2.574 10.390 9.268) 14.158 2.761 ( 8.452 15.714 7.647) 19.412 4.122 ( 4.221 32.133 -7.186) 33.196 4.356 ( 6.100 8.370 -1.307) 10.439 5.471 ( 4.301 27.645 1.443) 28.015 7.201 ( -1.122 -4.014 0.177) 4.172 9.175 ( 16.403 -3.188 -1.486) 16.776 10.115 ( -18.050 21.572 -1.333) 28.159 10.601 ( 4.383 9.664 1.682) 10.744 11.502 ( 14.475 9.527 6.531) 18.519 14.089 ( 0.002 -12.948 8.231) 15.343 14.832 ( -7.243 0.759 -16.000) 17.580======================= Grid point 1793 (522/580) =======================q-point: ( 0.56 0.44 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.800 ( 1.720 6.098 5.519) 8.403 3.220 ( 15.570 22.423 3.738) 27.553 4.409 ( 4.845 15.142 -4.809) 16.610 4.650 ( 11.573 19.193 -1.980) 22.499 5.833 ( 7.011 24.119 1.279) 25.149 7.160 ( -0.814 -1.292 1.064) 1.861 9.510 ( 25.080 -1.957 -1.493) 25.200 10.028 ( -16.811 22.913 -1.109) 28.440 10.702 ( 0.482 2.417 4.321) 4.974 11.844 ( 13.305 5.056 0.821) 14.257 14.006 ( 0.732 -10.973 9.203) 14.340 14.649 ( -9.370 2.973 -13.306) 16.543======================= Grid point 1794 (523/580) =======================q-point: ( 0.61 0.44 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.928 ( 4.344 6.844 1.467) 8.238 3.716 ( 13.857 23.690 2.187) 27.532 4.611 ( 5.934 10.803 -2.881) 12.658 5.033 ( 11.745 17.185 -2.545) 20.970 6.183 ( 8.802 18.122 1.356) 20.192 7.153 ( 0.192 0.038 1.492) 1.504 9.902 ( 4.890 13.543 -0.090) 14.399 10.040 ( 8.838 9.286 -1.923) 12.962 10.716 ( -0.298 -2.469 4.072) 4.771 12.034 ( 5.725 2.380 -4.407) 7.607 13.945 ( -1.255 -6.921 6.515) 9.587 14.515 ( -4.792 2.240 -6.196) 8.147======================= Grid point 1795 (524/580) =======================q-point: ( 0.67 0.44 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.087 ( 6.123 6.570 -1.042) 9.042 4.158 ( 8.915 24.548 1.124) 26.141 4.810 ( 5.902 10.322 -1.171) 11.947 5.349 ( 8.518 12.884 -3.488) 15.834 6.492 ( 9.106 11.384 2.050) 14.722 7.176 ( 2.323 -0.753 1.743) 3.000 9.956 ( -12.497 24.199 0.414) 27.239 10.457 ( 26.646 -0.975 -2.799) 26.810 10.674 ( -0.786 -5.448 1.292) 5.654 12.091 ( 0.340 4.354 -5.234) 6.817 13.863 ( -4.424 -2.177 1.710) 5.219 14.483 ( 1.517 -2.396 0.947) 2.990======================= Grid point 1796 (525/580) =======================q-point: ( 0.72 0.44 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.252 ( 6.590 5.500 -2.354) 8.901 4.505 ( 2.979 24.197 0.480) 24.385 5.007 ( 4.729 11.165 0.526) 12.136 5.554 ( 4.296 9.598 -4.568) 11.465 6.705 ( 4.770 4.899 1.474) 6.995 7.242 ( 7.146 -3.331 3.369) 8.573 9.994 ( -11.158 23.819 0.410) 26.306 10.553 ( -1.378 -9.170 -6.377) 11.254 10.878 ( 20.273 0.605 -0.537) 20.289 12.140 ( -0.550 10.074 -2.472) 10.388 13.773 ( -4.488 -0.980 -0.090) 4.594 14.498 ( 4.157 -6.728 3.052) 8.477======================= Grid point 1811 (526/580) =======================q-point: ( 0.50 0.50 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.798 ( -0.000 5.055 7.029) 8.658 2.865 ( -0.000 21.589 4.295) 22.012 4.366 ( 0.000 7.003 -0.242) 7.008 4.395 ( 0.000 31.226 -5.632) 31.730 5.724 ( -0.000 28.770 0.365) 28.773 7.182 ( -0.000 -1.834 1.056) 2.116 9.007 ( 0.000 -1.087 -0.647) 1.265 10.486 ( 0.000 14.923 -2.127) 15.074 10.678 ( -0.000 16.050 -0.109) 16.050 11.465 ( -0.000 4.126 14.019) 14.614 13.984 ( -0.000 -12.331 6.300) 13.847 14.847 ( 0.000 1.243 -16.432) 16.479======================= Grid point 1812 (527/580) =======================q-point: ( 0.56 0.50 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.868 ( -0.164 6.756 3.573) 7.645 3.194 ( 11.724 20.671 2.673) 23.914 4.462 ( 2.729 8.862 -0.910) 9.317 4.710 ( 5.190 24.388 -2.222) 25.032 6.015 ( 1.831 26.121 -0.940) 26.202 7.176 ( -0.746 0.921 1.613) 2.002 9.136 ( 15.207 -0.116 -0.366) 15.212 10.513 ( -11.884 19.023 -2.474) 22.566 10.772 ( -4.003 6.328 3.951) 8.466 11.669 ( 12.523 1.816 10.388) 16.372 13.903 ( 1.362 -10.098 5.707) 11.679 14.761 ( -5.499 2.469 -14.438) 15.646======================= Grid point 1813 (528/580) =======================q-point: ( 0.61 0.50 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.959 ( 1.359 7.842 1.504) 8.099 3.660 ( 17.321 20.046 1.443) 26.532 4.620 ( 4.994 9.942 -1.520) 11.229 5.029 ( 7.860 17.909 0.376) 19.562 6.283 ( 2.802 20.670 -1.687) 20.927 7.182 ( -1.395 2.722 1.368) 3.350 9.490 ( 24.953 0.641 -0.450) 24.966 10.475 ( -15.444 22.168 -0.565) 27.023 10.739 ( -3.336 -1.692 5.210) 6.414 11.910 ( 10.309 0.610 3.812) 11.008 13.869 ( 2.519 -7.569 5.069) 9.452 14.631 ( -7.454 3.071 -10.060) 12.892======================= Grid point 1814 (529/580) =======================q-point: ( 0.67 0.50 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.079 ( 3.076 7.952 0.487) 8.540 4.161 ( 16.812 19.976 0.635) 26.117 4.811 ( 5.743 10.641 -1.280) 12.160 5.325 ( 8.366 12.785 1.059) 15.316 6.508 ( 4.094 14.048 -1.059) 14.671 7.183 ( -1.923 2.218 0.405) 2.963 9.963 ( 28.324 1.314 -1.136) 28.378 10.427 ( -14.424 19.562 3.245) 24.521 10.673 ( -3.294 -2.353 1.205) 4.224 12.063 ( 5.823 2.339 0.318) 6.283 13.857 ( 1.357 -5.226 2.766) 6.066 14.512 ( -5.793 1.063 -4.411) 7.358======================= Grid point 1815 (530/580) =======================q-point: ( 0.72 0.50 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1467Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.218 ( 4.099 7.100 -0.000) 8.199 4.612 ( 11.847 20.520 -0.000) 23.695 5.013 ( 5.987 10.369 -0.000) 11.973 5.566 ( 5.937 10.283 -0.000) 11.874 6.690 ( 4.392 7.607 -0.000) 8.783 7.163 ( -0.712 -1.234 -0.000) 1.425 10.387 ( 3.354 5.809 -0.000) 6.708 10.411 ( 3.789 6.563 -0.000) 7.578 10.626 ( 2.529 4.381 -0.000) 5.058 12.189 ( 4.152 7.192 -0.000) 8.305 13.818 ( -1.825 -3.161 -0.000) 3.650 14.423 ( -2.189 -3.791 -0.000) 4.378======================= Grid point 1831 (531/580) =======================q-point: ( 0.56 0.56 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.952 ( -0.000 7.733 1.947) 7.975 3.293 ( -0.000 19.475 1.415) 19.526 4.510 ( -0.000 7.047 0.914) 7.106 4.901 ( -0.000 22.173 -0.677) 22.183 6.246 ( 0.000 23.714 -2.758) 23.874 7.214 ( -0.000 4.113 1.697) 4.449 9.012 ( -0.000 1.475 0.647) 1.611 10.707 ( 0.000 8.685 -0.911) 8.733 10.987 ( 0.000 15.280 -0.830) 15.302 11.578 ( -0.000 -3.257 17.102) 17.409 13.817 ( -0.000 -7.395 3.135) 8.032 14.784 ( 0.000 2.542 -13.236) 13.478======================= Grid point 1832 (532/580) =======================q-point: ( 0.61 0.56 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.038 ( -0.077 8.841 1.599) 8.985 3.587 ( 11.841 17.725 0.366) 21.320 4.619 ( 4.193 7.280 0.502) 8.417 5.123 ( 2.670 17.291 2.076) 17.619 6.448 ( 0.331 18.427 -3.593) 18.777 7.260 ( -1.613 6.704 0.656) 6.927 9.161 ( 14.352 2.213 1.057) 14.560 10.763 ( -1.745 6.061 0.044) 6.308 10.968 ( -14.894 11.980 3.672) 19.463 11.728 ( 12.067 -2.732 10.993) 16.550 13.780 ( 1.583 -4.781 1.842) 5.362 14.731 ( -4.399 2.820 -10.194) 11.455======================= Grid point 1833 (533/580) =======================q-point: ( 0.67 0.56 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.138 ( 0.650 9.167 2.002) 9.405 4.022 ( 18.551 16.015 -0.247) 24.509 4.794 ( 6.968 8.257 -0.335) 10.810 5.343 ( 4.681 12.333 4.114) 13.818 6.598 ( 0.779 12.420 -3.025) 12.807 7.282 ( -4.015 6.981 -1.372) 8.169 9.525 ( 23.975 2.576 0.803) 24.126 10.717 ( -7.048 -4.309 6.339) 10.413 10.877 ( -11.878 18.252 0.317) 21.779 11.940 ( 10.837 -0.230 5.278) 12.056 13.778 ( 2.165 -3.798 1.004) 4.485 14.629 ( -6.956 2.313 -6.370) 9.711======================= Grid point 1851 (534/580) =======================q-point: ( 0.61 0.61 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.138 ( -0.000 9.649 2.404) 9.944 3.646 ( -0.000 15.714 -0.488) 15.722 4.647 ( -0.000 5.973 0.986) 6.054 5.271 ( -0.000 14.505 4.058) 15.062 6.592 ( 0.000 13.517 -3.945) 14.081 7.359 ( 0.000 9.718 -1.296) 9.804 9.068 ( -0.000 3.084 2.114) 3.739 10.832 ( -0.000 3.781 2.432) 4.496 11.264 ( 0.000 13.293 -1.331) 13.360 11.580 ( -0.000 -7.355 15.883) 17.504 13.739 ( 0.000 -1.550 -0.390) 1.598 14.763 ( 0.000 2.601 -8.350) 8.746======================= Grid point 1853 (535/580) =======================q-point: (-0.33 -0.39 -0.72)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.242 ( -0.375 9.884 3.695) 10.559 3.894 ( 11.924 13.425 -0.991) 17.983 4.751 ( 5.225 5.575 0.419) 7.653 5.429 ( 1.421 11.217 5.935) 12.770 6.688 ( -0.142 8.677 -3.193) 9.247 7.424 ( -3.134 9.932 -3.986) 11.151 9.230 ( 13.779 3.329 2.446) 14.385 10.820 ( -5.685 -1.405 6.193) 8.523 11.228 ( -11.242 11.088 2.002) 15.916 11.734 ( 13.609 -2.538 8.003) 15.990 13.735 ( 0.462 -0.200 -1.336) 1.428 14.728 ( -4.029 2.287 -5.718) 7.359======================= Grid point 1872 (536/580) =======================q-point: (-0.33 -0.33 -0.72)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.361 ( -0.000 9.865 5.392) 11.242 3.904 ( 0.000 11.029 -1.343) 11.111 4.751 ( -0.000 3.939 0.158) 3.942 5.544 ( -0.000 9.448 7.550) 12.094 6.749 ( 0.000 5.396 -2.579) 5.980 7.534 ( 0.000 9.611 -6.773) 11.758 9.153 ( -0.000 3.374 3.373) 4.771 10.892 ( -0.000 -2.109 9.112) 9.353 11.486 ( 0.000 9.918 -1.568) 10.041 11.534 ( -0.000 -4.849 9.794) 10.929 13.738 ( 0.000 1.954 -2.526) 3.194 14.768 ( 0.000 2.025 -4.058) 4.535======================= Grid point 2084 (537/580) =======================q-point: ( 0.33 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 580Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.494 ( -0.000 0.000 17.008) 17.008 1.494 ( -0.000 0.000 17.008) 17.008 2.743 ( -0.000 0.000 31.828) 31.828 4.138 ( 0.000 -0.000 -6.232) 6.232 4.138 ( 0.000 -0.000 -6.232) 6.232 8.116 ( 0.000 -0.000 -15.349) 15.349 9.460 ( -0.000 0.000 0.329) 0.329 9.460 ( -0.000 0.000 0.329) 0.329 9.591 ( -0.000 0.000 -0.014) 0.014 9.591 ( 0.000 -0.000 -0.014) 0.014 14.504 ( -0.000 0.000 6.314) 6.314 15.283 ( 0.000 -0.000 -2.130) 2.130======================= Grid point 2085 (538/580) =======================q-point: ( 0.39 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.688 ( 10.529 6.079 13.330) 18.042 1.855 ( 23.794 13.737 16.017) 31.802 2.820 ( -0.614 -0.355 23.288) 23.299 4.163 ( 2.908 1.679 -6.253) 7.098 4.243 ( 11.486 6.631 -3.771) 13.788 7.790 ( -16.951 -9.787 -6.848) 20.737 9.304 ( -7.430 -4.290 -0.174) 8.581 9.583 ( 11.684 6.746 -3.495) 13.937 9.776 ( 10.451 6.034 0.680) 12.087 10.123 ( 35.696 20.609 -6.069) 41.663 14.492 ( -2.838 -1.639 6.123) 6.945 15.181 ( -8.284 -4.783 -3.188) 10.082======================= Grid point 2086 (539/580) =======================q-point: ( 0.44 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.034 ( 15.852 9.152 8.953) 20.376 2.409 ( 12.061 6.963 23.126) 26.996 3.029 ( 20.616 11.903 2.372) 23.923 4.226 ( 4.380 2.529 -5.872) 7.749 4.606 ( 19.929 11.506 0.038) 23.012 7.459 ( -10.443 -6.029 -2.770) 12.373 9.157 ( -5.232 -3.021 -0.816) 6.096 9.882 ( 14.601 8.430 -4.865) 17.548 10.037 ( 12.012 6.935 1.393) 13.940 10.939 ( 35.516 20.505 -8.786) 41.940 14.426 ( -4.613 -2.663 7.505) 9.203 14.901 ( -14.186 -8.190 -5.512) 17.283======================= Grid point 2087 (540/580) =======================q-point: ( 0.50 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.450 ( 18.076 10.436 5.481) 21.580 2.598 ( 3.100 1.790 17.341) 17.707 3.707 ( 33.689 19.450 -4.176) 39.124 4.319 ( 5.322 3.073 -5.079) 7.973 5.113 ( 23.403 13.512 2.564) 27.145 7.277 ( -5.287 -3.052 -1.401) 6.263 9.063 ( -2.580 -1.490 -1.413) 3.298 10.186 ( 12.861 7.425 -3.157) 15.183 10.330 ( 13.073 7.548 1.866) 15.211 11.611 ( 25.137 14.513 -10.881) 30.998 14.338 ( -7.385 -4.264 13.806) 16.227 14.551 ( -11.591 -6.692 -10.295) 16.886======================= Grid point 2088 (541/580) =======================q-point: ( 0.56 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.749 ( 6.617 3.820 8.451) 11.393 2.881 ( 18.095 10.447 3.213) 21.140 4.421 ( 29.206 16.862 -5.730) 34.208 4.431 ( 5.694 3.287 -3.958) 7.674 5.661 ( 23.052 13.309 3.920) 26.906 7.198 ( -1.408 -0.813 -0.042) 1.626 9.029 ( -0.016 -0.009 -1.974) 1.974 10.444 ( 10.233 5.908 0.320) 11.820 10.642 ( 13.568 7.833 2.070) 15.803 11.977 ( 10.697 6.176 -16.848) 20.890 14.086 ( -14.530 -8.389 5.942) 17.798 14.454 ( 2.163 1.249 1.577) 2.954======================= Grid point 2089 (542/580) =======================q-point: ( 0.61 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.950 ( 9.150 5.283 1.644) 10.692 3.287 ( 16.427 9.484 1.992) 19.072 4.548 ( 5.497 3.173 -2.657) 6.881 4.973 ( 20.896 12.064 -7.107) 25.154 6.167 ( 19.429 11.217 4.710) 22.923 7.214 ( 2.629 1.518 1.588) 3.426 9.045 ( 1.971 1.138 -2.503) 3.383 10.658 ( 8.080 4.665 3.078) 9.825 10.957 ( 13.163 7.600 2.030) 15.335 11.997 ( -2.333 -1.347 -22.222) 22.385 13.829 ( -8.602 -4.966 3.369) 10.489 14.560 ( 4.833 2.791 6.846) 8.832======================= Grid point 2090 (543/580) =======================q-point: ( 0.67 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.165 ( 9.639 5.565 -2.889) 11.499 3.636 ( 13.458 7.770 1.495) 15.612 4.659 ( 4.732 2.732 -1.340) 5.626 5.332 ( 13.128 7.579 -7.686) 16.996 6.550 ( 12.212 7.050 4.271) 14.734 7.333 ( 6.891 3.979 3.851) 8.840 9.094 ( 2.995 1.729 -2.985) 4.568 10.831 ( 6.001 3.465 1.956) 7.201 11.248 ( 11.542 6.664 1.825) 13.451 11.774 ( -9.181 -5.301 -21.489) 23.962 13.723 ( -1.870 -1.079 2.824) 3.555 14.687 ( 3.807 2.198 6.421) 7.782======================= Grid point 2103 (544/580) =======================q-point: ( 0.39 0.39 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.688 ( -0.000 9.889 13.630) 16.840 1.946 ( -0.000 29.095 13.363) 32.017 2.904 ( -0.000 -1.454 20.363) 20.415 4.103 ( 0.000 1.539 -4.731) 4.975 4.264 ( 0.000 14.834 -4.349) 15.459 7.780 ( 0.000 -17.437 -7.451) 18.963 9.327 ( 0.000 -8.613 -0.848) 8.655 9.479 ( -0.000 8.406 0.174) 8.408 9.776 ( -0.000 13.016 0.731) 13.036 10.129 ( 0.000 37.940 -5.633) 38.356 14.510 ( -0.000 -3.597 5.722) 6.759 15.193 ( 0.000 -6.540 -3.872) 7.601======================= Grid point 2104 (545/580) =======================q-point: ( 0.44 0.39 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.955 ( 10.776 13.761 9.798) 20.038 2.395 ( 10.569 22.097 18.439) 30.659 2.968 ( 3.294 8.521 4.933) 10.383 4.156 ( 4.368 2.720 -4.401) 6.771 4.502 ( 9.323 19.203 -1.181) 21.379 7.522 ( -7.451 -11.639 -3.578) 14.275 9.364 ( -8.640 6.244 -0.367) 10.667 9.457 ( 13.634 -4.020 -2.129) 14.373 10.077 ( 9.552 15.805 0.482) 18.474 10.661 ( 21.401 31.946 -5.735) 38.878 14.465 ( -2.054 -5.315 6.248) 8.456 15.019 ( -9.507 -7.935 -5.949) 13.738======================= Grid point 2105 (546/580) =======================q-point: ( 0.50 0.39 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.349 ( 13.361 17.409 5.820) 22.704 2.646 ( 0.573 1.646 18.995) 19.075 3.409 ( 24.134 26.829 -5.542) 36.510 4.259 ( 4.926 4.912 -4.266) 8.160 4.929 ( 16.990 19.505 1.641) 25.919 7.318 ( -5.105 -6.085 -1.625) 8.107 9.244 ( -12.637 11.397 -0.544) 17.026 9.756 ( 25.474 -7.719 -2.868) 26.772 10.359 ( 5.754 15.052 0.859) 16.137 11.324 ( 24.279 21.628 -6.416) 33.142 14.395 ( -2.023 -6.545 9.894) 12.034 14.703 ( -14.868 -6.443 -8.873) 18.475======================= Grid point 2106 (547/580) =======================q-point: ( 0.56 0.39 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.723 ( 4.329 3.452 8.914) 10.494 2.787 ( 11.922 18.498 4.136) 22.393 4.088 ( 26.395 20.359 -4.868) 33.688 4.397 ( 5.524 8.840 -3.661) 11.049 5.446 ( 20.270 17.526 2.962) 26.959 7.210 ( -2.098 -2.729 -0.522) 3.482 9.167 ( -9.561 12.220 -1.080) 15.554 10.122 ( 24.818 -4.842 -1.675) 25.342 10.587 ( 5.929 10.169 2.211) 11.977 11.800 ( 14.237 11.835 -11.279) 21.679 14.266 ( -12.101 -10.039 8.212) 17.738 14.451 ( -2.231 0.798 -3.589) 4.301======================= Grid point 2107 (548/580) =======================q-point: ( 0.61 0.39 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.868 ( 6.769 4.210 3.226) 8.600 3.204 ( 11.741 20.041 1.711) 23.290 4.481 ( 7.527 5.676 -2.783) 9.829 4.746 ( 19.096 17.881 -5.108) 26.654 5.964 ( 19.935 14.196 3.832) 24.771 7.188 ( 1.322 -0.388 0.437) 1.445 9.149 ( -6.700 12.917 -1.586) 14.638 10.480 ( 19.340 -0.256 0.780) 19.358 10.787 ( 9.366 2.954 1.956) 10.014 11.961 ( 1.212 4.884 -16.890) 17.624 13.972 ( -12.381 -4.862 0.960) 13.336 14.513 ( 5.134 0.292 7.342) 8.964======================= Grid point 2108 (549/580) =======================q-point: ( 0.67 0.39 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.052 ( 8.647 4.940 -1.164) 10.026 3.583 ( 9.192 18.998 1.083) 21.133 4.629 ( 4.217 6.717 -1.472) 8.067 5.164 ( 14.281 11.419 -5.843) 19.196 6.408 ( 15.518 9.643 4.333) 18.777 7.255 ( 5.803 1.388 1.586) 6.174 9.177 ( -4.740 13.411 -2.051) 14.371 10.747 ( 8.747 2.388 2.745) 9.474 10.998 ( 16.340 -4.255 -1.778) 16.978 11.872 ( -8.169 4.147 -16.910) 19.232 13.786 ( -6.132 -1.150 0.888) 6.302 14.636 ( 5.673 -0.786 8.017) 9.852======================= Grid point 2123 (550/580) =======================q-point: ( 0.44 0.44 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.038 ( -0.000 17.065 9.106) 19.343 2.598 ( -0.000 16.546 20.459) 26.312 3.064 ( 0.000 19.371 -4.559) 19.901 4.137 ( 0.000 4.249 -2.467) 4.913 4.637 ( 0.000 23.834 -0.927) 23.852 7.451 ( 0.000 -11.926 -2.980) 12.292 9.166 ( 0.000 -6.704 -1.176) 6.806 9.760 ( -0.000 18.167 0.447) 18.172 10.058 ( -0.000 14.828 0.554) 14.838 10.793 ( 0.000 30.360 -1.595) 30.402 14.436 ( -0.000 -8.098 6.397) 10.320 14.999 ( 0.000 -7.760 -9.312) 12.121======================= Grid point 2124 (551/580) =======================q-point: ( 0.50 0.44 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.343 ( 10.375 19.251 6.272) 22.750 2.729 ( -1.105 0.610 16.317) 16.366 3.405 ( 9.690 35.070 -7.619) 37.174 4.218 ( 4.260 5.639 -1.890) 7.315 4.948 ( 7.331 25.278 0.623) 26.327 7.313 ( -2.833 -7.620 -1.398) 8.249 9.262 ( 17.373 -6.165 -1.652) 18.508 9.705 ( -18.532 19.026 0.163) 26.560 10.370 ( 9.897 13.485 0.379) 16.732 11.199 ( 14.641 23.193 1.282) 27.457 14.363 ( -0.416 -10.286 8.453) 13.320 14.816 ( -8.609 -5.427 -12.395) 16.038======================= Grid point 2125 (552/580) =======================q-point: ( 0.56 0.44 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.729 ( 4.627 7.574 6.532) 11.021 2.807 ( 8.908 15.797 5.128) 18.847 3.939 ( 15.973 28.349 -4.806) 32.892 4.375 ( 6.553 9.246 -1.754) 11.468 5.367 ( 12.612 23.114 1.534) 26.375 7.212 ( -1.993 -3.783 -0.326) 4.288 9.518 ( 1.038 8.663 -0.530) 8.741 9.652 ( 7.956 6.004 -1.457) 10.074 10.601 ( 4.593 8.722 1.570) 9.982 11.659 ( 14.651 14.374 -1.556) 20.583 14.283 ( -0.524 -12.485 11.919) 17.269 14.561 ( -10.791 0.338 -13.272) 17.108======================= Grid point 2126 (553/580) =======================q-point: ( 0.61 0.44 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.827 ( 3.798 3.929 2.966) 6.218 3.243 ( 11.725 24.149 1.535) 26.889 4.381 ( 11.429 12.273 -2.454) 16.949 4.657 ( 12.122 18.591 -2.524) 22.337 5.824 ( 15.455 18.576 2.053) 24.251 7.169 ( -0.063 -1.287 0.196) 1.303 9.497 ( -13.566 20.581 -0.298) 24.651 10.030 ( 27.597 -3.040 -1.300) 27.794 10.727 ( 3.037 2.756 1.968) 4.549 11.926 ( 5.525 7.390 -7.005) 11.585 14.117 ( -9.074 -8.222 2.510) 12.500 14.464 ( 1.156 0.867 0.465) 1.518======================= Grid point 2127 (554/580) =======================q-point: ( 0.67 0.44 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.967 ( 6.491 5.135 -0.240) 8.280 3.665 ( 8.524 24.902 0.514) 26.325 4.615 ( 6.392 8.877 -0.685) 10.960 5.050 ( 12.453 15.854 -3.572) 20.474 6.259 ( 15.432 13.025 2.924) 20.405 7.187 ( 2.991 -0.072 0.378) 3.016 9.491 ( -11.396 21.602 -0.570) 24.430 10.471 ( 25.770 -0.951 0.016) 25.787 10.773 ( 2.560 -3.881 -1.124) 4.783 11.975 ( -2.734 5.664 -8.863) 10.868 13.904 ( -8.750 -2.170 -1.381) 9.120 14.542 ( 5.753 -2.360 6.831) 9.238======================= Grid point 2143 (555/580) =======================q-point: ( 0.50 0.50 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.462 ( -0.000 20.424 5.034) 21.036 2.782 ( -0.000 -0.661 9.805) 9.827 3.677 ( 0.000 38.442 -6.117) 38.925 4.233 ( -0.000 6.249 -0.169) 6.251 5.158 ( -0.000 28.158 0.297) 28.160 7.262 ( 0.000 -6.205 -0.609) 6.235 9.053 ( 0.000 -3.882 -0.771) 3.958 10.139 ( -0.000 18.848 -0.399) 18.852 10.363 ( -0.000 15.727 -0.090) 15.728 11.296 ( -0.000 18.137 8.477) 20.021 14.274 ( -0.000 -13.144 8.095) 15.436 14.798 ( 0.000 -3.154 -15.655) 15.970======================= Grid point 2144 (556/580) =======================q-point: ( 0.56 0.50 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.760 ( 5.459 13.939 3.862) 15.460 2.821 ( 4.855 8.971 3.465) 10.773 4.065 ( 4.283 32.616 -3.571) 33.089 4.352 ( 5.789 8.820 0.477) 10.561 5.478 ( 4.605 27.396 -0.016) 27.780 7.203 ( -1.090 -3.219 0.217) 3.405 9.163 ( 16.028 -2.924 -0.694) 16.308 10.107 ( -17.635 20.769 -0.313) 27.248 10.610 ( 5.520 10.545 0.210) 11.904 11.583 ( 10.414 11.905 9.245) 18.320 14.175 ( 1.136 -14.092 8.603) 16.549 14.669 ( -6.386 0.599 -15.909) 17.153======================= Grid point 2145 (557/580) =======================q-point: ( 0.61 0.50 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.836 ( 1.186 4.783 1.396) 5.122 3.245 ( 15.279 22.111 1.176) 26.902 4.376 ( 4.926 16.180 -1.431) 16.974 4.642 ( 10.834 19.046 0.395) 21.916 5.837 ( 7.664 23.354 -0.413) 24.583 7.168 ( -0.853 -0.722 0.446) 1.203 9.499 ( 24.906 -1.749 -0.652) 24.976 10.023 ( -16.717 22.697 0.090) 28.189 10.731 ( 0.878 3.618 1.279) 3.936 11.868 ( 8.364 6.218 4.095) 11.198 14.090 ( 0.710 -12.482 6.585) 14.130 14.525 ( -6.195 3.510 -10.267) 12.494======================= Grid point 2146 (558/580) =======================q-point: ( 0.67 0.50 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1467Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.936 ( 3.676 6.367 -0.000) 7.352 3.727 ( 13.653 23.647 -0.000) 27.305 4.596 ( 6.254 10.832 -0.000) 12.508 5.020 ( 10.371 17.964 -0.000) 20.743 6.190 ( 9.988 17.300 -0.000) 19.976 7.161 ( 0.186 0.322 -0.000) 0.372 9.901 ( 7.183 12.441 -0.000) 14.365 10.030 ( 6.197 10.733 -0.000) 12.394 10.737 ( -1.124 -1.947 -0.000) 2.248 12.011 ( 2.302 3.987 -0.000) 4.604 13.981 ( -3.694 -6.398 -0.000) 7.388 14.481 ( 0.297 0.514 0.000) 0.593======================= Grid point 2163 (559/580) =======================q-point: ( 0.56 0.56 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.839 ( -0.000 3.741 0.941) 3.858 2.897 ( -0.000 20.865 1.838) 20.946 4.360 ( 0.000 32.120 -1.066) 32.138 4.372 ( -0.000 7.137 1.448) 7.282 5.719 ( 0.000 28.019 -1.365) 28.052 7.191 ( -0.000 -1.140 0.701) 1.339 9.005 ( -0.000 -0.790 0.272) 0.836 10.466 ( 0.000 14.524 -1.786) 14.633 10.673 ( 0.000 15.918 -0.875) 15.942 11.623 ( -0.000 6.281 16.778) 17.915 14.047 ( -0.000 -13.848 5.887) 15.047 14.680 ( 0.000 2.164 -16.031) 16.176======================= Grid point 2164 (560/580) =======================q-point: ( 0.61 0.56 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.886 ( -0.126 6.437 -0.140) 6.439 3.211 ( 11.631 20.206 0.455) 23.319 4.462 ( 1.615 9.547 0.927) 9.726 4.709 ( 5.879 24.687 1.935) 25.451 5.997 ( 2.090 25.113 -2.553) 25.329 7.187 ( -0.844 1.270 0.590) 1.635 9.138 ( 14.859 0.255 0.638) 14.875 10.492 ( -11.091 17.963 -1.640) 21.175 10.795 ( -2.451 8.441 0.575) 8.808 11.799 ( 7.704 1.945 14.719) 16.727 13.954 ( 2.070 -11.776 3.971) 12.599 14.620 ( -4.311 3.962 -12.838) 14.110======================= Grid point 2184 (561/580) =======================q-point: (-0.39 -0.39 -0.67)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.960 ( -0.000 8.393 -0.244) 8.396 3.299 ( -0.000 19.016 -0.355) 19.020 4.525 ( -0.000 6.834 1.945) 7.106 4.917 ( -0.000 23.179 3.753) 23.480 6.212 ( 0.000 22.890 -3.938) 23.226 7.222 ( -0.000 3.908 0.012) 3.908 9.023 ( -0.000 1.874 1.659) 2.503 10.687 ( 0.000 9.692 -2.591) 10.032 10.975 ( 0.000 15.221 -1.505) 15.295 11.775 ( -0.000 -3.712 21.103) 21.428 13.839 ( -0.000 -8.858 0.949) 8.908 14.656 ( 0.000 4.496 -11.489) 12.337======================= Grid point 2437 (562/580) =======================q-point: ( 0.39 0.39 0.39)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 570Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.644 ( -0.000 0.000 12.245) 12.245 1.644 ( -0.000 0.000 12.245) 12.245 3.024 ( -0.000 0.000 23.073) 23.073 4.080 ( 0.000 -0.000 -5.001) 5.001 4.080 ( 0.000 -0.000 -5.001) 5.001 7.974 ( 0.000 -0.000 -12.177) 12.177 9.463 ( -0.000 0.000 0.246) 0.246 9.463 ( -0.000 0.000 0.246) 0.246 9.591 ( 0.000 0.000 -0.013) 0.013 9.591 ( 0.000 -0.000 -0.013) 0.013 14.562 ( -0.000 0.000 5.015) 5.015 15.262 ( 0.000 -0.000 -1.937) 1.937======================= Grid point 2438 (563/580) =======================q-point: ( 0.44 0.39 0.39)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.801 ( 9.344 5.395 8.693) 13.856 1.996 ( 24.951 14.405 11.351) 30.966 3.016 ( -5.442 -3.142 15.031) 16.292 4.105 ( 2.801 1.617 -4.977) 5.936 4.214 ( 12.964 7.485 -1.809) 15.078 7.723 ( -13.975 -8.069 -5.922) 17.189 9.304 ( -7.710 -4.452 0.107) 8.904 9.548 ( 10.258 5.922 -3.232) 12.277 9.782 ( 10.816 6.245 0.441) 12.497 10.080 ( 33.032 19.071 -2.698) 38.238 14.547 ( -2.594 -1.498 4.557) 5.453 15.153 ( -8.917 -5.148 -2.313) 10.554======================= Grid point 2439 (564/580) =======================q-point: ( 0.50 0.39 0.39)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.106 ( 14.798 8.544 4.968) 17.795 2.630 ( 16.111 9.301 20.138) 27.416 3.020 ( 12.953 7.478 -4.064) 15.499 4.172 ( 4.451 2.570 -4.600) 6.897 4.612 ( 20.936 12.087 1.018) 24.196 7.433 ( -9.637 -5.564 -2.103) 11.325 9.151 ( -5.540 -3.199 -0.293) 6.404 9.835 ( 14.755 8.519 -4.301) 17.572 10.050 ( 12.312 7.108 1.018) 14.253 10.865 ( 34.059 19.664 -5.988) 39.781 14.491 ( -3.163 -1.826 4.927) 6.133 14.859 ( -15.363 -8.870 -2.367) 17.897======================= Grid point 2440 (565/580) =======================q-point: ( 0.56 0.39 0.39)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.490 ( 17.444 10.071 2.272) 20.270 2.751 ( -0.453 -0.262 12.030) 12.042 3.662 ( 33.845 19.540 -4.009) 39.286 4.273 ( 5.559 3.209 -3.889) 7.505 5.138 ( 24.021 13.868 2.166) 27.821 7.265 ( -4.902 -2.830 -0.912) 5.734 9.052 ( -2.913 -1.682 -0.717) 3.439 10.158 ( 14.074 8.126 -2.204) 16.400 10.347 ( 13.279 7.667 1.396) 15.397 11.500 ( 22.738 13.128 -10.957) 28.450 14.448 ( -6.653 -3.841 -7.359) 10.638 14.488 ( -11.021 -6.363 12.841) 18.079======================= Grid point 2441 (566/580) =======================q-point: ( 0.61 0.39 0.39)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.819 ( 4.075 2.353 4.779) 6.707 2.902 ( 17.863 10.313 0.812) 20.643 4.373 ( 28.505 16.457 -3.294) 33.079 4.395 ( 6.051 3.494 -2.954) 7.586 5.697 ( 23.623 13.639 2.919) 27.433 7.196 ( -0.925 -0.534 -0.368) 1.130 9.012 ( -0.364 -0.210 -1.177) 1.250 10.451 ( 11.592 6.692 1.056) 13.426 10.661 ( 13.672 7.893 1.551) 15.863 11.800 ( 7.943 4.586 -17.691) 19.927 14.096 ( -13.889 -8.019 -3.079) 16.331 14.531 ( 2.839 1.639 12.401) 12.827======================= Grid point 2457 (567/580) =======================q-point: ( 0.44 0.44 0.39)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.802 ( -0.000 9.388 8.758) 12.839 2.055 ( -0.000 30.111 7.830) 31.113 3.068 ( -0.000 -6.945 11.707) 13.612 4.065 ( 0.000 2.037 -2.700) 3.382 4.229 ( 0.000 16.002 -2.580) 16.209 7.711 ( 0.000 -14.729 -5.603) 15.759 9.318 ( 0.000 -8.919 -0.758) 8.951 9.484 ( -0.000 8.542 0.902) 8.590 9.782 ( -0.000 13.103 0.466) 13.111 10.087 ( 0.000 36.323 -2.967) 36.444 14.560 ( -0.000 -3.243 3.882) 5.059 15.159 ( 0.000 -8.436 -2.813) 8.892======================= Grid point 2458 (568/580) =======================q-point: ( 0.50 0.44 0.39)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.032 ( 9.293 13.576 5.261) 17.273 2.550 ( 15.457 29.194 11.400) 34.945 2.993 ( -2.153 -2.509 0.465) 3.339 4.120 ( 3.489 3.435 -2.489) 5.492 4.496 ( 10.545 19.769 -0.151) 22.406 7.491 ( -6.550 -10.678 -2.345) 12.744 9.362 ( -5.404 4.067 -0.070) 6.764 9.439 ( 8.880 -1.397 -1.297) 9.082 10.081 ( 9.348 15.920 0.256) 18.463 10.619 ( 20.426 32.767 -2.621) 38.701 14.518 ( -1.594 -4.083 3.922) 5.882 14.969 ( -9.043 -10.939 -3.657) 14.657======================= Grid point 2459 (569/580) =======================q-point: ( 0.56 0.44 0.39)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.389 ( 12.321 17.441 1.963) 21.444 2.806 ( -2.403 -2.360 11.075) 11.576 3.351 ( 26.103 27.868 -4.724) 38.475 4.224 ( 4.378 5.587 -2.524) 7.534 4.944 ( 17.720 19.700 1.177) 26.523 7.305 ( -4.808 -5.751 -0.761) 7.535 9.242 ( -13.120 11.473 0.241) 17.431 9.730 ( 25.524 -7.369 -2.221) 26.660 10.367 ( 6.147 15.465 0.610) 16.653 11.266 ( 20.999 22.909 -5.025) 31.481 14.474 ( -0.944 -2.404 3.324) 4.209 14.641 ( -13.702 -11.905 -1.103) 18.185======================= Grid point 2460 (570/580) =======================q-point: ( 0.61 0.44 0.39)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.775 ( 8.147 9.791 1.233) 12.797 2.824 ( 6.135 10.414 2.587) 12.361 4.054 ( 26.443 20.211 -1.407) 33.312 4.366 ( 5.221 9.215 -2.271) 10.832 5.470 ( 20.871 17.663 1.658) 27.392 7.206 ( -1.960 -2.454 -0.378) 3.164 9.161 ( -10.062 12.282 -0.198) 15.878 10.109 ( 25.809 -4.889 -0.755) 26.279 10.605 ( 6.241 10.550 1.184) 12.315 11.686 ( 9.705 13.134 -10.902) 19.635 14.258 ( -15.011 -6.783 -7.070) 17.925 14.515 ( 3.406 -3.446 13.352) 14.204======================= Grid point 2477 (571/580) =======================q-point: ( 0.50 0.50 0.39)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.109 ( -0.000 16.437 4.728) 17.104 2.778 ( -0.000 26.730 14.309) 30.319 2.989 ( 0.000 5.952 -9.416) 11.139 4.123 ( -0.000 4.709 -0.078) 4.710 4.630 ( -0.000 24.593 -0.594) 24.600 7.427 ( 0.000 -10.914 -1.666) 11.040 9.156 ( 0.000 -6.742 -0.750) 6.784 9.771 ( -0.000 17.684 1.818) 17.778 10.061 ( -0.000 14.719 0.002) 14.719 10.792 ( -0.000 33.670 1.208) 33.692 14.493 ( -0.000 -6.249 4.372) 7.627 14.914 ( 0.000 -12.096 -7.166) 14.059======================= Grid point 2478 (572/580) =======================q-point: ( 0.56 0.50 0.39)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.387 ( 9.617 19.041 2.299) 21.455 2.842 ( -2.070 -4.311 4.546) 6.598 3.341 ( 10.995 37.625 -3.495) 39.354 4.210 ( 3.514 6.207 0.307) 7.140 4.951 ( 7.845 25.472 -0.130) 26.653 7.304 ( -2.622 -7.073 -0.436) 7.556 9.249 ( 16.906 -5.941 -1.008) 17.948 9.712 ( -18.832 18.697 1.254) 26.567 10.371 ( 10.216 13.404 -0.144) 16.854 11.223 ( 12.080 26.633 3.341) 29.435 14.444 ( 0.722 -7.532 6.997) 10.305 14.698 ( -7.901 -10.442 -10.146) 16.566======================= Grid point 2479 (573/580) =======================q-point: ( 0.61 0.50 0.39)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1467Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.761 ( 6.085 10.539 -0.000) 12.169 2.836 ( 6.584 11.404 -0.000) 13.168 3.913 ( 16.389 28.386 -0.000) 32.778 4.366 ( 5.713 9.896 -0.000) 11.427 5.375 ( 13.216 22.890 -0.000) 26.431 7.210 ( -2.005 -3.473 -0.000) 4.010 9.515 ( 4.001 6.931 -0.000) 8.003 9.645 ( 4.564 7.905 -0.000) 9.128 10.609 ( 5.147 8.915 -0.000) 10.295 11.651 ( 9.796 16.968 -0.000) 19.593 14.382 ( -7.850 -13.597 -0.000) 15.700 14.455 ( -0.221 -0.383 0.000) 0.442======================= Grid point 2497 (574/580) =======================q-point: ( 0.56 0.56 0.39)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.495 ( -0.000 19.983 1.422) 20.034 2.825 ( 0.000 -2.621 -1.783) 3.170 3.641 ( -0.000 39.579 -0.600) 39.583 4.243 ( -0.000 6.458 2.006) 6.762 5.155 ( 0.000 28.119 -0.970) 28.136 7.259 ( 0.000 -5.661 0.113) 5.662 9.049 ( 0.000 -3.674 -0.035) 3.675 10.142 ( -0.000 17.610 0.949) 17.636 10.358 ( 0.000 15.551 -0.785) 15.571 11.392 ( -0.000 22.449 10.168) 24.644 14.359 ( -0.000 -12.808 8.600) 15.428 14.639 ( 0.000 -5.637 -15.382) 16.383======================= Grid point 2793 (575/580) =======================q-point: ( 0.44 0.44 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 580Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.739 ( -0.000 0.000 6.456) 6.456 1.739 ( -0.000 0.000 6.456) 6.456 3.205 ( -0.000 0.000 12.227) 12.227 4.040 ( 0.000 -0.000 -2.816) 2.816 4.040 ( 0.000 -0.000 -2.816) 2.816 7.876 ( 0.000 -0.000 -6.808) 6.808 9.465 ( -0.000 0.000 0.132) 0.132 9.465 ( -0.000 0.000 0.132) 0.132 9.591 ( 0.000 0.000 -0.008) 0.008 9.591 ( 0.000 -0.000 -0.008) 0.008 14.603 ( -0.000 0.000 2.823) 2.823 15.246 ( 0.000 -0.000 -1.194) 1.194======================= Grid point 2794 (576/580) =======================q-point: ( 0.50 0.44 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.862 ( 8.545 4.934 3.089) 10.339 2.082 ( 25.902 14.955 5.365) 30.387 3.124 ( -8.352 -4.822 6.146) 11.437 4.065 ( 2.556 1.476 -2.753) 4.036 4.205 ( 14.103 8.143 -0.121) 16.286 7.678 ( -12.150 -7.015 -2.656) 14.279 9.306 ( -7.858 -4.537 0.370) 9.081 9.519 ( 8.924 5.152 -2.515) 10.607 9.785 ( 11.105 6.411 0.152) 12.824 10.064 ( 31.551 18.216 -0.600) 36.437 14.581 ( -2.434 -1.405 1.996) 3.447 15.136 ( -9.030 -5.213 -0.797) 10.457======================= Grid point 2795 (577/580) =======================q-point: ( 0.56 0.44 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.132 ( 14.246 8.225 0.208) 16.451 2.806 ( 28.657 16.545 12.442) 35.352 2.957 ( -1.061 -0.613 -6.612) 6.724 4.136 ( 4.350 2.511 -2.473) 5.599 4.623 ( 21.389 12.349 0.962) 24.716 7.420 ( -9.214 -5.320 -0.358) 10.645 9.151 ( -5.748 -3.319 0.245) 6.642 9.797 ( 14.997 8.658 -3.177) 17.606 10.058 ( 12.565 7.254 0.538) 14.519 10.816 ( 31.805 18.363 -3.600) 36.901 14.517 ( -3.409 -1.968 -0.072) 3.937 14.861 ( -14.116 -8.150 2.818) 16.541======================= Grid point 2813 (578/580) =======================q-point: ( 0.50 0.50 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.863 ( -0.000 9.394 2.973) 9.853 2.102 ( -0.000 30.404 1.347) 30.434 3.141 ( -0.000 -9.908 2.698) 10.269 4.051 ( -0.000 2.533 -0.021) 2.533 4.210 ( 0.000 16.643 -1.100) 16.680 7.673 ( 0.000 -13.543 -1.745) 13.655 9.311 ( 0.000 -9.078 -0.594) 9.097 9.497 ( -0.000 9.169 1.691) 9.324 9.785 ( -0.000 13.035 0.161) 13.036 10.066 ( -0.000 35.848 -1.075) 35.864 14.586 ( -0.000 -2.905 1.116) 3.112 15.138 ( 0.000 -9.796 -1.138) 9.862======================= Grid point 2814 (579/580) =======================q-point: ( 0.56 0.50 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 1467Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.060 ( 8.051 13.945 -0.000) 16.102 2.611 ( 19.318 33.461 -0.000) 38.637 2.992 ( -5.068 -8.778 -0.000) 10.136 4.107 ( 2.393 4.146 -0.000) 4.787 4.496 ( 11.381 19.713 -0.000) 22.763 7.478 ( -6.014 -10.417 -0.000) 12.029 9.362 ( 0.353 0.611 -0.000) 0.705 9.433 ( 1.606 2.781 -0.000) 3.211 10.082 ( 9.234 15.994 -0.000) 18.468 10.606 ( 19.312 33.450 -0.000) 38.625 14.539 ( -1.816 -3.145 -0.000) 3.631 14.950 ( -7.529 -13.040 -0.000) 15.057======================= Grid point 3155 (580/580) =======================q-point: (-0.50 -0.50 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.25e-05 Number of triplets: 290Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.773 ( -0.000 0.000 0.000) 0.000 1.773 ( -0.000 0.000 0.000) 0.000 3.267 ( -0.000 0.000 0.000) 0.000 4.025 ( -0.000 0.000 0.000) 0.000 4.025 ( -0.000 0.000 0.000) 0.000 7.841 ( -0.000 0.000 0.000) 0.000 9.465 ( -0.000 0.000 0.000) 0.000 9.465 ( -0.000 0.000 0.000) 0.000 9.591 ( -0.000 0.000 0.000) 0.000 9.591 ( -0.000 0.000 0.000) 0.000 14.618 ( -0.000 0.000 0.000) 0.000 15.239 ( -0.000 0.000 0.000) 0.000=================== 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 3/69984 10.0 3239.791 3239.791 4795.920 0.000 -0.000 -0.000 3/69984 20.0 1383.290 1383.290 1988.493 0.000 -0.000 -0.000 3/69984 30.0 635.796 635.796 674.694 0.000 -0.000 -0.000 3/69984 40.0 336.477 336.477 255.069 0.000 -0.000 -0.000 3/69984 50.0 213.372 213.372 124.053 0.000 -0.000 -0.000 3/69984 60.0 150.497 150.497 73.374 0.000 -0.000 -0.000 3/69984 70.0 112.753 112.753 49.435 0.000 -0.000 -0.000 3/69984 80.0 88.029 88.029 36.330 0.000 -0.000 -0.000 3/69984 90.0 70.982 70.982 28.351 0.000 -0.000 -0.000 3/69984 100.0 58.789 58.789 23.097 0.000 -0.000 -0.000 3/69984 110.0 49.798 49.798 19.429 0.000 -0.000 -0.000 3/69984 120.0 42.990 42.990 16.746 0.000 -0.000 -0.000 3/69984 130.0 37.711 37.711 14.712 0.000 -0.000 -0.000 3/69984 140.0 33.531 33.531 13.122 0.000 -0.000 -0.000 3/69984 150.0 30.158 30.158 11.848 0.000 -0.000 -0.000 3/69984 160.0 27.389 27.389 10.807 0.000 -0.000 -0.000 3/69984 170.0 25.083 25.083 9.940 0.000 -0.000 -0.000 3/69984 180.0 23.136 23.136 9.207 0.000 -0.000 -0.000 3/69984 190.0 21.473 21.473 8.579 0.000 -0.000 -0.000 3/69984 200.0 20.037 20.037 8.036 0.000 -0.000 -0.000 3/69984 210.0 18.786 18.786 7.561 0.000 -0.000 -0.000 3/69984 220.0 17.685 17.685 7.141 0.000 -0.000 -0.000 3/69984 230.0 16.711 16.711 6.768 0.000 -0.000 -0.000 3/69984 240.0 15.841 15.841 6.433 0.000 -0.000 -0.000 3/69984 250.0 15.061 15.061 6.132 0.000 -0.000 -0.000 3/69984 260.0 14.357 14.357 5.859 0.000 -0.000 -0.000 3/69984 270.0 13.718 13.718 5.611 0.000 -0.000 -0.000 3/69984 280.0 13.136 13.136 5.383 0.000 -0.000 -0.000 3/69984 290.0 12.603 12.603 5.174 0.000 -0.000 -0.000 3/69984 300.0 12.113 12.113 4.982 0.000 -0.000 -0.000 3/69984 310.0 11.662 11.662 4.803 0.000 -0.000 -0.000 3/69984 320.0 11.244 11.244 4.638 0.000 -0.000 -0.000 3/69984 330.0 10.856 10.856 4.484 0.000 -0.000 -0.000 3/69984 340.0 10.495 10.495 4.340 0.000 -0.000 -0.000 3/69984 350.0 10.158 10.158 4.206 0.000 -0.000 -0.000 3/69984 360.0 9.842 9.842 4.080 0.000 -0.000 -0.000 3/69984 370.0 9.547 9.547 3.961 0.000 -0.000 -0.000 3/69984 380.0 9.269 9.269 3.849 0.000 -0.000 -0.000 3/69984 390.0 9.007 9.007 3.744 0.000 -0.000 -0.000 3/69984 400.0 8.761 8.761 3.644 0.000 -0.000 -0.000 3/69984 410.0 8.527 8.527 3.550 0.000 -0.000 -0.000 3/69984 420.0 8.307 8.307 3.461 0.000 -0.000 -0.000 3/69984 430.0 8.097 8.097 3.376 0.000 -0.000 -0.000 3/69984 440.0 7.899 7.899 3.295 0.000 -0.000 -0.000 3/69984 450.0 7.710 7.710 3.218 0.000 -0.000 -0.000 3/69984 460.0 7.530 7.530 3.145 0.000 -0.000 -0.000 3/69984 470.0 7.359 7.359 3.075 0.000 -0.000 -0.000 3/69984 480.0 7.195 7.195 3.008 0.000 -0.000 -0.000 3/69984 490.0 7.039 7.039 2.944 0.000 -0.000 -0.000 3/69984 500.0 6.889 6.889 2.883 0.000 -0.000 -0.000 3/69984 510.0 6.746 6.746 2.824 0.000 -0.000 -0.000 3/69984 520.0 6.609 6.609 2.768 0.000 -0.000 -0.000 3/69984 530.0 6.477 6.477 2.714 0.000 -0.000 -0.000 3/69984 540.0 6.351 6.351 2.662 0.000 -0.000 -0.000 3/69984 550.0 6.230 6.230 2.612 0.000 -0.000 -0.000 3/69984 560.0 6.113 6.113 2.564 0.000 -0.000 -0.000 3/69984 570.0 6.001 6.001 2.517 0.000 -0.000 -0.000 3/69984 580.0 5.892 5.892 2.473 0.000 -0.000 -0.000 3/69984 590.0 5.788 5.788 2.429 0.000 -0.000 -0.000 3/69984 600.0 5.687 5.687 2.388 0.000 -0.000 -0.000 3/69984 610.0 5.590 5.590 2.348 0.000 -0.000 -0.000 3/69984 620.0 5.497 5.497 2.309 0.000 -0.000 -0.000 3/69984 630.0 5.406 5.406 2.271 0.000 -0.000 -0.000 3/69984 640.0 5.318 5.318 2.235 0.000 -0.000 -0.000 3/69984 650.0 5.233 5.233 2.200 0.000 -0.000 -0.000 3/69984 660.0 5.151 5.151 2.166 0.000 -0.000 -0.000 3/69984 670.0 5.072 5.072 2.133 0.000 -0.000 -0.000 3/69984 680.0 4.995 4.995 2.101 0.000 -0.000 -0.000 3/69984 690.0 4.920 4.920 2.069 0.000 -0.000 -0.000 3/69984 700.0 4.847 4.847 2.039 0.000 -0.000 -0.000 3/69984 710.0 4.777 4.777 2.010 0.000 -0.000 -0.000 3/69984 720.0 4.709 4.709 1.982 0.000 -0.000 -0.000 3/69984 730.0 4.642 4.642 1.954 0.000 -0.000 -0.000 3/69984 740.0 4.578 4.578 1.927 0.000 -0.000 -0.000 3/69984 750.0 4.515 4.515 1.901 0.000 -0.000 -0.000 3/69984 760.0 4.454 4.454 1.875 0.000 -0.000 -0.000 3/69984 770.0 4.395 4.395 1.851 0.000 -0.000 -0.000 3/69984 780.0 4.337 4.337 1.827 0.000 -0.000 -0.000 3/69984 790.0 4.281 4.281 1.803 0.000 -0.000 -0.000 3/69984 800.0 4.226 4.226 1.780 0.000 -0.000 -0.000 3/69984 810.0 4.173 4.173 1.758 0.000 -0.000 -0.000 3/69984 820.0 4.120 4.120 1.736 0.000 -0.000 -0.000 3/69984 830.0 4.070 4.070 1.715 0.000 -0.000 -0.000 3/69984 840.0 4.020 4.020 1.694 0.000 -0.000 -0.000 3/69984 850.0 3.972 3.972 1.674 0.000 -0.000 -0.000 3/69984 860.0 3.925 3.925 1.654 0.000 -0.000 -0.000 3/69984 870.0 3.879 3.879 1.635 0.000 -0.000 -0.000 3/69984 880.0 3.834 3.834 1.616 0.000 -0.000 -0.000 3/69984 890.0 3.790 3.790 1.598 0.000 -0.000 -0.000 3/69984 900.0 3.747 3.747 1.580 0.000 -0.000 -0.000 3/69984 910.0 3.705 3.705 1.562 0.000 -0.000 -0.000 3/69984 920.0 3.664 3.664 1.545 0.000 -0.000 -0.000 3/69984 930.0 3.624 3.624 1.528 0.000 -0.000 -0.000 3/69984 940.0 3.585 3.585 1.512 0.000 -0.000 -0.000 3/69984 950.0 3.546 3.546 1.496 0.000 -0.000 -0.000 3/69984 960.0 3.509 3.509 1.480 0.000 -0.000 -0.000 3/69984 970.0 3.472 3.472 1.465 0.000 -0.000 -0.000 3/69984 980.0 3.436 3.436 1.450 0.000 -0.000 -0.000 3/69984 990.0 3.401 3.401 1.435 0.000 -0.000 -0.000 3/69984 1000.0 3.366 3.366 1.420 0.000 -0.000 -0.000 3/69984Thermal conductivity related properties were written into "kappa-m181818.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-07 20:47:03]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|