# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/9b1f8004-35c8-4018-bc71-d33d8718d40d/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 NdO2 / C2/m (12) / materials id 31049](https://mdr.nims.go.jp/datasets/9aaa0feb-dd53-4087-b2e0-9cf6c68f4f10) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-08 08:57:04]-------------------------Compiled with OpenMP support (max 128 threads).Running in phonopy.load mode.Python version 3.14.2Spglib version 2.6.1Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".Unit of length: angstromSettings: Supercell: [2 3 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.]Spacegroup: C2/m (12)Number of symmetry operations in supercell: 96------------------------------ primitive cell ------------------------------Lattice vectors: a 3.332474595000143 -2.006187165000000 0.000000000000000 b 3.332474595000143 2.006187165000000 0.000000000000000 c -0.870040207609970 0.000000000000000 6.384783064142542Atomic positions (fractional): *1 O 0.15298170385151 0.15298170385151 0.35801951503384 15.999 2 O 0.84701829614849 0.84701829614849 0.64198048496616 15.999 *3 O 0.42202649671092 0.42202649671092 0.07276044596957 15.999 4 O 0.57797350328908 0.57797350328908 0.92723955403043 15.999 *5 Nd 0.19788125720053 0.19788125720053 0.73125470116916 144.242 6 Nd 0.80211874279947 0.80211874279947 0.26874529883084 144.242-------------------------------- unit cell ---------------------------------Lattice vectors: a 6.664949190000287 0.000000000000000 0.000000000000000 b 0.000000000000000 4.012374330000000 0.000000000000000 c -0.870040207609970 0.000000000000000 6.384783064142542Atomic positions (fractional): *1 O 0.15298170385151 0.00000000000000 0.35801951503384 15.999 > 1 2 O 0.84701829614849 0.00000000000000 0.64198048496616 15.999 > 2 *3 O 0.42202649671092 0.00000000000000 0.07276044596957 15.999 > 3 4 O 0.57797350328908 0.00000000000000 0.92723955403043 15.999 > 4 5 O 0.65298170385151 0.50000000000000 0.35801951503384 15.999 > 1 6 O 0.34701829614849 0.50000000000000 0.64198048496616 15.999 > 2 7 O 0.92202649671092 0.50000000000000 0.07276044596957 15.999 > 3 8 O 0.07797350328908 0.50000000000000 0.92723955403043 15.999 > 4 *9 Nd 0.19788125720053 0.00000000000000 0.73125470116916 144.242 > 5 10 Nd 0.80211874279947 0.00000000000000 0.26874529883084 144.242 > 6 11 Nd 0.69788125720053 0.50000000000000 0.73125470116916 144.242 > 5 12 Nd 0.30211874279947 0.50000000000000 0.26874529883084 144.242 > 6-------------------------------- super cell --------------------------------Lattice vectors: a 13.329898380000573 0.000000000000000 0.000000000000000 b 0.000000000000000 12.037122990000000 0.000000000000000 c -1.740080415219940 0.000000000000000 12.769566128285083Atomic positions (fractional): *1 O 0.07649085192575 0.00000000000000 0.17900975751692 15.999 > 1 2 O 0.57649085192575 0.00000000000000 0.17900975751692 15.999 > 1 3 O 0.07649085192575 0.33333333333333 0.17900975751692 15.999 > 1 4 O 0.57649085192575 0.33333333333333 0.17900975751692 15.999 > 1 5 O 0.07649085192575 0.66666666666667 0.17900975751692 15.999 > 1 6 O 0.57649085192575 0.66666666666667 0.17900975751692 15.999 > 1 7 O 0.07649085192575 0.00000000000000 0.67900975751692 15.999 > 1 8 O 0.57649085192575 0.00000000000000 0.67900975751692 15.999 > 1 9 O 0.07649085192575 0.33333333333333 0.67900975751692 15.999 > 1 10 O 0.57649085192575 0.33333333333333 0.67900975751692 15.999 > 1 11 O 0.07649085192575 0.66666666666667 0.67900975751692 15.999 > 1 12 O 0.57649085192575 0.66666666666667 0.67900975751692 15.999 > 1 13 O 0.42350914807425 0.00000000000000 0.32099024248308 15.999 > 2 14 O 0.92350914807425 0.00000000000000 0.32099024248308 15.999 > 2 15 O 0.42350914807425 0.33333333333333 0.32099024248308 15.999 > 2 16 O 0.92350914807425 0.33333333333333 0.32099024248308 15.999 > 2 17 O 0.42350914807425 0.66666666666667 0.32099024248308 15.999 > 2 18 O 0.92350914807425 0.66666666666667 0.32099024248308 15.999 > 2 19 O 0.42350914807425 0.00000000000000 0.82099024248308 15.999 > 2 20 O 0.92350914807425 0.00000000000000 0.82099024248308 15.999 > 2 21 O 0.42350914807425 0.33333333333333 0.82099024248308 15.999 > 2 22 O 0.92350914807425 0.33333333333333 0.82099024248308 15.999 > 2 23 O 0.42350914807425 0.66666666666667 0.82099024248308 15.999 > 2 24 O 0.92350914807425 0.66666666666667 0.82099024248308 15.999 > 2 *25 O 0.21101324835546 0.00000000000000 0.03638022298479 15.999 > 3 26 O 0.71101324835546 0.00000000000000 0.03638022298479 15.999 > 3 27 O 0.21101324835546 0.33333333333333 0.03638022298479 15.999 > 3 28 O 0.71101324835546 0.33333333333333 0.03638022298479 15.999 > 3 29 O 0.21101324835546 0.66666666666667 0.03638022298479 15.999 > 3 30 O 0.71101324835546 0.66666666666667 0.03638022298479 15.999 > 3 31 O 0.21101324835546 0.00000000000000 0.53638022298479 15.999 > 3 32 O 0.71101324835546 0.00000000000000 0.53638022298479 15.999 > 3 33 O 0.21101324835546 0.33333333333333 0.53638022298479 15.999 > 3 34 O 0.71101324835546 0.33333333333333 0.53638022298479 15.999 > 3 35 O 0.21101324835546 0.66666666666667 0.53638022298479 15.999 > 3 36 O 0.71101324835546 0.66666666666667 0.53638022298479 15.999 > 3 37 O 0.28898675164454 0.00000000000000 0.46361977701522 15.999 > 4 38 O 0.78898675164454 0.00000000000000 0.46361977701522 15.999 > 4 39 O 0.28898675164454 0.33333333333333 0.46361977701522 15.999 > 4 40 O 0.78898675164454 0.33333333333333 0.46361977701522 15.999 > 4 41 O 0.28898675164454 0.66666666666667 0.46361977701522 15.999 > 4 42 O 0.78898675164454 0.66666666666667 0.46361977701522 15.999 > 4 43 O 0.28898675164454 0.00000000000000 0.96361977701522 15.999 > 4 44 O 0.78898675164454 0.00000000000000 0.96361977701522 15.999 > 4 45 O 0.28898675164454 0.33333333333333 0.96361977701522 15.999 > 4 46 O 0.78898675164454 0.33333333333333 0.96361977701522 15.999 > 4 47 O 0.28898675164454 0.66666666666667 0.96361977701522 15.999 > 4 48 O 0.78898675164454 0.66666666666667 0.96361977701522 15.999 > 4 49 O 0.32649085192575 0.16666666666667 0.17900975751692 15.999 > 1 50 O 0.82649085192575 0.16666666666667 0.17900975751692 15.999 > 1 51 O 0.32649085192575 0.50000000000000 0.17900975751692 15.999 > 1 52 O 0.82649085192575 0.50000000000000 0.17900975751692 15.999 > 1 53 O 0.32649085192575 0.83333333333333 0.17900975751692 15.999 > 1 54 O 0.82649085192575 0.83333333333333 0.17900975751692 15.999 > 1 55 O 0.32649085192575 0.16666666666667 0.67900975751692 15.999 > 1 56 O 0.82649085192575 0.16666666666667 0.67900975751692 15.999 > 1 57 O 0.32649085192575 0.50000000000000 0.67900975751692 15.999 > 1 58 O 0.82649085192575 0.50000000000000 0.67900975751692 15.999 > 1 59 O 0.32649085192575 0.83333333333333 0.67900975751692 15.999 > 1 60 O 0.82649085192575 0.83333333333333 0.67900975751692 15.999 > 1 61 O 0.17350914807425 0.16666666666667 0.32099024248308 15.999 > 2 62 O 0.67350914807425 0.16666666666667 0.32099024248308 15.999 > 2 63 O 0.17350914807425 0.50000000000000 0.32099024248308 15.999 > 2 64 O 0.67350914807425 0.50000000000000 0.32099024248308 15.999 > 2 65 O 0.17350914807425 0.83333333333333 0.32099024248308 15.999 > 2 66 O 0.67350914807425 0.83333333333333 0.32099024248308 15.999 > 2 67 O 0.17350914807425 0.16666666666667 0.82099024248308 15.999 > 2 68 O 0.67350914807425 0.16666666666667 0.82099024248308 15.999 > 2 69 O 0.17350914807425 0.50000000000000 0.82099024248308 15.999 > 2 70 O 0.67350914807425 0.50000000000000 0.82099024248308 15.999 > 2 71 O 0.17350914807425 0.83333333333333 0.82099024248308 15.999 > 2 72 O 0.67350914807425 0.83333333333333 0.82099024248308 15.999 > 2 73 O 0.46101324835546 0.16666666666667 0.03638022298479 15.999 > 3 74 O 0.96101324835546 0.16666666666667 0.03638022298479 15.999 > 3 75 O 0.46101324835546 0.50000000000000 0.03638022298479 15.999 > 3 76 O 0.96101324835546 0.50000000000000 0.03638022298479 15.999 > 3 77 O 0.46101324835546 0.83333333333333 0.03638022298479 15.999 > 3 78 O 0.96101324835546 0.83333333333333 0.03638022298479 15.999 > 3 79 O 0.46101324835546 0.16666666666667 0.53638022298479 15.999 > 3 80 O 0.96101324835546 0.16666666666667 0.53638022298479 15.999 > 3 81 O 0.46101324835546 0.50000000000000 0.53638022298479 15.999 > 3 82 O 0.96101324835546 0.50000000000000 0.53638022298479 15.999 > 3 83 O 0.46101324835546 0.83333333333333 0.53638022298479 15.999 > 3 84 O 0.96101324835546 0.83333333333333 0.53638022298479 15.999 > 3 85 O 0.03898675164454 0.16666666666667 0.46361977701522 15.999 > 4 86 O 0.53898675164454 0.16666666666667 0.46361977701522 15.999 > 4 87 O 0.03898675164454 0.50000000000000 0.46361977701522 15.999 > 4 88 O 0.53898675164454 0.50000000000000 0.46361977701522 15.999 > 4 89 O 0.03898675164454 0.83333333333333 0.46361977701522 15.999 > 4 90 O 0.53898675164454 0.83333333333333 0.46361977701522 15.999 > 4 91 O 0.03898675164454 0.16666666666667 0.96361977701522 15.999 > 4 92 O 0.53898675164454 0.16666666666667 0.96361977701522 15.999 > 4 93 O 0.03898675164454 0.50000000000000 0.96361977701522 15.999 > 4 94 O 0.53898675164454 0.50000000000000 0.96361977701522 15.999 > 4 95 O 0.03898675164454 0.83333333333333 0.96361977701522 15.999 > 4 96 O 0.53898675164454 0.83333333333333 0.96361977701522 15.999 > 4 *97 Nd 0.09894062860027 0.00000000000000 0.36562735058458 144.242 > 5 98 Nd 0.59894062860027 0.00000000000000 0.36562735058458 144.242 > 5 99 Nd 0.09894062860027 0.33333333333333 0.36562735058458 144.242 > 5 100 Nd 0.59894062860027 0.33333333333333 0.36562735058458 144.242 > 5 101 Nd 0.09894062860027 0.66666666666667 0.36562735058458 144.242 > 5 102 Nd 0.59894062860027 0.66666666666667 0.36562735058458 144.242 > 5 103 Nd 0.09894062860027 0.00000000000000 0.86562735058458 144.242 > 5 104 Nd 0.59894062860027 0.00000000000000 0.86562735058458 144.242 > 5 105 Nd 0.09894062860027 0.33333333333333 0.86562735058458 144.242 > 5 106 Nd 0.59894062860027 0.33333333333333 0.86562735058458 144.242 > 5 107 Nd 0.09894062860027 0.66666666666667 0.86562735058458 144.242 > 5 108 Nd 0.59894062860027 0.66666666666667 0.86562735058458 144.242 > 5 109 Nd 0.40105937139973 0.00000000000000 0.13437264941542 144.242 > 6 110 Nd 0.90105937139973 0.00000000000000 0.13437264941542 144.242 > 6 111 Nd 0.40105937139973 0.33333333333333 0.13437264941542 144.242 > 6 112 Nd 0.90105937139973 0.33333333333333 0.13437264941542 144.242 > 6 113 Nd 0.40105937139973 0.66666666666667 0.13437264941542 144.242 > 6 114 Nd 0.90105937139973 0.66666666666667 0.13437264941542 144.242 > 6 115 Nd 0.40105937139973 0.00000000000000 0.63437264941542 144.242 > 6 116 Nd 0.90105937139973 0.00000000000000 0.63437264941542 144.242 > 6 117 Nd 0.40105937139973 0.33333333333333 0.63437264941542 144.242 > 6 118 Nd 0.90105937139973 0.33333333333333 0.63437264941542 144.242 > 6 119 Nd 0.40105937139973 0.66666666666667 0.63437264941542 144.242 > 6 120 Nd 0.90105937139973 0.66666666666667 0.63437264941542 144.242 > 6 121 Nd 0.34894062860027 0.16666666666667 0.36562735058458 144.242 > 5 122 Nd 0.84894062860027 0.16666666666667 0.36562735058458 144.242 > 5 123 Nd 0.34894062860027 0.50000000000000 0.36562735058458 144.242 > 5 124 Nd 0.84894062860027 0.50000000000000 0.36562735058458 144.242 > 5 125 Nd 0.34894062860027 0.83333333333333 0.36562735058458 144.242 > 5 126 Nd 0.84894062860027 0.83333333333333 0.36562735058458 144.242 > 5 127 Nd 0.34894062860027 0.16666666666667 0.86562735058458 144.242 > 5 128 Nd 0.84894062860027 0.16666666666667 0.86562735058458 144.242 > 5 129 Nd 0.34894062860027 0.50000000000000 0.86562735058458 144.242 > 5 130 Nd 0.84894062860027 0.50000000000000 0.86562735058458 144.242 > 5 131 Nd 0.34894062860027 0.83333333333333 0.86562735058458 144.242 > 5 132 Nd 0.84894062860027 0.83333333333333 0.86562735058458 144.242 > 5 133 Nd 0.15105937139973 0.16666666666667 0.13437264941542 144.242 > 6 134 Nd 0.65105937139973 0.16666666666667 0.13437264941542 144.242 > 6 135 Nd 0.15105937139973 0.50000000000000 0.13437264941542 144.242 > 6 136 Nd 0.65105937139973 0.50000000000000 0.13437264941542 144.242 > 6 137 Nd 0.15105937139973 0.83333333333333 0.13437264941542 144.242 > 6 138 Nd 0.65105937139973 0.83333333333333 0.13437264941542 144.242 > 6 139 Nd 0.15105937139973 0.16666666666667 0.63437264941542 144.242 > 6 140 Nd 0.65105937139973 0.16666666666667 0.63437264941542 144.242 > 6 141 Nd 0.15105937139973 0.50000000000000 0.63437264941542 144.242 > 6 142 Nd 0.65105937139973 0.50000000000000 0.63437264941542 144.242 > 6 143 Nd 0.15105937139973 0.83333333333333 0.63437264941542 144.242 > 6 144 Nd 0.65105937139973 0.83333333333333 0.63437264941542 144.242 > 6----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 4.5701389 0.0000000 -0.2047926 0.0000000 4.3277508 0.0000000 -0.2047922 0.0000000 4.4465805-------------------------- Born effective charges -------------------------- 1 O -2.6227305 0.0000000 0.0856739 0.0000000 -2.6744392 0.0000000 0.0384700 0.0000000 -2.3530437 2 O -2.6227305 0.0000000 0.0856739 0.0000000 -2.6744392 0.0000000 0.0384700 0.0000000 -2.3530437 3 O -1.3212360 0.0000000 -0.2647298 0.0000000 -1.3526249 0.0000000 -0.2807790 0.0000000 -1.5402414 4 O -1.3212360 0.0000000 -0.2647298 0.0000000 -1.3526249 0.0000000 -0.2807790 0.0000000 -1.5402414 5 Nd 3.9439665 0.0000000 0.1790558 0.0000000 4.0270641 0.0000000 0.2423090 0.0000000 3.8932852 6 Nd 3.9439665 0.0000000 0.1790558 0.0000000 4.0270641 0.0000000 0.2423090 0.0000000 3.8932852----------------------------------------------------------------------------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: 432/432Permutation basis: 5256/5256Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 1116Number of blocks in projector: 1116Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 288Use standard eigh solver.--- Eigsh_solver_block: 2 / 6 ---Block_size: 180Use standard eigh solver.--- Eigsh_solver_block: 3 / 6 ---Block_size: 180Use standard eigh solver.--- Eigsh_solver_block: 4 / 6 ---Block_size: 180Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 144Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 144Use standard eigh solver.Tree of FC basis block matrices:- (1116, 1102), data: False|-- (144, 144), data: True|-- (144, 144), data: True|-- (180, 177), data: True|-- (180, 177), data: True|-- (180, 177), data: True|-- (288, 283), data: True-----Solver_atoms: 1 -- 144 / 144Time (Solver_compr_matrix_reshape): 0.004Solver_block: 100 / 240 - Time: 1.634Solver_block: 200 / 240 - Time: 1.674Solver_block: 240 / 240 - Time: 0.730Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.063--------------------------------- Symfc end --------------------------------Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 432/432Permutation basis: 5256/5256Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 1116Number of blocks in projector: 1116Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 288Use standard eigh solver.--- Eigsh_solver_block: 2 / 6 ---Block_size: 180Use standard eigh solver.--- Eigsh_solver_block: 3 / 6 ---Block_size: 180Use standard eigh solver.--- Eigsh_solver_block: 4 / 6 ---Block_size: 180Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 144Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 144Use standard eigh solver.Tree of FC basis block matrices:- (1116, 1102), data: False|-- (144, 144), data: True|-- (144, 144), data: True|-- (180, 177), data: True|-- (180, 177), data: True|-- (180, 177), data: True|-- (288, 283), 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 2026-01-08 08:57:21]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 08:57:21]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: force constantsHDF5 data compression filter: gzipCrystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".Supercell (dim): [2 3 2]Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.]Spacegroup: C2/m (12)------------------------------ primitive cell ------------------------------Lattice vectors: a 3.332474595000143 -2.006187165000000 0.000000000000000 b 3.332474595000143 2.006187165000000 0.000000000000000 c -0.870040207609970 0.000000000000000 6.384783064142542Atomic positions (fractional): 1 O 0.15298170385151 0.15298170385151 0.35801951503384 15.999 2 O 0.84701829614849 0.84701829614849 0.64198048496616 15.999 3 O 0.42202649671092 0.42202649671092 0.07276044596957 15.999 4 O 0.57797350328908 0.57797350328908 0.92723955403043 15.999 5 Nd 0.19788125720053 0.19788125720053 0.73125470116916 144.242 6 Nd 0.80211874279947 0.80211874279947 0.26874529883084 144.242-------------------------------- supercell ---------------------------------Lattice vectors: a 13.329898380000573 0.000000000000000 0.000000000000000 b 0.000000000000000 12.037122990000000 0.000000000000000 c -1.740080415219940 0.000000000000000 12.769566128285083Atomic positions (fractional): 1 O 0.07649085192575 0.00000000000000 0.17900975751692 15.999 > 1 2 O 0.57649085192575 0.00000000000000 0.17900975751692 15.999 > 1 3 O 0.07649085192575 0.33333333333333 0.17900975751692 15.999 > 1 4 O 0.57649085192575 0.33333333333333 0.17900975751692 15.999 > 1 5 O 0.07649085192575 0.66666666666667 0.17900975751692 15.999 > 1 6 O 0.57649085192575 0.66666666666667 0.17900975751692 15.999 > 1 7 O 0.07649085192575 0.00000000000000 0.67900975751692 15.999 > 1 8 O 0.57649085192575 0.00000000000000 0.67900975751692 15.999 > 1 9 O 0.07649085192575 0.33333333333333 0.67900975751692 15.999 > 1 10 O 0.57649085192575 0.33333333333333 0.67900975751692 15.999 > 1 11 O 0.07649085192575 0.66666666666667 0.67900975751692 15.999 > 1 12 O 0.57649085192575 0.66666666666667 0.67900975751692 15.999 > 1 13 O 0.42350914807425 0.00000000000000 0.32099024248308 15.999 > 13 14 O 0.92350914807425 0.00000000000000 0.32099024248308 15.999 > 13 15 O 0.42350914807425 0.33333333333333 0.32099024248308 15.999 > 13 16 O 0.92350914807425 0.33333333333333 0.32099024248308 15.999 > 13 17 O 0.42350914807425 0.66666666666667 0.32099024248308 15.999 > 13 18 O 0.92350914807425 0.66666666666667 0.32099024248308 15.999 > 13 19 O 0.42350914807425 0.00000000000000 0.82099024248308 15.999 > 13 20 O 0.92350914807425 0.00000000000000 0.82099024248308 15.999 > 13 21 O 0.42350914807425 0.33333333333333 0.82099024248308 15.999 > 13 22 O 0.92350914807425 0.33333333333333 0.82099024248308 15.999 > 13 23 O 0.42350914807425 0.66666666666667 0.82099024248308 15.999 > 13 24 O 0.92350914807425 0.66666666666667 0.82099024248308 15.999 > 13 25 O 0.21101324835546 0.00000000000000 0.03638022298479 15.999 > 25 26 O 0.71101324835546 0.00000000000000 0.03638022298479 15.999 > 25 27 O 0.21101324835546 0.33333333333333 0.03638022298479 15.999 > 25 28 O 0.71101324835546 0.33333333333333 0.03638022298479 15.999 > 25 29 O 0.21101324835546 0.66666666666667 0.03638022298479 15.999 > 25 30 O 0.71101324835546 0.66666666666667 0.03638022298479 15.999 > 25 31 O 0.21101324835546 0.00000000000000 0.53638022298479 15.999 > 25 32 O 0.71101324835546 0.00000000000000 0.53638022298479 15.999 > 25 33 O 0.21101324835546 0.33333333333333 0.53638022298479 15.999 > 25 34 O 0.71101324835546 0.33333333333333 0.53638022298479 15.999 > 25 35 O 0.21101324835546 0.66666666666667 0.53638022298479 15.999 > 25 36 O 0.71101324835546 0.66666666666667 0.53638022298479 15.999 > 25 37 O 0.28898675164454 0.00000000000000 0.46361977701522 15.999 > 37 38 O 0.78898675164454 0.00000000000000 0.46361977701522 15.999 > 37 39 O 0.28898675164454 0.33333333333333 0.46361977701522 15.999 > 37 40 O 0.78898675164454 0.33333333333333 0.46361977701522 15.999 > 37 41 O 0.28898675164454 0.66666666666667 0.46361977701522 15.999 > 37 42 O 0.78898675164454 0.66666666666667 0.46361977701522 15.999 > 37 43 O 0.28898675164454 0.00000000000000 0.96361977701522 15.999 > 37 44 O 0.78898675164454 0.00000000000000 0.96361977701522 15.999 > 37 45 O 0.28898675164454 0.33333333333333 0.96361977701522 15.999 > 37 46 O 0.78898675164454 0.33333333333333 0.96361977701522 15.999 > 37 47 O 0.28898675164454 0.66666666666667 0.96361977701522 15.999 > 37 48 O 0.78898675164454 0.66666666666667 0.96361977701522 15.999 > 37 49 O 0.32649085192575 0.16666666666667 0.17900975751692 15.999 > 1 50 O 0.82649085192575 0.16666666666667 0.17900975751692 15.999 > 1 51 O 0.32649085192575 0.50000000000000 0.17900975751692 15.999 > 1 52 O 0.82649085192575 0.50000000000000 0.17900975751692 15.999 > 1 53 O 0.32649085192575 0.83333333333333 0.17900975751692 15.999 > 1 54 O 0.82649085192575 0.83333333333333 0.17900975751692 15.999 > 1 55 O 0.32649085192575 0.16666666666667 0.67900975751692 15.999 > 1 56 O 0.82649085192575 0.16666666666667 0.67900975751692 15.999 > 1 57 O 0.32649085192575 0.50000000000000 0.67900975751692 15.999 > 1 58 O 0.82649085192575 0.50000000000000 0.67900975751692 15.999 > 1 59 O 0.32649085192575 0.83333333333333 0.67900975751692 15.999 > 1 60 O 0.82649085192575 0.83333333333333 0.67900975751692 15.999 > 1 61 O 0.17350914807425 0.16666666666667 0.32099024248308 15.999 > 13 62 O 0.67350914807425 0.16666666666667 0.32099024248308 15.999 > 13 63 O 0.17350914807425 0.50000000000000 0.32099024248308 15.999 > 13 64 O 0.67350914807425 0.50000000000000 0.32099024248308 15.999 > 13 65 O 0.17350914807425 0.83333333333333 0.32099024248308 15.999 > 13 66 O 0.67350914807425 0.83333333333333 0.32099024248308 15.999 > 13 67 O 0.17350914807425 0.16666666666667 0.82099024248308 15.999 > 13 68 O 0.67350914807425 0.16666666666667 0.82099024248308 15.999 > 13 69 O 0.17350914807425 0.50000000000000 0.82099024248308 15.999 > 13 70 O 0.67350914807425 0.50000000000000 0.82099024248308 15.999 > 13 71 O 0.17350914807425 0.83333333333333 0.82099024248308 15.999 > 13 72 O 0.67350914807425 0.83333333333333 0.82099024248308 15.999 > 13 73 O 0.46101324835546 0.16666666666667 0.03638022298479 15.999 > 25 74 O 0.96101324835546 0.16666666666667 0.03638022298479 15.999 > 25 75 O 0.46101324835546 0.50000000000000 0.03638022298479 15.999 > 25 76 O 0.96101324835546 0.50000000000000 0.03638022298479 15.999 > 25 77 O 0.46101324835546 0.83333333333333 0.03638022298479 15.999 > 25 78 O 0.96101324835546 0.83333333333333 0.03638022298479 15.999 > 25 79 O 0.46101324835546 0.16666666666667 0.53638022298479 15.999 > 25 80 O 0.96101324835546 0.16666666666667 0.53638022298479 15.999 > 25 81 O 0.46101324835546 0.50000000000000 0.53638022298479 15.999 > 25 82 O 0.96101324835546 0.50000000000000 0.53638022298479 15.999 > 25 83 O 0.46101324835546 0.83333333333333 0.53638022298479 15.999 > 25 84 O 0.96101324835546 0.83333333333333 0.53638022298479 15.999 > 25 85 O 0.03898675164454 0.16666666666667 0.46361977701522 15.999 > 37 86 O 0.53898675164454 0.16666666666667 0.46361977701522 15.999 > 37 87 O 0.03898675164454 0.50000000000000 0.46361977701522 15.999 > 37 88 O 0.53898675164454 0.50000000000000 0.46361977701522 15.999 > 37 89 O 0.03898675164454 0.83333333333333 0.46361977701522 15.999 > 37 90 O 0.53898675164454 0.83333333333333 0.46361977701522 15.999 > 37 91 O 0.03898675164454 0.16666666666667 0.96361977701522 15.999 > 37 92 O 0.53898675164454 0.16666666666667 0.96361977701522 15.999 > 37 93 O 0.03898675164454 0.50000000000000 0.96361977701522 15.999 > 37 94 O 0.53898675164454 0.50000000000000 0.96361977701522 15.999 > 37 95 O 0.03898675164454 0.83333333333333 0.96361977701522 15.999 > 37 96 O 0.53898675164454 0.83333333333333 0.96361977701522 15.999 > 37 97 Nd 0.09894062860027 0.00000000000000 0.36562735058458 144.242 > 97 98 Nd 0.59894062860027 0.00000000000000 0.36562735058458 144.242 > 97 99 Nd 0.09894062860027 0.33333333333333 0.36562735058458 144.242 > 97 100 Nd 0.59894062860027 0.33333333333333 0.36562735058458 144.242 > 97 101 Nd 0.09894062860027 0.66666666666667 0.36562735058458 144.242 > 97 102 Nd 0.59894062860027 0.66666666666667 0.36562735058458 144.242 > 97 103 Nd 0.09894062860027 0.00000000000000 0.86562735058458 144.242 > 97 104 Nd 0.59894062860027 0.00000000000000 0.86562735058458 144.242 > 97 105 Nd 0.09894062860027 0.33333333333333 0.86562735058458 144.242 > 97 106 Nd 0.59894062860027 0.33333333333333 0.86562735058458 144.242 > 97 107 Nd 0.09894062860027 0.66666666666667 0.86562735058458 144.242 > 97 108 Nd 0.59894062860027 0.66666666666667 0.86562735058458 144.242 > 97 109 Nd 0.40105937139973 0.00000000000000 0.13437264941542 144.242 > 109 110 Nd 0.90105937139973 0.00000000000000 0.13437264941542 144.242 > 109 111 Nd 0.40105937139973 0.33333333333333 0.13437264941542 144.242 > 109 112 Nd 0.90105937139973 0.33333333333333 0.13437264941542 144.242 > 109 113 Nd 0.40105937139973 0.66666666666667 0.13437264941542 144.242 > 109 114 Nd 0.90105937139973 0.66666666666667 0.13437264941542 144.242 > 109 115 Nd 0.40105937139973 0.00000000000000 0.63437264941542 144.242 > 109 116 Nd 0.90105937139973 0.00000000000000 0.63437264941542 144.242 > 109 117 Nd 0.40105937139973 0.33333333333333 0.63437264941542 144.242 > 109 118 Nd 0.90105937139973 0.33333333333333 0.63437264941542 144.242 > 109 119 Nd 0.40105937139973 0.66666666666667 0.63437264941542 144.242 > 109 120 Nd 0.90105937139973 0.66666666666667 0.63437264941542 144.242 > 109 121 Nd 0.34894062860027 0.16666666666667 0.36562735058458 144.242 > 97 122 Nd 0.84894062860027 0.16666666666667 0.36562735058458 144.242 > 97 123 Nd 0.34894062860027 0.50000000000000 0.36562735058458 144.242 > 97 124 Nd 0.84894062860027 0.50000000000000 0.36562735058458 144.242 > 97 125 Nd 0.34894062860027 0.83333333333333 0.36562735058458 144.242 > 97 126 Nd 0.84894062860027 0.83333333333333 0.36562735058458 144.242 > 97 127 Nd 0.34894062860027 0.16666666666667 0.86562735058458 144.242 > 97 128 Nd 0.84894062860027 0.16666666666667 0.86562735058458 144.242 > 97 129 Nd 0.34894062860027 0.50000000000000 0.86562735058458 144.242 > 97 130 Nd 0.84894062860027 0.50000000000000 0.86562735058458 144.242 > 97 131 Nd 0.34894062860027 0.83333333333333 0.86562735058458 144.242 > 97 132 Nd 0.84894062860027 0.83333333333333 0.86562735058458 144.242 > 97 133 Nd 0.15105937139973 0.16666666666667 0.13437264941542 144.242 > 109 134 Nd 0.65105937139973 0.16666666666667 0.13437264941542 144.242 > 109 135 Nd 0.15105937139973 0.50000000000000 0.13437264941542 144.242 > 109 136 Nd 0.65105937139973 0.50000000000000 0.13437264941542 144.242 > 109 137 Nd 0.15105937139973 0.83333333333333 0.13437264941542 144.242 > 109 138 Nd 0.65105937139973 0.83333333333333 0.13437264941542 144.242 > 109 139 Nd 0.15105937139973 0.16666666666667 0.63437264941542 144.242 > 109 140 Nd 0.65105937139973 0.16666666666667 0.63437264941542 144.242 > 109 141 Nd 0.15105937139973 0.50000000000000 0.63437264941542 144.242 > 109 142 Nd 0.65105937139973 0.50000000000000 0.63437264941542 144.242 > 109 143 Nd 0.15105937139973 0.83333333333333 0.63437264941542 144.242 > 109 144 Nd 0.65105937139973 0.83333333333333 0.63437264941542 144.242 > 109----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 4.5701389 0.0000000 -0.2047926 0.0000000 4.3277508 0.0000000 -0.2047922 0.0000000 4.4465805-------------------------- Born effective charges -------------------------- 1 O -2.6227305 0.0000000 0.0856739 0.0000000 -2.6744392 0.0000000 0.0384700 0.0000000 -2.3530437 2 O -2.6227305 0.0000000 0.0856739 0.0000000 -2.6744392 0.0000000 0.0384700 0.0000000 -2.3530437 3 O -1.3212360 0.0000000 -0.2647298 0.0000000 -1.3526249 0.0000000 -0.2807790 0.0000000 -1.5402414 4 O -1.3212360 0.0000000 -0.2647298 0.0000000 -1.3526249 0.0000000 -0.2807790 0.0000000 -1.5402414 5 Nd 3.9439665 0.0000000 0.1790558 0.0000000 4.0270641 0.0000000 0.2423090 0.0000000 3.8932852 6 Nd 3.9439665 0.0000000 0.1790558 0.0000000 4.0270641 0.0000000 0.2423090 0.0000000 3.8932852----------------------------------------------------------------------------Sets of supercell forces were read from "FORCES_FC3.xz".Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".----------------------------- Force constants ------------------------------Computing fc3[ 1, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0014 0.0000 0.0099] [ 0.0014 0.0000 -0.0099]Computing fc3[ 25, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0014 0.0000 0.0099] [ 0.0014 0.0000 -0.0099]Computing fc3[ 97, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0014 0.0000 0.0099] [ 0.0014 0.0000 -0.0099]Expanding fc3.Symmetrizing fc3 by traditional approach (N=3).Symmetrizing fc2 by traditional approach (N=3).Max drift of fc3: -0.00000008 (xxx) -0.00000008 (xxx) -0.00000008 (xxx)fc3 was written into "fc3.hdf5".Max drift of fc2: -0.00000000 (xz) -0.00000000 (xz) fc2 was written into "fc2.hdf5".--------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperatures: 0.0 300.0 Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330----------- None of ph-ph interaction calculation was performed. -----------Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 08:57:36]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 08:57:36]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: conductivity-RTAHDF5 data compression filter: gzipCrystal structure was read from "phono3py.yaml".Supercell (dim): [2 3 2]Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.]Spacegroup: C2/m (12)------------------------------ primitive cell ------------------------------Lattice vectors: a 3.332474595000143 -2.006187165000000 0.000000000000000 b 3.332474595000143 2.006187165000000 0.000000000000000 c -0.870040207609970 0.000000000000000 6.384783064142542Atomic positions (fractional): 1 O 0.15298170385151 0.15298170385151 0.35801951503384 15.999 2 O 0.84701829614849 0.84701829614849 0.64198048496616 15.999 3 O 0.42202649671092 0.42202649671092 0.07276044596957 15.999 4 O 0.57797350328908 0.57797350328908 0.92723955403043 15.999 5 Nd 0.19788125720053 0.19788125720053 0.73125470116916 144.242 6 Nd 0.80211874279947 0.80211874279947 0.26874529883084 144.242-------------------------------- supercell ---------------------------------Lattice vectors: a 13.329898380000573 0.000000000000000 0.000000000000000 b 0.000000000000000 12.037122990000000 0.000000000000000 c -1.740080415219940 0.000000000000000 12.769566128285083Atomic positions (fractional): 1 O 0.07649085192575 0.00000000000000 0.17900975751692 15.999 > 1 2 O 0.57649085192575 0.00000000000000 0.17900975751692 15.999 > 1 3 O 0.07649085192575 0.33333333333333 0.17900975751692 15.999 > 1 4 O 0.57649085192575 0.33333333333333 0.17900975751692 15.999 > 1 5 O 0.07649085192575 0.66666666666667 0.17900975751692 15.999 > 1 6 O 0.57649085192575 0.66666666666667 0.17900975751692 15.999 > 1 7 O 0.07649085192575 0.00000000000000 0.67900975751692 15.999 > 1 8 O 0.57649085192575 0.00000000000000 0.67900975751692 15.999 > 1 9 O 0.07649085192575 0.33333333333333 0.67900975751692 15.999 > 1 10 O 0.57649085192575 0.33333333333333 0.67900975751692 15.999 > 1 11 O 0.07649085192575 0.66666666666667 0.67900975751692 15.999 > 1 12 O 0.57649085192575 0.66666666666667 0.67900975751692 15.999 > 1 13 O 0.42350914807425 0.00000000000000 0.32099024248308 15.999 > 13 14 O 0.92350914807425 0.00000000000000 0.32099024248308 15.999 > 13 15 O 0.42350914807425 0.33333333333333 0.32099024248308 15.999 > 13 16 O 0.92350914807425 0.33333333333333 0.32099024248308 15.999 > 13 17 O 0.42350914807425 0.66666666666667 0.32099024248308 15.999 > 13 18 O 0.92350914807425 0.66666666666667 0.32099024248308 15.999 > 13 19 O 0.42350914807425 0.00000000000000 0.82099024248308 15.999 > 13 20 O 0.92350914807425 0.00000000000000 0.82099024248308 15.999 > 13 21 O 0.42350914807425 0.33333333333333 0.82099024248308 15.999 > 13 22 O 0.92350914807425 0.33333333333333 0.82099024248308 15.999 > 13 23 O 0.42350914807425 0.66666666666667 0.82099024248308 15.999 > 13 24 O 0.92350914807425 0.66666666666667 0.82099024248308 15.999 > 13 25 O 0.21101324835546 0.00000000000000 0.03638022298479 15.999 > 25 26 O 0.71101324835546 0.00000000000000 0.03638022298479 15.999 > 25 27 O 0.21101324835546 0.33333333333333 0.03638022298479 15.999 > 25 28 O 0.71101324835546 0.33333333333333 0.03638022298479 15.999 > 25 29 O 0.21101324835546 0.66666666666667 0.03638022298479 15.999 > 25 30 O 0.71101324835546 0.66666666666667 0.03638022298479 15.999 > 25 31 O 0.21101324835546 0.00000000000000 0.53638022298479 15.999 > 25 32 O 0.71101324835546 0.00000000000000 0.53638022298479 15.999 > 25 33 O 0.21101324835546 0.33333333333333 0.53638022298479 15.999 > 25 34 O 0.71101324835546 0.33333333333333 0.53638022298479 15.999 > 25 35 O 0.21101324835546 0.66666666666667 0.53638022298479 15.999 > 25 36 O 0.71101324835546 0.66666666666667 0.53638022298479 15.999 > 25 37 O 0.28898675164454 0.00000000000000 0.46361977701522 15.999 > 37 38 O 0.78898675164454 0.00000000000000 0.46361977701522 15.999 > 37 39 O 0.28898675164454 0.33333333333333 0.46361977701522 15.999 > 37 40 O 0.78898675164454 0.33333333333333 0.46361977701522 15.999 > 37 41 O 0.28898675164454 0.66666666666667 0.46361977701522 15.999 > 37 42 O 0.78898675164454 0.66666666666667 0.46361977701522 15.999 > 37 43 O 0.28898675164454 0.00000000000000 0.96361977701522 15.999 > 37 44 O 0.78898675164454 0.00000000000000 0.96361977701522 15.999 > 37 45 O 0.28898675164454 0.33333333333333 0.96361977701522 15.999 > 37 46 O 0.78898675164454 0.33333333333333 0.96361977701522 15.999 > 37 47 O 0.28898675164454 0.66666666666667 0.96361977701522 15.999 > 37 48 O 0.78898675164454 0.66666666666667 0.96361977701522 15.999 > 37 49 O 0.32649085192575 0.16666666666667 0.17900975751692 15.999 > 1 50 O 0.82649085192575 0.16666666666667 0.17900975751692 15.999 > 1 51 O 0.32649085192575 0.50000000000000 0.17900975751692 15.999 > 1 52 O 0.82649085192575 0.50000000000000 0.17900975751692 15.999 > 1 53 O 0.32649085192575 0.83333333333333 0.17900975751692 15.999 > 1 54 O 0.82649085192575 0.83333333333333 0.17900975751692 15.999 > 1 55 O 0.32649085192575 0.16666666666667 0.67900975751692 15.999 > 1 56 O 0.82649085192575 0.16666666666667 0.67900975751692 15.999 > 1 57 O 0.32649085192575 0.50000000000000 0.67900975751692 15.999 > 1 58 O 0.82649085192575 0.50000000000000 0.67900975751692 15.999 > 1 59 O 0.32649085192575 0.83333333333333 0.67900975751692 15.999 > 1 60 O 0.82649085192575 0.83333333333333 0.67900975751692 15.999 > 1 61 O 0.17350914807425 0.16666666666667 0.32099024248308 15.999 > 13 62 O 0.67350914807425 0.16666666666667 0.32099024248308 15.999 > 13 63 O 0.17350914807425 0.50000000000000 0.32099024248308 15.999 > 13 64 O 0.67350914807425 0.50000000000000 0.32099024248308 15.999 > 13 65 O 0.17350914807425 0.83333333333333 0.32099024248308 15.999 > 13 66 O 0.67350914807425 0.83333333333333 0.32099024248308 15.999 > 13 67 O 0.17350914807425 0.16666666666667 0.82099024248308 15.999 > 13 68 O 0.67350914807425 0.16666666666667 0.82099024248308 15.999 > 13 69 O 0.17350914807425 0.50000000000000 0.82099024248308 15.999 > 13 70 O 0.67350914807425 0.50000000000000 0.82099024248308 15.999 > 13 71 O 0.17350914807425 0.83333333333333 0.82099024248308 15.999 > 13 72 O 0.67350914807425 0.83333333333333 0.82099024248308 15.999 > 13 73 O 0.46101324835546 0.16666666666667 0.03638022298479 15.999 > 25 74 O 0.96101324835546 0.16666666666667 0.03638022298479 15.999 > 25 75 O 0.46101324835546 0.50000000000000 0.03638022298479 15.999 > 25 76 O 0.96101324835546 0.50000000000000 0.03638022298479 15.999 > 25 77 O 0.46101324835546 0.83333333333333 0.03638022298479 15.999 > 25 78 O 0.96101324835546 0.83333333333333 0.03638022298479 15.999 > 25 79 O 0.46101324835546 0.16666666666667 0.53638022298479 15.999 > 25 80 O 0.96101324835546 0.16666666666667 0.53638022298479 15.999 > 25 81 O 0.46101324835546 0.50000000000000 0.53638022298479 15.999 > 25 82 O 0.96101324835546 0.50000000000000 0.53638022298479 15.999 > 25 83 O 0.46101324835546 0.83333333333333 0.53638022298479 15.999 > 25 84 O 0.96101324835546 0.83333333333333 0.53638022298479 15.999 > 25 85 O 0.03898675164454 0.16666666666667 0.46361977701522 15.999 > 37 86 O 0.53898675164454 0.16666666666667 0.46361977701522 15.999 > 37 87 O 0.03898675164454 0.50000000000000 0.46361977701522 15.999 > 37 88 O 0.53898675164454 0.50000000000000 0.46361977701522 15.999 > 37 89 O 0.03898675164454 0.83333333333333 0.46361977701522 15.999 > 37 90 O 0.53898675164454 0.83333333333333 0.46361977701522 15.999 > 37 91 O 0.03898675164454 0.16666666666667 0.96361977701522 15.999 > 37 92 O 0.53898675164454 0.16666666666667 0.96361977701522 15.999 > 37 93 O 0.03898675164454 0.50000000000000 0.96361977701522 15.999 > 37 94 O 0.53898675164454 0.50000000000000 0.96361977701522 15.999 > 37 95 O 0.03898675164454 0.83333333333333 0.96361977701522 15.999 > 37 96 O 0.53898675164454 0.83333333333333 0.96361977701522 15.999 > 37 97 Nd 0.09894062860027 0.00000000000000 0.36562735058458 144.242 > 97 98 Nd 0.59894062860027 0.00000000000000 0.36562735058458 144.242 > 97 99 Nd 0.09894062860027 0.33333333333333 0.36562735058458 144.242 > 97 100 Nd 0.59894062860027 0.33333333333333 0.36562735058458 144.242 > 97 101 Nd 0.09894062860027 0.66666666666667 0.36562735058458 144.242 > 97 102 Nd 0.59894062860027 0.66666666666667 0.36562735058458 144.242 > 97 103 Nd 0.09894062860027 0.00000000000000 0.86562735058458 144.242 > 97 104 Nd 0.59894062860027 0.00000000000000 0.86562735058458 144.242 > 97 105 Nd 0.09894062860027 0.33333333333333 0.86562735058458 144.242 > 97 106 Nd 0.59894062860027 0.33333333333333 0.86562735058458 144.242 > 97 107 Nd 0.09894062860027 0.66666666666667 0.86562735058458 144.242 > 97 108 Nd 0.59894062860027 0.66666666666667 0.86562735058458 144.242 > 97 109 Nd 0.40105937139973 0.00000000000000 0.13437264941542 144.242 > 109 110 Nd 0.90105937139973 0.00000000000000 0.13437264941542 144.242 > 109 111 Nd 0.40105937139973 0.33333333333333 0.13437264941542 144.242 > 109 112 Nd 0.90105937139973 0.33333333333333 0.13437264941542 144.242 > 109 113 Nd 0.40105937139973 0.66666666666667 0.13437264941542 144.242 > 109 114 Nd 0.90105937139973 0.66666666666667 0.13437264941542 144.242 > 109 115 Nd 0.40105937139973 0.00000000000000 0.63437264941542 144.242 > 109 116 Nd 0.90105937139973 0.00000000000000 0.63437264941542 144.242 > 109 117 Nd 0.40105937139973 0.33333333333333 0.63437264941542 144.242 > 109 118 Nd 0.90105937139973 0.33333333333333 0.63437264941542 144.242 > 109 119 Nd 0.40105937139973 0.66666666666667 0.63437264941542 144.242 > 109 120 Nd 0.90105937139973 0.66666666666667 0.63437264941542 144.242 > 109 121 Nd 0.34894062860027 0.16666666666667 0.36562735058458 144.242 > 97 122 Nd 0.84894062860027 0.16666666666667 0.36562735058458 144.242 > 97 123 Nd 0.34894062860027 0.50000000000000 0.36562735058458 144.242 > 97 124 Nd 0.84894062860027 0.50000000000000 0.36562735058458 144.242 > 97 125 Nd 0.34894062860027 0.83333333333333 0.36562735058458 144.242 > 97 126 Nd 0.84894062860027 0.83333333333333 0.36562735058458 144.242 > 97 127 Nd 0.34894062860027 0.16666666666667 0.86562735058458 144.242 > 97 128 Nd 0.84894062860027 0.16666666666667 0.86562735058458 144.242 > 97 129 Nd 0.34894062860027 0.50000000000000 0.86562735058458 144.242 > 97 130 Nd 0.84894062860027 0.50000000000000 0.86562735058458 144.242 > 97 131 Nd 0.34894062860027 0.83333333333333 0.86562735058458 144.242 > 97 132 Nd 0.84894062860027 0.83333333333333 0.86562735058458 144.242 > 97 133 Nd 0.15105937139973 0.16666666666667 0.13437264941542 144.242 > 109 134 Nd 0.65105937139973 0.16666666666667 0.13437264941542 144.242 > 109 135 Nd 0.15105937139973 0.50000000000000 0.13437264941542 144.242 > 109 136 Nd 0.65105937139973 0.50000000000000 0.13437264941542 144.242 > 109 137 Nd 0.15105937139973 0.83333333333333 0.13437264941542 144.242 > 109 138 Nd 0.65105937139973 0.83333333333333 0.13437264941542 144.242 > 109 139 Nd 0.15105937139973 0.16666666666667 0.63437264941542 144.242 > 109 140 Nd 0.65105937139973 0.16666666666667 0.63437264941542 144.242 > 109 141 Nd 0.15105937139973 0.50000000000000 0.63437264941542 144.242 > 109 142 Nd 0.65105937139973 0.50000000000000 0.63437264941542 144.242 > 109 143 Nd 0.15105937139973 0.83333333333333 0.63437264941542 144.242 > 109 144 Nd 0.65105937139973 0.83333333333333 0.63437264941542 144.242 > 109----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 4.5701389 0.0000000 -0.2047926 0.0000000 4.3277508 0.0000000 -0.2047922 0.0000000 4.4465805-------------------------- Born effective charges -------------------------- 1 O -2.6227305 0.0000000 0.0856739 0.0000000 -2.6744392 0.0000000 0.0384700 0.0000000 -2.3530437 2 O -2.6227305 0.0000000 0.0856739 0.0000000 -2.6744392 0.0000000 0.0384700 0.0000000 -2.3530437 3 O -1.3212360 0.0000000 -0.2647298 0.0000000 -1.3526249 0.0000000 -0.2807790 0.0000000 -1.5402414 4 O -1.3212360 0.0000000 -0.2647298 0.0000000 -1.3526249 0.0000000 -0.2807790 0.0000000 -1.5402414 5 Nd 3.9439665 0.0000000 0.1790558 0.0000000 4.0270641 0.0000000 0.2423090 0.0000000 3.8932852 6 Nd 3.9439665 0.0000000 0.1790558 0.0000000 4.0270641 0.0000000 0.2423090 0.0000000 3.8932852----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: -0.00000008 (xxx) -0.00000008 (xxx) -0.00000008 (xxx)Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330Length for sampling mesh generation: 50.00Generating grid system ... [ 15 15 8 ]fc3-r2q-transformation over three atoms: True--------------------------- Phonon calculations ----------------------------Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.94, Number of G-points: 301, Lambda: 0.21Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/488) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 488Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 3.131 ( 0.000 0.000 0.000) 0.000 3.138 ( 0.000 0.000 0.000) 0.000 6.147 ( 0.000 0.000 0.000) 0.000 6.404 ( 0.000 0.000 0.000) 0.000 7.134 ( 0.000 0.000 0.000) 0.000 8.026 ( 0.000 0.000 0.000) 0.000 9.365 ( 0.000 0.000 0.000) 0.000 9.573 ( 0.000 0.000 0.000) 0.000 11.827 ( 0.000 0.000 0.000) 0.000 11.840 ( 0.000 0.000 0.000) 0.000 12.534 ( 0.000 0.000 0.000) 0.000 12.984 ( 0.000 0.000 0.000) 0.000 13.017 ( 0.000 0.000 0.000) 0.000 13.061 ( 0.000 0.000 0.000) 0.000 25.533 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/488) =======================q-point: ( 0.07 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.519 ( 7.327 -26.645 -4.083) 27.934 0.627 ( 19.255 -25.722 1.817) 32.183 1.127 ( 31.140 -47.796 8.059) 57.612 3.150 ( -0.522 -2.097 0.057) 2.161 3.288 ( 7.941 -13.246 -0.247) 15.446 6.106 ( -2.420 3.240 -1.590) 4.345 6.549 ( 21.480 12.787 -3.431) 25.233 7.938 ( -9.726 -8.773 -48.433) 50.173 8.751 ( -6.331 13.370 62.326) 64.058 9.470 ( 0.201 -8.533 10.576) 13.591 9.548 ( 0.091 3.225 6.156) 6.951 11.796 ( -1.016 3.345 -2.381) 4.229 12.286 ( -23.715 16.882 -10.411) 30.916 12.622 ( 4.759 14.698 12.286) 19.738 12.966 ( 1.438 4.062 -1.230) 4.481 13.608 ( 9.646 -27.143 -4.780) 29.200 16.407 ( -16.909 -5.161 10.293) 20.457 25.530 ( -0.217 0.249 0.046) 0.334======================= Grid point 2 (3/488) =======================q-point: ( 0.13 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.013 ( 6.067 -25.218 -3.408) 26.160 1.240 ( 18.638 -24.913 1.577) 31.154 2.219 ( 28.790 -45.641 8.625) 54.648 3.203 ( 0.629 -4.498 -0.002) 4.542 3.696 ( 13.015 -22.177 -0.556) 25.720 5.990 ( -4.240 6.128 -3.975) 8.446 6.543 ( 8.730 5.635 -2.559) 10.702 7.900 ( -8.757 -3.814 -28.667) 30.216 8.554 ( 2.295 13.698 27.095) 30.447 9.459 ( 0.501 7.175 3.828) 8.148 9.649 ( 0.584 -8.333 15.808) 17.880 11.634 ( -9.096 19.364 -7.333) 22.616 11.765 ( -12.783 9.321 -6.176) 16.983 12.469 ( -2.848 8.678 4.844) 10.339 12.888 ( 0.059 5.943 0.395) 5.957 14.095 ( 7.713 -21.548 -5.045) 23.436 16.307 ( -10.887 2.000 10.664) 15.370 25.521 ( -0.418 0.466 0.011) 0.626======================= Grid point 3 (4/488) =======================q-point: ( 0.20 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.464 ( 4.676 -22.960 -2.342) 23.548 1.829 ( 17.547 -23.782 1.478) 29.591 3.185 ( 12.639 -32.999 7.623) 36.149 3.352 ( 14.345 -14.720 2.726) 20.734 4.246 ( 15.323 -26.072 -1.245) 30.267 5.811 ( -5.319 8.603 -7.492) 12.587 6.528 ( 3.202 3.041 -1.654) 4.716 7.808 ( -7.213 1.430 -14.640) 16.383 8.445 ( 6.019 7.331 9.049) 13.109 9.327 ( 0.475 9.802 6.462) 11.750 9.801 ( 1.459 -6.162 13.239) 14.675 11.103 ( -14.134 22.344 -10.521) 28.455 11.580 ( -5.890 7.442 -4.642) 10.565 12.275 ( -7.458 8.820 0.478) 11.560 12.782 ( -0.255 6.434 2.235) 6.816 14.462 ( 4.704 -16.025 -5.060) 17.451 16.159 ( -9.183 5.406 11.724) 15.843 25.507 ( -0.565 0.603 -0.122) 0.835======================= Grid point 4 (5/488) =======================q-point: ( 0.27 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.860 ( 3.718 -19.821 -1.156) 20.200 2.384 ( 16.040 -22.610 1.577) 27.767 3.435 ( 0.956 -9.530 -0.033) 9.578 4.103 ( 20.607 -30.419 14.108) 39.357 4.839 ( 15.567 -26.162 -1.351) 30.473 5.587 ( -5.349 9.568 -13.247) 17.194 6.505 ( -0.172 1.122 -0.713) 1.341 7.696 ( -2.215 4.042 -3.368) 5.708 8.441 ( 5.732 1.374 -2.685) 6.477 9.175 ( 1.065 10.036 6.872) 12.210 9.904 ( 1.031 -1.697 8.252) 8.488 10.631 ( -11.244 16.321 -7.591) 21.223 11.352 ( -7.452 11.127 -3.999) 13.976 12.029 ( -10.013 10.033 -3.117) 14.513 12.692 ( 0.526 4.611 3.252) 5.667 14.716 ( 2.352 -11.430 -5.124) 12.745 15.984 ( -7.808 7.081 11.935) 15.923 25.490 ( -0.610 0.622 -0.285) 0.917======================= Grid point 5 (6/488) =======================q-point: ( 0.33 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.188 ( 3.079 -15.487 -0.264) 15.792 2.905 ( 14.278 -21.546 1.811) 25.911 3.602 ( 2.145 -8.479 -0.292) 8.751 4.657 ( 7.671 -12.917 17.886) 23.359 5.309 ( 3.947 -4.409 3.993) 7.139 5.489 ( 8.976 -15.324 -23.321) 29.313 6.491 ( -1.677 -0.684 -0.381) 1.851 7.640 ( 2.803 2.701 2.876) 4.840 8.489 ( 4.757 -1.249 -6.651) 8.272 9.046 ( 1.748 8.022 5.455) 9.858 9.815 ( -6.597 10.715 -5.142) 13.593 10.406 ( -1.643 1.209 5.857) 6.202 11.067 ( -8.246 12.204 -3.669) 15.178 11.736 ( -11.218 11.515 -4.947) 16.820 12.650 ( 1.362 2.295 2.760) 3.839 14.885 ( 1.055 -8.092 -5.244) 9.700 15.807 ( -6.111 7.461 11.048) 14.665 25.474 ( -0.535 0.525 -0.376) 0.838======================= Grid point 6 (7/488) =======================q-point: ( 0.40 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.427 ( 2.220 -9.862 0.103) 10.110 3.390 ( 12.223 -20.544 2.088) 23.996 3.748 ( 2.803 -5.871 -0.615) 6.535 4.648 ( -7.736 11.311 8.025) 15.881 5.437 ( 6.070 -8.698 -1.940) 10.782 5.907 ( 9.950 -16.838 -7.619) 20.990 6.493 ( -1.628 -1.451 -0.490) 2.235 7.667 ( 5.110 -0.074 5.036) 7.175 8.552 ( 4.252 -1.706 -5.303) 7.007 8.960 ( 1.540 5.000 3.116) 6.089 9.502 ( -9.869 12.479 -8.434) 18.007 10.475 ( 2.627 -3.356 10.804) 11.615 10.820 ( -4.410 6.934 -4.041) 9.157 11.420 ( -11.147 11.850 -5.337) 17.122 12.641 ( 1.303 0.996 1.641) 2.320 14.999 ( 0.542 -5.591 -4.844) 7.417 15.652 ( -4.068 6.400 8.699) 11.541 25.462 ( -0.362 0.343 -0.321) 0.593======================= Grid point 7 (8/488) =======================q-point: ( 0.47 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.554 ( 0.831 -3.376 0.075) 3.477 3.809 ( -0.389 -13.480 4.619) 14.254 3.857 ( 12.380 -5.447 -4.087) 14.130 4.322 ( -10.108 14.690 1.731) 17.916 5.597 ( 2.515 -3.895 0.080) 4.636 6.163 ( 3.543 -6.034 -2.351) 7.381 6.500 ( -0.633 -0.713 -0.258) 0.988 7.728 ( 2.717 -0.784 2.596) 3.839 8.606 ( 2.332 -0.889 -1.720) 3.031 8.918 ( 0.548 1.712 0.954) 2.035 9.256 ( -5.022 5.345 -3.885) 8.300 10.493 ( -1.249 1.752 3.437) 4.055 10.828 ( 5.384 -5.509 1.592) 7.866 11.125 ( -8.811 9.475 -4.368) 13.656 12.642 ( 0.514 0.299 0.529) 0.796 15.066 ( 0.246 -2.349 -2.346) 3.329 15.551 ( -1.514 2.850 3.691) 4.903 25.455 ( -0.127 0.119 -0.126) 0.215======================= Grid point 16 (9/488) =======================q-point: ( 0.07 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 488Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.644 ( 30.458 0.000 8.131) 31.525 0.721 ( 34.070 0.000 8.414) 35.094 1.080 ( 52.810 0.000 3.344) 52.916 3.173 ( 4.355 0.000 -1.097) 4.491 3.291 ( 14.792 0.000 -0.321) 14.796 6.094 ( -4.671 -0.000 -3.381) 5.766 7.176 ( 4.108 0.000 0.478) 4.135 7.489 ( 5.209 0.000 -70.946) 71.137 8.850 ( -16.212 -0.000 107.438) 108.654 9.422 ( 2.338 0.000 19.054) 19.197 9.554 ( -1.738 -0.000 -0.823) 1.923 11.801 ( -3.964 -0.000 0.979) 4.083 12.117 ( -30.388 -0.000 -7.449) 31.288 12.768 ( -9.841 -0.000 10.947) 14.720 13.056 ( -0.492 -0.000 -0.537) 0.728 13.499 ( 25.626 0.000 -4.053) 25.944 16.142 ( -5.128 -0.000 8.180) 9.655 25.529 ( -0.401 -0.000 0.054) 0.405======================= Grid point 17 (10/488) =======================q-point: ( 0.13 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.931 ( 27.717 -3.035 3.825) 28.144 1.177 ( 29.689 -12.548 5.025) 32.621 1.923 ( 42.326 -31.972 6.155) 53.401 3.223 ( 7.175 0.324 -1.342) 7.306 3.558 ( 18.812 -11.675 0.226) 22.141 6.006 ( -6.488 3.049 -4.766) 8.608 6.884 ( 11.934 21.566 -4.638) 25.080 7.661 ( -6.301 -11.476 -29.877) 32.619 8.776 ( -4.423 7.707 41.828) 42.761 9.527 ( -1.204 1.035 0.275) 1.612 9.544 ( -0.125 -6.959 26.419) 27.320 11.707 ( -28.053 8.862 -7.544) 30.371 11.730 ( -6.725 4.151 -1.869) 8.120 12.588 ( -8.366 9.012 5.043) 13.290 12.987 ( 0.484 5.489 -0.546) 5.537 13.895 ( 17.299 -15.687 -3.689) 23.642 16.156 ( -11.002 -5.291 6.452) 13.809 25.522 ( -0.567 0.264 0.032) 0.626======================= Grid point 18 (11/488) =======================q-point: ( 0.20 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.300 ( 21.415 -10.470 0.765) 23.850 1.703 ( 24.580 -16.759 3.841) 29.997 2.854 ( 29.125 -31.744 7.301) 43.695 3.344 ( 14.463 -5.118 -0.390) 15.347 4.021 ( 19.008 -20.025 -0.183) 27.611 5.855 ( -7.470 5.611 -6.830) 11.573 6.702 ( 6.717 12.401 -1.772) 14.214 7.686 ( -6.204 -4.321 -15.805) 17.521 8.660 ( 3.274 9.323 14.555) 17.592 9.455 ( -2.646 4.998 7.160) 9.124 9.717 ( 1.180 -7.908 20.510) 22.013 11.212 ( -23.936 14.815 -10.917) 30.193 11.604 ( -6.889 4.596 -3.265) 8.902 12.345 ( -10.036 9.563 0.932) 13.894 12.891 ( 0.116 6.283 0.363) 6.294 14.284 ( 11.240 -14.028 -4.022) 18.420 16.094 ( -12.677 -0.808 8.555) 15.315 25.510 ( -0.672 0.478 -0.093) 0.829======================= Grid point 19 (12/488) =======================q-point: ( 0.27 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.689 ( 17.609 -12.473 0.093) 21.579 2.225 ( 20.218 -18.324 3.248) 27.479 3.338 ( 8.999 -8.460 0.892) 12.383 3.885 ( 28.153 -26.639 9.609) 39.932 4.572 ( 17.131 -24.064 -1.926) 29.602 5.655 ( -7.487 7.936 -10.227) 14.954 6.579 ( 1.663 7.420 0.243) 7.608 7.665 ( -4.030 -1.714 -7.094) 8.337 8.586 ( 7.043 7.002 2.191) 10.170 9.338 ( -1.497 7.502 9.315) 12.054 9.872 ( 1.595 -5.536 15.288) 16.338 10.732 ( -18.504 14.754 -11.525) 26.323 11.418 ( -9.164 7.765 -3.775) 12.591 12.074 ( -12.215 9.504 -2.350) 15.655 12.793 ( 0.934 5.852 1.103) 6.028 14.573 ( 7.085 -10.555 -4.320) 13.427 15.969 ( -12.487 1.816 10.076) 16.148 25.494 ( -0.668 0.581 -0.273) 0.926======================= Grid point 20 (13/488) =======================q-point: ( 0.33 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.056 ( 15.709 -11.277 0.176) 19.338 2.722 ( 16.336 -18.874 3.074) 25.151 3.542 ( 9.662 -5.967 -0.613) 11.372 4.535 ( 17.186 -18.639 16.125) 30.046 5.139 ( 14.430 -24.736 -2.213) 28.723 5.433 ( -5.194 7.172 -16.393) 18.632 6.492 ( -1.349 3.221 1.407) 3.765 7.656 ( -1.108 -1.218 -1.443) 2.189 8.573 ( 8.369 3.883 -3.245) 9.780 9.214 ( 0.671 8.205 9.308) 12.427 9.905 ( -3.563 6.072 2.154) 7.362 10.396 ( -9.072 3.588 -1.388) 9.854 11.156 ( -10.821 10.658 -3.162) 15.514 11.780 ( -13.590 9.764 -4.934) 17.447 12.729 ( 2.520 4.132 1.076) 4.958 14.772 ( 4.149 -7.659 -4.840) 9.965 15.822 ( -11.244 2.978 10.425) 15.619 25.477 ( -0.542 0.549 -0.407) 0.872======================= Grid point 21 (14/488) =======================q-point: ( 0.40 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.366 ( 14.369 -7.474 0.267) 16.199 3.185 ( 12.534 -18.869 3.340) 22.898 3.732 ( 10.996 -4.612 -1.621) 12.034 4.755 ( -2.245 5.667 10.525) 12.163 5.369 ( 5.322 -5.256 -5.636) 9.366 5.666 ( 9.677 -22.179 -7.271) 25.267 6.452 ( -2.257 -0.362 1.302) 2.630 7.682 ( 0.678 -1.955 1.187) 2.386 8.607 ( 8.168 1.882 -3.957) 9.269 9.110 ( 2.726 7.798 8.283) 11.698 9.617 ( -10.039 14.541 -8.363) 19.549 10.427 ( 1.074 -6.428 9.310) 11.365 10.874 ( -9.548 8.896 -3.300) 13.461 11.468 ( -13.875 10.092 -6.042) 18.190 12.703 ( 3.554 3.033 0.419) 4.691 14.906 ( 2.051 -5.906 -5.362) 8.236 15.680 ( -9.273 3.190 9.474) 13.636 25.464 ( -0.321 0.409 -0.406) 0.660======================= Grid point 22 (15/488) =======================q-point: ( 0.47 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.580 ( 12.662 -1.750 0.217) 12.784 3.592 ( 6.884 -16.395 4.647) 18.379 3.914 ( 13.838 -3.604 -4.100) 14.876 4.489 ( -8.396 16.216 0.433) 18.266 5.543 ( 4.074 -6.408 0.743) 7.629 6.027 ( 3.220 -13.557 -2.665) 14.186 6.458 ( -1.830 -2.324 0.926) 3.099 7.719 ( -0.861 -1.601 0.029) 1.818 8.642 ( 4.750 1.989 -2.641) 5.787 9.033 ( 4.179 6.843 7.040) 10.670 9.318 ( -5.137 8.901 -5.115) 11.480 10.508 ( -1.970 1.032 7.165) 7.502 10.762 ( -0.209 -5.134 -1.945) 5.494 11.164 ( -12.589 8.897 -5.387) 16.330 12.691 ( 3.542 2.924 -0.364) 4.607 15.002 ( 0.770 -4.863 -4.969) 6.995 15.564 ( -6.782 2.212 6.820) 9.869 25.457 ( -0.060 0.204 -0.256) 0.333======================= Grid point 23 (16/488) =======================q-point: (-0.47 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.673 ( 10.575 4.708 0.147) 11.577 3.799 ( -1.969 -3.090 4.528) 5.825 4.084 ( 3.965 15.811 -4.418) 16.889 4.208 ( 6.587 -8.253 -4.103) 11.329 5.615 ( -1.055 0.160 1.237) 1.634 6.158 ( -3.924 -2.430 1.501) 4.853 6.486 ( -0.810 -2.227 1.124) 2.623 7.690 ( -6.083 0.808 -4.564) 7.647 8.615 ( -1.098 2.560 -0.980) 2.953 8.985 ( 4.983 5.684 6.140) 9.738 9.253 ( 4.962 -1.430 2.489) 5.732 10.469 ( -1.299 -0.488 0.103) 1.391 10.827 ( -7.808 2.601 -4.726) 9.490 11.040 ( 2.929 -8.268 3.132) 9.314 12.673 ( 2.661 2.859 -1.166) 4.076 15.066 ( 0.282 -2.502 -1.943) 3.180 15.504 ( -3.885 -1.236 1.327) 4.287 25.456 ( 0.189 -0.024 -0.018) 0.192======================= Grid point 24 (17/488) =======================q-point: (-0.40 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.637 ( 8.635 11.014 0.184) 13.997 3.588 ( -12.098 17.320 -0.832) 21.144 3.886 ( 5.075 9.069 0.139) 10.393 4.529 ( 11.736 -12.673 -8.243) 19.138 5.521 ( -5.065 7.192 1.439) 8.913 6.033 ( -10.446 9.189 6.320) 15.281 6.512 ( 0.460 -0.837 1.430) 1.720 7.582 ( -9.544 0.326 -7.898) 12.393 8.559 ( -2.296 1.812 2.342) 3.747 8.957 ( 3.722 3.734 4.928) 7.217 9.431 ( 9.678 -8.890 7.344) 15.055 10.462 ( -3.682 0.895 -9.557) 10.281 10.739 ( -2.186 -4.564 2.569) 5.675 11.309 ( 7.736 -13.678 4.152) 16.253 12.648 ( 1.404 2.202 -2.075) 3.336 15.074 ( 0.470 2.158 2.833) 3.592 15.543 ( -1.065 -6.771 -5.672) 8.896 25.461 ( 0.386 -0.249 0.198) 0.500======================= Grid point 25 (18/488) =======================q-point: (-0.33 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.485 ( 7.144 16.786 0.468) 18.249 3.133 ( -12.039 21.692 -1.458) 24.852 3.773 ( 3.876 10.352 0.384) 11.060 4.734 ( 4.333 0.941 -16.516) 17.101 5.339 ( -3.905 5.754 2.586) 7.419 5.686 ( -14.629 17.382 14.101) 26.739 6.524 ( 1.253 0.716 1.350) 1.976 7.511 ( -7.907 -4.493 -6.979) 11.464 8.512 ( -1.574 2.561 5.971) 6.685 8.954 ( 1.099 -0.378 1.232) 1.694 9.713 ( 8.203 -11.020 7.945) 15.870 10.373 ( -4.016 0.026 -9.851) 10.638 10.925 ( 4.361 -12.938 3.727) 14.152 11.628 ( 8.171 -14.014 4.013) 16.711 12.627 ( 0.488 0.764 -3.080) 3.211 15.017 ( 1.102 6.205 4.878) 7.970 15.678 ( 1.014 -10.220 -9.379) 13.908 25.472 ( 0.500 -0.448 0.300) 0.735======================= Grid point 26 (19/488) =======================q-point: (-0.27 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.229 ( 5.802 21.771 1.055) 22.555 2.634 ( -11.618 23.783 -0.937) 26.486 3.626 ( 3.225 11.359 0.260) 11.811 4.424 ( -8.873 27.708 -14.912) 32.693 5.101 ( -13.013 21.896 -2.808) 25.625 5.496 ( 0.825 -7.022 17.485) 18.861 6.520 ( 1.010 1.225 1.095) 1.928 7.569 ( -3.039 -9.827 -2.839) 10.670 8.448 ( -1.549 4.510 6.647) 8.181 9.009 ( -0.890 -6.365 -2.749) 6.990 9.888 ( 0.705 -2.350 -0.861) 2.600 10.461 ( 3.749 -13.145 0.598) 13.683 11.208 ( 4.712 -14.009 3.057) 15.093 11.935 ( 7.298 -12.602 3.314) 14.935 12.633 ( 0.465 -1.700 -3.783) 4.173 14.901 ( 1.187 10.064 4.887) 11.251 15.864 ( 2.528 -11.303 -10.198) 15.432 25.486 ( 0.510 -0.590 0.263) 0.823======================= Grid point 27 (20/488) =======================q-point: (-0.20 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.883 ( 3.398 25.674 1.472) 25.940 2.114 ( -9.211 25.859 -0.014) 27.450 3.468 ( 1.121 10.752 -0.064) 10.811 3.710 ( -11.772 41.235 -9.330) 43.885 4.550 ( -12.671 26.593 1.038) 29.476 5.702 ( 3.118 -10.555 7.188) 13.145 6.507 ( -0.195 1.130 1.173) 1.640 7.760 ( 2.865 -12.701 3.988) 13.618 8.353 ( -3.514 3.999 0.781) 5.381 9.136 ( -1.227 -10.261 -3.898) 11.045 9.853 ( -1.536 3.552 -6.153) 7.269 10.829 ( 5.967 -22.592 6.299) 24.201 11.470 ( 3.478 -11.877 2.938) 12.720 12.190 ( 5.382 -9.902 1.338) 11.349 12.688 ( 0.820 -4.725 -3.154) 5.739 14.710 ( 0.235 14.819 4.136) 15.387 16.067 ( 3.499 -10.901 -9.104) 14.627 25.502 ( 0.411 -0.645 0.140) 0.777======================= Grid point 28 (21/488) =======================q-point: (-0.13 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.447 ( -1.375 27.910 0.720) 27.953 1.600 ( -2.839 28.760 1.352) 28.931 2.793 ( -13.528 48.490 -5.220) 50.611 3.346 ( 3.838 9.659 -0.190) 10.395 3.999 ( -8.077 26.505 0.587) 27.714 5.899 ( 1.917 -8.964 2.746) 9.569 6.479 ( -1.661 1.373 1.111) 2.424 8.027 ( 9.373 -7.659 19.716) 23.135 8.273 ( -7.846 -4.666 -17.031) 19.324 9.296 ( -0.879 -10.285 -2.534) 10.629 9.750 ( -0.779 6.258 -5.355) 8.273 11.307 ( 3.992 -26.796 4.649) 27.488 11.683 ( 2.987 -10.150 2.518) 10.876 12.370 ( 2.414 -6.935 -1.102) 7.425 12.787 ( 0.481 -6.239 -1.148) 6.362 14.419 ( -1.019 20.421 2.734) 20.628 16.263 ( 3.487 -9.424 -5.988) 11.698 25.515 ( 0.225 -0.596 0.027) 0.637======================= Grid point 29 (22/488) =======================q-point: (-0.07 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 488Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.958 ( -0.000 28.823 0.000) 28.823 1.093 ( -0.000 31.434 0.000) 31.434 1.849 ( -0.000 54.076 0.000) 54.076 3.238 ( -0.000 6.087 0.000) 6.087 3.543 ( -0.000 22.339 0.000) 22.339 6.039 ( 0.000 -6.362 -0.000) 6.362 6.438 ( -0.000 1.802 0.000) 1.802 8.094 ( -0.000 4.284 0.000) 4.284 8.448 ( 0.000 -18.844 -0.000) 18.844 9.441 ( 0.000 -7.711 -0.000) 7.711 9.618 ( -0.000 8.691 0.000) 8.691 11.693 ( 0.000 -12.339 -0.000) 12.339 11.974 ( 0.000 -25.828 -0.000) 25.828 12.468 ( 0.000 -4.030 -0.000) 4.030 12.888 ( 0.000 -5.364 -0.000) 5.364 14.026 ( -0.000 25.793 0.000) 25.793 16.420 ( 0.000 -7.103 -0.000) 7.103 25.525 ( 0.000 -0.455 -0.000) 0.455======================= Grid point 32 (23/488) =======================q-point: ( 0.13 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 488Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.252 ( 27.955 0.000 7.335) 28.901 1.394 ( 30.487 0.000 8.963) 31.777 2.116 ( 49.782 0.000 0.892) 49.790 3.294 ( 7.921 0.000 -1.973) 8.163 3.692 ( 24.216 0.000 0.097) 24.216 5.951 ( -8.175 -0.000 -5.438) 9.818 7.298 ( 7.843 0.000 0.910) 7.896 7.348 ( -5.915 -0.000 -27.139) 27.776 8.846 ( -3.956 -0.000 41.554) 41.742 9.499 ( -3.416 -0.000 -1.498) 3.730 9.532 ( 2.045 0.000 25.907) 25.987 11.470 ( -30.718 -0.000 -7.111) 31.530 11.691 ( -7.285 -0.000 1.754) 7.494 12.559 ( -13.150 -0.000 2.272) 13.345 13.039 ( -1.013 -0.000 -0.941) 1.383 13.944 ( 19.015 0.000 -0.368) 19.018 16.023 ( -7.648 -0.000 -0.724) 7.682 25.518 ( -0.686 -0.000 -0.002) 0.686======================= Grid point 33 (24/488) =======================q-point: ( 0.20 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.505 ( 27.213 1.447 5.621) 27.825 1.769 ( 27.133 -7.939 6.817) 29.081 2.776 ( 40.407 -18.820 2.091) 44.624 3.410 ( 12.074 -3.906 -2.454) 12.926 4.008 ( 24.969 -7.820 0.838) 26.178 5.832 ( -9.039 2.731 -5.939) 11.155 7.017 ( 1.589 17.299 -4.662) 17.986 7.520 ( -1.355 -7.911 -8.394) 11.614 8.831 ( 1.863 5.146 19.899) 20.638 9.459 ( -5.020 0.241 4.517) 6.757 9.642 ( 1.611 -5.958 23.856) 24.642 11.111 ( -26.706 6.369 -9.472) 29.043 11.590 ( -8.421 2.844 0.498) 8.903 12.364 ( -14.064 6.252 -0.621) 15.404 12.983 ( -0.598 4.561 -0.841) 4.677 14.206 ( 13.503 -9.627 -0.252) 16.585 15.952 ( -10.709 -1.519 -0.056) 10.816 25.509 ( -0.749 0.263 -0.110) 0.801======================= Grid point 34 (25/488) =======================q-point: ( 0.27 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.790 ( 25.581 -3.246 3.117) 25.974 2.195 ( 22.675 -11.936 5.411) 26.190 3.330 ( 18.087 -8.570 1.652) 20.083 3.793 ( 27.777 -20.347 0.492) 34.436 4.431 ( 21.326 -14.392 0.459) 25.732 5.669 ( -8.829 5.018 -7.090) 12.385 6.769 ( -0.686 12.854 0.818) 12.898 7.583 ( -0.755 -2.981 -4.467) 5.423 8.783 ( 6.521 7.258 4.765) 10.859 9.399 ( -4.775 2.112 9.622) 10.947 9.803 ( 1.766 -7.336 19.693) 21.089 10.716 ( -21.518 9.913 -12.329) 26.708 11.429 ( -9.754 5.564 -1.175) 11.291 12.090 ( -14.722 8.623 -2.865) 17.300 12.895 ( 0.373 5.267 -0.661) 5.321 14.484 ( 8.772 -9.774 -1.252) 13.193 15.850 ( -13.237 -0.528 3.231) 13.636 25.495 ( -0.711 0.442 -0.280) 0.883======================= Grid point 35 (26/488) =======================q-point: ( 0.33 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.122 ( 24.202 -5.879 1.603) 24.958 2.624 ( 18.141 -14.129 4.760) 23.481 3.577 ( 14.065 -4.698 -0.251) 14.831 4.436 ( 23.324 -20.347 7.653) 31.884 4.896 ( 15.335 -19.468 -3.345) 25.008 5.478 ( -6.625 6.637 -8.853) 12.896 6.578 ( -2.650 8.329 3.756) 9.513 7.612 ( 0.055 -1.795 -1.695) 2.469 8.749 ( 9.177 6.273 -1.492) 11.216 9.325 ( -2.344 4.038 11.259) 12.189 9.940 ( 0.977 -1.840 11.784) 11.966 10.347 ( -15.968 7.088 -10.235) 20.247 11.203 ( -11.117 8.799 -1.466) 14.254 11.785 ( -15.394 9.179 -4.827) 18.562 12.827 ( 2.530 4.270 -0.731) 5.017 14.694 ( 5.414 -7.347 -2.696) 9.516 15.723 ( -14.062 -0.149 5.989) 15.285 25.480 ( -0.555 0.487 -0.428) 0.853======================= Grid point 36 (27/488) =======================q-point: ( 0.40 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.457 ( 23.155 -5.058 0.772) 23.713 3.036 ( 13.850 -15.359 4.560) 21.178 3.791 ( 14.433 -4.083 -1.532) 15.077 4.818 ( 5.954 -2.072 10.561) 12.300 5.323 ( 3.185 -9.818 -18.823) 21.468 5.405 ( 8.852 -12.790 4.357) 16.153 6.456 ( -3.107 3.502 4.439) 6.451 7.644 ( 0.131 -2.055 -0.223) 2.071 8.755 ( 10.343 4.697 -2.655) 11.665 9.252 ( 0.150 5.224 10.902) 12.090 9.758 ( -8.790 14.988 -7.176) 18.798 10.305 ( -1.438 -9.245 6.010) 11.120 10.926 ( -10.868 10.230 -1.015) 14.960 11.469 ( -15.653 9.093 -6.238) 19.147 12.802 ( 4.916 3.370 -1.025) 6.047 14.833 ( 2.685 -5.231 -4.371) 7.327 15.598 ( -13.405 -0.416 7.422) 15.328 25.468 ( -0.310 0.406 -0.465) 0.690======================= Grid point 37 (28/488) =======================q-point: ( 0.47 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.735 ( 21.452 -0.945 0.378) 21.476 3.418 ( 9.626 -15.198 4.801) 18.620 3.993 ( 13.821 -3.489 -3.696) 14.726 4.688 ( -3.195 14.302 0.142) 14.655 5.474 ( 4.675 -7.123 -1.592) 8.667 5.790 ( 3.519 -17.759 -1.019) 18.133 6.411 ( -2.337 -0.635 3.592) 4.332 7.671 ( -1.901 -1.693 -0.872) 2.690 8.765 ( 7.327 5.677 -2.203) 9.527 9.185 ( 1.620 5.172 8.761) 10.302 9.440 ( -3.218 12.008 -5.003) 13.401 10.480 ( 1.409 -7.231 7.988) 10.866 10.690 ( -7.519 3.773 -2.822) 8.873 11.159 ( -15.052 8.324 -6.126) 18.258 12.798 ( 6.176 3.906 -1.316) 7.425 14.921 ( 0.568 -4.625 -5.513) 7.218 15.494 ( -11.402 -0.916 7.151) 13.490 25.460 ( -0.038 0.242 -0.358) 0.434======================= Grid point 38 (29/488) =======================q-point: ( 0.53 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.905 ( 18.674 4.917 0.337) 19.313 3.712 ( 4.003 -9.244 5.191) 11.333 4.162 ( 5.600 -3.766 -6.469) 9.348 4.410 ( 7.197 16.575 -3.169) 18.346 5.584 ( -0.503 -3.038 1.203) 3.306 6.017 ( -4.013 -9.421 1.288) 10.321 6.431 ( -1.146 -2.891 2.796) 4.182 7.631 ( -7.173 1.210 -4.318) 8.459 8.685 ( 0.173 6.881 -1.992) 7.165 9.158 ( 6.328 4.701 7.135) 10.633 9.323 ( 5.879 3.710 2.930) 7.544 10.466 ( -2.765 2.738 2.948) 4.882 10.736 ( -4.892 -5.070 -6.153) 9.353 10.934 ( -6.791 -1.913 0.668) 7.087 12.782 ( 5.782 5.165 -1.570) 7.910 14.994 ( -0.225 -5.100 -4.871) 7.056 15.424 ( -8.529 -1.847 4.673) 9.899 25.458 ( 0.198 0.041 -0.154) 0.254======================= Grid point 39 (30/488) =======================q-point: (-0.40 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.945 ( 15.410 10.759 0.502) 18.801 3.721 ( -5.693 9.575 0.754) 11.165 4.084 ( 0.554 7.464 0.403) 7.495 4.497 ( 19.012 -4.998 -9.658) 21.902 5.562 ( -4.369 2.913 1.511) 5.464 6.019 ( -10.706 1.027 4.650) 11.718 6.481 ( 0.085 -3.087 2.566) 4.015 7.487 ( -11.402 2.598 -7.718) 14.012 8.585 ( -1.107 3.850 -0.154) 4.008 9.135 ( 7.478 7.867 8.453) 13.758 9.425 ( 9.871 -4.532 6.293) 12.554 10.420 ( -4.560 0.860 -6.448) 7.944 10.636 ( -7.328 -1.960 -0.873) 7.636 11.133 ( 4.063 -15.052 3.075) 15.891 12.738 ( 4.127 5.616 -1.909) 7.226 15.069 ( 0.605 -3.713 -1.097) 3.919 15.407 ( -5.687 -4.789 -0.713) 7.469 25.462 ( 0.355 -0.164 0.056) 0.395======================= Grid point 40 (31/488) =======================q-point: (-0.33 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.861 ( 12.178 15.926 0.753) 20.063 3.377 ( -8.119 20.149 -1.497) 21.774 3.985 ( 3.459 8.827 1.469) 9.593 4.758 ( 14.778 -5.317 -14.010) 21.046 5.418 ( -5.193 7.819 2.532) 9.722 5.788 ( -15.901 11.158 9.497) 21.623 6.531 ( 0.948 -1.517 2.202) 2.837 7.350 ( -10.289 -1.847 -7.744) 13.009 8.532 ( -1.123 1.553 1.725) 2.578 9.073 ( 5.446 8.508 7.108) 12.353 9.649 ( 9.543 -8.365 7.907) 14.952 10.304 ( -8.190 0.926 -11.186) 13.895 10.745 ( 0.908 -12.010 3.331) 12.496 11.446 ( 4.953 -16.175 2.566) 17.110 12.681 ( 2.267 4.512 -2.316) 5.555 15.105 ( 1.800 1.457 3.575) 4.259 15.482 ( -3.128 -10.172 -6.412) 12.425 25.470 ( 0.410 -0.355 0.180) 0.572======================= Grid point 41 (32/488) =======================q-point: (-0.27 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.664 ( 8.887 20.564 0.950) 22.422 2.931 ( -7.243 23.516 -1.026) 24.628 3.848 ( 2.262 11.079 0.563) 11.322 4.777 ( 5.861 17.986 -15.644) 24.548 5.272 ( -4.323 9.345 -7.042) 12.474 5.443 ( -11.936 5.055 21.786) 25.351 6.549 ( 0.875 0.631 1.302) 1.691 7.351 ( -5.708 -9.127 -4.711) 11.751 8.506 ( -0.520 1.599 3.361) 3.758 8.997 ( 1.973 5.014 2.808) 6.076 9.853 ( 3.873 -4.486 4.269) 7.304 10.282 ( -2.598 -8.605 -5.641) 10.612 11.000 ( 2.166 -15.208 2.230) 15.522 11.762 ( 4.295 -15.496 2.125) 16.220 12.638 ( 1.130 1.959 -2.497) 3.369 15.064 ( 2.039 6.386 4.026) 7.820 15.651 ( -0.952 -13.201 -7.075) 15.007 25.482 ( 0.358 -0.515 0.182) 0.653======================= Grid point 42 (33/488) =======================q-point: (-0.20 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.350 ( 3.618 25.549 0.487) 25.808 2.472 ( -3.509 24.178 0.039) 24.431 3.668 ( 0.306 12.150 -0.069) 12.154 4.299 ( -0.479 36.968 -6.325) 37.508 4.863 ( -8.222 23.175 0.359) 24.593 5.549 ( 0.747 -11.092 5.564) 12.431 6.536 ( 0.360 1.678 0.583) 1.813 7.518 ( -1.222 -15.158 -1.096) 15.247 8.446 ( -0.239 6.252 2.760) 6.838 8.993 ( -0.261 -4.115 -0.737) 4.189 9.878 ( -0.536 1.560 -1.358) 2.137 10.523 ( 1.570 -18.951 1.295) 19.060 11.273 ( 1.396 -14.763 1.222) 14.879 12.040 ( 2.537 -13.251 1.186) 13.544 12.640 ( 0.648 -1.513 -1.816) 2.451 14.941 ( 1.161 11.039 2.349) 11.346 15.867 ( 0.311 -13.678 -4.528) 14.412 25.494 ( 0.211 -0.619 0.094) 0.661======================= Grid point 43 (34/488) =======================q-point: (-0.13 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 488Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.908 ( -0.000 28.137 0.000) 28.137 2.050 ( -0.000 25.884 0.000) 25.884 3.411 ( -0.000 24.732 0.000) 24.732 3.652 ( -0.000 32.340 0.000) 32.340 4.404 ( -0.000 26.560 0.000) 26.560 5.744 ( 0.000 -10.867 -0.000) 10.867 6.506 ( -0.000 2.088 0.000) 2.088 7.802 ( 0.000 -18.753 -0.000) 18.753 8.315 ( -0.000 8.467 0.000) 8.467 9.116 ( 0.000 -9.960 -0.000) 9.960 9.827 ( -0.000 3.878 0.000) 3.878 10.896 ( 0.000 -24.308 -0.000) 24.308 11.509 ( 0.000 -12.505 -0.000) 12.505 12.247 ( 0.000 -9.818 -0.000) 9.818 12.695 ( 0.000 -4.722 -0.000) 4.722 14.724 ( -0.000 16.036 0.000) 16.036 16.087 ( 0.000 -12.527 -0.000) 12.527 25.506 ( 0.000 -0.649 -0.000) 0.649======================= Grid point 48 (35/488) =======================q-point: ( 0.20 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 488Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.793 ( 24.111 0.000 6.176) 24.890 1.981 ( 25.578 0.000 9.228) 27.192 3.057 ( 43.921 0.000 -2.515) 43.993 3.471 ( 10.134 0.000 -2.491) 10.436 4.219 ( 27.441 0.000 0.708) 27.450 5.753 ( -9.690 -0.000 -4.840) 10.832 7.108 ( -13.096 -0.000 -7.339) 15.012 7.489 ( 10.768 0.000 1.224) 10.837 8.926 ( 3.660 0.000 19.098) 19.445 9.411 ( -4.872 -0.000 -1.880) 5.222 9.632 ( 0.482 0.000 27.341) 27.345 10.893 ( -23.795 -0.000 -10.063) 25.835 11.526 ( -9.532 -0.000 2.181) 9.779 12.259 ( -16.551 -0.000 -2.606) 16.755 13.011 ( -1.468 -0.000 -1.144) 1.861 14.252 ( 11.469 0.000 2.587) 11.757 15.838 ( -9.925 -0.000 -5.283) 11.244 25.503 ( -0.785 -0.000 -0.197) 0.810======================= Grid point 49 (36/488) =======================q-point: ( 0.27 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.028 ( 23.368 -0.138 5.046) 23.907 2.286 ( 22.407 -5.751 7.953) 24.462 3.454 ( 23.462 -0.857 -1.232) 23.510 3.738 ( 24.142 -16.490 -4.468) 29.576 4.526 ( 25.855 -4.104 1.091) 26.202 5.632 ( -9.037 2.379 -3.688) 10.046 6.896 ( -11.685 7.354 0.782) 13.828 7.595 ( 8.696 0.747 0.361) 8.736 8.958 ( 6.867 4.648 7.550) 11.214 9.362 ( -5.566 -0.588 4.496) 7.179 9.726 ( 0.229 -6.167 23.090) 23.901 10.620 ( -18.823 5.239 -12.220) 23.045 11.404 ( -10.200 3.160 1.456) 10.777 12.041 ( -17.116 4.844 -4.151) 18.266 12.964 ( -0.829 3.203 -1.229) 3.530 14.419 ( 7.201 -7.205 3.107) 10.650 15.723 ( -11.482 0.326 -4.816) 12.455 25.493 ( -0.738 0.224 -0.341) 0.843======================= Grid point 50 (37/488) =======================q-point: ( 0.33 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.300 ( 23.876 -3.571 3.245) 24.359 2.626 ( 18.601 -8.975 6.669) 21.703 3.657 ( 15.098 -2.947 -0.378) 15.387 4.315 ( 22.295 -21.390 -5.154) 31.324 4.857 ( 20.770 -6.917 1.325) 21.932 5.494 ( -6.134 4.072 -2.870) 7.902 6.668 ( -9.595 7.221 5.564) 13.235 7.642 ( 6.714 2.459 0.462) 7.165 8.944 ( 8.801 6.306 -1.055) 10.878 9.335 ( -4.008 -0.331 10.466) 11.212 9.884 ( 0.936 -8.215 17.055) 18.954 10.309 ( -15.150 9.429 -14.001) 22.682 11.222 ( -10.511 6.373 0.714) 12.313 11.758 ( -16.982 7.580 -5.172) 19.303 12.909 ( 1.456 3.079 -1.535) 3.736 14.610 ( 3.572 -8.288 2.111) 9.268 15.586 ( -13.227 0.488 -1.979) 13.383 25.481 ( -0.582 0.337 -0.474) 0.822======================= Grid point 51 (38/488) =======================q-point: ( 0.40 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.624 ( 24.598 -5.205 1.704) 25.200 2.968 ( 14.658 -10.985 5.888) 19.240 3.862 ( 13.546 -4.171 -0.651) 14.189 4.787 ( 8.905 -13.863 -4.761) 17.151 5.160 ( 12.777 -9.025 -0.668) 15.657 5.407 ( 2.185 1.034 -0.722) 2.523 6.491 ( -7.193 4.698 7.376) 11.323 7.659 ( 4.479 2.221 0.517) 5.026 8.941 ( 10.426 5.103 -2.590) 11.894 9.309 ( -2.689 1.675 11.141) 11.583 9.914 ( -5.879 13.257 -4.900) 15.307 10.117 ( -3.934 -10.193 2.826) 11.285 10.989 ( -9.703 9.288 1.198) 13.486 11.446 ( -16.673 8.570 -6.129) 19.723 12.896 ( 4.840 1.976 -1.875) 5.554 14.758 ( 1.196 -6.300 -0.235) 6.417 15.446 ( -14.454 -0.715 1.285) 14.529 25.470 ( -0.341 0.321 -0.516) 0.697======================= Grid point 52 (39/488) =======================q-point: ( 0.47 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.945 ( 24.472 -2.853 0.776) 24.650 3.297 ( 10.886 -12.319 5.340) 17.286 4.048 ( 9.865 -3.781 -2.358) 10.825 4.870 ( 2.020 6.243 -4.072) 7.722 5.391 ( 5.138 -7.770 -3.149) 9.833 5.565 ( 5.234 -12.213 2.606) 13.541 6.396 ( -4.202 1.083 7.015) 8.249 7.656 ( 0.840 1.746 -0.386) 1.975 8.955 ( 9.536 6.789 -2.013) 11.878 9.245 ( -4.200 2.710 7.474) 8.991 9.627 ( -0.243 12.484 -4.096) 13.141 10.315 ( 0.114 -12.916 3.707) 13.438 10.741 ( -7.313 9.847 1.899) 12.411 11.130 ( -16.205 8.305 -6.460) 19.321 12.923 ( 7.600 2.502 -1.962) 8.238 14.844 ( -0.494 -4.179 -3.318) 5.359 15.335 ( -14.225 -2.991 4.064) 15.094 25.463 ( -0.078 0.210 -0.433) 0.488======================= Grid point 53 (40/488) =======================q-point: ( 0.53 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.183 ( 21.995 2.936 0.564) 22.198 3.599 ( 7.264 -11.523 5.115) 14.550 4.152 ( 1.692 -1.462 -5.629) 6.057 4.752 ( 11.720 12.674 -3.289) 17.572 5.513 ( -0.624 -4.548 -0.920) 4.682 5.794 ( -3.432 -12.054 2.367) 12.755 6.386 ( -1.255 -1.885 5.600) 6.040 7.595 ( -5.187 3.349 -3.006) 6.867 8.838 ( 0.534 11.240 -2.388) 11.503 9.236 ( 3.580 -1.425 4.142) 5.657 9.508 ( 8.132 7.866 5.030) 12.381 10.505 ( -1.194 -0.732 3.755) 4.008 10.571 ( -3.337 -3.937 -4.328) 6.735 10.849 ( -13.896 4.414 -2.863) 14.859 12.940 ( 8.149 5.119 -1.776) 9.786 14.895 ( -1.533 -4.579 -5.050) 6.987 15.275 ( -11.680 -4.618 4.815) 13.451 25.460 ( 0.138 0.053 -0.257) 0.297======================= Grid point 54 (41/488) =======================q-point: (-0.40 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.280 ( 17.113 9.057 0.642) 19.373 3.784 ( 2.432 -1.033 4.208) 4.969 4.114 ( -3.628 1.536 -5.566) 6.820 4.736 ( 20.700 7.752 -5.353) 22.743 5.533 ( -4.329 -1.103 0.503) 4.496 5.876 ( -10.576 -5.445 3.413) 12.376 6.436 ( 0.772 -3.209 4.316) 5.433 7.432 ( -10.283 5.376 -5.840) 12.991 8.674 ( -0.195 7.616 -1.049) 7.690 9.310 ( 6.499 1.378 4.975) 8.300 9.521 ( 11.397 3.031 8.554) 14.569 10.398 ( -6.695 4.317 -5.061) 9.438 10.540 ( -7.547 0.441 -3.542) 8.349 10.905 ( 0.307 -15.323 2.899) 15.598 12.903 ( 6.229 7.739 -1.554) 10.055 14.972 ( -0.553 -6.909 -3.948) 7.977 15.261 ( -8.341 -4.926 2.814) 10.087 25.463 ( 0.261 -0.113 -0.067) 0.292======================= Grid point 55 (42/488) =======================q-point: (-0.33 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.230 ( 10.992 13.676 0.673) 17.559 3.637 ( -1.478 16.873 -0.326) 16.940 4.083 ( -1.219 0.818 0.208) 1.483 4.870 ( 19.912 0.357 -9.688) 22.147 5.472 ( -4.217 3.399 1.905) 5.741 5.765 ( -15.430 3.911 5.614) 16.879 6.507 ( 1.560 -2.923 3.048) 4.502 7.244 ( -9.627 2.663 -6.042) 11.674 8.573 ( -0.226 4.434 0.160) 4.443 9.297 ( 5.752 8.386 6.143) 11.881 9.660 ( 11.492 -3.576 8.400) 14.677 10.217 ( -11.685 2.590 -11.130) 16.344 10.574 ( -0.683 -8.305 2.219) 8.623 11.202 ( 2.121 -17.597 1.454) 17.784 12.813 ( 3.343 8.095 -1.375) 8.865 15.094 ( 2.212 -6.016 0.277) 6.416 15.282 ( -6.150 -6.883 -1.780) 9.400 25.469 ( 0.270 -0.272 0.057) 0.387======================= Grid point 56 (43/488) =======================q-point: (-0.27 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.055 ( 5.089 17.058 0.521) 17.809 3.277 ( -1.428 23.486 -0.598) 23.537 4.013 ( -0.256 6.803 0.476) 6.824 5.047 ( 16.509 1.608 -13.524) 21.402 5.348 ( -2.172 6.964 3.157) 7.949 5.472 ( -16.875 11.553 9.364) 22.493 6.557 ( 0.833 -0.967 1.337) 1.848 7.175 ( -4.641 -4.330 -3.332) 7.169 8.521 ( -0.339 1.580 0.613) 1.728 9.178 ( 2.699 11.217 3.453) 12.043 9.845 ( 7.518 -3.652 6.888) 10.831 10.108 ( -7.626 -4.918 -8.441) 12.394 10.768 ( 0.514 -13.921 1.264) 13.988 11.518 ( 1.689 -17.525 0.830) 17.626 12.714 ( 1.144 5.941 -0.999) 6.132 15.156 ( 1.782 1.768 2.655) 3.654 15.403 ( -2.461 -13.317 -3.839) 14.076 25.477 ( 0.174 -0.417 0.073) 0.458======================= Grid point 57 (44/488) =======================q-point: (-0.20 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 488Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.768 ( -0.000 20.968 0.000) 20.968 2.856 ( -0.000 25.118 0.000) 25.118 3.863 ( -0.000 10.747 0.000) 10.747 4.859 ( -0.000 28.625 0.000) 28.625 5.150 ( -0.000 16.488 0.000) 16.488 5.376 ( 0.000 -9.443 -0.000) 9.443 6.561 ( -0.000 0.846 0.000) 0.846 7.283 ( 0.000 -11.198 -0.000) 11.198 8.506 ( -0.000 1.015 0.000) 1.015 9.024 ( -0.000 7.418 0.000) 7.418 9.895 ( -0.000 0.627 0.000) 0.627 10.248 ( 0.000 -14.518 -0.000) 14.518 11.024 ( 0.000 -15.755 -0.000) 15.755 11.808 ( 0.000 -16.033 -0.000) 16.033 12.648 ( -0.000 2.321 0.000) 2.321 15.096 ( -0.000 6.536 0.000) 6.536 15.627 ( 0.000 -14.529 -0.000) 14.529 25.486 ( 0.000 -0.538 -0.000) 0.538======================= Grid point 64 (45/488) =======================q-point: ( 0.27 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 488Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.244 ( 19.328 0.000 4.837) 19.924 2.466 ( 20.507 0.000 9.059) 22.419 3.675 ( 10.699 0.000 -2.603) 11.011 3.826 ( 33.070 0.000 -7.093) 33.822 4.763 ( 26.188 0.000 -0.048) 26.188 5.564 ( -7.553 -0.000 0.106) 7.554 6.801 ( -16.587 -0.000 4.041) 17.072 7.727 ( 12.360 0.000 1.317) 12.430 9.089 ( 8.685 0.000 8.208) 11.950 9.298 ( -5.802 -0.000 -1.863) 6.094 9.695 ( -1.360 -0.000 24.437) 24.475 10.485 ( -13.626 -0.000 -12.295) 18.353 11.330 ( -10.459 -0.000 2.194) 10.687 11.897 ( -18.168 -0.000 -5.252) 18.912 12.975 ( -1.692 -0.000 -1.139) 2.040 14.421 ( 4.462 0.000 5.745) 7.274 15.609 ( -10.683 -0.000 -8.662) 13.753 25.487 ( -0.708 -0.000 -0.446) 0.837======================= Grid point 65 (46/488) =======================q-point: ( 0.33 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.459 ( 18.366 -3.375 3.757) 19.047 2.708 ( 17.636 -4.295 8.264) 19.944 3.775 ( 12.601 -0.358 -1.683) 12.718 4.218 ( 20.105 -12.748 -10.113) 25.865 5.026 ( 23.588 -1.321 -0.878) 23.641 5.493 ( -3.382 1.833 3.995) 5.546 6.624 ( -15.331 2.231 7.223) 17.094 7.810 ( 11.656 4.700 1.389) 12.645 9.122 ( 6.644 5.596 -1.231) 8.773 9.284 ( -1.831 -2.866 6.330) 7.185 9.768 ( -1.786 -6.661 18.056) 19.328 10.305 ( -9.293 6.197 -11.967) 16.370 11.201 ( -10.193 3.248 1.830) 10.853 11.673 ( -17.880 3.984 -5.599) 19.155 12.947 ( -0.484 1.087 -1.338) 1.790 14.512 ( 0.995 -6.050 6.596) 9.006 15.477 ( -10.867 1.506 -8.620) 13.952 25.478 ( -0.585 0.149 -0.542) 0.811======================= Grid point 66 (47/488) =======================q-point: ( 0.40 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.743 ( 19.268 -7.529 2.216) 20.805 2.974 ( 14.294 -6.999 7.269) 17.497 3.929 ( 11.873 -2.859 -0.498) 12.223 4.571 ( 5.306 -15.703 -13.201) 21.190 5.265 ( 19.329 -1.294 0.221) 19.374 5.461 ( 2.994 2.233 5.801) 6.900 6.460 ( -12.113 1.868 8.581) 14.961 7.816 ( 9.511 7.231 1.423) 12.032 9.097 ( 5.282 3.099 -2.409) 6.581 9.319 ( 1.133 0.809 8.254) 8.370 9.912 ( -2.296 -10.335 8.121) 13.343 10.063 ( -5.442 11.565 -8.734) 15.480 11.030 ( -8.697 6.101 2.037) 10.817 11.399 ( -16.995 6.862 -5.656) 19.181 12.948 ( 2.872 -0.338 -1.859) 3.438 14.638 ( -1.785 -7.938 6.045) 10.136 15.321 ( -11.664 2.221 -6.797) 13.682 25.470 ( -0.381 0.185 -0.561) 0.703======================= Grid point 67 (48/488) =======================q-point: ( 0.47 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.084 ( 20.320 -8.560 0.828) 22.065 3.241 ( 11.012 -8.759 6.384) 15.451 4.072 ( 6.651 -2.316 -1.100) 7.128 4.811 ( 0.078 -12.653 -12.782) 17.985 5.425 ( 11.244 2.591 7.095) 13.545 5.511 ( 6.336 -2.854 -0.531) 6.969 6.356 ( -7.857 -0.280 8.436) 11.532 7.769 ( 5.589 7.850 0.699) 9.662 9.129 ( 7.078 0.504 -0.443) 7.109 9.263 ( -3.000 6.891 4.454) 8.736 9.818 ( 0.476 10.619 -6.085) 12.248 10.101 ( -0.973 -12.185 4.724) 13.105 10.837 ( -6.034 8.483 3.094) 10.860 11.098 ( -16.003 8.271 -5.964) 18.976 13.008 ( 6.591 -1.046 -2.115) 7.001 14.745 ( -2.637 -6.565 3.683) 7.976 15.164 ( -12.892 0.351 -3.866) 13.464 25.464 ( -0.150 0.126 -0.474) 0.513======================= Grid point 68 (49/488) =======================q-point: ( 0.53 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.399 ( 19.630 -3.756 0.463) 19.992 3.501 ( 7.951 -10.071 5.160) 13.829 4.125 ( -0.812 -1.209 -3.602) 3.885 4.973 ( 9.521 -2.644 -7.785) 12.580 5.457 ( 1.377 0.512 2.974) 3.317 5.621 ( -0.211 -4.977 1.388) 5.171 6.338 ( -3.226 -2.852 7.020) 8.235 7.660 ( -0.425 8.688 -1.227) 8.785 9.045 ( -1.632 13.492 -1.934) 13.728 9.224 ( 3.769 -3.745 2.711) 5.965 9.720 ( 7.911 6.763 3.229) 10.897 10.316 ( -0.095 -13.732 -1.260) 13.790 10.644 ( -3.854 9.095 2.797) 10.267 10.800 ( -14.573 7.643 -4.467) 17.051 13.083 ( 8.320 1.549 -1.800) 8.652 14.806 ( -2.225 -3.549 -0.993) 4.305 15.068 ( -12.443 -5.021 0.630) 13.433 25.461 ( 0.039 0.018 -0.308) 0.311======================= Grid point 69 (50/488) =======================q-point: ( 0.60 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.562 ( 14.017 5.088 0.565) 14.923 3.740 ( 5.522 -9.146 4.755) 11.694 4.099 ( -3.137 1.161 -5.865) 6.751 5.064 ( 17.889 6.852 -3.522) 19.477 5.460 ( -3.398 -2.027 -1.140) 4.117 5.665 ( -10.079 -6.318 3.512) 12.403 6.392 ( 0.138 -4.010 4.931) 6.357 7.467 ( -5.693 9.894 -3.285) 11.878 8.824 ( -0.466 10.719 -1.349) 10.814 9.336 ( 4.151 -3.926 2.518) 6.244 9.729 ( 11.153 5.004 8.075) 14.651 10.400 ( -9.605 6.503 -9.006) 14.685 10.522 ( -0.298 1.995 -2.190) 2.978 10.655 ( -5.039 -10.936 5.064) 13.063 13.092 ( 6.579 6.559 -1.188) 9.366 14.846 ( -1.809 -5.372 -3.268) 6.543 15.078 ( -8.236 -7.426 2.579) 11.385 25.463 ( 0.134 -0.099 -0.132) 0.212======================= Grid point 70 (51/488) =======================q-point: (-0.33 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.520 ( 5.625 10.938 0.226) 12.302 3.875 ( 5.900 5.821 4.304) 9.339 4.021 ( -4.681 -1.514 -4.923) 6.959 5.111 ( 15.528 6.893 -4.152) 17.489 5.455 ( -2.105 -0.960 0.344) 2.339 5.636 ( -12.527 -3.001 3.117) 13.254 6.472 ( 1.210 -3.797 2.556) 4.734 7.247 ( -5.345 7.988 -3.014) 10.073 8.674 ( 0.165 7.481 -0.267) 7.487 9.416 ( 2.644 -0.136 1.864) 3.238 9.797 ( 12.702 2.512 9.860) 16.275 10.143 ( -12.937 6.387 -10.339) 17.749 10.488 ( -0.337 -1.261 0.878) 1.573 10.916 ( 0.175 -18.110 0.926) 18.134 12.997 ( 2.854 9.777 -0.628) 10.204 14.961 ( 0.330 -9.804 -1.815) 9.976 15.132 ( -4.280 -5.691 1.213) 7.223 25.467 ( 0.116 -0.209 -0.016) 0.240======================= Grid point 71 (52/488) =======================q-point: (-0.27 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 488Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.337 ( -0.000 14.098 0.000) 14.098 3.646 ( -0.000 20.317 0.000) 20.317 4.058 ( 0.000 -1.204 -0.000) 1.204 5.125 ( -0.000 0.858 0.000) 0.858 5.448 ( -0.000 2.045 0.000) 2.045 5.529 ( -0.000 7.023 0.000) 7.023 6.535 ( 0.000 -2.517 -0.000) 2.517 7.127 ( -0.000 2.200 0.000) 2.200 8.572 ( -0.000 4.748 0.000) 4.748 9.367 ( -0.000 8.025 0.000) 8.025 9.897 ( 0.000 -0.082 -0.000) 0.082 9.971 ( 0.000 -0.659 -0.000) 0.659 10.575 ( 0.000 -9.035 -0.000) 9.035 11.225 ( 0.000 -18.462 -0.000) 18.462 12.848 ( -0.000 9.149 0.000) 9.149 15.160 ( 0.000 -12.973 -0.000) 12.973 15.171 ( 0.000 -1.809 -0.000) 1.809 25.472 ( 0.000 -0.314 -0.000) 0.314======================= Grid point 80 (53/488) =======================q-point: ( 0.33 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 488Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.589 ( 14.005 0.000 3.451) 14.424 2.855 ( 16.076 0.000 8.229) 18.059 3.873 ( 9.502 0.000 -2.295) 9.776 4.277 ( 13.350 0.000 -11.957) 17.921 5.242 ( 21.610 0.000 -5.644) 22.335 5.510 ( 2.234 0.000 11.545) 11.759 6.492 ( -15.369 -0.000 8.311) 17.472 7.978 ( 12.048 0.000 1.112) 12.099 9.176 ( -5.808 -0.000 -1.437) 5.983 9.309 ( 11.607 0.000 1.991) 11.777 9.713 ( -2.195 -0.000 17.288) 17.427 10.274 ( -5.166 -0.000 -9.918) 11.183 11.129 ( -9.829 -0.000 1.813) 9.995 11.520 ( -17.557 -0.000 -5.558) 18.416 12.939 ( -1.574 -0.000 -0.953) 1.840 14.470 ( -1.222 -0.000 8.501) 8.588 15.380 ( -9.049 -0.000 -10.944) 14.201 25.473 ( -0.519 -0.000 -0.593) 0.788======================= Grid point 81 (54/488) =======================q-point: ( 0.40 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.778 ( 12.549 -6.734 2.440) 14.449 3.040 ( 13.538 -2.982 7.332) 15.682 3.989 ( 9.228 -2.947 -1.002) 9.739 4.396 ( 1.680 -6.818 -13.115) 14.877 5.428 ( 15.839 -0.727 -8.164) 17.834 5.571 ( 9.015 2.124 15.141) 17.749 6.358 ( -12.638 0.256 8.149) 15.040 8.042 ( 10.648 6.063 1.159) 12.307 9.116 ( -3.914 0.037 -0.588) 3.958 9.417 ( 10.737 1.726 0.974) 10.919 9.764 ( -1.927 -5.771 11.168) 12.718 10.164 ( -3.084 6.662 -7.673) 10.620 11.018 ( -8.262 2.445 1.739) 8.790 11.313 ( -16.245 3.601 -4.889) 17.343 12.939 ( 0.008 -1.802 -1.178) 2.153 14.504 ( -3.489 -5.217 8.820) 10.826 15.258 ( -8.024 2.776 -10.480) 13.488 25.467 ( -0.376 0.061 -0.573) 0.688======================= Grid point 82 (55/488) =======================q-point: ( 0.47 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.068 ( 12.408 -12.406 1.079) 17.579 3.238 ( 10.252 -5.293 6.223) 13.109 4.111 ( 5.745 -0.827 -0.178) 5.807 4.537 ( -2.306 -14.381 -11.832) 18.764 5.556 ( 8.372 -0.704 -3.729) 9.192 5.635 ( 11.466 5.294 9.465) 15.782 6.264 ( -9.013 -1.080 7.262) 11.625 7.999 ( 7.747 10.249 1.104) 12.894 9.104 ( -2.976 -2.421 1.496) 4.118 9.441 ( 8.095 7.674 -0.232) 11.157 9.879 ( -0.354 -7.399 0.349) 7.416 10.007 ( -0.787 6.483 -0.297) 6.538 10.894 ( -5.471 4.656 2.368) 7.564 11.066 ( -14.357 6.786 -4.491) 16.503 13.007 ( 3.233 -4.512 -1.653) 5.791 14.587 ( -4.687 -7.979 8.286) 12.422 15.100 ( -7.791 4.842 -8.999) 12.851 25.463 ( -0.196 0.038 -0.460) 0.502======================= Grid point 83 (56/488) =======================q-point: ( 0.53 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.412 ( 11.788 -12.587 -1.682) 17.327 3.439 ( 6.730 -8.150 6.577) 12.449 4.116 ( -0.788 1.990 -1.883) 2.851 4.806 ( 2.149 -18.469 -7.592) 20.084 5.580 ( 2.722 5.065 5.579) 8.012 5.645 ( 6.552 5.044 -1.507) 8.405 6.245 ( -4.767 -4.011 5.682) 8.432 7.862 ( 3.212 12.967 0.250) 13.361 9.113 ( -4.400 -0.886 1.752) 4.818 9.334 ( 5.962 10.513 -1.823) 12.222 9.891 ( 6.084 4.986 -0.209) 7.869 10.088 ( -0.858 -12.649 1.541) 12.771 10.747 ( -5.709 8.202 1.095) 10.053 10.805 ( -9.306 7.905 -2.710) 12.508 13.129 ( 5.339 -4.297 -1.537) 7.024 14.693 ( -3.436 -8.218 7.069) 11.372 14.934 ( -7.881 3.504 -7.345) 11.329 25.461 ( -0.042 -0.029 -0.285) 0.290======================= Grid point 84 (57/488) =======================q-point: ( 0.60 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.632 ( 3.711 -9.335 2.092) 10.261 3.687 ( 7.730 -5.143 0.774) 9.317 4.067 ( -2.323 0.304 -2.363) 3.327 5.131 ( 5.834 -15.825 -4.657) 17.497 5.491 ( 1.849 7.993 4.803) 9.507 5.573 ( -3.836 5.051 -1.382) 6.492 6.308 ( -1.130 -5.865 3.041) 6.703 7.640 ( -0.759 14.510 -0.803) 14.552 8.994 ( -1.481 9.795 -0.658) 9.928 9.311 ( 2.618 -1.672 0.821) 3.213 9.895 ( 6.473 2.944 3.650) 7.993 10.323 ( 1.745 -14.097 -3.156) 14.551 10.492 ( -9.542 9.944 -1.777) 13.895 10.641 ( -1.663 7.326 1.765) 7.716 13.213 ( 3.999 0.793 -0.766) 4.148 14.775 ( -0.467 -1.358 1.562) 2.122 14.871 ( -6.134 -7.949 -1.809) 10.202 25.462 ( 0.030 -0.101 -0.111) 0.153======================= Grid point 85 (58/488) =======================q-point: (-0.33 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 488Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.700 ( -0.000 6.691 0.000) 6.691 3.819 ( 0.000 -10.286 -0.000) 10.286 4.052 ( -0.000 2.335 0.000) 2.335 5.345 ( -0.000 7.999 0.000) 7.999 5.433 ( 0.000 -9.727 -0.000) 9.727 5.450 ( -0.000 1.784 0.000) 1.784 6.403 ( 0.000 -5.360 -0.000) 5.360 7.397 ( -0.000 12.942 0.000) 12.942 8.819 ( -0.000 9.819 0.000) 9.819 9.384 ( 0.000 -4.270 -0.000) 4.270 9.909 ( -0.000 1.012 0.000) 1.012 10.223 ( -0.000 12.456 0.000) 12.456 10.524 ( -0.000 5.157 0.000) 5.157 10.617 ( 0.000 -17.673 -0.000) 17.673 13.162 ( -0.000 7.340 0.000) 7.340 14.821 ( 0.000 -6.020 -0.000) 6.020 14.993 ( 0.000 -8.441 -0.000) 8.441 25.464 ( 0.000 -0.158 -0.000) 0.158======================= Grid point 96 (59/488) =======================q-point: ( 0.40 0.40 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 488Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.821 ( 8.445 0.000 2.068) 8.695 3.156 ( 11.928 0.000 6.441) 13.556 4.032 ( 6.601 0.000 -1.586) 6.789 4.327 ( -2.537 -0.000 -10.734) 11.029 5.537 ( 9.801 0.000 -4.593) 10.823 5.724 ( 12.501 0.000 11.292) 16.846 6.256 ( -9.784 -0.000 6.481) 11.736 8.198 ( 9.250 0.000 0.651) 9.273 9.067 ( -4.545 -0.000 -0.767) 4.609 9.547 ( 11.857 0.000 -6.407) 13.478 9.724 ( -0.702 -0.000 17.215) 17.230 10.186 ( -2.198 -0.000 -7.871) 8.172 10.959 ( -7.300 -0.000 1.156) 7.391 11.184 ( -14.181 -0.000 -3.711) 14.659 12.910 ( -1.111 -0.000 -0.630) 1.277 14.435 ( -3.989 -0.000 8.283) 9.193 15.204 ( -5.458 -0.000 -9.885) 11.292 25.463 ( -0.300 -0.000 -0.512) 0.593======================= Grid point 97 (60/488) =======================q-point: ( 0.47 0.40 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.972 ( 6.275 -9.028 1.258) 11.066 3.285 ( 8.804 -1.875 4.778) 10.191 4.133 ( 5.068 -3.617 0.612) 6.256 4.310 ( -4.773 -5.710 -9.492) 12.062 5.618 ( 5.966 -0.547 -1.207) 6.111 5.825 ( 9.748 3.071 6.005) 11.854 6.183 ( -6.378 -0.079 4.563) 7.842 8.222 ( 6.585 6.742 0.579) 9.442 9.038 ( -3.262 -1.456 0.149) 3.575 9.629 ( 10.468 2.882 -9.059) 14.140 9.770 ( -1.333 -3.383 16.309) 16.709 10.105 ( -1.271 5.281 -6.826) 8.724 10.890 ( -4.841 1.119 1.142) 5.098 11.022 ( -10.943 3.748 -2.605) 11.857 12.939 ( 0.197 -4.524 -0.737) 4.588 14.444 ( -3.906 -4.568 6.612) 8.935 15.112 ( -3.939 4.046 -7.498) 9.386 25.460 ( -0.176 -0.007 -0.369) 0.409======================= Grid point 98 (61/488) =======================q-point: ( 0.53 0.40 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.236 ( 4.118 -15.605 0.437) 16.145 3.405 ( 4.465 -4.007 2.528) 6.510 4.154 ( -0.184 2.750 -0.539) 2.808 4.490 ( -0.095 -18.200 -4.134) 18.664 5.658 ( 2.590 1.397 0.017) 2.942 5.823 ( 4.703 6.619 2.068) 8.379 6.153 ( -3.205 -2.091 2.727) 4.699 8.112 ( 2.985 12.105 0.392) 12.474 9.047 ( -2.010 -2.512 0.655) 3.283 9.577 ( 4.627 11.697 -2.090) 12.751 9.879 ( -0.957 -10.059 3.344) 10.643 10.018 ( 1.804 4.166 -1.705) 4.850 10.806 ( -4.627 5.465 0.035) 7.161 10.852 ( -3.964 5.380 -0.783) 6.728 13.054 ( 1.487 -7.699 -0.724) 7.875 14.524 ( -2.585 -7.958 4.171) 9.349 14.975 ( -2.632 7.014 -4.397) 8.686 25.459 ( -0.058 -0.050 -0.178) 0.194======================= Grid point 99 (62/488) =======================q-point: (-0.40 -0.60 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 488Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.517 ( 0.000 -6.795 -0.000) 6.795 3.533 ( 0.000 -15.914 -0.000) 15.914 4.093 ( -0.000 3.643 0.000) 3.643 4.824 ( 0.000 -20.980 -0.000) 20.980 5.612 ( -0.000 5.277 0.000) 5.277 5.711 ( -0.000 9.450 0.000) 9.450 6.204 ( 0.000 -5.404 -0.000) 5.404 7.894 ( -0.000 15.265 0.000) 15.265 9.067 ( -0.000 0.057 0.000) 0.057 9.397 ( -0.000 10.127 0.000) 10.127 9.973 ( -0.000 2.813 0.000) 2.813 10.083 ( 0.000 -13.878 -0.000) 13.878 10.630 ( -0.000 10.721 0.000) 10.721 10.750 ( -0.000 6.193 0.000) 6.193 13.185 ( 0.000 -5.899 -0.000) 5.899 14.665 ( 0.000 -10.066 -0.000) 10.066 14.840 ( -0.000 6.291 0.000) 6.291 25.460 ( 0.000 -0.088 -0.000) 0.088======================= Grid point 113 (63/488) =======================q-point: ( 0.47 0.47 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 488Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.938 ( 2.818 0.000 0.689) 2.901 3.349 ( 5.235 0.000 2.824) 5.948 4.120 ( 2.372 0.000 -0.568) 2.439 4.226 ( -3.333 -0.000 -4.338) 5.471 5.653 ( 2.615 0.000 0.215) 2.624 5.936 ( 5.512 0.000 2.582) 6.087 6.143 ( -2.888 -0.000 2.094) 3.568 8.332 ( 3.614 0.000 0.178) 3.618 8.999 ( -1.812 -0.000 -0.193) 1.823 9.677 ( 3.087 0.000 -8.179) 8.742 9.818 ( 3.961 0.000 15.439) 15.939 10.120 ( -2.073 -0.000 -6.994) 7.295 10.857 ( -2.758 -0.000 0.390) 2.786 10.965 ( -6.053 -0.000 -1.041) 6.142 12.893 ( -0.400 -0.000 -0.220) 0.456 14.383 ( -2.143 -0.000 3.446) 4.058 15.113 ( -1.710 -0.000 -4.001) 4.351 25.458 ( -0.096 -0.000 -0.203) 0.224======================= Grid point 114 (64/488) =======================q-point: (-0.47 -0.53 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 488Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.036 ( 0.000 -9.774 -0.000) 9.774 3.388 ( 0.000 -1.352 -0.000) 1.352 4.192 ( -0.000 1.644 0.000) 1.644 4.230 ( 0.000 -11.393 -0.000) 11.393 5.674 ( 0.000 -0.681 -0.000) 0.681 5.935 ( -0.000 3.587 0.000) 3.587 6.127 ( -0.000 0.159 0.000) 0.159 8.291 ( -0.000 7.001 0.000) 7.001 9.003 ( 0.000 -1.521 -0.000) 1.521 9.736 ( 0.000 -5.929 -0.000) 5.929 9.780 ( -0.000 8.282 0.000) 8.282 10.080 ( -0.000 2.539 0.000) 2.539 10.838 ( -0.000 1.138 0.000) 1.138 10.903 ( -0.000 3.469 0.000) 3.469 12.940 ( 0.000 -5.667 -0.000) 5.667 14.410 ( 0.000 -4.292 -0.000) 4.292 15.062 ( -0.000 4.597 0.000) 4.597 25.458 ( 0.000 -0.032 -0.000) 0.032======================= Grid point 229 (65/488) =======================q-point: ( 0.00 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 480Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.599 ( 4.388 0.000 29.782) 30.104 0.642 ( -23.001 -0.000 32.088) 39.481 1.043 ( 14.619 0.000 52.675) 54.666 3.092 ( -0.561 -0.000 -3.915) 3.955 3.108 ( 1.098 0.000 -3.072) 3.262 5.970 ( -0.279 -0.000 -16.299) 16.302 6.436 ( -3.980 -0.000 1.670) 4.317 7.135 ( 0.419 0.000 0.066) 0.424 9.383 ( 1.634 0.000 1.798) 2.430 9.574 ( -0.764 -0.000 0.105) 0.771 11.687 ( 123.727 0.000 3.105) 123.766 11.840 ( 0.895 0.000 0.020) 0.895 11.948 ( -71.928 -0.000 -1.638) 71.947 12.583 ( 6.225 0.000 4.565) 7.719 12.930 ( -2.080 -0.000 -5.368) 5.757 13.061 ( -0.487 -0.000 -0.072) 0.493 15.352 ( 11.324 0.000 0.224) 11.326 25.531 ( 0.089 0.000 -0.203) 0.222======================= Grid point 230 (66/488) =======================q-point: ( 0.07 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.711 ( -1.298 -19.161 19.290) 27.220 0.840 ( 12.791 -13.714 22.352) 29.177 1.682 ( 25.404 -33.219 38.810) 57.053 3.120 ( -1.371 -3.059 -2.987) 4.490 3.244 ( 8.498 -12.725 -4.219) 15.872 5.918 ( -2.057 2.731 -16.749) 17.095 6.478 ( 9.698 3.163 -2.189) 10.433 7.306 ( 0.052 -13.719 -12.665) 18.671 9.308 ( -6.437 14.187 5.747) 16.605 9.525 ( 1.524 2.258 0.968) 2.891 10.410 ( -4.375 48.493 40.414) 63.277 11.789 ( -4.991 3.297 1.537) 6.176 12.090 ( -17.195 12.473 -7.405) 22.496 12.801 ( -1.764 17.316 4.827) 18.063 12.898 ( 5.739 2.506 -3.872) 7.363 13.522 ( 11.863 -34.716 -3.370) 36.841 15.967 ( 16.208 -25.729 -29.355) 42.266 25.529 ( -0.056 0.297 -0.184) 0.354======================= Grid point 231 (67/488) =======================q-point: ( 0.13 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.112 ( 3.968 -22.261 11.437) 25.340 1.319 ( 17.715 -20.707 9.860) 28.979 2.603 ( 25.821 -39.560 26.494) 54.163 3.173 ( -0.388 -5.112 -2.790) 5.837 3.643 ( 13.561 -21.399 -4.589) 25.746 5.793 ( -4.715 5.496 -15.537) 17.141 6.496 ( 6.227 3.385 -2.149) 7.406 7.462 ( -0.965 -8.183 -15.288) 17.367 8.896 ( -5.320 22.168 9.644) 24.754 9.527 ( 2.391 2.601 3.687) 5.106 10.070 ( 5.114 10.128 19.962) 22.961 11.564 ( -19.567 21.736 1.078) 29.266 11.677 ( -6.477 6.023 -2.022) 9.073 12.505 ( -6.723 12.862 -2.174) 14.675 12.879 ( 2.580 4.198 -0.323) 4.938 14.064 ( 6.357 -22.329 1.368) 23.257 16.249 ( 0.777 -6.075 -13.599) 14.914 25.519 ( -0.368 0.580 -0.200) 0.715======================= Grid point 232 (68/488) =======================q-point: ( 0.20 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.531 ( 4.038 -21.387 8.325) 23.303 1.864 ( 17.874 -21.705 4.202) 28.430 3.271 ( -0.133 -8.070 -1.319) 8.178 3.550 ( 25.398 -38.365 16.771) 48.972 4.168 ( 15.315 -23.987 -5.391) 28.965 5.605 ( -6.341 7.752 -12.859) 16.299 6.492 ( 3.032 2.263 -1.954) 4.258 7.537 ( -0.736 -4.592 -12.194) 13.051 8.573 ( 0.323 14.721 4.615) 15.431 9.472 ( 2.318 7.770 8.159) 11.503 10.034 ( 4.141 4.677 7.338) 9.637 11.011 ( -18.038 19.505 2.200) 26.658 11.507 ( -5.828 7.880 -1.977) 9.998 12.217 ( -9.053 11.897 -6.644) 16.360 12.820 ( 0.227 4.397 1.848) 4.775 14.427 ( 3.373 -15.609 1.037) 16.003 16.244 ( -4.200 1.791 -2.789) 5.351 25.503 ( -0.603 0.741 -0.291) 0.999======================= Grid point 233 (69/488) =======================q-point: ( 0.27 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.915 ( 3.506 -18.824 6.294) 20.155 2.397 ( 16.512 -21.143 1.208) 26.853 3.417 ( 1.683 -8.758 -1.931) 9.125 4.405 ( 20.011 -32.826 9.704) 39.651 4.692 ( 13.952 -21.235 -7.807) 26.581 5.397 ( -5.575 6.720 -5.588) 10.366 6.479 ( 0.701 1.104 -1.772) 2.203 7.581 ( 0.819 -2.633 -7.853) 8.323 8.421 ( 4.069 6.886 0.438) 8.010 9.350 ( 2.769 11.008 11.263) 15.991 9.943 ( -1.976 9.778 -3.948) 10.729 10.635 ( -9.790 7.666 6.527) 14.043 11.283 ( -7.067 11.046 -2.208) 13.298 11.910 ( -10.466 11.934 -8.811) 18.155 12.754 ( -0.605 3.467 2.888) 4.553 14.665 ( 1.250 -10.556 -0.409) 10.638 16.128 ( -5.702 5.546 2.542) 8.350 25.483 ( -0.668 0.716 -0.390) 1.054======================= Grid point 234 (70/488) =======================q-point: ( 0.33 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.234 ( 2.839 -14.587 4.618) 15.561 2.896 ( 14.716 -20.056 -1.486) 24.920 3.581 ( 2.554 -8.357 -1.821) 8.927 4.806 ( -3.247 0.976 -21.782) 22.045 5.147 ( 12.652 -18.460 11.873) 25.334 5.460 ( 9.941 -16.569 6.312) 20.327 6.470 ( -0.517 -0.281 -1.510) 1.621 7.628 ( 2.480 -2.083 -4.417) 5.477 8.412 ( 6.102 0.757 -1.233) 6.271 9.212 ( 3.790 10.853 12.333) 16.860 9.667 ( -8.699 13.770 -8.033) 18.161 10.570 ( -0.688 -2.700 7.288) 7.802 11.001 ( -7.808 12.961 -2.060) 15.271 11.592 ( -10.882 11.754 -9.116) 18.430 12.705 ( -0.602 2.151 2.615) 3.439 14.814 ( 0.110 -7.189 -2.207) 7.521 15.966 ( -5.633 7.360 4.848) 10.460 25.466 ( -0.548 0.515 -0.419) 0.861======================= Grid point 235 (71/488) =======================q-point: ( 0.40 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.461 ( 1.912 -9.037 3.109) 9.747 3.349 ( 12.975 -17.973 -5.129) 22.752 3.728 ( 2.426 -6.139 -1.532) 6.777 4.559 ( -10.728 11.636 -17.183) 23.362 5.500 ( 7.332 -10.342 9.116) 15.614 5.916 ( 11.255 -18.235 6.981) 22.537 6.477 ( -0.489 -1.355 -0.901) 1.699 7.679 ( 1.845 -1.599 -3.894) 4.596 8.495 ( 6.276 -2.763 -0.469) 6.873 9.108 ( 4.289 8.775 12.169) 15.603 9.364 ( -7.843 9.647 -5.372) 13.544 10.666 ( 0.859 -3.178 6.970) 7.708 10.725 ( -4.340 8.090 -5.029) 10.467 11.286 ( -9.877 10.693 -7.258) 16.266 12.674 ( -0.700 1.202 1.580) 2.105 14.912 ( -0.098 -5.446 -3.917) 6.709 15.793 ( -4.721 7.814 5.275) 10.544 25.455 ( -0.300 0.215 -0.340) 0.502======================= Grid point 236 (72/488) =======================q-point: ( 0.47 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.577 ( 0.624 -2.873 2.103) 3.615 3.692 ( 10.855 -5.550 -12.238) 17.275 3.838 ( 0.033 -8.273 -0.757) 8.308 4.234 ( -10.696 9.823 -10.160) 17.723 5.665 ( 2.496 -2.282 6.265) 7.120 6.234 ( 5.182 -8.262 8.436) 12.895 6.498 ( 0.429 -0.991 0.218) 1.102 7.685 ( -2.274 0.336 -5.860) 6.295 8.600 ( 2.666 -3.545 1.141) 4.580 9.019 ( 2.009 7.081 6.111) 9.567 9.247 ( 1.969 -0.208 4.952) 5.333 10.502 ( -3.326 7.073 -1.900) 8.044 10.821 ( 0.285 -4.938 -3.883) 6.289 11.065 ( -2.510 3.824 -0.483) 4.599 12.652 ( -1.221 0.502 0.495) 1.410 14.991 ( 0.445 -4.661 -4.786) 6.695 15.635 ( -3.289 6.964 4.170) 8.758 25.452 ( -0.019 -0.086 -0.176) 0.197======================= Grid point 237 (73/488) =======================q-point: (-0.47 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.574 ( -0.836 3.363 1.987) 3.995 3.621 ( -0.641 15.215 -14.574) 21.078 3.865 ( -8.696 1.271 -2.260) 9.075 4.216 ( 5.158 -10.871 -7.555) 14.208 5.646 ( -2.199 5.270 4.452) 7.241 6.313 ( -1.190 2.527 11.031) 11.379 6.507 ( 1.309 1.232 0.746) 1.946 7.614 ( -6.535 0.874 -7.017) 9.629 8.656 ( -2.350 -2.989 3.069) 4.886 8.958 ( 3.158 4.185 2.511) 5.813 9.392 ( 8.754 -8.201 10.273) 15.793 10.388 ( -2.385 3.655 -5.840) 7.291 10.791 ( -2.336 0.040 -2.430) 3.371 11.190 ( 8.309 -9.854 1.730) 13.005 12.633 ( -2.059 -0.165 -0.285) 2.085 15.060 ( 1.093 -3.085 -3.103) 4.510 15.518 ( -1.248 4.355 0.591) 4.569 25.457 ( 0.221 -0.320 0.002) 0.389======================= Grid point 238 (74/488) =======================q-point: (-0.40 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.457 ( -2.020 9.203 2.942) 9.871 3.252 ( -8.587 19.252 -11.257) 23.897 3.743 ( -4.351 5.496 -1.418) 7.152 4.407 ( 2.724 -5.741 -13.724) 15.123 5.478 ( -5.982 9.750 2.415) 11.691 6.170 ( -6.417 11.281 15.896) 20.521 6.490 ( 2.406 2.635 -0.645) 3.626 7.545 ( -6.572 -2.475 -5.594) 8.978 8.675 ( -3.543 -1.865 6.366) 7.520 8.934 ( 1.780 1.811 -1.231) 2.822 9.665 ( 9.121 -9.714 7.105) 15.101 10.313 ( -1.649 0.097 -3.782) 4.127 10.871 ( 5.157 -7.780 1.036) 9.391 11.472 ( 9.895 -12.099 -0.293) 15.633 12.616 ( -2.902 -0.837 -0.815) 3.128 15.086 ( 0.544 1.608 3.071) 3.509 15.484 ( 1.976 -0.765 -7.095) 7.405 25.466 ( 0.381 -0.468 0.113) 0.613======================= Grid point 239 (75/488) =======================q-point: (-0.33 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.244 ( -2.713 14.102 4.957) 15.192 2.805 ( -11.466 20.776 -7.808) 24.982 3.591 ( -2.862 8.058 -1.534) 8.688 4.341 ( -6.172 10.771 -14.448) 19.049 5.219 ( -9.509 13.220 -2.823) 16.527 5.928 ( -6.157 9.852 19.097) 22.354 6.479 ( 3.100 1.464 -1.497) 3.741 7.570 ( -2.739 -7.096 -2.957) 8.161 8.638 ( -4.543 3.347 7.122) 9.087 8.956 ( 0.516 -4.372 -4.443) 6.255 9.802 ( 1.896 1.023 -4.400) 4.899 10.453 ( 7.462 -13.844 9.490) 18.368 11.115 ( 7.940 -12.277 0.777) 14.641 11.771 ( 10.085 -11.517 -1.587) 15.390 12.606 ( -3.163 -2.072 -1.503) 4.069 15.021 ( -0.821 6.776 8.442) 10.857 15.557 ( 5.362 -4.636 -13.727) 15.449 25.479 ( 0.460 -0.543 0.112) 0.720======================= Grid point 240 (76/488) =======================q-point: (-0.27 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.955 ( -3.455 17.758 7.744) 19.679 2.313 ( -13.141 22.483 -4.712) 26.464 3.422 ( -1.558 9.172 -1.546) 9.431 3.900 ( -16.233 25.482 -7.376) 31.100 4.792 ( -14.388 22.809 -3.804) 27.235 5.836 ( -1.173 0.032 10.450) 10.516 6.506 ( 2.135 -1.497 -0.542) 2.663 7.722 ( 3.054 -11.345 -0.351) 11.754 8.493 ( -7.008 7.324 1.032) 10.189 9.075 ( 1.470 -8.738 -2.593) 9.233 9.733 ( 0.504 5.884 -6.360) 8.679 10.863 ( 11.196 -20.093 13.745) 26.795 11.405 ( 7.076 -12.578 0.729) 14.450 12.035 ( 9.065 -8.631 -2.356) 12.736 12.630 ( -2.190 -4.889 -2.788) 6.040 14.871 ( -2.586 10.956 10.577) 15.446 15.687 ( 7.883 -5.147 -17.363) 19.751 25.493 ( 0.473 -0.564 0.019) 0.736======================= Grid point 241 (77/488) =======================q-point: (-0.20 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.607 ( -5.889 20.052 10.050) 23.189 1.787 ( -12.767 24.545 -0.197) 27.667 3.155 ( -16.262 32.545 4.008) 36.601 3.300 ( -7.673 9.881 -3.465) 12.982 4.221 ( -15.031 25.859 -2.827) 30.044 5.878 ( 1.083 -3.156 -0.906) 3.457 6.556 ( -1.594 -3.649 1.093) 4.129 7.994 ( 5.539 -13.668 -4.457) 15.407 8.287 ( -4.448 7.446 1.884) 8.875 9.245 ( 2.660 -8.792 -0.828) 9.223 9.628 ( 2.085 7.061 -3.805) 8.288 11.348 ( 12.047 -21.751 12.767) 27.951 11.653 ( 4.778 -9.382 2.003) 10.717 12.229 ( 7.315 -5.716 -3.308) 9.855 12.720 ( -0.720 -7.781 -4.071) 8.811 14.624 ( -5.701 15.905 10.921) 20.118 15.822 ( 9.762 -3.025 -20.633) 23.025 25.507 ( 0.431 -0.537 -0.100) 0.696======================= Grid point 242 (78/488) =======================q-point: (-0.13 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.174 ( -14.879 21.653 4.619) 26.676 1.283 ( -4.754 24.972 15.570) 29.810 2.312 ( -26.356 38.929 15.054) 49.363 3.171 ( -0.187 4.717 -3.250) 5.731 3.669 ( -12.414 22.450 -2.874) 25.814 5.940 ( 1.289 -3.275 -8.807) 9.484 6.585 ( -7.565 -4.933 1.301) 9.125 7.890 ( -12.944 11.514 -29.106) 33.872 8.560 ( 22.231 -20.442 29.724) 42.375 9.389 ( 3.731 -3.432 -1.119) 5.191 9.550 ( 4.413 4.554 1.908) 6.622 11.789 ( 2.987 -7.761 6.872) 10.788 11.876 ( 12.633 -19.110 4.189) 23.288 12.373 ( 5.883 -4.304 -3.524) 8.096 12.842 ( -0.835 -7.916 -4.086) 8.947 14.240 ( -10.534 22.778 8.182) 26.396 15.897 ( 10.412 3.838 -25.486) 27.797 25.519 ( 0.337 -0.452 -0.176) 0.591======================= Grid point 243 (79/488) =======================q-point: (-0.07 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.696 ( -11.462 16.391 16.496) 25.926 0.895 ( -4.331 19.449 27.336) 33.827 1.454 ( -23.468 35.145 31.147) 52.498 3.115 ( 1.242 2.277 -3.440) 4.308 3.257 ( -7.371 13.562 -3.144) 15.753 5.978 ( -0.120 -2.243 -13.968) 14.147 6.555 ( -16.733 -5.003 -1.596) 17.538 7.441 ( -9.900 22.191 -24.834) 34.745 9.326 ( 7.187 -19.765 14.959) 25.808 9.461 ( 13.292 -10.294 7.893) 18.573 9.697 ( 40.342 -17.626 35.609) 56.623 11.865 ( 1.235 -0.583 4.017) 4.243 12.307 ( 2.458 -14.437 -11.036) 18.338 12.504 ( 14.649 -2.630 4.592) 15.575 12.948 ( -2.595 -7.579 -2.238) 8.317 13.635 ( -18.210 35.730 -2.637) 40.190 15.743 ( 5.257 23.541 -29.184) 37.862 25.528 ( 0.187 -0.284 -0.206) 0.397======================= Grid point 245 (80/488) =======================q-point: ( 0.07 0.07 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 480Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.703 ( 27.228 0.000 8.536) 28.535 0.976 ( 21.604 0.000 22.014) 30.844 1.742 ( 33.003 0.000 44.655) 55.527 3.115 ( 4.032 0.000 -4.782) 6.255 3.234 ( 14.090 0.000 -4.390) 14.758 5.888 ( -4.147 -0.000 -17.516) 18.000 6.703 ( 18.595 0.000 -17.645) 25.634 7.185 ( 4.512 0.000 0.391) 4.529 9.367 ( -5.324 -0.000 4.447) 6.937 9.543 ( -2.338 -0.000 -0.336) 2.362 10.603 ( -46.240 -0.000 40.775) 61.650 11.817 ( -3.287 -0.000 0.532) 3.330 11.983 ( -23.008 -0.000 -4.883) 23.521 12.831 ( -11.463 -0.000 -3.353) 11.943 13.046 ( -0.875 -0.000 -0.382) 0.955 13.464 ( 35.766 0.000 0.900) 35.778 15.813 ( 15.848 0.000 -23.977) 28.741 25.530 ( -0.301 -0.000 -0.093) 0.315======================= Grid point 246 (81/488) =======================q-point: ( 0.13 0.07 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.055 ( 27.628 -4.349 6.377) 28.686 1.305 ( 24.690 -9.459 14.036) 29.935 2.368 ( 30.713 -25.770 32.859) 51.837 3.159 ( 6.390 -0.503 -4.805) 8.011 3.512 ( 19.493 -12.390 -4.462) 23.524 5.791 ( -5.526 2.936 -16.797) 17.925 6.717 ( 12.331 10.623 -10.059) 19.133 7.328 ( 4.186 -7.597 -7.116) 11.219 9.151 ( -9.482 15.474 7.094) 19.485 9.543 ( -0.646 -1.967 1.461) 2.534 10.248 ( -11.159 7.443 29.543) 32.446 11.615 ( -27.810 11.977 -0.031) 30.280 11.717 ( -4.380 5.619 0.132) 7.126 12.603 ( -13.345 9.694 -3.403) 16.842 12.976 ( 0.791 5.128 -0.334) 5.199 13.894 ( 20.145 -13.195 3.307) 24.307 16.020 ( -2.915 -13.654 -16.405) 21.542 25.522 ( -0.586 0.350 -0.080) 0.687======================= Grid point 247 (82/488) =======================q-point: ( 0.20 0.07 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.411 ( 21.216 -8.340 8.863) 24.458 1.777 ( 23.921 -14.868 6.546) 28.916 3.131 ( 14.486 -19.905 14.832) 28.740 3.322 ( 20.619 -16.408 0.970) 26.368 3.976 ( 20.374 -18.807 -3.254) 27.918 5.638 ( -6.026 5.695 -14.747) 16.918 6.639 ( 7.721 9.104 -4.454) 12.741 7.451 ( 2.604 -4.689 -8.457) 10.014 8.823 ( -3.075 15.383 4.467) 16.311 9.561 ( -0.325 0.517 4.778) 4.817 10.149 ( -0.568 3.980 15.851) 16.353 11.097 ( -25.719 16.135 1.576) 30.402 11.562 ( -6.031 6.666 -0.669) 9.014 12.292 ( -12.804 10.884 -6.169) 17.901 12.897 ( -0.413 4.766 0.298) 4.794 14.272 ( 12.049 -12.068 2.502) 17.235 16.108 ( -10.519 -7.503 -6.519) 14.472 25.507 ( -0.771 0.612 -0.184) 1.001======================= Grid point 248 (83/488) =======================q-point: ( 0.27 0.07 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.777 ( 17.490 -10.704 7.972) 22.001 2.270 ( 20.610 -16.596 3.085) 26.640 3.351 ( 8.301 -5.192 -0.571) 9.808 4.077 ( 22.356 -32.740 4.926) 39.950 4.496 ( 18.251 -19.986 -1.114) 27.088 5.452 ( -5.148 7.201 -9.911) 13.289 6.562 ( 3.986 6.618 -2.018) 7.985 7.528 ( 2.085 -3.387 -6.711) 7.801 8.612 ( 3.268 10.467 0.850) 10.998 9.522 ( 0.226 5.247 9.401) 10.768 10.075 ( -1.533 7.765 1.394) 8.037 10.645 ( -18.262 9.308 5.116) 21.126 11.366 ( -7.844 8.663 -1.013) 11.731 11.969 ( -13.353 10.962 -7.945) 19.015 12.815 ( -0.688 4.273 1.092) 4.464 14.542 ( 7.012 -8.858 0.928) 11.336 16.066 ( -12.217 -2.295 -0.288) 12.434 25.488 ( -0.785 0.698 -0.322) 1.099======================= Grid point 249 (84/488) =======================q-point: ( 0.33 0.07 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.126 ( 15.426 -9.894 6.437) 19.424 2.743 ( 17.094 -17.181 0.371) 24.239 3.527 ( 9.608 -5.253 -1.237) 11.020 4.675 ( 5.858 -15.236 -19.670) 25.561 4.993 ( 16.071 -18.898 11.055) 27.159 5.356 ( 2.941 -3.710 2.174) 5.210 6.498 ( 1.341 3.928 -0.783) 4.224 7.593 ( 1.945 -3.090 -4.806) 6.035 8.538 ( 7.623 5.342 -0.682) 9.333 9.429 ( 1.720 8.471 12.745) 15.400 9.810 ( -9.047 15.172 -8.414) 19.566 10.496 ( -6.092 -3.174 7.224) 9.969 11.114 ( -9.075 11.205 -0.505) 14.428 11.643 ( -13.581 10.615 -8.411) 19.180 12.751 ( 0.224 3.213 1.177) 3.429 14.717 ( 3.533 -6.116 -0.977) 7.130 15.956 ( -11.675 0.977 2.988) 12.091 25.469 ( -0.612 0.581 -0.408) 0.938======================= Grid point 250 (85/488) =======================q-point: ( 0.40 0.07 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.419 ( 14.030 -6.279 4.800) 16.103 3.182 ( 13.838 -17.101 -2.561) 22.147 3.704 ( 9.904 -4.120 -1.483) 10.829 4.623 ( -6.931 9.165 -23.012) 25.721 5.404 ( 9.130 -12.464 11.310) 19.147 5.700 ( 10.314 -20.964 7.177) 24.441 6.463 ( 0.092 0.909 -0.159) 0.927 7.651 ( 0.878 -2.382 -4.173) 4.884 8.566 ( 8.874 1.884 -0.656) 9.095 9.322 ( 2.458 9.306 12.677) 15.917 9.464 ( -7.568 12.583 -5.579) 15.707 10.567 ( -1.332 -7.634 2.409) 8.115 10.830 ( -8.437 11.506 -0.118) 14.268 11.331 ( -12.693 9.473 -6.899) 17.275 12.713 ( 1.363 2.669 0.568) 3.050 14.825 ( 1.285 -4.778 -2.942) 5.757 15.818 ( -10.088 2.907 4.306) 11.348 25.456 ( -0.315 0.322 -0.394) 0.598======================= Grid point 251 (86/488) =======================q-point: ( 0.47 0.07 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.618 ( 12.607 -0.814 3.489) 13.106 3.572 ( 10.005 -15.456 -6.203) 19.428 3.846 ( 9.894 -1.155 -2.449) 10.258 4.316 ( -8.040 13.614 -16.626) 22.944 5.634 ( 3.378 -6.061 7.733) 10.390 6.099 ( 4.466 -14.994 8.703) 17.903 6.470 ( 0.014 -1.592 0.315) 1.622 7.657 ( -2.785 0.376 -5.449) 6.130 8.616 ( 4.502 1.183 -0.389) 4.672 9.173 ( -0.378 7.832 1.595) 8.001 9.324 ( 5.043 4.640 10.903) 12.878 10.583 ( -5.927 8.498 0.241) 10.364 10.698 ( -1.784 -7.926 -5.571) 9.851 11.085 ( -8.047 4.939 -1.388) 9.544 12.685 ( 1.883 2.828 -0.182) 3.402 14.906 ( 0.460 -4.903 -4.505) 6.674 15.677 ( -8.003 3.725 4.321) 9.829 25.451 ( 0.002 0.021 -0.284) 0.284======================= Grid point 252 (87/488) =======================q-point: (-0.47 0.07 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.704 ( 10.998 5.273 2.959) 12.550 3.759 ( -4.396 2.320 -12.078) 13.061 3.927 ( 12.331 8.054 -5.801) 15.830 4.092 ( -0.082 -4.829 -7.683) 9.075 5.691 ( -1.654 1.293 5.992) 6.349 6.289 ( -2.473 -5.034 10.411) 11.826 6.506 ( 0.468 -1.925 0.829) 2.148 7.563 ( -7.738 2.918 -6.757) 10.679 8.614 ( -1.007 0.232 0.723) 1.261 9.104 ( 5.749 5.839 2.975) 8.718 9.397 ( 8.669 -3.123 13.229) 16.122 10.416 ( -4.972 5.190 -4.802) 8.644 10.724 ( -5.783 -2.540 -5.492) 8.370 11.096 ( 3.122 -8.502 2.089) 9.295 12.654 ( 1.529 2.956 -0.691) 3.399 14.993 ( 1.181 -5.411 -4.843) 7.357 15.553 ( -5.772 3.321 3.112) 7.350 25.454 ( 0.248 -0.239 -0.135) 0.370======================= Grid point 253 (88/488) =======================q-point: (-0.40 0.07 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.673 ( 9.443 11.143 3.359) 14.987 3.455 ( -9.313 17.264 -12.170) 23.084 3.870 ( 6.563 8.750 -1.649) 11.061 4.298 ( 6.089 -9.767 -13.075) 17.419 5.581 ( -5.290 8.155 4.487) 10.706 6.249 ( -8.675 4.654 13.447) 16.665 6.533 ( 1.371 0.071 0.447) 1.443 7.432 ( -9.048 0.079 -5.715) 10.702 8.611 ( -2.512 -1.801 2.781) 4.158 9.057 ( 5.122 7.298 2.794) 9.344 9.615 ( 9.775 -8.609 11.340) 17.271 10.286 ( -5.793 2.166 -6.923) 9.283 10.769 ( 0.138 -7.727 -0.021) 7.728 11.339 ( 6.266 -13.369 -1.167) 14.811 12.617 ( 0.641 2.554 -0.920) 2.790 15.089 ( 2.725 -3.659 -1.913) 4.947 15.470 ( -3.463 0.725 -0.899) 3.650 25.463 ( 0.382 -0.418 -0.025) 0.567======================= Grid point 254 (89/488) =======================q-point: (-0.33 0.07 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.536 ( 7.973 16.358 4.533) 18.754 3.031 ( -9.634 20.298 -8.473) 24.013 3.759 ( 4.701 10.814 -1.656) 11.908 4.403 ( 1.884 1.763 -16.363) 16.565 5.346 ( -7.371 12.490 1.163) 14.549 6.033 ( -11.607 9.681 17.199) 22.896 6.533 ( 1.942 1.674 -0.555) 2.623 7.400 ( -5.982 -6.479 -3.175) 9.372 8.624 ( -3.199 -1.711 5.348) 6.462 8.976 ( 2.150 5.992 -1.026) 6.448 9.818 ( 4.592 -2.627 2.099) 5.691 10.295 ( 0.069 -10.193 3.346) 10.729 10.966 ( 3.611 -12.639 0.157) 13.146 11.636 ( 6.850 -14.328 -3.257) 16.212 12.583 ( 0.062 1.512 -1.106) 1.874 15.128 ( 2.340 3.290 5.903) 7.151 15.484 ( 0.622 -5.525 -9.391) 10.914 25.475 ( 0.412 -0.525 -0.007) 0.667======================= Grid point 255 (90/488) =======================q-point: (-0.27 0.07 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.303 ( 5.571 20.798 5.706) 22.274 2.572 ( -9.017 22.311 -4.423) 24.467 3.610 ( 3.675 11.696 -1.851) 12.399 4.181 ( -4.458 21.109 -10.978) 24.207 5.005 ( -10.597 18.718 -3.601) 21.808 5.833 ( -7.866 3.066 14.407) 16.698 6.526 ( 1.737 1.073 -0.408) 2.082 7.519 ( -1.478 -12.434 -1.642) 12.629 8.563 ( -4.719 6.081 3.967) 8.659 8.963 ( 1.047 -4.129 -2.022) 4.715 9.815 ( 1.149 3.674 -3.687) 5.330 10.608 ( 3.846 -20.675 11.671) 24.051 11.232 ( 3.609 -14.316 -0.855) 14.789 11.926 ( 6.055 -13.032 -4.249) 14.985 12.575 ( 0.722 -0.566 -1.701) 1.932 15.043 ( -0.097 9.161 9.513) 13.207 15.623 ( 5.780 -8.340 -13.706) 17.054 25.488 ( 0.367 -0.583 -0.078) 0.693======================= Grid point 256 (91/488) =======================q-point: (-0.20 0.07 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.957 ( -1.443 24.585 3.416) 24.863 2.118 ( -3.844 23.810 3.345) 24.349 3.444 ( 1.097 11.434 -2.174) 11.690 3.630 ( -5.607 35.637 -0.433) 36.078 4.510 ( -11.980 25.284 -3.458) 28.191 5.806 ( -3.670 -3.846 2.737) 5.980 6.528 ( -0.016 0.182 0.944) 0.962 7.757 ( 0.254 -15.761 -4.448) 16.379 8.381 ( -3.955 8.210 1.909) 9.311 9.105 ( 1.928 -9.929 1.383) 10.209 9.754 ( 2.899 5.023 -2.635) 6.370 11.032 ( 1.389 -24.591 12.314) 27.537 11.489 ( 1.556 -13.205 -1.033) 13.337 12.166 ( 4.671 -9.864 -3.936) 11.602 12.622 ( 2.273 -3.775 -3.072) 5.372 14.849 ( -3.200 14.071 9.573) 17.317 15.817 ( 10.211 -7.250 -15.298) 19.770 25.501 ( 0.279 -0.605 -0.186) 0.691======================= Grid point 257 (92/488) =======================q-point: (-0.13 0.07 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.492 ( -4.756 26.583 2.406) 27.112 1.696 ( -2.559 25.550 10.670) 27.806 2.873 ( -6.482 43.292 11.183) 45.181 3.321 ( 4.460 10.190 -2.368) 11.372 3.966 ( -8.419 26.106 -3.276) 27.625 5.855 ( -2.274 -5.166 -7.049) 9.030 6.511 ( -2.928 0.485 1.886) 3.517 7.855 ( -9.447 1.399 -21.136) 23.193 8.417 ( 7.604 -14.134 16.531) 23.040 9.302 ( 3.112 -9.473 3.408) 10.537 9.711 ( 6.639 5.083 1.154) 8.441 11.473 ( -3.118 -27.021 10.202) 29.051 11.687 ( -1.198 -10.583 -1.321) 10.732 12.345 ( 4.374 -7.359 -1.811) 8.750 12.725 ( 2.509 -5.636 -4.529) 7.653 14.529 ( -6.634 20.165 7.654) 22.566 16.009 ( 13.985 -3.280 -17.605) 22.721 25.513 ( 0.172 -0.579 -0.259) 0.657======================= Grid point 258 (93/488) =======================q-point: (-0.07 0.07 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.036 ( 1.345 25.382 8.439) 26.782 1.225 ( -9.054 26.142 15.255) 31.593 2.144 ( 7.656 45.222 25.135) 52.301 3.211 ( 1.174 6.353 -2.644) 6.980 3.504 ( -0.849 22.140 -3.769) 22.474 5.899 ( -1.989 -4.261 -13.374) 14.176 6.461 ( -3.402 1.362 1.570) 3.987 7.597 ( -7.804 11.920 -23.339) 27.343 8.910 ( 3.277 -30.251 19.275) 36.020 9.458 ( 3.327 -3.892 2.064) 5.521 9.794 ( 15.721 -5.335 15.589) 22.773 11.764 ( -5.949 -8.150 5.463) 11.474 11.908 ( -8.728 -24.352 -4.011) 26.179 12.522 ( 5.682 -9.175 3.632) 11.387 12.827 ( 1.525 -4.662 -5.152) 7.113 14.065 ( -6.698 28.240 2.872) 29.165 16.118 ( 15.801 6.683 -23.623) 29.196 25.523 ( 0.061 -0.480 -0.255) 0.547======================= Grid point 261 (94/488) =======================q-point: ( 0.13 0.13 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 480Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.391 ( 36.013 0.000 -2.471) 36.097 1.487 ( 23.324 0.000 15.294) 27.891 2.511 ( 32.752 0.000 31.981) 45.776 3.223 ( 7.920 0.000 -5.147) 9.446 3.634 ( 25.814 0.000 -4.987) 26.291 5.735 ( -5.908 -0.000 -16.182) 17.227 6.918 ( 7.968 0.000 -17.061) 18.830 7.314 ( 8.172 0.000 0.632) 8.196 9.210 ( -9.661 -0.000 6.965) 11.910 9.480 ( -3.769 -0.000 -0.392) 3.790 10.218 ( -9.032 -0.000 28.068) 29.486 11.415 ( -31.582 -0.000 2.664) 31.695 11.715 ( -6.888 -0.000 0.588) 6.913 12.522 ( -16.967 -0.000 -5.471) 17.827 13.024 ( -1.244 -0.000 -0.488) 1.336 14.011 ( 20.614 0.000 6.856) 21.724 15.842 ( -3.650 -0.000 -15.610) 16.031 25.518 ( -0.810 -0.000 -0.055) 0.812======================= Grid point 262 (95/488) =======================q-point: ( 0.20 0.13 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.654 ( 27.996 3.255 6.898) 29.016 1.852 ( 26.746 -8.346 5.917) 28.636 3.033 ( 27.385 -17.059 20.238) 38.086 3.332 ( 12.258 -4.326 -5.268) 14.026 3.973 ( 26.447 -8.891 -3.006) 28.063 5.632 ( -5.441 2.893 -14.016) 15.311 6.870 ( 5.331 8.892 -9.363) 13.970 7.428 ( 7.214 -2.387 -2.097) 7.883 9.016 ( -4.865 11.509 3.566) 12.994 9.501 ( -3.808 -5.029 1.694) 6.532 10.191 ( -2.602 0.786 20.546) 20.725 11.025 ( -30.441 8.590 3.287) 31.800 11.596 ( -7.672 4.815 0.198) 9.060 12.283 ( -16.772 6.367 -7.062) 19.280 12.968 ( -0.930 4.257 -0.546) 4.391 14.265 ( 15.136 -6.462 6.103) 17.553 15.841 ( -10.197 -8.019 -10.632) 16.773 25.506 ( -0.942 0.335 -0.152) 1.011======================= Grid point 263 (96/488) =======================q-point: ( 0.27 0.13 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.915 ( 25.139 -1.526 8.381) 26.544 2.268 ( 23.176 -10.681 3.870) 25.810 3.389 ( 12.863 -3.778 1.804) 13.527 3.806 ( 22.260 -26.229 -0.275) 34.402 4.417 ( 23.138 -13.945 0.791) 27.027 5.498 ( -3.818 5.330 -9.899) 11.874 6.747 ( 3.521 9.682 -3.241) 10.800 7.516 ( 5.466 -1.152 -2.630) 6.174 8.814 ( 1.754 10.379 -0.207) 10.529 9.537 ( -3.281 -2.594 5.071) 6.574 10.165 ( -1.185 4.005 8.568) 9.531 10.589 ( -24.728 8.889 4.575) 26.672 11.417 ( -8.374 7.029 0.081) 10.934 11.979 ( -15.999 8.883 -7.868) 19.919 12.883 ( -0.530 4.582 -0.421) 4.632 14.509 ( 10.098 -6.317 3.740) 12.484 15.836 ( -14.584 -7.272 -4.689) 16.958 25.489 ( -0.910 0.531 -0.304) 1.097======================= Grid point 264 (97/488) =======================q-point: ( 0.33 0.13 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.222 ( 23.555 -4.314 7.831) 25.194 2.676 ( 18.844 -12.528 1.784) 22.699 3.579 ( 13.776 -3.322 -0.348) 14.175 4.405 ( 11.181 -22.870 -15.200) 29.650 4.884 ( 18.681 -16.201 8.106) 26.023 5.382 ( 0.575 3.752 -2.149) 4.362 6.621 ( 1.691 8.111 0.271) 8.290 7.577 ( 3.966 -1.095 -2.063) 4.603 8.715 ( 7.199 6.770 -1.809) 10.047 9.528 ( -2.400 1.525 8.803) 9.251 9.958 ( -9.056 14.628 -7.630) 18.820 10.371 ( -10.310 -3.021 10.005) 14.680 11.195 ( -8.877 9.322 0.943) 12.907 11.654 ( -15.616 9.708 -7.831) 19.986 12.816 ( 1.032 3.591 -0.349) 3.752 14.680 ( 5.868 -4.241 1.119) 7.326 15.781 ( -15.707 -5.030 -0.259) 16.495 25.471 ( -0.695 0.525 -0.429) 0.971======================= Grid point 265 (98/488) =======================q-point: ( 0.40 0.13 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.534 ( 22.526 -3.689 6.626) 23.768 3.064 ( 14.772 -13.761 -0.669) 20.200 3.768 ( 13.633 -2.787 -1.374) 13.983 4.626 ( -1.312 -1.097 -25.515) 25.573 5.314 ( 11.304 -12.348 13.637) 21.592 5.490 ( 7.688 -14.082 4.219) 16.589 6.522 ( 0.698 5.188 1.995) 5.602 7.625 ( 1.893 -1.186 -1.882) 2.921 8.714 ( 9.950 4.212 -1.846) 10.961 9.451 ( -5.241 5.997 5.511) 9.685 9.619 ( -3.956 12.987 -1.314) 13.639 10.408 ( -4.652 -7.766 2.277) 9.335 10.937 ( -8.274 11.241 2.170) 14.125 11.334 ( -14.821 8.857 -6.519) 18.456 12.785 ( 3.342 2.879 -0.617) 4.454 14.777 ( 2.365 -2.863 -1.377) 3.961 15.696 ( -14.712 -3.029 2.359) 15.205 25.458 ( -0.358 0.349 -0.469) 0.686======================= Grid point 266 (99/488) =======================q-point: ( 0.47 0.13 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.794 ( 21.186 0.131 5.417) 21.868 3.423 ( 10.956 -13.971 -3.343) 18.067 3.926 ( 10.553 -1.512 -3.766) 11.307 4.469 ( -0.347 11.803 -19.125) 22.477 5.559 ( 3.497 -7.823 8.603) 12.142 5.867 ( 3.773 -18.252 7.444) 20.069 6.474 ( 0.751 1.661 2.596) 3.172 7.632 ( -2.101 0.590 -2.967) 3.683 8.724 ( 6.020 5.402 -2.298) 8.408 9.262 ( -3.724 5.842 -1.779) 7.152 9.503 ( 6.050 6.669 12.381) 15.309 10.511 ( -4.134 -9.262 -5.639) 11.605 10.680 ( -6.665 10.477 1.328) 12.488 11.068 ( -11.726 5.370 -1.826) 13.025 12.775 ( 5.035 3.564 -0.968) 6.245 14.834 ( 0.223 -3.370 -3.318) 4.735 15.600 ( -12.482 -1.426 3.470) 13.033 25.452 ( -0.012 0.091 -0.415) 0.425======================= Grid point 267 (100/488) =======================q-point: ( 0.53 0.13 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.956 ( 18.956 5.611 4.770) 20.337 3.699 ( 4.704 -7.308 -6.616) 10.923 4.002 ( 1.475 -2.041 -9.887) 10.203 4.265 ( 11.908 14.376 -9.101) 20.768 5.668 ( -1.975 -2.895 6.715) 7.574 6.129 ( -3.982 -11.433 8.688) 14.901 6.486 ( 1.277 -1.139 2.584) 3.099 7.537 ( -7.632 4.157 -4.469) 9.773 8.653 ( 0.297 4.901 -1.363) 5.096 9.228 ( 5.606 1.583 0.416) 5.840 9.511 ( 8.935 3.386 14.850) 17.659 10.453 ( -7.775 7.341 -5.032) 11.818 10.585 ( -5.581 -5.263 -7.042) 10.413 10.983 ( -2.972 -5.433 3.160) 6.952 12.755 ( 5.210 5.009 -1.087) 7.309 14.901 ( 0.304 -5.467 -4.286) 6.954 15.507 ( -9.753 -0.330 3.487) 10.363 25.453 ( 0.240 -0.156 -0.305) 0.419======================= Grid point 268 (101/488) =======================q-point: (-0.40 0.13 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.998 ( 16.018 11.080 4.903) 20.084 3.612 ( -4.965 12.779 -11.277) 17.752 4.051 ( 0.782 -0.227 -4.156) 4.235 4.272 ( 18.966 2.008 -11.011) 22.022 5.635 ( -5.100 3.388 5.622) 8.312 6.184 ( -10.713 -2.625 10.591) 15.291 6.531 ( 1.567 -1.695 2.128) 3.139 7.364 ( -9.768 3.856 -3.792) 11.166 8.595 ( -0.822 1.804 0.841) 2.154 9.238 ( 6.099 5.917 0.716) 8.528 9.627 ( 10.299 -3.427 14.252) 17.914 10.255 ( -9.240 4.495 -8.542) 13.362 10.626 ( -2.915 -7.188 -1.564) 7.913 11.156 ( 2.375 -13.433 -0.642) 13.656 12.709 ( 4.066 5.726 -0.912) 7.082 15.017 ( 2.514 -7.297 -3.735) 8.574 15.428 ( -7.274 0.031 2.412) 7.663 25.460 ( 0.351 -0.344 -0.208) 0.533======================= Grid point 269 (102/488) =======================q-point: (-0.33 0.13 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.924 ( 12.631 15.872 5.620) 21.049 3.269 ( -5.452 19.314 -9.119) 22.043 3.986 ( 3.100 8.765 -1.380) 9.399 4.435 ( 13.188 -1.310 -17.051) 21.596 5.475 ( -5.865 9.840 4.057) 12.153 6.045 ( -15.061 4.978 13.823) 21.040 6.563 ( 1.163 0.026 0.702) 1.359 7.256 ( -6.782 -2.280 -1.068) 7.235 8.575 ( -1.882 -0.669 2.636) 3.307 9.145 ( 2.716 10.002 -1.207) 10.434 9.825 ( 7.879 -4.350 9.247) 12.903 10.143 ( -6.196 -4.101 -3.798) 8.344 10.774 ( -0.013 -12.177 -0.508) 12.187 11.432 ( 3.742 -15.726 -3.847) 16.616 12.651 ( 2.768 4.947 -0.541) 5.695 15.165 ( 4.886 -4.542 1.274) 6.791 15.379 ( -4.827 -2.888 -2.625) 6.207 25.470 ( 0.329 -0.469 -0.174) 0.598======================= Grid point 270 (103/488) =======================q-point: (-0.27 0.13 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.739 ( 8.671 20.611 6.281) 23.226 2.858 ( -5.081 21.878 -5.796) 23.196 3.840 ( 2.102 11.339 -1.367) 11.613 4.459 ( 9.920 11.282 -17.069) 22.738 5.203 ( -6.743 16.016 0.533) 17.385 5.814 ( -14.262 5.069 15.492) 21.659 6.559 ( 0.573 1.177 -0.386) 1.365 7.312 ( -2.084 -9.423 0.873) 9.690 8.571 ( -3.371 -0.193 3.200) 4.652 8.996 ( 0.266 7.129 -3.348) 7.881 9.870 ( 0.884 2.241 -1.013) 2.614 10.322 ( 0.738 -17.053 8.264) 18.964 11.007 ( 0.717 -14.917 -1.496) 15.009 11.724 ( 3.156 -15.594 -5.853) 16.952 12.610 ( 2.518 2.751 -0.159) 3.733 15.178 ( -0.708 5.611 7.403) 9.316 15.495 ( 4.282 -11.031 -8.584) 14.619 25.481 ( 0.219 -0.555 -0.214) 0.634======================= Grid point 271 (104/488) =======================q-point: (-0.20 0.13 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.383 ( -0.075 26.665 -0.218) 26.666 2.481 ( -0.123 21.176 4.336) 21.615 3.655 ( 0.725 12.305 -1.371) 12.403 4.191 ( 8.529 29.315 -6.945) 31.310 4.806 ( -7.341 22.385 -2.311) 23.671 5.693 ( -8.974 -2.667 7.165) 11.789 6.542 ( -0.187 1.122 0.047) 1.139 7.504 ( 0.317 -13.696 -0.743) 13.720 8.470 ( -4.843 6.998 -0.574) 8.529 8.988 ( 1.628 -5.573 1.195) 5.928 9.838 ( 1.812 2.416 -1.632) 3.433 10.653 ( -1.954 -20.975 9.985) 23.312 11.259 ( -0.163 -14.857 -2.364) 15.045 11.985 ( 1.258 -13.916 -6.828) 15.551 12.619 ( 3.391 -0.398 -0.020) 3.414 15.030 ( -3.864 10.251 6.322) 12.649 15.742 ( 9.067 -11.210 -7.619) 16.307 25.492 ( 0.072 -0.623 -0.290) 0.691======================= Grid point 272 (105/488) =======================q-point: (-0.13 0.13 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.932 ( 1.026 27.438 1.395) 27.493 2.093 ( -3.757 24.489 6.232) 25.547 3.435 ( 1.767 16.822 0.555) 16.923 3.703 ( 7.561 35.525 4.579) 36.608 4.349 ( -1.297 25.787 -4.018) 26.131 5.706 ( -6.039 -6.540 -3.907) 9.721 6.512 ( -1.505 1.528 0.614) 2.231 7.698 ( -3.379 -8.563 -9.856) 13.487 8.350 ( -0.374 -0.243 3.431) 3.460 9.167 ( 3.296 -10.928 5.708) 12.762 9.830 ( 4.717 2.098 0.278) 5.170 10.994 ( -7.099 -23.894 8.354) 26.289 11.475 ( -2.086 -12.517 -2.510) 12.935 12.191 ( -0.865 -11.893 -6.251) 13.463 12.687 ( 3.815 -3.098 -0.261) 4.921 14.776 ( -5.647 15.520 4.841) 17.210 16.008 ( 10.804 -9.381 -7.386) 16.102 25.503 ( -0.076 -0.671 -0.338) 0.755======================= Grid point 273 (106/488) =======================q-point: (-0.07 0.13 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.510 ( 2.349 26.330 6.007) 27.109 1.629 ( -1.297 27.017 6.970) 27.931 3.043 ( 17.600 41.195 16.522) 47.747 3.336 ( -3.213 11.777 -0.391) 12.214 3.940 ( 7.378 25.745 -4.801) 27.208 5.755 ( -4.942 -6.783 -11.448) 14.194 6.470 ( -0.802 1.483 0.097) 1.689 7.639 ( -5.703 4.997 -17.904) 19.443 8.545 ( 1.496 -18.227 10.248) 20.964 9.389 ( 3.746 -9.159 6.693) 11.946 9.882 ( 8.329 -0.973 6.589) 10.665 11.319 ( -13.057 -25.678 4.925) 29.225 11.617 ( -4.582 -8.837 -2.583) 10.284 12.355 ( -2.947 -11.320 -3.995) 12.361 12.783 ( 3.151 -4.022 -0.505) 5.134 14.426 ( -3.799 20.821 2.889) 21.361 16.219 ( 8.360 -4.588 -9.200) 13.251 25.512 ( -0.213 -0.671 -0.308) 0.768======================= Grid point 277 (107/488) =======================q-point: ( 0.20 0.20 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 480Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.969 ( 20.935 0.000 11.002) 23.650 2.058 ( 30.349 0.000 0.065) 30.349 3.209 ( 30.120 0.000 15.153) 33.717 3.395 ( 10.414 0.000 -5.072) 11.584 4.179 ( 28.354 0.000 -3.186) 28.532 5.591 ( -3.908 -0.000 -11.275) 11.932 6.952 ( -0.551 -0.000 -8.828) 8.846 7.509 ( 10.925 0.000 0.695) 10.947 9.085 ( -3.453 -0.000 1.496) 3.763 9.392 ( -4.921 -0.000 -0.013) 4.921 10.204 ( -1.298 -0.000 20.869) 20.909 10.791 ( -30.243 -0.000 3.146) 30.407 11.551 ( -9.403 -0.000 0.254) 9.406 12.146 ( -18.381 -0.000 -8.216) 20.134 12.994 ( -1.561 -0.000 -0.433) 1.620 14.363 ( 12.865 0.000 8.705) 15.534 15.660 ( -9.890 -0.000 -12.255) 15.748 25.499 ( -1.042 -0.000 -0.227) 1.067======================= Grid point 278 (108/488) =======================q-point: ( 0.27 0.20 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.173 ( 21.638 0.745 8.820) 23.379 2.385 ( 24.614 -4.742 3.018) 25.248 3.482 ( 14.530 -1.475 1.110) 14.646 3.674 ( 21.762 -15.490 -1.575) 26.758 4.500 ( 25.606 -5.857 -1.451) 26.307 5.529 ( -1.145 2.804 -6.748) 7.397 6.878 ( -2.691 4.966 -3.085) 6.436 7.604 ( 10.408 1.960 0.375) 10.597 8.983 ( 1.334 8.087 -2.405) 8.542 9.413 ( -5.138 -6.439 1.246) 8.332 10.214 ( -0.849 1.115 16.074) 16.135 10.460 ( -25.602 5.566 1.712) 26.256 11.420 ( -9.747 3.895 0.162) 10.498 11.912 ( -17.727 4.541 -8.236) 20.067 12.946 ( -1.019 3.417 -0.549) 3.608 14.528 ( 9.206 -4.206 7.898) 12.838 15.578 ( -13.031 -4.740 -9.674) 16.907 25.486 ( -0.994 0.260 -0.369) 1.092======================= Grid point 279 (109/488) =======================q-point: ( 0.33 0.20 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.420 ( 22.366 -2.626 8.355) 24.019 2.710 ( 19.853 -7.119 2.606) 21.251 3.665 ( 13.960 -3.361 0.206) 14.360 4.147 ( 13.041 -19.256 -12.880) 26.585 4.866 ( 20.464 -10.133 2.521) 22.974 5.468 ( 3.039 4.470 -0.739) 5.456 6.748 ( -3.298 6.438 1.814) 7.457 7.654 ( 8.469 3.263 0.470) 9.088 8.891 ( 6.405 6.503 -3.918) 9.933 9.462 ( -5.297 -4.765 2.475) 7.542 10.077 ( -11.202 11.905 -7.445) 17.962 10.240 ( -8.591 -2.215 15.919) 18.224 11.239 ( -9.178 6.329 1.157) 11.209 11.628 ( -16.646 7.553 -7.368) 19.709 12.884 ( 0.919 3.266 -0.838) 3.495 14.682 ( 5.866 -3.626 5.032) 8.537 15.514 ( -16.047 -6.170 -5.283) 17.986 25.471 ( -0.768 0.352 -0.502) 0.983======================= Grid point 280 (110/488) =======================q-point: ( 0.40 0.20 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.721 ( 23.239 -4.239 7.775) 24.869 3.024 ( 15.608 -9.103 0.630) 18.079 3.855 ( 12.633 -2.835 -1.045) 12.989 4.482 ( 3.714 -12.726 -21.576) 25.323 5.243 ( 14.216 -12.891 7.426) 20.577 5.463 ( 6.324 1.331 4.196) 7.705 6.618 ( -2.832 5.645 4.707) 7.877 7.671 ( 5.458 3.187 0.460) 6.337 8.885 ( 10.175 4.246 -3.721) 11.636 9.439 ( -8.719 0.847 0.045) 8.760 9.781 ( -3.908 10.839 -1.164) 11.581 10.248 ( -5.549 -5.064 5.293) 9.189 11.032 ( -7.718 8.782 3.041) 12.081 11.318 ( -15.766 8.687 -6.038) 18.987 12.864 ( 4.109 1.991 -1.243) 4.732 14.770 ( 2.769 -1.320 1.406) 3.374 15.449 ( -17.059 -6.664 -1.016) 18.342 25.459 ( -0.417 0.273 -0.568) 0.756======================= Grid point 281 (111/488) =======================q-point: ( 0.47 0.20 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.024 ( 23.621 -2.042 7.047) 24.734 3.325 ( 11.648 -10.702 -1.746) 15.914 3.985 ( 6.530 -1.055 -5.618) 8.678 4.595 ( 6.625 0.499 -17.950) 19.140 5.506 ( 4.865 -3.631 10.025) 11.719 5.628 ( 4.024 -14.735 3.874) 15.758 6.528 ( -1.298 3.271 5.783) 6.769 7.650 ( 0.682 3.629 -0.377) 3.711 8.894 ( 7.400 7.032 -4.928) 11.336 9.287 ( -6.385 3.266 -1.737) 7.380 9.675 ( 5.366 5.275 8.744) 11.536 10.308 ( -4.955 -8.135 -4.492) 10.531 10.799 ( -6.638 11.048 2.351) 13.101 11.033 ( -13.525 6.245 -1.897) 15.017 12.887 ( 7.085 2.284 -1.575) 7.608 14.796 ( -0.012 -0.769 -1.569) 1.748 15.394 ( -15.629 -6.364 1.906) 16.983 25.452 ( -0.058 0.091 -0.548) 0.559======================= Grid point 282 (112/488) =======================q-point: ( 0.53 0.20 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.253 ( 21.727 3.594 6.444) 22.946 3.603 ( 8.168 -10.712 -4.037) 14.062 3.992 ( -1.141 1.819 -11.484) 11.683 4.604 ( 16.589 9.058 -9.071) 20.965 5.591 ( -2.264 -3.801 7.390) 8.613 5.881 ( -4.119 -13.540 5.776) 15.286 6.501 ( 0.461 0.523 5.498) 5.542 7.546 ( -5.503 5.999 -1.765) 8.330 8.772 ( 0.661 8.888 -4.260) 9.878 9.279 ( 4.364 -1.357 1.017) 4.682 9.688 ( 8.972 3.997 12.035) 15.534 10.370 ( -7.518 -5.208 -12.038) 15.118 10.560 ( -5.310 8.251 -0.845) 9.848 10.875 ( -7.792 -1.192 4.233) 8.947 12.906 ( 8.068 4.793 -1.560) 9.513 14.817 ( -0.838 -3.429 -2.898) 4.567 15.352 ( -12.672 -5.173 3.011) 14.014 25.453 ( 0.199 -0.107 -0.469) 0.521======================= Grid point 283 (113/488) =======================q-point: (-0.40 0.20 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.345 ( 16.342 9.359 5.764) 19.695 3.751 ( 3.900 4.828 -7.522) 9.752 3.946 ( -1.767 -5.103 -10.383) 11.703 4.614 ( 21.110 11.047 -6.243) 24.630 5.605 ( -5.350 -1.400 6.372) 8.437 5.992 ( -11.451 -7.909 7.292) 15.711 6.526 ( 1.214 -1.293 4.267) 4.621 7.356 ( -8.401 6.852 -1.326) 10.922 8.655 ( 0.557 5.462 -1.017) 5.584 9.346 ( 4.979 0.506 -0.782) 5.066 9.752 ( 11.231 2.307 13.828) 17.964 10.216 ( -12.584 5.078 -10.917) 17.416 10.503 ( -1.921 -3.019 -2.248) 4.226 10.947 ( -1.737 -11.781 1.380) 11.988 12.875 ( 6.574 7.492 -1.139) 10.032 14.904 ( 1.182 -7.503 -2.757) 8.081 15.319 ( -9.497 -3.588 2.896) 10.557 25.458 ( 0.295 -0.266 -0.385) 0.553======================= Grid point 284 (114/488) =======================q-point: (-0.33 0.20 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.287 ( 8.509 13.220 4.229) 16.281 3.556 ( 3.166 17.974 -6.492) 19.371 4.022 ( -1.746 -3.409 -6.607) 7.637 4.654 ( 20.869 7.844 -10.559) 24.668 5.548 ( -4.154 3.729 5.612) 7.916 5.935 ( -16.298 -0.846 10.038) 19.160 6.562 ( 0.234 -1.166 2.032) 2.354 7.197 ( -5.211 2.702 1.724) 6.118 8.587 ( -0.325 3.137 1.077) 3.333 9.316 ( 1.577 7.342 -4.042) 8.528 9.881 ( 10.835 -1.454 13.129) 17.085 10.024 ( -10.562 0.667 -7.972) 13.250 10.581 ( -1.621 -8.983 -1.605) 9.268 11.184 ( 0.958 -16.147 -3.040) 16.459 12.795 ( 4.165 7.984 -0.382) 9.014 15.080 ( 4.579 -10.315 -1.534) 11.389 15.286 ( -7.140 -1.865 2.036) 7.656 25.466 ( 0.238 -0.378 -0.341) 0.562======================= Grid point 285 (115/488) =======================q-point: (-0.27 0.20 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.097 ( 1.722 15.951 1.828) 16.147 3.233 ( 3.066 23.710 -1.562) 23.959 3.982 ( -1.057 5.032 -3.912) 6.461 4.722 ( 18.275 6.546 -17.067) 25.848 5.399 ( -1.998 11.981 4.505) 12.955 5.747 ( -17.585 3.536 13.878) 22.679 6.568 ( -1.017 -0.001 -0.225) 1.041 7.190 ( 0.414 -4.090 4.594) 6.165 8.547 ( -1.578 0.868 2.026) 2.711 9.142 ( -1.970 10.891 -6.422) 12.796 9.886 ( -4.901 0.553 -3.240) 5.901 10.125 ( 5.928 -9.812 9.817) 15.093 10.758 ( -1.236 -13.870 -2.196) 14.097 11.466 ( 0.911 -16.740 -5.849) 17.756 12.710 ( 2.610 5.924 0.598) 6.501 15.225 ( -3.968 1.712 3.763) 5.731 15.333 ( 5.334 -12.650 -2.721) 13.996 25.474 ( 0.080 -0.464 -0.354) 0.589======================= Grid point 286 (116/488) =======================q-point: (-0.20 0.20 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.807 ( 0.619 20.263 -1.552) 20.332 2.837 ( -1.040 24.812 3.927) 25.142 3.843 ( -0.280 9.942 -2.312) 10.211 4.700 ( 16.893 16.422 -16.889) 28.988 5.106 ( -2.686 20.229 4.128) 20.820 5.570 ( -12.947 0.088 11.751) 17.485 6.551 ( -1.090 0.569 -0.752) 1.442 7.332 ( 3.374 -8.993 3.993) 10.402 8.505 ( -3.541 2.833 -0.474) 4.559 8.976 ( -0.918 3.605 -2.947) 4.746 9.849 ( -2.715 -1.235 -3.294) 4.444 10.373 ( 2.151 -12.888 10.021) 16.467 10.991 ( -1.511 -15.679 -2.935) 16.023 11.728 ( -0.882 -15.634 -7.860) 17.521 12.665 ( 2.262 2.319 1.626) 3.625 15.122 ( -5.282 5.552 2.296) 8.000 15.617 ( 8.001 -13.068 -0.768) 15.342 25.482 ( -0.116 -0.553 -0.397) 0.691======================= Grid point 287 (117/488) =======================q-point: (-0.13 0.20 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.393 ( -2.694 26.011 3.557) 26.391 2.461 ( 1.350 22.696 0.895) 22.754 3.651 ( -1.003 11.706 -2.062) 11.928 4.425 ( 14.117 33.235 1.012) 36.123 4.758 ( 4.339 21.486 -4.200) 22.318 5.521 ( -9.093 -5.623 1.597) 10.810 6.523 ( -1.437 1.280 -0.609) 2.018 7.527 ( 2.215 -9.251 -1.293) 9.600 8.380 ( -3.131 5.129 -3.258) 6.835 9.037 ( 2.455 -8.482 5.147) 10.221 9.862 ( 0.492 -2.129 -2.585) 3.385 10.613 ( -3.781 -15.352 8.446) 17.926 11.223 ( -2.586 -14.619 -3.111) 15.168 11.941 ( -3.430 -13.903 -8.763) 16.788 12.682 ( 2.067 -1.240 2.400) 3.401 14.938 ( -5.576 10.256 1.664) 11.792 15.910 ( 7.481 -12.331 -0.085) 14.423 25.489 ( -0.301 -0.651 -0.424) 0.833======================= Grid point 288 (118/488) =======================q-point: (-0.07 0.20 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.932 ( -4.831 25.056 6.065) 26.228 2.115 ( 9.671 24.818 1.593) 26.683 3.443 ( -1.886 10.687 -2.601) 11.159 3.970 ( 17.547 39.426 13.860) 45.326 4.451 ( 11.313 24.320 -7.133) 27.755 5.553 ( -7.300 -8.028 -7.574) 13.233 6.484 ( -0.891 1.240 -0.968) 1.808 7.613 ( -1.716 -0.777 -10.208) 10.381 8.367 ( 1.260 -6.204 2.055) 6.655 9.259 ( 3.514 -11.723 8.990) 15.185 9.923 ( 3.688 -2.961 0.267) 4.737 10.830 ( -10.450 -18.162 5.411) 21.641 11.403 ( -4.358 -11.446 -2.797) 12.563 12.100 ( -6.102 -12.515 -8.081) 16.098 12.744 ( 1.207 -3.432 2.571) 4.454 14.685 ( -3.393 14.417 1.117) 14.853 16.151 ( 3.440 -9.130 -0.548) 9.772 25.496 ( -0.457 -0.733 -0.390) 0.948======================= Grid point 293 (119/488) =======================q-point: ( 0.27 0.27 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 480Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.375 ( 16.936 0.000 8.069) 18.760 2.595 ( 22.778 0.000 3.999) 23.126 3.601 ( 11.206 0.000 -4.772) 12.180 3.766 ( 22.414 0.000 -0.860) 22.431 4.703 ( 24.034 0.000 -3.334) 24.264 5.554 ( 2.944 0.000 -1.661) 3.380 6.859 ( -7.422 -0.000 0.900) 7.476 7.745 ( 12.255 0.000 0.477) 12.264 9.079 ( 3.151 0.000 -6.602) 7.315 9.287 ( -5.548 -0.000 0.781) 5.602 10.214 ( -9.921 -0.000 23.796) 25.781 10.291 ( -12.645 -0.000 -6.694) 14.307 11.349 ( -10.548 -0.000 -0.325) 10.553 11.759 ( -17.699 -0.000 -7.895) 19.380 12.960 ( -1.672 -0.000 -0.297) 1.698 14.582 ( 6.523 0.000 10.547) 12.402 15.402 ( -12.103 -0.000 -12.043) 17.074 25.477 ( -0.958 -0.000 -0.491) 1.077======================= Grid point 294 (120/488) =======================q-point: ( 0.33 0.27 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.572 ( 16.141 -3.296 7.332) 18.032 2.832 ( 18.885 -2.642 4.399) 19.570 3.740 ( 12.209 -3.515 -2.219) 12.897 4.024 ( 13.108 -8.654 -10.476) 18.880 4.956 ( 20.153 -4.068 -2.772) 20.746 5.584 ( 7.414 2.805 3.494) 8.662 6.757 ( -9.252 2.144 5.240) 10.847 7.830 ( 11.588 4.305 0.534) 12.373 9.044 ( 5.491 5.429 -7.157) 10.528 9.308 ( -5.224 -6.387 -1.391) 8.368 10.054 ( -14.292 2.996 2.237) 14.773 10.225 ( -2.029 2.782 9.858) 10.442 11.220 ( -9.959 2.753 0.070) 10.333 11.546 ( -16.522 3.732 -6.492) 18.140 12.928 ( -0.532 1.652 -0.456) 1.795 14.680 ( 3.595 -3.448 10.238) 11.385 15.282 ( -13.198 -2.193 -10.915) 17.266 25.466 ( -0.758 0.144 -0.612) 0.984======================= Grid point 295 (121/488) =======================q-point: ( 0.40 0.27 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.836 ( 16.793 -7.303 6.943) 19.585 3.071 ( 15.406 -4.884 2.854) 16.412 3.924 ( 11.186 -3.004 -0.923) 11.619 4.270 ( 4.675 -13.167 -16.822) 21.868 5.224 ( 14.897 -7.106 -0.753) 16.522 5.614 ( 9.569 4.959 6.629) 12.653 6.634 ( -8.968 2.335 8.017) 12.254 7.840 ( 9.344 7.123 0.807) 11.777 9.037 ( 9.023 2.929 -5.600) 11.016 9.327 ( -7.971 -2.957 -5.001) 9.864 9.883 ( -3.649 5.961 -0.384) 7.000 10.168 ( -4.598 0.773 7.905) 9.178 11.070 ( -7.974 4.622 1.997) 9.431 11.288 ( -15.372 7.110 -4.905) 17.633 12.918 ( 2.674 0.323 -1.012) 2.877 14.775 ( 1.932 -2.588 7.448) 8.118 15.176 ( -15.478 -4.101 -7.420) 17.648 25.457 ( -0.432 0.140 -0.676) 0.814======================= Grid point 296 (122/488) =======================q-point: ( 0.47 0.27 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.153 ( 16.783 -8.827 5.733) 19.810 3.311 ( 13.220 -6.313 1.443) 14.721 4.016 ( 3.712 0.344 -6.370) 7.380 4.532 ( 7.442 -13.244 -12.914) 19.939 5.472 ( 7.489 -8.706 0.998) 11.527 5.619 ( 6.900 5.682 7.427) 11.622 6.536 ( -6.908 0.948 8.879) 11.290 7.783 ( 5.120 8.690 0.659) 10.108 9.075 ( 8.677 5.726 -8.847) 13.651 9.236 ( -7.836 -0.255 -1.622) 8.006 9.811 ( 4.937 3.906 4.689) 7.849 10.152 ( -4.661 -4.072 -0.445) 6.205 10.900 ( -6.939 8.278 1.930) 10.973 11.008 ( -13.289 7.286 -1.537) 15.233 12.969 ( 6.511 -0.780 -1.628) 6.757 14.807 ( 0.947 1.381 1.898) 2.531 15.105 ( -16.582 -7.940 -1.403) 18.438 25.452 ( -0.087 0.033 -0.662) 0.669======================= Grid point 297 (123/488) =======================q-point: ( 0.53 0.27 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.453 ( 13.766 -7.319 3.158) 15.907 3.540 ( 12.530 -4.861 1.332) 13.505 3.993 ( -1.120 1.601 -10.660) 10.837 4.794 ( 14.460 -5.836 -8.010) 17.530 5.580 ( 0.628 4.140 7.744) 8.804 5.656 ( -2.028 -9.204 2.156) 9.669 6.493 ( -4.182 -1.057 7.913) 9.012 7.648 ( -0.609 10.454 0.047) 10.472 8.930 ( -0.500 10.247 -8.788) 13.508 9.279 ( 3.722 -3.356 2.964) 5.823 9.839 ( 7.944 2.173 7.828) 11.363 10.202 ( -3.015 -6.265 -9.237) 11.561 10.646 ( -8.939 10.153 -2.199) 13.705 10.819 ( -7.937 3.655 5.240) 10.189 13.045 ( 8.621 1.368 -1.877) 8.928 14.778 ( -1.076 0.692 -1.683) 2.114 15.102 ( -13.364 -9.082 2.614) 16.368 25.452 ( 0.162 -0.099 -0.590) 0.620======================= Grid point 298 (124/488) =======================q-point: ( 0.60 0.27 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.624 ( 11.373 5.383 4.943) 13.519 3.725 ( 4.143 -9.284 -5.647) 11.630 3.943 ( 2.610 3.420 -8.876) 9.864 4.965 ( 19.531 5.196 -5.552) 20.960 5.531 ( -4.915 -0.467 6.972) 8.543 5.745 ( -10.327 -8.397 4.308) 13.990 6.502 ( -2.461 -2.436 5.582) 6.568 7.440 ( -3.603 10.990 0.754) 11.590 8.774 ( 0.990 7.795 -3.764) 8.713 9.366 ( 2.739 -2.350 0.781) 3.693 9.907 ( 7.650 0.765 8.904) 11.764 10.170 ( -6.306 5.060 -12.126) 14.574 10.483 ( -1.883 1.555 -2.444) 3.456 10.758 ( -5.670 -5.578 4.737) 9.258 13.064 ( 7.243 6.178 -1.570) 9.649 14.800 ( 0.191 -4.920 -1.329) 5.100 15.132 ( -9.518 -7.498 2.786) 12.432 25.456 ( 0.249 -0.204 -0.506) 0.600======================= Grid point 299 (125/488) =======================q-point: (-0.33 0.27 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.547 ( 3.273 11.140 0.766) 11.636 3.851 ( -1.099 6.151 -6.829) 9.256 3.906 ( 7.173 -2.591 -3.811) 8.526 5.003 ( 17.655 10.681 -6.280) 21.569 5.528 ( -2.981 -2.476 6.627) 7.677 5.740 ( -14.099 -4.794 6.505) 16.250 6.525 ( -2.824 -2.508 2.480) 4.518 7.257 ( -0.539 7.680 4.027) 8.689 8.668 ( 0.741 5.998 -0.406) 6.058 9.392 ( -0.067 1.610 -3.828) 4.153 9.907 ( -11.783 1.628 -6.899) 13.751 10.050 ( 11.645 4.470 8.638) 15.172 10.469 ( -1.243 -2.013 -2.679) 3.574 10.914 ( -1.563 -15.319 -1.066) 15.435 12.984 ( 3.832 9.326 -0.691) 10.106 14.944 ( 3.271 -9.932 0.049) 10.457 15.163 ( -6.163 -5.197 1.896) 8.281 25.462 ( 0.177 -0.271 -0.450) 0.554======================= Grid point 300 (126/488) =======================q-point: (-0.27 0.27 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.354 ( -0.027 13.840 0.358) 13.845 3.611 ( -1.149 18.598 -1.953) 18.736 3.995 ( 2.045 -1.444 -6.052) 6.549 4.980 ( 11.720 7.639 -10.736) 17.635 5.545 ( 2.354 1.968 6.597) 7.276 5.636 ( -13.043 2.383 9.634) 16.390 6.531 ( -3.300 -1.894 -0.110) 3.807 7.207 ( 4.983 1.924 7.397) 9.124 8.584 ( -0.263 4.323 1.266) 4.512 9.272 ( -4.040 9.005 -8.310) 12.902 9.768 ( -11.202 -1.918 -6.600) 13.143 10.166 ( 12.347 -0.314 12.045) 17.252 10.541 ( -1.786 -9.124 -3.270) 9.856 11.177 ( -0.731 -17.107 -4.745) 17.768 12.854 ( 1.274 8.629 0.586) 8.742 15.142 ( -2.814 -6.775 -0.628) 7.363 15.213 ( 4.026 -7.854 2.958) 9.308 25.467 ( -0.000 -0.324 -0.438) 0.545======================= Grid point 301 (127/488) =======================q-point: (-0.20 0.27 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.085 ( -4.791 16.524 2.859) 17.440 3.247 ( 0.639 22.816 -2.598) 22.972 3.965 ( 0.041 5.437 -4.537) 7.081 4.961 ( 6.337 3.353 -17.403) 18.822 5.423 ( -2.993 14.441 11.495) 18.699 5.519 ( 0.712 4.916 8.523) 9.865 6.529 ( -2.103 -1.247 -1.026) 2.651 7.296 ( 7.774 -2.927 7.743) 11.356 8.522 ( -1.216 2.857 0.667) 3.176 9.052 ( -4.372 8.604 -7.069) 11.964 9.721 ( -8.939 -5.158 -5.667) 11.774 10.320 ( 9.170 -2.980 11.409) 14.937 10.715 ( -2.195 -14.156 -3.768) 14.813 11.435 ( -2.264 -16.351 -7.331) 18.062 12.745 ( 0.317 5.268 1.970) 5.633 15.124 ( -4.858 1.131 -0.816) 5.054 15.476 ( 6.913 -12.906 3.504) 15.055 25.471 ( -0.213 -0.395 -0.456) 0.640======================= Grid point 302 (128/488) =======================q-point: (-0.13 0.27 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.701 ( -10.205 20.256 4.378) 23.100 2.908 ( 8.031 22.915 -2.551) 24.415 3.813 ( -2.478 10.159 -3.199) 10.935 4.925 ( 6.233 7.227 -19.419) 21.637 5.144 ( 4.346 20.460 10.858) 23.567 5.436 ( 0.350 6.339 8.520) 10.626 6.520 ( -1.435 0.228 -1.257) 1.921 7.454 ( 7.052 -5.168 4.215) 9.706 8.435 ( -2.397 5.369 -3.782) 6.991 8.964 ( 0.297 -2.367 1.844) 3.015 9.740 ( -6.709 -7.493 -6.024) 11.724 10.466 ( 4.122 -4.426 10.297) 11.942 10.935 ( -3.232 -15.565 -3.596) 16.299 11.647 ( -4.799 -14.767 -9.144) 18.020 12.697 ( 0.126 1.230 3.123) 3.359 15.017 ( -4.700 5.710 -1.045) 7.469 15.762 ( 5.171 -13.072 4.033) 14.624 25.475 ( -0.406 -0.501 -0.471) 0.798======================= Grid point 303 (129/488) =======================q-point: (-0.07 0.27 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.268 ( -6.536 21.303 4.757) 22.785 2.625 ( 12.049 22.949 -0.726) 25.930 3.598 ( -2.676 11.104 -2.610) 11.717 4.726 ( 13.417 26.307 4.981) 29.948 4.910 ( 10.535 17.785 -9.990) 22.958 5.376 ( -3.998 -1.123 3.121) 5.194 6.491 ( -1.210 1.088 -1.520) 2.227 7.579 ( 3.208 -2.365 -2.932) 4.948 8.346 ( 0.984 1.614 -2.946) 3.501 9.113 ( 3.178 -10.689 9.007) 14.334 9.818 ( -4.078 -9.323 -6.045) 11.836 10.573 ( -2.172 -5.737 8.562) 10.533 11.139 ( -5.105 -14.044 -2.975) 15.237 11.804 ( -7.578 -13.175 -9.604) 17.979 12.708 ( -0.202 -1.804 3.582) 4.015 14.847 ( -3.138 9.347 -0.951) 9.906 16.004 ( 0.942 -10.976 3.877) 11.679 25.479 ( -0.553 -0.626 -0.451) 0.949======================= Grid point 309 (130/488) =======================q-point: ( 0.33 0.33 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 480Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.686 ( 12.081 0.000 6.056) 13.514 2.995 ( 16.012 0.000 5.787) 17.025 3.806 ( 10.269 0.000 -4.376) 11.162 4.068 ( 9.333 0.000 -10.293) 13.895 5.112 ( 18.289 0.000 -4.806) 18.910 5.709 ( 10.646 0.000 7.001) 12.742 6.672 ( -12.185 -0.000 8.774) 15.016 7.989 ( 11.679 0.000 -0.050) 11.679 9.151 ( 6.212 0.000 -15.004) 16.239 9.180 ( -5.373 -0.000 1.848) 5.682 9.970 ( -7.384 -0.000 4.650) 8.727 10.242 ( -2.883 -0.000 7.323) 7.871 11.138 ( -10.063 -0.000 -0.986) 10.111 11.409 ( -15.258 -0.000 -4.724) 15.973 12.928 ( -1.452 -0.000 -0.124) 1.457 14.679 ( -0.548 -0.000 12.540) 12.552 15.141 ( -9.198 -0.000 -12.991) 15.918 25.460 ( -0.609 -0.000 -0.712) 0.937======================= Grid point 310 (131/488) =======================q-point: ( 0.40 0.33 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.858 ( 10.593 -6.469 5.430) 13.548 3.162 ( 12.762 -1.895 4.860) 13.787 3.960 ( 10.240 -5.902 -2.048) 11.995 4.139 ( 2.740 -3.611 -13.292) 14.044 5.295 ( 14.952 -2.379 -4.500) 15.795 5.802 ( 10.820 3.378 8.164) 13.969 6.555 ( -12.510 0.297 10.813) 16.538 8.053 ( 10.158 5.500 -0.094) 11.552 9.125 ( 1.193 0.365 -0.776) 1.469 9.214 ( 0.289 -2.056 -15.116) 15.258 9.926 ( 0.521 1.831 3.562) 4.039 10.179 ( -4.770 3.612 6.379) 8.746 11.034 ( -8.390 1.018 -0.225) 8.454 11.228 ( -13.749 3.850 -2.881) 14.565 12.923 ( 0.123 -1.030 -0.339) 1.091 14.708 ( -5.099 -4.819 11.223) 13.236 15.038 ( -5.949 1.809 -11.181) 12.794 25.453 ( -0.340 0.031 -0.758) 0.831======================= Grid point 311 (132/488) =======================q-point: ( 0.47 0.33 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.120 ( 9.848 -11.114 3.907) 15.355 3.334 ( 9.626 -5.082 3.648) 11.480 4.066 ( 3.417 2.117 -6.265) 7.444 4.325 ( 5.921 -16.282 -7.869) 19.028 5.461 ( 9.389 -3.069 -3.576) 10.506 5.823 ( 7.998 6.970 7.525) 13.007 6.455 ( -10.924 -0.884 11.137) 15.626 8.011 ( 7.111 9.960 0.091) 12.238 9.138 ( -6.629 -1.780 -1.121) 6.954 9.215 ( 8.816 1.968 -14.657) 17.217 9.923 ( 5.555 2.927 2.744) 6.852 10.084 ( -4.896 1.270 4.595) 6.834 10.929 ( -6.998 3.438 0.334) 7.804 11.002 ( -11.425 6.880 -0.622) 13.351 12.979 ( 3.516 -3.688 -0.990) 5.190 14.762 ( -9.013 -8.431 7.875) 14.640 14.925 ( -3.040 4.793 -7.234) 9.194 25.450 ( -0.040 -0.024 -0.728) 0.730======================= Grid point 312 (133/488) =======================q-point: ( 0.53 0.33 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.384 ( 6.037 -9.567 -1.775) 11.451 3.558 ( 8.884 -10.114 6.491) 14.945 4.018 ( 0.487 3.689 -8.656) 9.422 4.686 ( 9.029 -17.777 -3.985) 20.333 5.561 ( 1.896 -2.309 -2.027) 3.610 5.748 ( 3.627 9.947 6.477) 12.412 6.404 ( -8.409 -2.938 9.601) 13.097 7.865 ( 2.810 13.325 0.207) 13.620 9.034 ( -3.562 5.056 -11.154) 12.754 9.289 ( 6.419 -0.758 0.691) 6.501 9.940 ( 4.443 1.582 1.443) 4.932 10.087 ( -0.112 -4.343 0.286) 4.354 10.714 ( -9.319 9.877 -2.255) 13.765 10.840 ( -5.295 4.935 3.845) 8.196 13.097 ( 6.126 -3.955 -1.526) 7.450 14.788 ( -10.553 -2.853 -6.577) 12.758 14.851 ( -0.342 -2.065 7.956) 8.227 25.451 ( 0.182 -0.102 -0.642) 0.675======================= Grid point 313 (134/488) =======================q-point: ( 0.60 0.33 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.563 ( 0.712 -9.301 -6.570) 11.409 3.781 ( 5.386 -1.994 6.590) 8.742 3.976 ( 3.336 -0.701 -6.750) 7.562 5.054 ( 11.963 -13.512 -2.974) 18.291 5.563 ( -6.644 0.138 0.348) 6.654 5.603 ( -0.171 8.526 6.126) 10.500 6.406 ( -6.236 -4.412 6.310) 9.908 7.644 ( 0.499 14.385 1.323) 14.454 8.904 ( 0.768 7.022 -7.842) 10.555 9.346 ( 0.968 -1.512 2.623) 3.179 9.940 ( -1.769 1.242 -1.729) 2.768 10.209 ( 7.107 -4.610 -3.693) 9.242 10.488 ( -4.673 6.398 -0.354) 7.931 10.710 ( -4.850 4.690 4.525) 8.124 13.188 ( 5.199 0.767 -1.599) 5.493 14.742 ( -2.041 -2.185 -2.909) 4.171 14.924 ( -4.099 -7.174 5.147) 9.734 25.455 ( 0.256 -0.153 -0.541) 0.618======================= Grid point 314 (135/488) =======================q-point: (-0.33 0.33 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.686 ( -3.807 -7.192 -11.148) 13.802 3.733 ( -0.220 6.545 2.043) 6.860 4.059 ( 5.861 0.489 0.579) 5.910 5.288 ( 9.065 4.806 -5.314) 11.555 5.455 ( -2.764 -2.238 4.912) 6.065 5.552 ( -6.138 -3.760 6.456) 9.670 6.428 ( -5.449 -4.241 2.431) 7.320 7.442 ( 3.162 11.452 4.498) 12.704 8.790 ( 1.475 7.370 -3.038) 8.107 9.369 ( -2.372 -1.767 -1.091) 3.153 9.825 ( -10.601 4.074 -7.458) 13.587 10.283 ( 13.068 6.602 4.890) 15.436 10.458 ( 0.230 -0.774 -4.601) 4.671 10.669 ( -4.091 -8.430 3.357) 9.953 13.152 ( 1.298 7.030 -1.002) 7.218 14.831 ( 3.065 -7.600 1.022) 8.258 15.012 ( -2.646 -6.816 1.776) 7.524 25.459 ( 0.180 -0.165 -0.464) 0.524======================= Grid point 315 (136/488) =======================q-point: (-0.27 0.33 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.546 ( -4.375 11.150 1.613) 12.086 3.714 ( -6.610 -0.361 -10.570) 12.472 4.059 ( 5.544 4.683 -0.294) 7.263 5.128 ( -8.397 7.423 -3.161) 11.644 5.503 ( -0.421 -1.298 4.966) 5.150 5.661 ( 8.162 -3.472 5.507) 10.440 6.443 ( -4.562 -3.630 -0.123) 5.831 7.359 ( 7.999 6.324 7.756) 12.812 8.680 ( 0.530 6.698 0.340) 6.728 9.324 ( -4.995 3.580 -6.535) 8.970 9.634 ( -11.837 1.943 -7.087) 13.933 10.334 ( 10.761 2.542 7.615) 13.426 10.447 ( 1.957 0.329 -1.886) 2.738 10.878 ( -1.622 -16.520 -2.945) 16.859 13.006 ( -1.635 9.214 0.228) 9.361 15.011 ( 1.682 -7.822 3.046) 8.561 15.117 ( 2.469 -7.722 -0.252) 8.111 25.462 ( 0.006 -0.164 -0.427) 0.457======================= Grid point 316 (137/488) =======================q-point: (-0.20 0.33 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.262 ( -11.491 13.763 3.491) 18.266 3.558 ( 1.084 12.542 -7.867) 14.845 4.032 ( 1.693 3.688 -4.380) 5.971 4.931 ( -13.466 1.369 -4.637) 14.308 5.507 ( 1.164 2.693 6.295) 6.945 5.764 ( 13.097 5.278 5.046) 14.995 6.466 ( -2.291 -3.369 -0.760) 4.145 7.399 ( 10.547 2.069 8.600) 13.765 8.586 ( 0.168 5.127 1.520) 5.350 9.136 ( -6.404 8.859 -8.049) 13.575 9.535 ( -10.325 -3.629 -5.569) 12.280 10.430 ( 8.265 -0.867 9.081) 12.310 10.508 ( 2.258 -5.408 -3.210) 6.682 11.127 ( -2.751 -16.280 -5.978) 17.560 12.844 ( -2.434 7.330 1.585) 7.884 15.078 ( -2.072 -1.734 -1.083) 2.911 15.341 ( 6.066 -11.654 3.708) 13.651 25.464 ( -0.196 -0.188 -0.421) 0.501======================= Grid point 317 (138/488) =======================q-point: (-0.13 0.33 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.890 ( -13.025 15.828 3.402) 20.779 3.335 ( 8.160 18.355 -5.122) 20.730 3.928 ( -2.640 7.566 -4.318) 9.103 4.824 ( -12.607 -5.375 -9.902) 16.908 5.444 ( 4.206 9.423 8.311) 13.250 5.756 ( 14.506 13.160 4.971) 20.207 6.495 ( -0.827 -1.695 -1.013) 2.141 7.503 ( 9.770 -0.496 6.244) 11.605 8.506 ( -0.116 5.241 -0.948) 5.328 8.964 ( -2.437 3.278 -1.458) 4.337 9.515 ( -9.715 -7.062 -6.064) 13.454 10.529 ( 8.053 0.988 10.650) 13.388 10.656 ( -2.037 -12.477 -5.202) 13.670 11.337 ( -5.231 -14.831 -8.122) 17.700 12.732 ( -1.991 3.592 2.661) 4.893 15.044 ( -2.599 2.571 -2.644) 4.512 15.600 ( 3.960 -12.318 5.267) 13.970 25.464 ( -0.365 -0.263 -0.428) 0.621======================= Grid point 318 (139/488) =======================q-point: (-0.07 0.33 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.517 ( -7.640 16.309 3.475) 18.342 3.106 ( 11.978 20.459 -3.246) 23.929 3.742 ( -2.706 9.700 -2.700) 10.426 4.812 ( -9.015 -7.438 -16.709) 20.391 5.310 ( 8.313 15.275 10.596) 20.365 5.637 ( 13.738 18.512 5.581) 23.719 6.493 ( -0.878 0.647 -1.407) 1.780 7.602 ( 6.153 -0.463 0.697) 6.210 8.414 ( 1.790 5.002 -3.172) 6.187 9.007 ( 2.657 -6.798 7.835) 10.708 9.560 ( -9.062 -10.710 -7.064) 15.708 10.580 ( 4.295 2.018 8.792) 9.991 10.842 ( -5.033 -14.176 -3.603) 15.468 11.492 ( -8.031 -13.225 -9.227) 18.014 12.691 ( -1.285 0.073 3.110) 3.366 14.942 ( -2.173 5.934 -2.834) 6.925 15.828 ( -0.015 -11.218 5.572) 12.525 25.464 ( -0.478 -0.385 -0.430) 0.750======================= Grid point 325 (140/488) =======================q-point: ( 0.40 0.40 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 480Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.889 ( 6.737 0.000 4.604) 8.160 3.269 ( 9.721 0.000 4.914) 10.892 3.977 ( 7.683 0.000 -3.841) 8.589 4.130 ( 1.554 0.000 -9.681) 9.805 5.413 ( 12.805 0.000 -5.321) 13.867 5.945 ( 9.120 0.000 8.551) 12.502 6.443 ( -12.829 -0.000 11.836) 17.455 8.197 ( 8.809 0.000 -0.735) 8.840 9.089 ( -4.217 -0.000 2.884) 5.109 9.226 ( 6.269 0.000 -21.551) 22.444 9.979 ( 5.711 0.000 4.737) 7.420 10.170 ( -5.839 -0.000 5.640) 8.118 10.954 ( -7.596 -0.000 -1.603) 7.764 11.132 ( -11.449 -0.000 -0.735) 11.472 12.904 ( -0.893 -0.000 0.082) 0.897 14.598 ( -9.509 -0.000 6.452) 11.492 15.028 ( 0.700 0.000 -6.138) 6.178 25.450 ( -0.139 -0.000 -0.779) 0.791======================= Grid point 326 (141/488) =======================q-point: ( 0.47 0.40 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.022 ( 4.538 -8.489 3.731) 10.324 3.362 ( 5.570 -1.458 3.071) 6.526 4.118 ( 0.819 1.461 -8.276) 8.444 4.137 ( 6.925 -10.906 -2.167) 13.099 5.520 ( 8.387 -0.641 -5.105) 9.839 5.997 ( 5.442 4.016 7.690) 10.241 6.342 ( -11.103 -0.687 11.350) 15.893 8.219 ( 6.107 6.330 -0.829) 8.835 9.062 ( -4.009 -0.707 1.002) 4.192 9.273 ( 7.280 -1.406 -20.424) 21.728 10.019 ( 1.640 2.570 -2.518) 3.954 10.101 ( -0.165 2.932 12.596) 12.934 10.888 ( -5.803 0.171 -1.490) 5.993 10.996 ( -8.565 4.039 0.557) 9.486 12.930 ( 0.605 -3.824 -0.099) 3.873 14.545 ( -10.346 -4.778 1.982) 11.567 15.011 ( 3.126 3.915 -1.187) 5.149 25.449 ( 0.101 -0.035 -0.724) 0.732======================= Grid point 327 (142/488) =======================q-point: ( 0.53 0.40 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.244 ( 2.001 -12.154 0.126) 12.318 3.458 ( 1.214 -6.712 3.343) 7.596 4.080 ( 1.677 3.150 -7.057) 7.909 4.451 ( 6.736 -17.934 -0.234) 19.159 5.576 ( 3.062 0.360 -4.692) 5.614 5.939 ( 1.247 7.951 6.254) 10.193 6.281 ( -8.735 -2.298 9.791) 13.321 8.108 ( 2.371 11.759 -0.693) 12.015 9.024 ( -2.763 0.637 -5.650) 6.322 9.351 ( 6.830 -0.804 -11.217) 13.158 9.948 ( -3.853 0.186 -4.047) 5.591 10.112 ( 4.699 3.057 12.334) 13.549 10.782 ( -4.690 6.457 -2.070) 8.245 10.869 ( -3.366 3.625 1.946) 5.316 13.042 ( 2.562 -7.092 -0.492) 7.557 14.549 ( -9.229 -7.336 -2.065) 11.969 14.963 ( 4.363 6.076 3.479) 8.250 25.451 ( 0.280 -0.082 -0.612) 0.678======================= Grid point 328 (143/488) =======================q-point: (-0.40 -0.60 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.402 ( -2.476 -8.090 -6.913) 10.926 3.647 ( -2.642 -13.991 7.421) 16.056 4.037 ( 3.589 3.657 -6.037) 7.918 4.840 ( 6.244 -20.148 1.088) 21.122 5.546 ( -2.431 3.104 -3.482) 5.260 5.789 ( -1.322 10.282 5.016) 11.516 6.272 ( -6.380 -4.243 6.568) 10.092 7.894 ( -0.062 14.278 0.189) 14.279 8.978 ( 0.788 2.408 -9.302) 9.641 9.368 ( 0.950 2.442 -0.832) 2.749 9.938 ( -1.722 0.191 -6.413) 6.643 10.136 ( -0.060 -4.232 7.450) 8.568 10.630 ( 2.637 9.277 -0.872) 9.684 10.775 ( -1.327 5.608 2.530) 6.294 13.179 ( 1.670 -5.504 -0.654) 5.789 14.599 ( -4.831 -8.075 -4.490) 10.426 14.927 ( 4.803 3.960 6.586) 9.063 25.455 ( 0.334 -0.096 -0.486) 0.597======================= Grid point 329 (144/488) =======================q-point: (-0.33 -0.60 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.485 ( -5.295 -8.476 -10.154) 14.247 3.758 ( -9.194 -2.786 6.101) 11.381 4.061 ( 5.348 -2.716 -3.109) 6.756 5.192 ( -1.698 -13.875 -0.044) 13.979 5.443 ( -1.157 2.036 0.901) 2.509 5.623 ( 0.230 8.343 3.709) 9.134 6.301 ( -4.741 -4.705 2.312) 7.068 7.675 ( 1.563 12.033 2.818) 12.457 8.921 ( 2.915 5.891 -7.752) 10.163 9.319 ( -4.143 0.608 1.540) 4.461 9.819 ( -6.914 6.758 -4.759) 10.776 10.306 ( 0.523 -13.277 -1.729) 13.400 10.529 ( 6.603 8.540 -0.341) 10.800 10.678 ( 3.231 6.911 5.336) 9.310 13.215 ( -2.394 1.083 -0.518) 2.678 14.723 ( 2.167 -9.235 -2.345) 9.772 14.952 ( 4.113 -0.473 4.972) 6.470 25.459 ( 0.255 -0.063 -0.383) 0.465======================= Grid point 330 (145/488) =======================q-point: (-0.27 -0.60 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.548 ( -8.087 -6.595 -10.087) 14.513 3.617 ( -11.166 4.578 2.164) 12.260 4.149 ( 4.048 -0.554 -0.695) 4.144 5.078 ( -17.854 5.658 -1.866) 18.822 5.547 ( 1.913 2.354 3.901) 4.941 5.648 ( 11.122 -10.286 4.321) 15.753 6.334 ( -3.343 -4.179 -0.536) 5.378 7.558 ( 5.716 7.009 5.719) 10.701 8.817 ( 2.082 8.320 -2.509) 8.936 9.276 ( -6.058 -0.957 -2.816) 6.749 9.604 ( -8.676 7.854 -5.002) 12.727 10.410 ( -0.370 2.495 -4.855) 5.471 10.590 ( 6.179 -9.911 -1.686) 11.801 10.647 ( 7.450 4.098 8.043) 11.704 13.106 ( -5.327 6.432 0.172) 8.354 14.921 ( 4.679 -8.477 4.016) 10.482 15.035 ( 4.579 -4.572 -1.587) 6.662 25.461 ( 0.093 -0.012 -0.319) 0.333======================= Grid point 331 (146/488) =======================q-point: (-0.20 0.40 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.313 ( -17.810 9.268 3.502) 20.380 3.611 ( -1.889 -3.520 -12.263) 12.897 4.146 ( 4.326 5.604 -1.920) 7.335 4.789 ( -20.639 4.161 -0.499) 21.060 5.562 ( 2.925 0.079 2.618) 3.926 5.901 ( 11.426 -4.821 5.959) 13.759 6.381 ( -1.079 -4.367 -0.821) 4.573 7.559 ( 8.471 3.138 6.446) 11.098 8.699 ( 1.297 7.382 1.373) 7.620 9.179 ( -7.021 4.750 -6.497) 10.681 9.417 ( -7.841 2.764 -3.368) 8.970 10.379 ( -0.173 -1.160 -4.146) 4.308 10.674 ( 13.005 5.769 7.674) 16.165 10.835 ( -1.210 -14.846 -4.236) 15.486 12.930 ( -5.596 7.304 1.118) 9.269 15.038 ( 1.178 -2.338 1.974) 3.279 15.224 ( 6.602 -10.015 -0.223) 11.998 25.460 ( -0.082 0.018 -0.289) 0.301======================= Grid point 332 (147/488) =======================q-point: (-0.13 0.40 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.972 ( -16.121 10.972 2.898) 19.715 3.599 ( 3.891 4.496 -10.571) 12.128 4.041 ( 1.199 9.863 -3.712) 10.606 4.574 ( -18.908 -3.454 -2.448) 19.376 5.586 ( 3.546 2.007 3.986) 5.701 6.040 ( 11.755 3.276 6.211) 13.693 6.448 ( 0.520 -3.586 -0.388) 3.644 7.617 ( 7.999 1.335 4.366) 9.210 8.608 ( 1.697 5.908 2.189) 6.525 9.007 ( -4.428 5.732 -2.872) 7.792 9.336 ( -7.576 -2.083 -3.542) 8.619 10.442 ( -0.914 -7.237 -2.989) 7.883 10.716 ( 10.866 5.121 5.976) 13.417 11.040 ( -3.894 -13.627 -6.081) 15.422 12.777 ( -4.340 4.991 1.809) 6.857 15.054 ( -0.067 0.939 -2.316) 2.500 15.454 ( 3.981 -10.560 3.577) 11.839 25.458 ( -0.213 -0.006 -0.286) 0.357======================= Grid point 333 (148/488) =======================q-point: (-0.07 0.40 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.662 ( -9.164 10.740 2.456) 14.330 3.508 ( 10.307 13.441 -7.917) 18.697 3.861 ( -2.285 9.106 -2.381) 9.686 4.518 ( -14.120 -9.744 -9.745) 19.730 5.567 ( 5.154 6.346 6.565) 10.484 6.042 ( 11.667 11.513 6.362) 17.582 6.490 ( 0.296 -0.650 -0.553) 0.904 7.669 ( 4.914 0.884 -0.076) 4.994 8.530 ( 2.932 6.108 -0.120) 6.776 8.961 ( 1.288 -2.554 6.247) 6.870 9.319 ( -7.640 -5.744 -4.336) 10.496 10.571 ( -3.172 -10.365 -0.555) 10.854 10.727 ( 7.182 5.255 2.947) 9.374 11.191 ( -6.890 -12.122 -7.132) 15.662 12.690 ( -2.586 1.594 2.005) 3.640 15.003 ( -0.645 3.972 -3.971) 5.653 15.655 ( 0.089 -10.182 5.167) 11.418 25.456 ( -0.281 -0.091 -0.304) 0.424======================= Grid point 341 (149/488) =======================q-point: ( 0.47 0.47 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 480Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.979 ( 1.165 0.000 3.399) 3.593 3.385 ( 0.307 0.000 1.134) 1.175 4.083 ( 3.720 0.000 -3.080) 4.829 4.155 ( 4.433 0.000 -3.589) 5.704 5.574 ( 4.236 0.000 -5.128) 6.651 6.074 ( 0.866 0.000 7.584) 7.633 6.253 ( -8.447 -0.000 9.551) 12.750 8.321 ( 3.411 0.000 -1.254) 3.634 9.034 ( -1.874 -0.000 3.534) 4.000 9.287 ( 5.792 0.000 -24.079) 24.766 9.999 ( -7.304 -0.000 -3.531) 8.112 10.202 ( 8.066 0.000 14.893) 16.937 10.839 ( -3.090 -0.000 -2.150) 3.765 10.962 ( -4.886 -0.000 0.880) 4.965 12.894 ( -0.105 -0.000 0.336) 0.352 14.415 ( -7.932 -0.000 -0.537) 7.950 15.087 ( 4.850 0.000 1.664) 5.127 25.450 ( 0.282 0.000 -0.643) 0.702======================= Grid point 342 (150/488) =======================q-point: (-0.47 -0.53 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.059 ( -1.616 -8.966 2.166) 9.364 3.375 ( -4.677 -1.990 -0.647) 5.124 4.120 ( 1.450 -0.020 -5.222) 5.420 4.281 ( 7.552 -9.373 2.108) 12.221 5.588 ( -0.254 -0.192 -5.453) 5.462 6.034 ( -3.994 3.856 6.644) 8.659 6.198 ( -5.502 -0.417 7.636) 9.420 8.277 ( -0.299 6.937 -1.354) 7.074 9.016 ( -0.424 1.115 -0.319) 1.235 9.344 ( 4.637 -3.790 -20.393) 21.254 9.900 ( -7.474 1.164 -2.045) 7.836 10.255 ( 5.009 4.731 14.806) 16.331 10.813 ( -0.490 1.163 -2.439) 2.746 10.915 ( 1.153 2.980 0.913) 3.323 12.944 ( 0.652 -5.501 0.357) 5.551 14.380 ( -5.214 -3.812 -2.656) 6.983 15.109 ( 5.813 4.101 4.218) 8.271 25.453 ( 0.422 -0.037 -0.507) 0.661======================= Grid point 343 (151/488) =======================q-point: (-0.40 -0.53 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.207 ( -4.965 -10.607 -3.308) 12.170 3.389 ( -8.556 -8.933 2.314) 12.584 4.112 ( 2.103 1.957 -4.816) 5.608 4.583 ( 6.213 -16.862 3.930) 18.395 5.553 ( -3.859 1.291 -6.071) 7.308 5.895 ( -7.253 6.465 5.570) 11.199 6.180 ( -3.034 -1.660 5.452) 6.456 8.094 ( -3.433 11.629 -1.190) 12.184 9.000 ( 1.677 0.805 -6.225) 6.497 9.396 ( 0.043 -0.234 -10.713) 10.716 9.860 ( -3.130 -4.332 -4.233) 6.818 10.181 ( -1.350 7.712 13.462) 15.573 10.776 ( 2.592 4.422 -2.653) 5.772 10.893 ( 7.252 5.166 2.411) 9.225 13.067 ( -0.242 -7.682 0.470) 7.701 14.431 ( -1.357 -7.083 -4.379) 8.437 15.089 ( 6.674 6.226 6.204) 11.036 25.457 ( 0.457 -0.032 -0.360) 0.583======================= Grid point 344 (152/488) =======================q-point: (-0.33 -0.53 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.274 ( -7.524 -7.654 -9.212) 14.144 3.491 ( -14.322 -12.914 6.274) 20.280 4.098 ( 2.637 0.983 -4.015) 4.902 4.927 ( 1.512 -16.606 2.744) 16.899 5.458 ( -4.851 2.355 -3.405) 6.378 5.721 ( -6.516 5.920 4.335) 9.813 6.206 ( -1.078 -2.939 1.849) 3.636 7.860 ( -3.445 10.979 0.380) 11.513 9.001 ( 3.586 1.388 -10.234) 10.933 9.319 ( -5.325 3.993 -0.894) 6.715 9.883 ( -1.677 4.298 -4.807) 6.663 10.114 ( -2.327 -5.687 6.812) 9.174 10.701 ( 2.940 7.384 -2.697) 8.393 10.895 ( 12.519 7.132 4.771) 15.177 13.151 ( -4.091 -3.998 0.610) 5.753 14.581 ( 3.656 -10.166 -4.249) 11.609 15.068 ( 7.222 5.306 6.114) 10.848 25.461 ( 0.380 0.027 -0.238) 0.449======================= Grid point 345 (153/488) =======================q-point: (-0.27 -0.53 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.319 ( -8.384 -8.790 -10.689) 16.181 3.467 ( -20.252 -4.142 5.655) 21.431 4.141 ( 2.206 -3.269 -2.422) 4.628 4.990 ( -13.251 2.864 -5.544) 14.647 5.532 ( 4.837 -10.858 9.134) 14.991 5.609 ( -2.543 1.174 0.600) 2.864 6.251 ( -0.105 -3.075 -1.330) 3.352 7.698 ( -0.456 5.925 2.796) 6.567 8.968 ( 3.536 6.125 -9.426) 11.784 9.204 ( -7.135 1.155 1.168) 7.322 9.701 ( -3.066 11.270 -0.202) 11.681 10.279 ( -1.825 -12.192 -2.860) 12.655 10.602 ( 3.881 6.948 -1.273) 8.059 10.917 ( 15.046 7.778 5.954) 17.954 13.109 ( -7.359 1.861 0.743) 7.627 14.811 ( 5.987 -11.086 -0.437) 12.606 15.082 ( 7.408 2.322 1.883) 7.989 25.463 ( 0.234 0.114 -0.154) 0.303======================= Grid point 346 (154/488) =======================q-point: (-0.20 -0.53 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.220 ( -21.778 2.928 3.278) 22.217 3.425 ( -7.198 -10.183 -10.653) 16.401 4.207 ( 0.229 -2.603 -0.767) 2.723 4.711 ( -15.754 9.603 -5.807) 19.342 5.568 ( -1.110 -0.780 1.927) 2.357 5.848 ( 6.711 -13.350 8.552) 17.217 6.308 ( 0.983 -3.785 -1.768) 4.292 7.658 ( 2.442 1.262 3.390) 4.365 8.851 ( 1.102 8.564 -1.957) 8.854 9.134 ( -6.435 0.216 -4.312) 7.749 9.488 ( -1.571 10.919 1.417) 11.122 10.375 ( -1.404 -1.546 -6.882) 7.192 10.622 ( 2.903 -5.964 0.720) 6.672 10.950 ( 15.253 7.520 5.622) 17.912 12.969 ( -7.775 5.181 1.021) 9.399 15.010 ( 2.347 -5.292 6.521) 8.720 15.167 ( 8.941 -4.256 -6.078) 11.618 25.462 ( 0.087 0.188 -0.105) 0.232======================= Grid point 347 (155/488) =======================q-point: (-0.13 -0.53 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.937 ( -19.315 5.514 3.144) 20.331 3.525 ( -3.346 -9.462 -12.754) 16.229 4.220 ( 0.771 1.444 -1.586) 2.279 4.384 ( -15.775 8.988 -4.108) 18.615 5.597 ( -0.197 -2.791 1.802) 3.328 6.105 ( 6.441 -7.559 9.127) 13.488 6.392 ( 1.981 -4.379 -0.577) 4.841 7.685 ( 2.481 -0.281 1.037) 2.704 8.733 ( 0.921 6.462 2.879) 7.134 9.029 ( -5.970 3.545 -5.143) 8.640 9.335 ( 0.531 7.105 3.039) 7.746 10.373 ( 0.678 -1.194 -5.404) 5.575 10.770 ( -0.900 -8.778 -1.729) 8.992 10.983 ( 13.138 6.377 4.230) 15.204 12.810 ( -6.279 5.036 1.147) 8.130 15.067 ( 0.935 -0.215 1.455) 1.743 15.349 ( 5.805 -7.684 -1.940) 9.824 25.459 ( -0.008 0.212 -0.087) 0.229======================= Grid point 348 (156/488) =======================q-point: (-0.07 -0.53 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.694 ( -11.148 4.904 2.082) 12.356 3.627 ( 2.183 -5.322 -12.691) 13.934 4.063 ( -0.868 15.187 -4.540) 15.875 4.224 ( -11.852 -6.239 -3.209) 13.773 5.645 ( 1.091 -1.460 3.927) 4.329 6.240 ( 5.843 0.352 8.513) 10.332 6.473 ( 1.714 -2.577 0.375) 3.118 7.701 ( -0.042 -0.151 -3.080) 3.084 8.657 ( 1.603 5.349 3.304) 6.488 8.943 ( -1.829 -0.235 0.848) 2.030 9.260 ( 1.165 3.674 3.533) 5.229 10.422 ( -0.313 -4.866 -3.767) 6.162 10.855 ( -0.794 -2.159 -2.961) 3.749 11.019 ( 6.164 1.127 1.756) 6.507 12.695 ( -3.957 2.590 0.958) 4.825 15.053 ( 0.575 2.557 -3.102) 4.061 15.515 ( 1.248 -7.871 2.273) 8.287 25.455 ( -0.036 0.175 -0.108) 0.209======================= Grid point 357 (157/488) =======================q-point: (-0.47 -0.47 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 480Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.954 ( -4.463 -0.000 2.286) 5.014 3.286 ( -9.174 -0.000 -2.973) 9.644 4.104 ( -0.948 -0.000 -2.135) 2.336 4.307 ( 10.092 0.000 2.425) 10.379 5.553 ( -4.242 -0.000 -6.267) 7.568 6.006 ( -9.556 -0.000 6.484) 11.548 6.169 ( -2.010 -0.000 5.135) 5.514 8.315 ( -3.691 -0.000 -1.456) 3.967 9.041 ( 1.623 0.000 3.784) 4.118 9.301 ( 1.623 0.000 -25.840) 25.891 9.826 ( -8.415 -0.000 -0.984) 8.472 10.363 ( 2.538 0.000 15.354) 15.562 10.826 ( 2.370 0.000 -2.715) 3.604 10.987 ( 7.929 0.000 0.692) 7.959 12.902 ( 0.730 0.000 0.636) 0.968 14.309 ( -1.984 -0.000 -3.486) 4.011 15.213 ( 6.614 0.000 5.457) 8.575 25.457 ( 0.537 0.000 -0.356) 0.645======================= Grid point 358 (158/488) =======================q-point: (-0.40 -0.47 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.971 ( -7.520 -8.377 0.940) 11.296 3.195 ( -11.945 -2.752 -3.454) 12.735 4.103 ( -2.758 -1.843 -2.775) 4.324 4.468 ( 9.539 -6.826 5.111) 12.795 5.491 ( -7.213 -0.441 -8.147) 10.890 5.873 ( -13.436 2.594 6.147) 15.001 6.168 ( 0.991 0.132 3.254) 3.404 8.198 ( -6.834 6.995 -1.627) 9.914 9.041 ( 2.856 2.326 -2.248) 4.315 9.320 ( -1.953 -4.617 -19.093) 19.740 9.758 ( -6.032 -1.944 -0.744) 6.381 10.332 ( -0.001 7.179 14.056) 15.783 10.848 ( 4.383 1.433 -2.960) 5.480 11.071 ( 13.155 2.978 1.950) 13.628 12.956 ( 0.347 -4.946 0.889) 5.038 14.331 ( 1.063 -4.053 -4.410) 6.084 15.257 ( 7.279 3.975 6.549) 10.568 25.462 ( 0.569 0.012 -0.202) 0.604======================= Grid point 359 (159/488) =======================q-point: (-0.33 -0.47 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.041 ( -10.333 -9.391 -4.561) 14.689 3.148 ( -15.441 -8.787 0.669) 17.779 4.090 ( -3.964 -1.189 -2.738) 4.962 4.721 ( 5.491 -12.327 4.501) 14.226 5.396 ( -9.787 0.051 -7.838) 12.538 5.699 ( -12.763 2.474 6.011) 14.323 6.196 ( 3.830 -0.229 0.585) 3.881 7.973 ( -7.922 9.592 -1.209) 12.499 9.036 ( 3.337 0.937 -9.195) 9.826 9.297 ( -6.726 0.596 -6.899) 9.654 9.800 ( -2.018 -7.782 -5.504) 9.743 10.197 ( 0.833 10.440 13.271) 16.906 10.842 ( 5.479 4.997 -2.904) 7.964 11.148 ( 15.470 5.573 3.442) 16.800 13.037 ( -2.624 -4.854 1.290) 5.667 14.458 ( 4.503 -8.649 -4.679) 10.815 15.254 ( 7.848 6.178 6.383) 11.854 25.467 ( 0.506 0.085 -0.077) 0.519======================= Grid point 360 (160/488) =======================q-point: (-0.27 -0.47 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.064 ( -11.089 -8.603 -8.894) 16.615 3.136 ( -21.561 -9.471 4.398) 23.957 4.072 ( -5.214 -3.142 -1.781) 6.343 4.886 ( -5.940 -3.026 -7.545) 10.068 5.364 ( -4.617 -10.196 4.224) 11.963 5.578 ( -7.464 0.603 5.233) 9.136 6.243 ( 4.686 -0.053 -2.512) 5.317 7.765 ( -5.707 6.059 0.675) 8.351 9.040 ( 2.763 1.198 -14.109) 14.427 9.173 ( -8.391 3.398 1.766) 9.224 9.854 ( -0.414 3.110 -5.309) 6.167 10.123 ( 2.111 -1.197 8.809) 9.137 10.788 ( 7.113 8.153 -1.922) 10.989 11.204 ( 15.981 7.206 4.303) 18.051 13.044 ( -6.210 -0.911 1.407) 6.433 14.682 ( 6.168 -11.511 -2.600) 13.316 15.238 ( 8.196 5.872 3.325) 10.617 25.469 ( 0.384 0.197 0.009) 0.432======================= Grid point 361 (161/488) =======================q-point: (-0.20 -0.47 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.991 ( -24.588 -2.971 4.664) 25.203 3.131 ( -10.584 -12.015 -9.867) 18.808 4.082 ( -8.702 -5.665 0.225) 10.386 4.727 ( -9.459 6.521 -13.884) 18.021 5.512 ( -6.776 -3.584 -0.209) 7.668 5.643 ( 2.535 -15.751 14.876) 21.813 6.285 ( 3.821 -0.836 -3.545) 5.278 7.675 ( -1.992 0.776 1.824) 2.810 8.957 ( -4.209 5.796 -5.864) 9.257 9.085 ( -2.799 0.738 -3.587) 4.609 9.715 ( 3.469 12.399 2.115) 13.047 10.239 ( -0.661 -7.902 -1.426) 8.057 10.731 ( 9.155 7.598 0.256) 11.900 11.242 ( 15.593 7.961 4.317) 18.032 12.956 ( -7.681 2.803 1.239) 8.270 14.916 ( 3.215 -9.603 3.476) 10.707 15.248 ( 9.306 2.737 -4.211) 10.575 25.468 ( 0.265 0.303 0.065) 0.408======================= Grid point 362 (162/488) =======================q-point: (-0.13 -0.47 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.777 ( -22.130 -0.214 4.302) 22.545 3.245 ( -7.883 -14.325 -11.532) 20.008 4.055 ( -14.910 -4.715 1.754) 15.736 4.519 ( -1.261 9.019 -13.548) 16.324 5.512 ( -4.630 -4.197 0.777) 6.297 5.956 ( 1.060 -15.748 13.752) 20.935 6.350 ( 3.306 -3.179 -2.106) 5.047 7.674 ( -0.949 -1.163 -0.100) 1.504 8.815 ( -4.584 4.622 2.144) 6.854 9.022 ( -2.924 2.912 -6.954) 8.086 9.560 ( 6.946 12.587 5.512) 15.397 10.324 ( -1.465 -4.267 -5.703) 7.272 10.736 ( 7.931 2.456 1.487) 8.435 11.261 ( 14.415 8.636 3.606) 17.187 12.821 ( -7.035 4.194 0.839) 8.233 15.045 ( -0.630 -3.879 6.941) 7.977 15.331 ( 8.994 -2.120 -9.070) 12.948 25.464 ( 0.196 0.364 0.093) 0.424======================= Grid point 363 (163/488) =======================q-point: (-0.07 -0.47 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.607 ( -13.244 -1.003 2.679) 13.550 3.412 ( -4.590 -15.148 -12.720) 20.306 3.959 ( -15.817 -3.057 -0.348) 16.113 4.360 ( 4.982 11.025 -10.119) 15.772 5.566 ( -3.359 -6.479 2.306) 7.653 6.198 ( -0.156 -10.123 12.475) 16.066 6.441 ( 2.687 -3.764 -0.297) 4.634 7.665 ( -3.510 -0.474 -4.172) 5.472 8.726 ( -2.782 2.844 5.719) 6.967 8.935 ( -1.705 2.128 -4.134) 4.952 9.453 ( 8.633 10.899 8.031) 16.057 10.358 ( -0.859 -2.846 -6.404) 7.060 10.782 ( 2.818 -0.525 0.004) 2.866 11.248 ( 12.045 9.548 2.503) 15.573 12.697 ( -5.025 3.010 0.256) 5.863 15.079 ( -0.087 -0.302 1.821) 1.848 15.439 ( 4.060 -3.678 -4.582) 7.142 25.460 ( 0.190 0.368 0.078) 0.421======================= Grid point 373 (164/488) =======================q-point: (-0.40 -0.40 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 480Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.813 ( -10.047 -0.000 1.294) 10.130 3.036 ( -14.171 -0.000 -5.180) 15.088 4.035 ( -5.349 -0.000 -1.199) 5.482 4.516 ( 7.634 0.000 6.166) 9.813 5.388 ( -9.754 -0.000 -11.141) 14.808 5.745 ( -16.944 -0.000 6.788) 18.253 6.201 ( 4.732 0.000 1.179) 4.877 8.175 ( -9.406 -0.000 -1.531) 9.530 9.115 ( 4.501 0.000 3.928) 5.974 9.194 ( -4.991 -0.000 -26.735) 27.197 9.675 ( -6.577 -0.000 0.349) 6.587 10.417 ( 0.644 0.000 13.107) 13.123 10.913 ( 6.950 0.000 -3.287) 7.689 11.248 ( 16.116 0.000 2.370) 16.289 12.926 ( 1.409 0.000 0.939) 1.693 14.307 ( 2.385 0.000 -4.434) 5.034 15.375 ( 7.662 0.000 7.019) 10.391 25.468 ( 0.618 0.000 -0.054) 0.621======================= Grid point 374 (165/488) =======================q-point: (-0.33 -0.40 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.764 ( -13.432 -7.316 0.729) 15.313 2.902 ( -15.798 -2.973 -5.698) 17.056 3.991 ( -7.681 -2.089 -1.105) 8.036 4.620 ( 0.846 -6.108 6.890) 9.247 5.261 ( -13.024 -0.242 -13.035) 18.428 5.589 ( -13.709 0.197 7.566) 15.659 6.264 ( 8.667 0.654 -1.071) 8.758 8.013 ( -10.725 6.298 -1.612) 12.542 9.069 ( -0.893 1.712 -17.440) 17.547 9.205 ( -2.703 -2.345 -2.863) 4.582 9.653 ( -4.312 -4.903 -1.942) 6.812 10.391 ( 3.284 6.839 12.480) 14.605 10.968 ( 8.278 2.360 -3.242) 9.198 11.391 ( 17.078 3.328 2.706) 17.608 12.964 ( 0.256 -2.396 1.265) 2.721 14.375 ( 3.720 -5.407 -4.347) 7.872 15.429 ( 7.996 3.905 6.647) 11.107 25.474 ( 0.589 0.082 0.054) 0.597======================= Grid point 375 (166/488) =======================q-point: (-0.27 -0.40 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.753 ( -19.563 -9.371 2.504) 21.836 2.811 ( -15.529 -6.666 -7.613) 18.535 3.937 ( -10.569 -2.691 -0.455) 10.916 4.723 ( -9.089 -8.069 -2.250) 12.360 5.130 ( -14.663 -5.401 -4.722) 16.324 5.517 ( -3.972 -1.090 7.318) 8.398 6.335 ( 10.240 2.480 -3.587) 11.130 7.794 ( -8.981 6.257 -0.473) 10.956 9.026 ( -3.503 -1.257 -19.877) 20.222 9.158 ( -3.162 3.259 3.899) 5.984 9.736 ( -2.840 -8.438 -6.579) 11.070 10.317 ( 7.796 9.910 13.029) 18.131 10.988 ( 9.733 5.556 -2.200) 11.421 11.484 ( 16.650 6.153 2.641) 17.946 12.983 ( -2.887 -0.667 1.568) 3.352 14.548 ( 4.582 -10.488 -3.077) 11.852 15.429 ( 8.092 6.309 4.041) 11.028 25.477 ( 0.507 0.214 0.121) 0.564======================= Grid point 376 (167/488) =======================q-point: (-0.20 -0.40 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.660 ( -25.483 -6.601 5.370) 26.866 2.806 ( -13.387 -11.076 -9.514) 19.809 3.881 ( -12.981 -4.831 0.546) 13.861 4.640 ( -14.780 -0.861 -15.744) 21.612 5.206 ( -12.964 -17.270 2.318) 21.718 5.560 ( 3.206 -3.023 12.393) 13.153 6.362 ( 7.694 4.118 -5.108) 10.112 7.665 ( -3.713 1.444 1.527) 4.267 8.942 ( -8.802 1.769 -8.639) 12.459 9.099 ( 1.117 2.436 -3.772) 4.627 9.804 ( -2.843 -3.459 -8.445) 9.559 10.281 ( 10.757 7.304 12.170) 17.809 10.978 ( 11.759 8.214 -0.208) 14.345 11.533 ( 15.546 7.630 2.392) 17.482 12.929 ( -5.385 2.158 1.329) 5.951 14.774 ( 2.588 -11.334 1.116) 11.679 15.408 ( 8.629 5.811 -2.241) 10.642 25.477 ( 0.419 0.349 0.164) 0.570======================= Grid point 377 (168/488) =======================q-point: (-0.13 -0.40 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.508 ( -23.671 -4.977 5.790) 24.872 2.885 ( -11.711 -15.157 -9.860) 21.543 3.825 ( -15.221 -4.875 1.210) 16.028 4.514 ( -8.937 -2.018 -17.748) 19.973 5.334 ( -10.548 -11.263 -2.331) 15.606 5.728 ( 1.478 -11.432 19.122) 22.328 6.366 ( 4.921 1.338 -4.113) 6.552 7.650 ( -0.449 -0.497 0.916) 1.134 8.806 ( -8.532 2.338 0.543) 8.863 9.056 ( 0.545 3.605 -7.737) 8.553 9.780 ( 1.700 3.609 -4.543) 6.046 10.305 ( 7.732 3.430 6.735) 10.812 10.955 ( 12.478 9.077 1.442) 15.497 11.553 ( 14.414 8.377 1.964) 16.786 12.819 ( -6.234 3.834 0.622) 7.345 14.946 ( -1.558 -7.697 6.923) 10.469 15.421 ( 9.649 2.609 -10.153) 14.248 25.474 ( 0.368 0.443 0.189) 0.607======================= Grid point 378 (169/488) =======================q-point: (-0.07 -0.40 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.409 ( -14.765 -6.368 4.295) 16.643 3.043 ( -9.552 -18.055 -10.276) 22.866 3.755 ( -12.912 -4.438 -0.007) 13.653 4.466 ( -1.831 -0.189 -15.848) 15.955 5.393 ( -7.278 -8.121 -0.550) 10.919 5.974 ( -3.414 -14.819 18.306) 23.799 6.416 ( 3.642 -2.308 -2.122) 4.805 7.633 ( -2.513 1.410 -2.620) 3.895 8.718 ( -5.511 0.281 6.421) 8.467 8.971 ( -0.627 4.495 -6.532) 7.954 9.725 ( 6.730 7.662 1.352) 10.287 10.322 ( 2.980 1.706 0.969) 3.567 10.926 ( 9.953 8.401 1.651) 13.129 11.541 ( 12.770 9.989 1.077) 16.249 12.697 ( -5.438 3.353 -0.251) 6.394 15.033 ( -2.115 -4.613 7.296) 8.887 15.467 ( 7.253 1.085 -11.622) 13.743 25.470 ( 0.364 0.480 0.181) 0.629======================= Grid point 389 (170/488) =======================q-point: (-0.33 -0.33 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 480Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.560 ( -15.477 -0.000 0.619) 15.490 2.700 ( -17.768 -0.000 -6.640) 18.968 3.891 ( -8.628 -0.000 -0.525) 8.644 4.517 ( -13.483 -0.000 9.895) 16.724 5.094 ( -16.718 -0.000 -15.645) 22.897 5.495 ( -5.344 -0.000 6.921) 8.744 6.381 ( 13.662 0.000 -2.553) 13.899 7.951 ( -12.113 -0.000 -1.505) 12.206 8.973 ( -9.399 -0.000 -26.442) 28.063 9.230 ( 5.663 0.000 3.893) 6.872 9.556 ( -5.399 -0.000 -0.915) 5.476 10.508 ( 5.748 0.000 11.849) 13.170 11.074 ( 9.726 0.000 -3.626) 10.380 11.598 ( 17.573 0.000 2.061) 17.694 12.961 ( 1.766 0.000 1.171) 2.119 14.351 ( 2.348 0.000 -3.641) 4.333 15.553 ( 8.177 0.000 6.357) 10.358 25.481 ( 0.611 0.000 0.131) 0.625======================= Grid point 390 (171/488) =======================q-point: (-0.27 -0.33 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.436 ( -19.676 -4.903 1.480) 20.332 2.540 ( -18.539 -4.345 -7.748) 20.557 3.797 ( -11.425 -0.231 0.149) 11.428 4.412 ( -23.502 -9.198 7.423) 26.307 4.892 ( -20.070 -1.352 -11.838) 23.340 5.508 ( 3.995 -0.784 4.766) 6.268 6.511 ( 16.325 2.956 -3.823) 17.025 7.784 ( -11.130 4.297 -1.008) 11.973 8.874 ( -9.734 -3.916 -24.335) 26.501 9.239 ( 2.948 5.014 3.456) 6.766 9.570 ( -3.205 -6.723 -3.155) 8.088 10.554 ( 9.995 5.308 12.028) 16.515 11.152 ( 10.677 2.245 -2.983) 11.311 11.741 ( 16.900 3.905 1.032) 17.376 12.975 ( 0.449 0.700 1.343) 1.580 14.424 ( 1.467 -7.119 -2.473) 7.678 15.606 ( 8.023 4.196 4.306) 10.025 25.486 ( 0.583 0.147 0.163) 0.623======================= Grid point 391 (172/488) =======================q-point: (-0.20 -0.33 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.306 ( -24.685 -5.941 3.826) 25.676 2.466 ( -17.611 -9.673 -8.260) 21.724 3.681 ( -14.721 -2.302 1.215) 14.949 4.340 ( -25.439 -9.479 -4.936) 27.593 4.783 ( -18.857 -12.598 -3.213) 22.905 5.591 ( 7.086 -1.156 6.270) 9.532 6.559 ( 12.087 8.255 -5.065) 15.489 7.651 ( -4.248 1.066 1.690) 4.695 8.816 ( -10.243 -3.415 -17.136) 20.254 9.176 ( 2.506 4.884 -0.640) 5.527 9.655 ( -3.252 -7.018 -6.275) 9.960 10.579 ( 14.713 8.458 12.718) 21.208 11.207 ( 12.197 4.551 -0.790) 13.043 11.811 ( 15.258 6.942 -0.000) 16.763 12.936 ( -2.114 3.132 1.127) 3.943 14.596 ( 0.137 -11.731 0.432) 11.740 15.594 ( 7.795 6.527 -0.989) 10.214 25.488 ( 0.534 0.315 0.177) 0.645======================= Grid point 392 (173/488) =======================q-point: (-0.13 -0.33 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.172 ( -23.912 -7.295 6.601) 25.857 2.486 ( -16.155 -14.579 -8.289) 23.286 3.596 ( -14.626 -4.801 1.157) 15.437 4.233 ( -21.538 -9.890 -13.014) 27.038 4.903 ( -16.680 -21.070 -0.825) 26.886 5.694 ( 5.688 -1.906 11.124) 12.638 6.493 ( 5.909 7.957 -4.487) 10.880 7.656 ( 2.712 -0.446 3.114) 4.153 8.724 ( -10.481 -0.578 -6.854) 12.537 9.131 ( 3.134 4.267 -5.535) 7.659 9.713 ( -3.364 -5.546 -8.563) 10.742 10.595 ( 16.590 11.046 12.918) 23.751 11.236 ( 13.253 7.724 1.511) 15.414 11.828 ( 13.515 7.831 -0.492) 15.628 12.838 ( -4.047 4.843 0.220) 6.316 14.780 ( -2.765 -10.678 5.684) 12.409 15.567 ( 8.663 5.181 -9.247) 13.690 25.486 ( 0.495 0.450 0.183) 0.694======================= Grid point 393 (174/488) =======================q-point: (-0.07 -0.33 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.123 ( -15.416 -10.346 6.661) 19.725 2.606 ( -13.599 -18.927 -7.888) 24.605 3.551 ( -10.903 -5.656 -0.112) 12.284 4.241 ( -13.959 -14.162 -14.081) 24.366 5.084 ( -13.411 -18.055 -3.537) 22.768 5.802 ( 0.677 -5.216 16.964) 17.761 6.448 ( 3.987 2.298 -2.775) 5.374 7.667 ( 1.941 3.462 0.373) 3.986 8.641 ( -8.116 -2.046 1.678) 8.537 9.057 ( 1.404 6.440 -5.834) 8.802 9.761 ( -0.846 -4.108 -8.200) 9.210 10.562 ( 13.804 13.589 12.265) 22.926 11.209 ( 11.688 10.916 1.717) 16.084 11.823 ( 12.292 8.532 -0.545) 14.973 12.709 ( -4.756 4.742 -0.939) 6.782 14.909 ( -3.666 -8.115 9.064) 12.707 15.570 ( 8.564 3.494 -14.579) 17.266 25.483 ( 0.477 0.523 0.170) 0.728======================= Grid point 405 (175/488) =======================q-point: (-0.27 -0.27 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 480Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.201 ( -20.524 -0.000 0.620) 20.534 2.284 ( -21.994 -0.000 -7.893) 23.368 3.698 ( -10.293 -0.000 -0.323) 10.298 4.032 ( -35.058 -0.000 11.906) 37.025 4.645 ( -23.483 -0.000 -11.535) 26.163 5.575 ( 8.887 0.000 1.338) 8.987 6.730 ( 21.615 0.000 -3.004) 21.822 7.700 ( -12.246 -0.000 -1.322) 12.317 8.687 ( -11.694 -0.000 -27.149) 29.561 9.353 ( 5.387 0.000 3.480) 6.413 9.454 ( -4.331 -0.000 -2.253) 4.882 10.728 ( 13.320 0.000 11.616) 17.674 11.271 ( 10.732 0.000 -3.495) 11.287 11.943 ( 16.341 0.000 -0.714) 16.357 13.000 ( 1.721 0.000 1.253) 2.129 14.354 ( -1.945 -0.000 -1.265) 2.320 15.728 ( 7.695 0.000 3.269) 8.360 25.493 ( 0.613 0.000 0.156) 0.633======================= Grid point 406 (176/488) =======================q-point: (-0.20 -0.27 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.994 ( -24.489 -2.139 1.572) 24.633 2.113 ( -22.208 -7.403 -7.460) 24.570 3.521 ( -18.578 2.485 3.432) 19.055 3.844 ( -30.711 -13.893 5.946) 34.228 4.420 ( -23.654 -4.813 -8.948) 25.744 5.672 ( 9.650 -0.038 0.464) 9.661 6.857 ( 17.154 10.527 -3.298) 20.396 7.603 ( -5.045 -2.314 1.442) 5.735 8.588 ( -11.914 -6.143 -25.260) 28.597 9.298 ( 2.066 6.448 0.525) 6.791 9.517 ( -1.147 -6.086 -2.018) 6.514 10.863 ( 17.660 4.203 11.816) 21.660 11.367 ( 11.188 1.026 -2.147) 11.439 12.058 ( 14.686 4.605 -2.463) 15.587 12.988 ( 0.463 3.362 1.028) 3.546 14.399 ( -4.102 -9.039 0.785) 9.957 15.763 ( 6.774 4.598 -0.633) 8.212 25.498 ( 0.607 0.195 0.135) 0.652======================= Grid point 407 (177/488) =======================q-point: (-0.13 -0.27 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.820 ( -24.339 -6.784 6.162) 26.007 2.056 ( -21.122 -13.261 -6.976) 25.897 3.360 ( -18.463 -5.907 3.498) 19.698 3.767 ( -28.600 -11.736 -3.329) 31.093 4.378 ( -20.143 -18.033 -3.667) 27.284 5.761 ( 7.749 0.256 2.051) 8.020 6.724 ( 4.177 14.081 -3.581) 15.117 7.695 ( 8.741 -2.759 6.655) 11.327 8.546 ( -11.779 -5.608 -18.533) 22.665 9.237 ( 3.931 4.423 -2.864) 6.574 9.580 ( -2.551 -4.748 -4.553) 7.056 10.968 ( 20.452 8.717 12.345) 25.429 11.454 ( 11.928 2.783 1.099) 12.297 12.083 ( 12.146 7.598 -3.537) 14.757 12.902 ( -1.556 6.064 -0.074) 6.260 14.549 ( -5.441 -13.074 4.894) 14.983 15.728 ( 6.705 5.975 -8.409) 12.304 25.499 ( 0.575 0.382 0.112) 0.700======================= Grid point 408 (178/488) =======================q-point: (-0.07 -0.27 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.785 ( -15.876 -12.653 9.419) 22.380 2.123 ( -17.690 -19.248 -6.072) 26.838 3.343 ( -10.213 -7.973 0.895) 12.987 3.731 ( -25.092 -19.471 -6.939) 32.509 4.555 ( -17.189 -24.354 -2.303) 29.898 5.818 ( 4.081 0.683 5.626) 6.984 6.559 ( 1.577 7.555 -1.587) 7.879 7.793 ( 9.373 4.607 5.271) 11.698 8.489 ( -10.794 -4.470 -8.191) 14.268 9.188 ( 3.642 6.596 -3.958) 8.511 9.640 ( -1.500 -6.345 -6.874) 9.474 10.989 ( 18.376 14.936 13.221) 27.122 11.488 ( 10.653 7.874 2.629) 13.505 12.064 ( 10.403 7.159 -3.024) 12.986 12.766 ( -2.876 7.044 -1.736) 7.804 14.711 ( -5.645 -11.874 9.409) 16.168 15.701 ( 8.213 4.231 -16.113) 18.574 25.497 ( 0.532 0.505 0.078) 0.738======================= Grid point 421 (179/488) =======================q-point: (-0.20 -0.20 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 480Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.749 ( -24.706 -0.000 1.942) 24.782 1.773 ( -26.856 -0.000 -8.377) 28.133 3.266 ( -43.980 -0.000 15.712) 46.703 3.489 ( -10.180 -0.000 -0.682) 10.203 4.120 ( -25.480 -0.000 -9.366) 27.147 5.772 ( 10.014 0.000 -2.874) 10.418 7.209 ( 25.937 0.000 -0.002) 25.937 7.466 ( -10.503 -0.000 -1.017) 10.552 8.360 ( -13.396 -0.000 -26.860) 30.015 9.376 ( -2.631 -0.000 -2.441) 3.589 9.459 ( 4.203 0.000 2.712) 5.002 11.109 ( 21.582 0.000 11.129) 24.282 11.474 ( 10.164 0.000 -2.870) 10.562 12.236 ( 13.392 0.000 -4.864) 14.248 13.034 ( 1.304 0.000 1.137) 1.730 14.249 ( -8.917 -0.000 1.814) 9.099 15.862 ( 5.025 0.000 -2.529) 5.626 25.506 ( 0.638 0.000 0.086) 0.644======================= Grid point 422 (180/488) =======================q-point: (-0.13 -0.20 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.486 ( -26.295 -3.550 3.451) 26.757 1.613 ( -25.774 -10.399 -4.579) 28.167 2.931 ( -40.297 -10.828 14.179) 44.069 3.422 ( -13.525 -3.225 -1.482) 13.983 3.924 ( -22.954 -9.192 -7.149) 25.739 5.853 ( 8.291 0.988 -3.930) 9.228 7.027 ( -1.146 20.985 -3.785) 21.354 7.733 ( 18.142 -12.054 7.511) 23.040 8.264 ( -13.280 -7.714 -23.638) 28.189 9.324 ( 0.982 2.675 -2.012) 3.488 9.514 ( 0.837 -1.411 0.308) 1.670 11.321 ( 24.616 4.656 10.971) 27.350 11.577 ( 9.996 -0.646 -0.735) 10.044 12.303 ( 10.668 5.471 -6.536) 13.655 12.995 ( -0.014 5.519 0.315) 5.528 14.258 ( -10.673 -12.267 4.228) 16.801 15.856 ( 3.352 4.061 -8.677) 10.149 25.510 ( 0.612 0.236 0.042) 0.658======================= Grid point 423 (181/488) =======================q-point: (-0.07 -0.20 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.416 ( -17.017 -13.604 12.290) 25.013 1.601 ( -22.019 -18.501 -4.264) 29.075 2.892 ( -30.544 -25.119 8.824) 40.519 3.311 ( -13.708 -2.830 -3.982) 14.553 3.983 ( -17.758 -21.788 -3.274) 28.298 5.891 ( 5.123 1.938 -3.253) 6.371 6.708 ( -4.136 11.916 -1.074) 12.659 8.023 ( 19.407 3.559 10.146) 22.186 8.248 ( -12.109 -8.347 -16.388) 22.019 9.312 ( 4.346 2.946 -3.155) 6.125 9.534 ( -1.058 -3.027 -2.148) 3.859 11.442 ( 22.678 12.564 11.340) 28.297 11.673 ( 8.993 2.070 3.270) 9.790 12.268 ( 7.630 7.399 -6.248) 12.329 12.871 ( -1.281 7.902 -1.836) 8.213 14.417 ( -9.219 -16.392 8.606) 20.682 15.813 ( 5.651 3.063 -17.767) 18.894 25.511 ( 0.532 0.429 -0.021) 0.684======================= Grid point 437 (182/488) =======================q-point: (-0.13 -0.13 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 480Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.179 ( -29.837 -0.000 -3.885) 30.089 1.238 ( -26.913 -0.000 6.034) 27.581 2.393 ( -47.761 -0.000 22.057) 52.608 3.298 ( -8.323 -0.000 -1.548) 8.466 3.605 ( -22.645 -0.000 -8.418) 24.159 5.935 ( 7.243 0.000 -7.252) 10.249 7.282 ( -7.487 -0.000 -0.658) 7.516 7.621 ( 4.539 0.000 -34.118) 34.419 8.144 ( 8.784 0.000 19.275) 21.182 9.339 ( -0.525 -0.000 -1.034) 1.160 9.533 ( 2.601 0.000 1.766) 3.144 11.640 ( 28.064 0.000 9.377) 29.589 11.653 ( 8.163 0.000 -1.912) 8.384 12.439 ( 8.469 0.000 -9.295) 12.574 13.057 ( 0.665 0.000 0.825) 1.059 13.996 ( -17.513 -0.000 3.737) 17.907 15.885 ( -1.703 -0.000 -12.084) 12.203 25.519 ( 0.594 0.000 -0.003) 0.594======================= Grid point 438 (183/488) =======================q-point: (-0.07 -0.13 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.023 ( -19.545 -14.509 11.796) 27.049 1.087 ( -25.140 -12.347 4.348) 28.344 2.129 ( -42.756 -21.062 20.608) 51.927 3.201 ( -8.039 1.407 -3.660) 8.945 3.503 ( -16.505 -13.746 -4.683) 21.984 5.967 ( 4.557 2.007 -8.879) 10.180 6.879 ( -11.310 19.208 -4.625) 22.765 7.809 ( -14.024 -21.095 -39.743) 47.130 8.425 ( 35.141 4.368 42.428) 55.264 9.341 ( 1.547 -1.160 -1.450) 2.417 9.536 ( 0.959 2.175 1.052) 2.599 11.755 ( 7.510 -2.090 1.386) 7.917 11.880 ( 27.521 7.628 8.225) 29.720 12.434 ( 4.317 6.102 -9.557) 12.133 12.986 ( -0.974 7.214 -0.720) 7.315 13.998 ( -16.522 -19.442 5.085) 26.016 15.832 ( -1.901 -1.323 -20.430) 20.561 25.522 ( 0.476 0.285 -0.076) 0.560======================= Grid point 453 (184/488) =======================q-point: (-0.07 -0.07 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 480Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.685 ( -15.170 -0.000 23.220) 27.736 0.752 ( -22.510 -0.000 16.929) 28.165 1.508 ( -46.646 -0.000 30.601) 55.787 3.157 ( -4.949 -0.000 -2.729) 5.651 3.216 ( -12.607 -0.000 -6.103) 14.007 6.009 ( 2.539 0.000 -12.571) 12.825 7.082 ( -36.448 -0.000 -45.158) 58.032 7.168 ( -3.706 -0.000 -0.290) 3.718 9.081 ( 70.166 0.000 66.087) 96.389 9.360 ( 5.225 0.000 6.297) 8.183 9.572 ( 0.898 0.000 0.844) 1.233 11.782 ( 4.934 0.000 -0.865) 5.009 12.237 ( 27.433 0.000 3.910) 27.710 12.500 ( -0.236 -0.000 -12.594) 12.596 13.065 ( 0.018 0.000 0.379) 0.379 13.532 ( -31.417 -0.000 -1.421) 31.449 15.664 ( -17.518 -0.000 -21.112) 27.434 25.528 ( 0.342 0.000 -0.143) 0.371======================= Grid point 454 (185/488) =======================q-point: ( 0.00 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 488Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.149 ( 3.786 0.000 25.822) 26.098 1.240 ( -20.123 -0.000 28.514) 34.900 2.042 ( 15.552 0.000 48.300) 50.742 2.981 ( -1.034 -0.000 -7.219) 7.293 3.026 ( 0.634 0.000 -4.612) 4.655 5.545 ( -1.495 -0.000 -26.591) 26.633 6.453 ( -2.711 -0.000 0.193) 2.718 7.136 ( 0.595 0.000 0.105) 0.604 9.434 ( 2.238 0.000 3.200) 3.905 9.577 ( -1.086 -0.000 0.126) 1.093 11.738 ( 34.780 0.000 0.982) 34.794 11.841 ( 1.272 0.000 0.044) 1.273 11.944 ( -9.329 -0.000 2.291) 9.606 12.682 ( 1.357 0.000 3.838) 4.071 12.795 ( -0.261 -0.000 -6.796) 6.801 13.059 ( -0.693 -0.000 -0.108) 0.701 15.356 ( 2.770 0.000 0.116) 2.772 25.526 ( 0.124 0.000 -0.289) 0.314======================= Grid point 455 (186/488) =======================q-point: ( 0.07 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.183 ( -8.256 -9.081 26.395) 29.109 1.325 ( 6.557 -8.886 24.622) 26.985 2.460 ( 21.903 -16.554 36.691) 45.826 3.052 ( -1.812 -5.119 -2.301) 5.898 3.129 ( 8.709 -13.867 -6.513) 17.623 5.488 ( -2.114 0.558 -26.453) 26.543 6.454 ( 2.016 0.356 -0.592) 2.131 7.185 ( 1.845 -3.600 -2.707) 4.868 9.388 ( -5.208 10.038 3.415) 11.813 9.549 ( 2.291 0.081 1.427) 2.700 10.851 ( -6.297 46.853 10.264) 48.376 11.833 ( -6.786 3.449 2.385) 7.977 12.017 ( -11.281 6.562 -1.040) 13.092 12.760 ( -8.073 8.423 -4.812) 12.621 12.914 ( 7.203 10.102 2.163) 12.594 13.463 ( 20.005 -39.899 -2.790) 44.720 15.580 ( 10.389 -16.960 -11.784) 23.118 25.524 ( 0.009 0.336 -0.311) 0.458======================= Grid point 456 (187/488) =======================q-point: ( 0.13 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.405 ( -0.083 -16.967 18.181) 24.868 1.642 ( 11.828 -13.779 20.718) 27.550 2.996 ( 13.837 -15.703 1.281) 20.969 3.178 ( 5.121 -13.825 7.165) 16.391 3.593 ( 15.842 -25.549 6.435) 30.743 5.411 ( -3.317 1.326 -22.733) 23.011 6.463 ( 2.183 1.134 -1.143) 2.712 7.265 ( 2.363 -3.919 -6.191) 7.699 9.028 ( -7.865 21.580 5.150) 23.539 9.601 ( 3.112 -0.936 3.464) 4.750 10.306 ( 1.239 20.259 4.786) 20.853 11.631 ( -12.659 17.062 4.013) 21.621 11.717 ( -11.288 7.192 5.760) 14.572 12.398 ( -9.835 16.907 -7.247) 20.858 12.882 ( 3.473 3.434 0.041) 4.885 14.115 ( 8.083 -23.589 3.053) 25.121 15.926 ( 6.978 -13.297 -16.742) 22.490 25.514 ( -0.276 0.659 -0.327) 0.785======================= Grid point 457 (188/488) =======================q-point: ( 0.20 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.739 ( 2.613 -18.171 12.049) 21.959 2.052 ( 14.005 -16.358 14.952) 26.216 3.200 ( 2.277 -8.060 -5.327) 9.926 3.663 ( 14.201 -23.666 -11.228) 29.796 4.253 ( 19.300 -28.951 18.502) 39.408 5.329 ( -3.458 0.638 -14.950) 15.358 6.458 ( 1.075 1.140 -1.285) 2.027 7.344 ( 2.842 -3.648 -7.452) 8.771 8.647 ( -2.770 16.786 3.446) 17.358 9.629 ( 3.148 2.424 7.173) 8.200 10.068 ( -0.006 12.420 -2.475) 12.664 11.151 ( -16.149 19.446 10.185) 27.252 11.519 ( -6.940 8.676 3.009) 11.510 12.036 ( -8.954 14.078 -10.759) 19.852 12.847 ( 0.434 3.061 0.617) 3.152 14.480 ( 2.619 -14.521 3.943) 15.273 16.091 ( 0.802 -4.725 -11.462) 12.423 25.496 ( -0.535 0.831 -0.314) 1.037======================= Grid point 458 (189/488) =======================q-point: ( 0.27 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.070 ( 2.858 -16.137 8.376) 18.405 2.486 ( 13.776 -16.699 8.635) 23.306 3.360 ( 2.949 -8.785 -3.774) 10.006 4.094 ( 8.110 -15.653 -27.917) 33.018 4.947 ( 18.265 -27.495 21.330) 39.301 5.320 ( 0.124 -4.919 -3.544) 6.064 6.446 ( 0.016 0.575 -1.355) 1.472 7.424 ( 3.354 -3.559 -7.178) 8.686 8.444 ( 2.660 8.181 1.778) 8.784 9.598 ( 3.778 7.086 12.818) 15.126 9.827 ( -5.751 12.974 -6.922) 15.790 10.776 ( -9.528 10.426 6.887) 15.714 11.284 ( -7.295 11.568 1.819) 13.797 11.713 ( -8.819 12.470 -10.151) 18.339 12.796 ( -1.124 2.655 1.224) 3.132 14.686 ( -0.012 -8.708 2.280) 9.002 16.091 ( -2.939 1.291 -5.832) 6.657 25.476 ( -0.614 0.774 -0.277) 1.026======================= Grid point 459 (190/488) =======================q-point: ( 0.33 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.343 ( 2.418 -12.152 5.547) 13.575 2.893 ( 12.260 -15.483 2.049) 19.855 3.533 ( 3.713 -8.279 -2.866) 9.516 4.231 ( -1.884 -2.770 -30.835) 31.016 5.440 ( 6.273 -11.778 8.970) 16.079 5.626 ( 14.599 -22.933 13.621) 30.407 6.442 ( -0.454 -0.818 -1.069) 1.421 7.507 ( 3.193 -3.294 -6.480) 7.940 8.421 ( 6.179 0.820 1.748) 6.474 9.499 ( -3.032 12.025 4.935) 13.347 9.538 ( -1.074 10.444 5.322) 11.771 10.627 ( -3.741 1.179 -0.699) 3.984 11.001 ( -7.753 13.119 0.756) 15.258 11.422 ( -7.869 10.903 -6.881) 15.105 12.744 ( -1.740 2.058 1.198) 2.950 14.792 ( -1.170 -5.153 -0.091) 5.285 15.993 ( -4.458 4.850 -1.972) 6.876 25.460 ( -0.489 0.513 -0.219) 0.742======================= Grid point 460 (191/488) =======================q-point: ( 0.40 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.531 ( 1.770 -7.109 3.294) 8.033 3.235 ( 10.143 -11.661 -5.642) 16.453 3.689 ( 3.522 -6.183 -2.264) 7.467 4.130 ( -7.800 2.596 -23.136) 24.553 5.678 ( 5.241 -8.018 7.022) 11.877 6.124 ( 11.520 -16.955 12.843) 24.190 6.466 ( -0.294 -2.628 -0.013) 2.644 7.568 ( 1.197 -1.964 -5.833) 6.270 8.518 ( 6.222 -3.791 2.490) 7.700 9.219 ( -6.895 10.667 -5.020) 13.657 9.466 ( 6.514 6.842 18.181) 20.489 10.611 ( -1.275 0.053 -5.759) 5.898 10.727 ( -7.525 8.171 -1.595) 11.222 11.188 ( -4.876 8.116 -1.977) 9.672 12.697 ( -1.969 1.454 0.664) 2.537 14.849 ( -1.177 -3.666 -2.474) 4.576 15.850 ( -4.461 6.548 0.456) 7.937 25.450 ( -0.233 0.157 -0.159) 0.323======================= Grid point 461 (192/488) =======================q-point: ( 0.47 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.622 ( 0.987 -1.817 1.946) 2.840 3.415 ( 5.833 0.122 -14.721) 15.835 3.802 ( 0.283 -5.101 -2.611) 5.737 3.996 ( -6.147 -0.472 -12.294) 13.753 5.800 ( 1.942 -0.738 6.599) 6.918 6.408 ( 5.323 -4.450 6.118) 9.250 6.536 ( 0.817 -5.329 5.425) 7.648 7.569 ( -2.828 0.023 -4.639) 5.433 8.642 ( 1.252 -5.108 2.697) 5.911 9.029 ( 0.149 7.155 -3.755) 8.082 9.497 ( 8.417 1.044 17.601) 19.538 10.458 ( -4.313 8.578 -1.731) 9.756 10.682 ( -3.451 -4.078 -9.251) 10.682 11.087 ( 1.293 0.710 1.438) 2.060 12.659 ( -2.154 0.706 0.158) 2.273 14.897 ( -0.148 -3.804 -4.457) 5.862 15.698 ( -3.517 6.876 2.102) 8.004 25.449 ( 0.041 -0.173 -0.121) 0.215======================= Grid point 462 (193/488) =======================q-point: (-0.47 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.617 ( 0.052 3.309 1.751) 3.744 3.302 ( -1.829 11.307 -15.601) 19.354 3.800 ( -4.975 1.085 -3.917) 6.425 4.051 ( 1.831 -7.351 -9.022) 11.781 5.754 ( -2.217 6.960 6.125) 9.533 6.457 ( 2.502 1.839 1.630) 3.507 6.595 ( -1.833 0.961 8.867) 9.105 7.515 ( -5.939 -0.391 -2.376) 6.409 8.713 ( -3.364 -5.155 2.254) 6.555 8.953 ( 4.688 6.023 -2.988) 8.196 9.640 ( 9.497 -3.796 14.114) 17.430 10.312 ( -3.742 2.955 -1.554) 5.015 10.720 ( 0.665 -4.628 -4.923) 6.790 11.189 ( 5.653 -7.622 -1.659) 9.633 12.632 ( -2.486 -0.153 0.117) 2.494 14.966 ( 1.575 -4.597 -5.657) 7.457 15.562 ( -2.147 6.534 3.304) 7.630 25.455 ( 0.244 -0.400 -0.122) 0.484======================= Grid point 463 (194/488) =======================q-point: (-0.40 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.521 ( -0.964 7.918 2.635) 8.401 3.019 ( -6.187 14.890 -10.130) 19.042 3.694 ( -3.850 5.452 -3.301) 7.446 4.143 ( 0.116 -2.644 -13.252) 13.514 5.552 ( -6.432 12.670 5.129) 15.107 6.417 ( -0.152 6.177 5.725) 8.423 6.495 ( -3.145 6.515 3.887) 8.212 7.485 ( -5.558 -3.780 -0.504) 6.741 8.781 ( -3.178 -6.698 4.064) 8.454 8.867 ( 2.238 8.098 -5.349) 9.960 9.778 ( 5.294 0.206 5.696) 7.779 10.345 ( 3.077 -9.089 5.310) 10.967 10.857 ( 5.126 -8.787 -2.501) 10.475 11.412 ( 7.251 -11.323 -5.310) 14.456 12.613 ( -2.985 -0.816 0.590) 3.150 15.063 ( 3.370 -4.850 -5.453) 8.038 15.445 ( -0.895 6.370 3.519) 7.332 25.466 ( 0.346 -0.514 -0.161) 0.640======================= Grid point 464 (195/488) =======================q-point: (-0.33 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.345 ( -2.461 11.676 3.876) 12.546 2.673 ( -7.906 16.910 -2.912) 18.893 3.541 ( -2.947 8.056 -3.376) 9.219 4.063 ( -4.310 8.166 -14.574) 17.253 5.225 ( -10.864 17.095 3.334) 20.527 6.210 ( -7.839 12.026 9.404) 17.161 6.443 ( 3.931 1.555 -1.784) 4.589 7.537 ( -2.778 -7.580 -0.956) 8.129 8.686 ( -3.910 9.804 -3.587) 11.147 8.918 ( 1.318 -8.665 2.748) 9.186 9.761 ( 1.506 4.735 1.253) 5.124 10.665 ( 9.777 -18.014 10.098) 22.849 11.092 ( 6.678 -12.344 -2.893) 14.330 11.677 ( 7.887 -11.970 -7.667) 16.256 12.601 ( -3.331 -1.438 1.114) 3.795 15.166 ( 3.847 -2.297 0.774) 4.547 15.340 ( 0.593 5.555 -2.485) 6.114 25.478 ( 0.366 -0.556 -0.219) 0.701======================= Grid point 465 (196/488) =======================q-point: (-0.27 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.089 ( -6.572 14.774 3.859) 16.624 2.308 ( -6.132 18.130 7.202) 20.449 3.367 ( -2.066 8.923 -3.959) 9.978 3.746 ( -9.553 19.056 -10.105) 23.591 4.768 ( -14.982 22.798 2.588) 27.403 5.958 ( -6.896 9.319 1.647) 11.710 6.491 ( 4.012 -2.106 -0.807) 4.602 7.667 ( -0.680 -9.434 -5.882) 11.138 8.479 ( -3.444 8.027 -0.503) 8.749 9.105 ( 3.253 -9.844 5.283) 11.637 9.689 ( 1.827 5.724 1.268) 6.141 11.108 ( 11.096 -19.950 10.412) 25.090 11.375 ( 6.465 -13.817 -3.403) 15.630 11.933 ( 7.978 -10.185 -8.316) 15.379 12.605 ( -3.056 -3.032 0.679) 4.358 15.113 ( -2.500 10.730 13.383) 17.335 15.348 ( 6.910 -2.740 -16.082) 17.717 25.491 ( 0.343 -0.568 -0.270) 0.717======================= Grid point 466 (197/488) =======================q-point: (-0.20 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.734 ( -11.553 16.869 6.777) 21.540 1.983 ( -2.608 17.910 16.915) 24.773 3.203 ( -0.895 7.956 -4.878) 9.376 3.240 ( -14.245 25.733 -0.238) 29.414 4.199 ( -16.203 26.158 2.685) 30.886 5.778 ( -4.406 5.007 -8.970) 11.177 6.563 ( 0.468 -3.098 -0.584) 3.187 7.701 ( -7.405 2.260 -17.346) 18.995 8.501 ( 8.952 -10.991 13.073) 19.283 9.304 ( 4.480 -7.724 6.448) 11.014 9.623 ( 3.922 5.289 2.365) 6.996 11.545 ( 7.481 -18.633 5.187) 20.738 11.663 ( 8.034 -12.426 1.130) 14.840 12.146 ( 8.596 -6.907 -6.285) 12.692 12.653 ( -2.460 -6.300 -1.558) 6.941 14.840 ( -7.338 18.453 8.939) 21.777 15.446 ( 8.493 -1.431 -14.871) 17.185 25.503 ( 0.300 -0.559 -0.297) 0.701======================= Grid point 467 (198/488) =======================q-point: (-0.13 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.366 ( -10.596 14.257 16.616) 24.323 1.697 ( -3.186 16.286 23.195) 28.521 2.643 ( -15.993 27.486 14.375) 34.898 3.081 ( 0.682 5.543 -5.653) 7.947 3.627 ( -13.574 23.636 0.912) 27.272 5.670 ( -2.688 1.954 -18.085) 18.387 6.583 ( -4.966 -1.896 -1.478) 5.517 7.454 ( -9.407 10.859 -15.190) 20.908 9.028 ( 15.758 -30.552 16.071) 37.947 9.425 ( 3.638 0.110 4.357) 5.677 9.663 ( 14.224 -2.728 9.699) 17.431 11.827 ( 1.364 -10.003 -2.622) 10.431 11.957 ( 8.030 -10.494 3.976) 13.799 12.348 ( 13.693 -5.788 0.071) 14.866 12.757 ( -3.081 -9.841 -3.504) 10.891 14.348 ( -14.549 29.642 1.626) 33.060 15.500 ( 7.418 3.055 -12.825) 15.127 25.514 ( 0.237 -0.490 -0.303) 0.623======================= Grid point 468 (199/488) =======================q-point: (-0.07 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.150 ( -4.359 5.403 25.612) 26.537 1.449 ( -9.524 10.049 27.338) 30.644 2.126 ( -6.342 21.370 34.148) 40.780 3.019 ( 1.771 2.650 -6.281) 7.044 3.187 ( -8.417 14.708 -2.373) 17.111 5.600 ( -1.992 0.442 -23.975) 24.062 6.521 ( -8.333 0.346 -1.754) 8.523 7.208 ( -3.503 7.398 -4.842) 9.510 9.419 ( 1.206 0.748 3.742) 4.002 9.511 ( 1.096 -9.447 0.689) 9.535 10.371 ( 47.017 -46.300 24.800) 70.493 11.928 ( 2.501 -0.434 1.699) 3.054 12.109 ( 0.096 -2.315 -7.642) 7.986 12.598 ( 17.622 -2.579 4.169) 18.291 12.903 ( -3.947 -11.658 -1.891) 12.453 13.545 ( -23.531 42.428 -5.407) 48.817 15.441 ( 2.948 8.295 -6.293) 10.822 25.523 ( 0.162 -0.297 -0.301) 0.453======================= Grid point 470 (200/488) =======================q-point: ( 0.07 0.07 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 488Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.087 ( 2.791 0.000 26.217) 26.365 1.413 ( 14.624 0.000 21.199) 25.754 2.630 ( 24.743 0.000 44.728) 51.115 2.992 ( 4.148 0.000 -7.477) 8.550 3.120 ( 12.587 0.000 -7.552) 14.679 5.439 ( -1.752 -0.000 -27.401) 27.457 6.513 ( 7.288 0.000 -5.045) 8.864 7.190 ( 4.678 0.000 0.082) 4.679 9.444 ( -3.225 -0.000 3.472) 4.739 9.542 ( -2.352 -0.000 0.328) 2.375 11.017 ( -39.920 -0.000 8.897) 40.899 11.820 ( -3.306 -0.000 -0.221) 3.314 11.938 ( -15.290 -0.000 -0.681) 15.305 12.717 ( -10.378 -0.000 -6.976) 12.505 13.042 ( -0.924 -0.000 0.004) 0.924 13.491 ( 44.320 0.000 1.065) 44.333 15.479 ( 7.585 0.000 -10.638) 13.066 25.526 ( -0.180 -0.000 -0.291) 0.342======================= Grid point 471 (201/488) =======================q-point: ( 0.13 0.07 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.286 ( 14.687 -7.394 18.047) 24.414 1.656 ( 17.131 -6.678 18.976) 26.422 2.972 ( 17.811 -7.379 12.172) 22.800 3.075 ( 5.574 -5.660 5.176) 9.481 3.440 ( 23.830 -16.450 2.918) 29.103 5.376 ( -1.734 1.155 -24.672) 24.760 6.553 ( 7.369 3.271 -6.418) 10.305 7.257 ( 5.836 -1.341 -1.675) 6.218 9.245 ( -9.647 14.490 3.648) 17.785 9.577 ( -0.529 -4.239 1.714) 4.603 10.556 ( -16.103 14.524 4.917) 22.236 11.686 ( -20.972 8.467 5.036) 23.170 11.734 ( -5.616 4.848 1.599) 7.589 12.493 ( -16.146 9.703 -6.578) 19.953 12.970 ( 0.335 5.191 -0.417) 5.219 13.984 ( 25.003 -11.800 4.724) 28.048 15.679 ( 2.109 -15.881 -15.949) 22.606 25.519 ( -0.495 0.397 -0.265) 0.688======================= Grid point 472 (202/488) =======================q-point: ( 0.20 0.07 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.614 ( 16.785 -9.646 12.439) 23.011 2.010 ( 18.052 -11.088 16.077) 26.595 3.148 ( 8.268 -3.770 -6.307) 11.061 3.432 ( 13.908 -18.825 -3.319) 23.640 4.052 ( 24.741 -23.947 16.197) 38.052 5.306 ( -0.994 1.728 -18.433) 18.540 6.542 ( 5.839 4.743 -4.972) 9.017 7.336 ( 5.908 -1.434 -3.736) 7.136 8.888 ( -6.617 16.445 2.799) 17.946 9.644 ( -0.116 -3.381 3.319) 4.739 10.252 ( -4.915 12.005 -2.784) 13.267 11.265 ( -22.802 14.974 12.247) 29.902 11.581 ( -6.664 6.677 2.434) 9.742 12.134 ( -13.907 12.404 -8.826) 20.619 12.897 ( -0.802 3.610 -0.491) 3.731 14.358 ( 13.033 -9.737 5.657) 17.224 15.895 ( -5.088 -13.139 -13.627) 19.601 25.503 ( -0.746 0.689 -0.238) 1.043======================= Grid point 473 (203/488) =======================q-point: ( 0.27 0.07 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.957 ( 15.940 -9.772 9.704) 21.065 2.406 ( 16.705 -12.870 11.303) 23.926 3.302 ( 9.469 -4.992 -4.224) 11.508 3.863 ( 10.217 -18.388 -22.545) 30.835 4.726 ( 21.100 -25.736 19.995) 38.825 5.272 ( 1.413 -0.785 -8.647) 8.796 6.506 ( 4.005 4.607 -3.407) 6.991 7.414 ( 5.590 -1.744 -4.563) 7.424 8.627 ( 0.461 10.934 0.921) 10.982 9.686 ( -0.160 -0.660 6.328) 6.365 9.984 ( -5.956 13.849 -7.595) 16.881 10.847 ( -16.879 11.616 12.341) 23.919 11.383 ( -7.543 9.121 2.327) 12.062 11.793 ( -12.250 11.404 -9.018) 19.012 12.829 ( -1.543 3.024 0.191) 3.401 14.594 ( 6.592 -6.378 3.994) 10.004 15.973 ( -8.976 -6.963 -8.487) 14.180 25.482 ( -0.800 0.757 -0.212) 1.122======================= Grid point 474 (204/488) =======================q-point: ( 0.33 0.07 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.273 ( 15.046 -7.820 7.553) 18.563 2.791 ( 14.188 -13.214 5.522) 20.159 3.484 ( 10.176 -5.391 -3.184) 11.947 4.114 ( 2.895 -7.248 -31.193) 32.154 5.328 ( 11.647 -14.887 12.582) 22.706 5.406 ( 9.757 -17.954 7.304) 21.700 6.467 ( 2.487 3.241 -2.140) 4.612 7.492 ( 4.805 -1.998 -4.724) 7.028 8.535 ( 6.021 4.674 0.329) 7.629 9.613 ( -9.589 10.256 -4.771) 14.828 9.720 ( 1.731 7.688 8.795) 11.809 10.600 ( -9.859 3.606 4.113) 11.275 11.131 ( -8.148 12.002 1.186) 14.555 11.490 ( -10.925 9.717 -5.997) 15.803 12.770 ( -1.088 2.584 0.558) 2.859 14.724 ( 2.627 -3.709 1.570) 4.809 15.941 ( -10.031 -2.125 -4.296) 11.117 25.463 ( -0.641 0.588 -0.180) 0.888======================= Grid point 475 (205/488) =======================q-point: ( 0.40 0.07 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.529 ( 14.413 -3.888 5.520) 15.916 3.137 ( 11.615 -12.258 -0.979) 16.915 3.663 ( 9.270 -4.445 -2.965) 10.700 4.097 ( -2.043 3.216 -27.075) 27.341 5.589 ( 6.365 -10.202 5.300) 13.140 5.922 ( 9.552 -21.863 14.658) 28.001 6.451 ( 1.693 0.855 -0.992) 2.140 7.553 ( 2.743 -1.132 -4.654) 5.519 8.566 ( 7.174 0.767 0.395) 7.225 9.314 ( -7.908 10.559 -6.116) 14.541 9.667 ( 4.371 6.478 17.278) 18.963 10.520 ( -6.333 -3.061 -5.212) 8.754 10.837 ( -8.313 12.887 -0.758) 15.355 11.246 ( -8.330 7.119 -1.228) 11.026 12.723 ( 0.014 2.544 0.369) 2.571 14.788 ( 0.425 -2.580 -0.854) 2.750 15.846 ( -9.370 1.035 -1.410) 9.532 25.451 ( -0.347 0.267 -0.152) 0.464======================= Grid point 476 (206/488) =======================q-point: ( 0.47 0.07 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.700 ( 13.827 1.202 4.058) 14.460 3.404 ( 8.131 -7.252 -9.816) 14.665 3.792 ( 5.826 -2.066 -4.320) 7.542 3.961 ( -0.991 5.298 -15.762) 16.658 5.779 ( 2.622 -5.403 5.962) 8.463 6.316 ( 3.452 -14.933 12.224) 19.605 6.470 ( 1.240 -1.459 -0.286) 1.936 7.555 ( -1.384 1.431 -3.914) 4.391 8.615 ( 2.186 -0.324 0.031) 2.210 9.135 ( 0.689 5.573 -3.378) 6.553 9.650 ( 6.525 4.426 18.844) 20.427 10.529 ( -8.549 -2.828 -10.474) 13.813 10.562 ( -4.277 7.230 -1.702) 8.571 11.101 ( -3.911 2.220 1.850) 4.863 12.684 ( 0.959 2.813 0.072) 2.973 14.832 ( 0.085 -3.138 -2.924) 4.290 15.726 ( -7.755 2.709 0.678) 8.243 25.447 ( -0.041 -0.077 -0.144) 0.168======================= Grid point 477 (207/488) =======================q-point: (-0.47 0.07 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.775 ( 13.085 6.607 3.530) 15.077 3.423 ( -1.176 7.268 -17.868) 19.325 3.855 ( 8.392 2.414 -4.001) 9.606 3.935 ( 0.852 -4.426 -7.055) 8.372 5.820 ( -1.928 2.106 6.390) 6.999 6.490 ( 1.762 -1.529 5.179) 5.680 6.529 ( -3.501 -5.748 5.089) 8.438 7.475 ( -5.433 2.716 -1.583) 6.278 8.629 ( -1.659 -1.871 0.461) 2.543 9.093 ( 5.634 4.791 -3.032) 7.993 9.717 ( 8.478 -0.491 17.656) 19.592 10.320 ( -8.486 5.716 -4.637) 11.233 10.606 ( -1.790 -6.943 -6.477) 9.663 11.113 ( 0.900 -5.258 -0.284) 5.342 12.648 ( 1.209 2.825 0.165) 3.077 14.898 ( 1.622 -4.639 -4.429) 6.616 15.609 ( -5.807 3.288 2.455) 7.110 25.451 ( 0.178 -0.344 -0.170) 0.423======================= Grid point 478 (208/488) =======================q-point: (-0.40 0.07 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.752 ( 12.015 11.863 3.634) 17.271 3.182 ( -5.212 13.384 -13.082) 19.428 3.827 ( 7.291 8.900 -2.490) 11.771 4.051 ( 1.247 -6.721 -11.946) 13.763 5.691 ( -5.619 9.622 6.294) 12.798 6.484 ( -5.588 2.799 8.638) 10.662 6.529 ( -1.419 1.075 0.125) 1.784 7.390 ( -5.956 -0.411 1.232) 6.096 8.663 ( -2.152 -4.402 2.484) 5.494 9.027 ( 3.144 8.385 -5.274) 10.392 9.849 ( 7.266 -0.622 11.645) 13.740 10.222 ( -4.390 -4.854 0.002) 6.545 10.731 ( 1.041 -9.554 -3.848) 10.352 11.274 ( 3.769 -10.888 -4.878) 12.512 12.616 ( 0.794 2.347 0.803) 2.605 15.009 ( 4.487 -5.765 -5.267) 9.007 15.508 ( -4.225 3.546 4.020) 6.825 25.460 ( 0.272 -0.499 -0.231) 0.613======================= Grid point 479 (209/488) =======================q-point: (-0.33 0.07 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.626 ( 9.163 16.875 2.429) 19.355 2.872 ( -5.229 15.442 -4.342) 16.871 3.716 ( 5.379 11.367 -2.549) 12.832 4.092 ( -0.564 1.097 -15.631) 15.679 5.415 ( -8.211 15.935 5.547) 18.765 6.299 ( -12.101 8.687 9.499) 17.667 6.507 ( 2.512 2.177 -1.786) 3.774 7.392 ( -3.665 -5.407 1.520) 6.706 8.720 ( -4.678 -2.609 3.967) 6.665 8.892 ( 2.167 6.020 -5.977) 8.755 9.857 ( 1.698 4.383 3.163) 5.666 10.434 ( 3.172 -18.078 7.994) 20.019 10.931 ( 2.885 -12.444 -3.482) 13.240 11.514 ( 4.756 -13.392 -8.422) 16.520 12.590 ( 0.372 1.596 1.702) 2.363 15.160 ( 8.043 -5.488 -4.972) 10.933 15.410 ( -3.777 4.366 4.446) 7.286 25.472 ( 0.265 -0.571 -0.308) 0.701======================= Grid point 480 (210/488) =======================q-point: (-0.27 0.07 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.363 ( 0.662 20.602 -1.016) 20.638 2.579 ( 0.094 16.938 7.553) 18.546 3.560 ( 4.238 12.492 -3.053) 13.540 3.938 ( -2.828 13.008 -14.650) 19.794 5.016 ( -10.437 21.730 4.731) 24.567 6.026 ( -11.939 9.463 5.048) 16.049 6.513 ( 2.887 0.186 -0.729) 2.984 7.490 ( -1.594 -8.936 -2.212) 9.342 8.571 ( -6.356 8.613 -2.729) 11.047 8.981 ( 3.706 -9.051 5.036) 11.001 9.797 ( 1.625 4.628 1.589) 5.156 10.826 ( 2.741 -22.594 8.870) 24.427 11.183 ( 3.437 -14.494 -3.448) 15.290 11.775 ( 4.281 -13.727 -10.591) 17.858 12.579 ( 0.900 0.577 2.153) 2.404 15.261 ( -1.915 7.441 12.171) 14.393 15.355 ( 8.809 -4.395 -12.916) 16.240 25.483 ( 0.209 -0.607 -0.373) 0.743======================= Grid point 481 (211/488) =======================q-point: (-0.20 0.07 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.989 ( -3.686 21.626 2.920) 22.131 2.304 ( 0.567 18.995 13.332) 23.213 3.385 ( 2.848 12.260 -3.814) 13.152 3.580 ( -1.896 24.073 -7.361) 25.244 4.505 ( -11.424 26.780 4.932) 29.530 5.792 ( -9.049 5.813 -4.380) 11.613 6.542 ( 0.899 -0.776 0.406) 1.255 7.593 ( -4.276 -4.986 -11.228) 13.009 8.440 ( -1.272 -1.522 3.928) 4.401 9.206 ( 4.961 -10.633 8.703) 14.609 9.750 ( 3.734 4.185 1.542) 5.817 11.228 ( -1.418 -22.951 5.487) 23.640 11.469 ( 2.911 -16.264 0.893) 16.547 12.018 ( 3.032 -12.855 -11.243) 17.345 12.601 ( 2.691 -0.877 1.299) 3.114 15.046 ( -7.612 13.577 8.633) 17.799 15.531 ( 15.291 -2.330 -11.658) 19.369 25.495 ( 0.147 -0.633 -0.405) 0.766======================= Grid point 482 (212/488) =======================q-point: (-0.13 0.07 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.611 ( -2.480 20.269 11.230) 23.304 1.982 ( -4.981 19.714 16.898) 26.439 3.076 ( -0.382 28.420 5.008) 28.861 3.256 ( 5.879 12.556 -4.425) 14.553 3.945 ( -9.000 27.972 4.380) 29.709 5.639 ( -6.075 2.245 -14.600) 15.972 6.539 ( -2.728 0.441 0.727) 2.857 7.488 ( -7.637 6.116 -15.415) 18.258 8.678 ( 3.574 -22.518 9.917) 24.864 9.422 ( 5.006 -6.502 8.132) 11.552 9.771 ( 9.728 -0.537 4.553) 10.754 11.557 ( -3.847 -19.310 -1.716) 19.764 11.761 ( -2.415 -16.359 8.990) 18.822 12.248 ( 2.704 -14.089 -9.003) 16.936 12.664 ( 4.575 -2.075 -0.638) 5.064 14.668 ( -10.705 22.424 5.235) 25.394 15.681 ( 17.626 2.796 -13.529) 22.395 25.506 ( 0.098 -0.630 -0.395) 0.750======================= Grid point 483 (213/488) =======================q-point: (-0.07 0.07 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.335 ( 1.843 14.239 20.797) 25.272 1.603 ( -11.267 18.367 21.150) 30.193 2.647 ( 10.902 28.937 20.978) 37.366 3.138 ( 3.859 7.457 -4.947) 9.745 3.445 ( -2.974 24.356 1.370) 24.576 5.546 ( -3.791 0.209 -22.152) 22.475 6.482 ( -3.938 1.583 0.573) 4.282 7.290 ( -3.204 7.219 -9.670) 12.485 9.140 ( -3.643 -25.990 6.866) 27.128 9.516 ( 4.151 0.348 3.425) 5.393 10.093 ( 18.096 -23.044 12.932) 32.027 11.772 ( -4.984 -11.635 -2.257) 12.858 11.955 ( -8.858 -12.447 5.700) 16.306 12.539 ( -0.270 -19.748 -2.481) 19.905 12.750 ( 6.752 -1.621 -1.418) 7.088 14.097 ( -7.434 35.145 -0.059) 35.923 15.720 ( 15.840 11.333 -15.009) 24.589 25.516 ( 0.062 -0.543 -0.354) 0.651======================= Grid point 486 (214/488) =======================q-point: ( 0.13 0.13 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 488Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.473 ( 26.622 0.000 11.863) 29.145 1.797 ( 17.908 0.000 15.084) 23.414 3.102 ( 8.532 0.000 -6.796) 10.908 3.104 ( 14.634 0.000 19.257) 24.187 3.580 ( 30.996 0.000 6.340) 31.638 5.343 ( -0.270 -0.000 -22.880) 22.881 6.652 ( 7.939 0.000 -10.563) 13.214 7.321 ( 8.266 0.000 -0.023) 8.266 9.296 ( -11.775 -0.000 2.498) 12.037 9.486 ( -3.463 -0.000 0.936) 3.587 10.502 ( -14.427 -0.000 4.217) 15.031 11.539 ( -24.965 -0.000 7.486) 26.063 11.711 ( -7.207 -0.000 -0.937) 7.268 12.378 ( -19.257 -0.000 -8.383) 21.002 13.022 ( -1.195 -0.000 0.281) 1.228 14.167 ( 24.245 0.000 7.702) 25.439 15.519 ( -0.355 -0.000 -15.071) 15.075 25.515 ( -0.789 -0.000 -0.222) 0.819======================= Grid point 487 (215/488) =======================q-point: ( 0.20 0.13 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.774 ( 27.352 -0.990 8.358) 28.617 2.065 ( 18.827 -7.353 13.162) 24.119 3.199 ( 10.964 -1.560 -6.560) 12.872 3.338 ( 13.946 -8.738 2.058) 16.586 4.023 ( 28.985 -13.438 13.296) 34.605 5.311 ( 1.757 1.308 -17.961) 18.094 6.678 ( 6.930 3.878 -9.613) 12.469 7.404 ( 8.970 0.658 -0.833) 9.033 9.050 ( -9.555 11.942 0.525) 15.303 9.531 ( -4.262 -6.968 1.202) 8.256 10.347 ( -6.186 6.499 -1.046) 9.033 11.218 ( -27.208 7.595 12.374) 30.840 11.599 ( -8.303 3.672 0.063) 9.079 12.119 ( -18.050 6.157 -8.782) 20.996 12.962 ( -0.779 4.646 -0.082) 4.712 14.419 ( 16.672 -3.253 8.526) 19.006 15.587 ( -6.469 -11.927 -13.698) 19.281 25.503 ( -1.002 0.373 -0.200) 1.087======================= Grid point 488 (216/488) =======================q-point: ( 0.27 0.13 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.077 ( 24.760 -2.978 8.175) 26.245 2.414 ( 18.080 -9.405 11.101) 23.207 3.353 ( 13.350 -2.940 -4.980) 14.549 3.659 ( 11.390 -14.730 -15.955) 24.521 4.588 ( 22.883 -19.710 16.642) 34.483 5.295 ( 4.446 1.466 -10.529) 11.523 6.646 ( 5.771 6.003 -6.622) 10.639 7.474 ( 8.427 1.076 -1.623) 8.649 8.796 ( -2.468 10.127 -1.405) 10.517 9.599 ( -5.091 -6.206 1.064) 8.098 10.136 ( -5.391 11.851 -5.845) 14.271 10.838 ( -22.482 8.576 14.468) 28.077 11.435 ( -8.420 5.977 1.675) 10.461 11.815 ( -15.114 8.731 -8.059) 19.225 12.878 ( -0.625 4.285 -0.199) 4.335 14.615 ( 10.253 -2.649 6.444) 12.397 15.686 ( -11.789 -12.052 -9.768) 19.484 25.484 ( -1.018 0.569 -0.194) 1.182======================= Grid point 489 (217/488) =======================q-point: ( 0.33 0.13 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.388 ( 23.443 -3.842 8.150) 25.115 2.755 ( 15.187 -9.953 7.349) 19.588 3.536 ( 13.907 -3.017 -4.503) 14.926 3.960 ( 7.090 -12.175 -26.482) 29.997 5.154 ( 15.522 -21.947 16.727) 31.661 5.345 ( 7.321 -2.066 -2.277) 7.940 6.586 ( 4.597 6.354 -3.710) 8.676 7.534 ( 7.058 0.731 -1.951) 7.359 8.675 ( 4.381 5.509 -2.374) 7.428 9.598 ( -9.603 0.150 -2.967) 10.052 9.872 ( -2.671 10.584 0.107) 10.917 10.557 ( -14.762 4.769 8.767) 17.819 11.232 ( -8.039 9.130 2.118) 12.348 11.514 ( -13.205 8.852 -5.444) 16.804 12.813 ( 0.353 3.186 0.070) 3.206 14.728 ( 5.147 -1.095 3.500) 6.320 15.719 ( -13.816 -8.710 -5.716) 17.303 25.465 ( -0.818 0.528 -0.195) 0.993======================= Grid point 490 (218/488) =======================q-point: ( 0.40 0.13 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.683 ( 22.948 -2.063 7.470) 24.221 3.068 ( 12.185 -10.390 2.421) 16.195 3.700 ( 10.105 -2.568 -7.157) 12.646 4.104 ( 6.393 -1.592 -24.359) 25.234 5.506 ( 7.182 -7.722 2.369) 10.808 5.658 ( 7.941 -21.579 14.680) 27.281 6.529 ( 3.943 4.838 -1.225) 6.360 7.579 ( 4.501 0.776 -2.126) 5.038 8.670 ( 7.030 2.807 -2.909) 8.109 9.383 ( -9.603 8.562 -6.104) 14.240 9.793 ( 2.038 2.722 11.171) 11.677 10.399 ( -10.456 -0.272 -1.335) 10.545 10.969 ( -8.272 12.647 0.031) 15.112 11.260 ( -10.670 6.487 -0.404) 12.494 12.779 ( 2.339 2.684 0.073) 3.561 14.773 ( 1.461 -0.402 0.834) 1.729 15.691 ( -13.410 -5.323 -2.638) 14.667 25.451 ( -0.480 0.300 -0.203) 0.601======================= Grid point 491 (219/488) =======================q-point: ( 0.47 0.13 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.923 ( 22.355 1.987 6.604) 23.395 3.342 ( 9.422 -9.108 -3.694) 13.616 3.778 ( 1.115 -1.275 -13.011) 13.121 4.122 ( 12.952 6.441 -12.289) 18.980 5.701 ( 3.103 -7.605 4.651) 9.440 6.057 ( 0.320 -18.914 11.070) 21.918 6.508 ( 3.806 2.285 0.771) 4.505 7.576 ( 0.025 2.551 -1.957) 3.215 8.667 ( 2.623 3.510 -3.686) 5.726 9.217 ( 0.392 4.087 -2.110) 4.616 9.795 ( 4.256 3.077 15.523) 16.388 10.345 ( -8.936 -5.030 -9.919) 14.267 10.673 ( -7.665 12.120 -1.341) 14.403 11.090 ( -7.406 3.078 2.812) 8.499 12.764 ( 4.216 3.384 -0.102) 5.407 14.790 ( -0.113 -1.467 -1.143) 1.864 15.629 ( -11.655 -2.741 -0.428) 11.980 25.445 ( -0.133 -0.001 -0.227) 0.263======================= Grid point 492 (220/488) =======================q-point: ( 0.53 0.13 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.075 ( 21.007 7.034 6.431) 23.068 3.482 ( 3.128 1.684 -14.365) 14.797 3.790 ( -0.477 -5.561 -9.555) 11.066 4.133 ( 16.815 9.309 -4.563) 19.754 5.802 ( -2.010 -2.603 6.049) 6.885 6.309 ( -6.386 -13.050 8.558) 16.862 6.526 ( 3.379 0.397 1.555) 3.741 7.486 ( -4.737 4.719 -0.209) 6.689 8.621 ( -0.115 1.895 -2.206) 2.911 9.209 ( 5.820 2.611 -2.015) 6.690 9.830 ( 6.805 1.615 16.627) 18.038 10.283 ( -11.941 1.264 -10.807) 16.154 10.494 ( -2.521 -0.327 -2.930) 3.879 11.032 ( -3.735 -2.851 1.565) 4.952 12.744 ( 4.863 4.658 -0.003) 6.734 14.834 ( 0.984 -4.009 -2.435) 4.792 15.555 ( -9.361 -1.117 1.368) 9.526 25.447 ( 0.110 -0.265 -0.276) 0.398======================= Grid point 493 (221/488) =======================q-point: (-0.40 0.13 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.125 ( 18.658 11.972 7.247) 23.323 3.334 ( -1.296 11.884 -15.230) 19.361 3.909 ( -0.593 -7.354 -8.939) 11.590 4.126 ( 17.248 10.727 -4.412) 20.785 5.761 ( -5.274 4.119 6.576) 9.382 6.379 ( -11.796 -4.991 8.336) 15.282 6.553 ( 2.443 0.373 0.139) 2.475 7.359 ( -5.698 3.244 3.160) 7.279 8.609 ( -0.394 -0.764 0.487) 0.988 9.181 ( 3.389 6.756 -5.491) 9.343 9.932 ( 8.567 -1.344 15.743) 17.973 10.111 ( -10.419 1.113 -6.483) 12.321 10.563 ( -1.343 -8.817 -4.503) 9.991 11.117 ( -0.031 -9.467 -2.980) 9.925 12.706 ( 4.178 5.217 0.596) 6.711 14.944 ( 4.155 -6.575 -3.303) 8.449 15.485 ( -7.245 -0.080 3.140) 7.896 25.454 ( 0.203 -0.440 -0.347) 0.596======================= Grid point 494 (222/488) =======================q-point: (-0.33 0.13 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.057 ( 7.819 19.760 -6.152) 22.123 3.075 ( 5.451 12.993 4.199) 14.703 3.919 ( -0.986 3.835 -6.163) 7.325 4.138 ( 13.785 5.919 -11.833) 19.107 5.583 ( -6.112 11.338 6.547) 14.449 6.271 ( -15.071 2.690 8.672) 17.595 6.555 ( 1.385 1.477 -1.259) 2.385 7.304 ( -3.017 -1.487 4.995) 6.022 8.633 ( -1.922 -2.808 3.341) 4.769 9.038 ( -0.065 10.006 -8.055) 12.845 9.938 ( -2.111 3.969 1.510) 4.742 10.195 ( 2.620 -13.371 7.879) 15.739 10.728 ( -0.372 -12.545 -3.845) 13.126 11.315 ( 1.987 -13.204 -7.410) 15.271 12.662 ( 3.167 4.501 1.523) 5.711 15.122 ( 7.895 -7.962 -4.429) 12.056 15.417 ( -5.898 1.278 5.247) 7.998 25.464 ( 0.170 -0.537 -0.423) 0.704======================= Grid point 495 (223/488) =======================q-point: (-0.27 0.13 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.727 ( 0.222 21.133 -5.426) 21.820 2.912 ( 7.395 17.966 9.967) 21.836 3.790 ( 0.498 9.758 -4.136) 10.610 4.116 ( 9.605 9.546 -17.123) 21.831 5.284 ( -5.660 18.677 6.903) 20.701 6.038 ( -15.571 7.172 7.235) 18.607 6.543 ( 1.114 0.948 -0.973) 1.757 7.356 ( -0.338 -5.604 2.473) 6.134 8.608 ( -6.660 3.792 -0.638) 7.690 8.931 ( 2.703 -0.468 -0.132) 2.747 9.864 ( -1.649 2.508 0.251) 3.012 10.499 ( 1.346 -18.357 7.749) 19.971 10.954 ( 0.504 -14.880 -3.244) 15.237 11.555 ( 1.792 -14.370 -10.555) 17.920 12.632 ( 3.031 2.820 2.234) 4.705 15.304 ( -3.543 -0.504 -3.290) 4.861 15.368 ( 8.983 -3.545 4.465) 10.639 25.474 ( 0.071 -0.598 -0.480) 0.770======================= Grid point 496 (224/488) =======================q-point: (-0.20 0.13 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.358 ( 0.975 23.166 0.066) 23.186 2.650 ( 0.184 19.827 11.055) 22.701 3.608 ( 0.471 11.890 -3.648) 12.446 3.957 ( 9.841 18.189 -16.448) 26.424 4.872 ( -4.579 25.618 8.836) 27.483 5.780 ( -12.934 6.364 1.173) 14.463 6.543 ( 0.080 0.051 0.137) 0.167 7.458 ( -0.651 -5.972 -4.424) 7.460 8.437 ( -5.881 4.894 -2.054) 7.922 9.088 ( 4.842 -10.413 9.307) 14.782 9.824 ( 0.503 1.533 -0.134) 1.619 10.827 ( -3.675 -20.867 5.755) 21.956 11.216 ( 0.466 -16.091 -0.754) 16.115 11.788 ( 0.147 -14.203 -12.499) 18.921 12.641 ( 4.139 0.682 2.083) 4.684 15.155 ( -8.458 8.061 5.014) 12.715 15.605 ( 15.308 -6.240 -4.986) 17.266 25.484 ( -0.033 -0.661 -0.499) 0.829======================= Grid point 497 (225/488) =======================q-point: (-0.13 0.13 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.993 ( 3.032 23.051 6.246) 24.074 2.291 ( -6.235 21.339 12.780) 25.643 3.399 ( 0.311 12.938 -3.890) 13.513 3.687 ( 12.410 24.636 -9.780) 29.267 4.390 ( -0.743 29.819 10.980) 31.785 5.587 ( -9.183 2.930 -8.361) 12.760 6.528 ( -2.291 0.829 0.861) 2.584 7.470 ( -3.691 1.265 -11.909) 12.532 8.429 ( -1.249 -9.505 3.939) 10.365 9.342 ( 5.519 -10.754 11.506) 16.688 9.836 ( 4.174 -0.945 0.322) 4.292 11.131 ( -8.308 -22.294 3.791) 24.092 11.475 ( -2.623 -15.306 3.855) 16.001 11.996 ( -1.644 -14.167 -13.092) 19.359 12.697 ( 5.437 -1.220 1.123) 5.684 14.883 ( -9.521 14.744 5.222) 18.311 15.839 ( 16.275 -3.196 -8.697) 18.728 25.494 ( -0.112 -0.726 -0.471) 0.872======================= Grid point 498 (226/488) =======================q-point: (-0.07 0.13 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.685 ( 4.144 20.151 12.699) 24.176 1.882 ( -5.150 21.306 16.826) 27.633 3.178 ( 4.324 15.491 -3.438) 16.447 3.397 ( 11.008 22.518 -0.097) 25.064 3.932 ( 6.967 29.791 10.348) 32.298 5.471 ( -5.889 0.104 -17.081) 18.068 6.478 ( -2.751 1.528 0.621) 3.208 7.355 ( -1.851 5.392 -11.073) 12.454 8.697 ( -2.667 -21.719 5.951) 22.677 9.535 ( 4.169 -4.233 7.378) 9.472 9.981 ( 8.195 -9.747 3.614) 13.238 11.411 ( -10.968 -22.121 3.318) 24.913 11.655 ( -8.036 -11.457 6.716) 15.522 12.200 ( -4.203 -15.906 -11.010) 19.796 12.786 ( 5.590 -2.418 0.404) 6.104 14.500 ( -5.938 21.754 4.059) 22.912 15.980 ( 13.458 3.427 -13.336) 19.254 25.505 ( -0.174 -0.749 -0.405) 0.868======================= Grid point 502 (227/488) =======================q-point: ( 0.20 0.20 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 488Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.086 ( 30.304 0.000 4.744) 30.673 2.187 ( 17.266 0.000 10.245) 20.077 3.285 ( 11.126 0.000 -5.649) 12.478 3.414 ( 14.261 0.000 -0.818) 14.285 4.224 ( 28.693 0.000 11.916) 31.069 5.334 ( 5.172 0.000 -14.261) 15.170 6.760 ( 5.582 0.000 -10.445) 11.842 7.514 ( 10.859 0.000 -0.257) 10.862 9.054 ( -10.522 -0.000 -4.014) 11.262 9.411 ( -4.317 -0.000 1.886) 4.711 10.347 ( -4.542 -0.000 -1.484) 4.779 11.014 ( -28.809 -0.000 14.034) 32.045 11.535 ( -9.845 -0.000 -1.861) 10.019 11.971 ( -18.008 -0.000 -8.766) 20.028 12.996 ( -1.515 -0.000 0.564) 1.617 14.565 ( 13.920 0.000 10.598) 17.495 15.397 ( -7.486 -0.000 -13.103) 15.091 25.494 ( -1.183 -0.000 -0.198) 1.200======================= Grid point 503 (228/488) =======================q-point: ( 0.27 0.20 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.328 ( 23.879 1.037 6.632) 24.805 2.477 ( 20.053 -7.022 7.336) 22.477 3.425 ( 12.930 -3.602 -5.317) 14.437 3.590 ( 12.272 -5.445 -11.144) 17.448 4.591 ( 23.145 -9.829 12.487) 28.076 5.375 ( 8.794 1.557 -8.681) 12.455 6.767 ( 4.175 3.223 -7.855) 9.461 7.604 ( 11.001 2.370 -0.412) 11.261 8.895 ( -4.698 6.254 -6.316) 10.053 9.429 ( -5.852 -6.126 0.844) 8.514 10.234 ( -6.271 7.114 -4.289) 10.408 10.726 ( -23.439 3.793 14.735) 27.945 11.411 ( -10.041 2.264 -1.022) 10.344 11.755 ( -15.763 4.093 -6.953) 17.708 12.945 ( -0.901 3.798 0.456) 3.930 14.705 ( 9.852 -0.463 9.134) 13.442 15.370 ( -11.495 -8.685 -10.347) 17.738 25.480 ( -1.181 0.271 -0.219) 1.231======================= Grid point 504 (229/488) =======================q-point: ( 0.33 0.20 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.590 ( 23.184 -2.923 7.918) 24.673 2.782 ( 16.307 -6.553 6.142) 18.617 3.622 ( 13.743 -3.075 -5.561) 15.141 3.809 ( 9.409 -11.005 -20.151) 24.814 5.014 ( 15.151 -15.077 12.060) 24.541 5.439 ( 11.491 1.891 -2.533) 11.917 6.723 ( 3.041 5.228 -4.345) 7.447 7.656 ( 9.709 3.740 -0.218) 10.407 8.785 ( 2.302 4.109 -7.032) 8.464 9.455 ( -8.712 -4.565 -1.865) 10.010 10.002 ( -6.441 10.025 -2.082) 12.096 10.488 ( -15.276 3.860 9.992) 18.657 11.262 ( -8.953 4.293 0.759) 9.958 11.505 ( -13.816 7.020 -4.253) 16.070 12.879 ( 0.815 3.583 0.361) 3.692 14.790 ( 5.627 0.946 5.256) 7.757 15.395 ( -14.677 -10.864 -6.067) 19.242 25.463 ( -0.963 0.344 -0.252) 1.053======================= Grid point 505 (230/488) =======================q-point: ( 0.40 0.20 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.897 ( 24.186 -3.559 8.616) 25.920 3.045 ( 12.310 -7.356 3.386) 14.735 3.745 ( 6.901 -0.686 -13.016) 14.749 4.081 ( 13.029 -9.906 -15.790) 22.742 5.402 ( 6.924 -15.734 7.390) 18.712 5.546 ( 10.718 -1.864 4.955) 11.954 6.655 ( 2.523 5.456 -1.136) 6.118 7.674 ( 6.874 4.135 0.093) 8.023 8.773 ( 5.886 2.197 -7.847) 10.053 9.369 ( -9.794 2.356 -3.736) 10.744 9.855 ( -0.040 3.066 4.192) 5.194 10.309 ( -11.428 2.618 2.751) 12.042 11.071 ( -8.693 9.089 -0.300) 12.580 11.255 ( -11.540 6.460 0.563) 13.237 12.853 ( 3.567 2.264 0.159) 4.228 14.804 ( 1.591 1.942 1.729) 3.048 15.412 ( -15.184 -9.795 -2.458) 18.235 25.450 ( -0.597 0.229 -0.292) 0.703======================= Grid point 506 (231/488) =======================q-point: ( 0.47 0.20 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.192 ( 24.789 -0.437 7.543) 25.915 3.288 ( 9.517 -8.451 1.055) 12.772 3.757 ( 0.350 0.632 -17.458) 17.472 4.319 ( 17.857 -1.580 -9.446) 20.264 5.632 ( 4.452 -5.477 2.151) 7.379 5.771 ( 0.176 -15.397 10.402) 18.583 6.601 ( 2.575 3.904 1.287) 4.851 7.646 ( 2.108 5.137 0.387) 5.567 8.755 ( 2.131 4.485 -8.821) 10.123 9.266 ( -0.083 1.624 0.070) 1.627 9.870 ( 3.187 -0.491 8.378) 8.977 10.187 ( -9.205 -0.771 -5.419) 10.710 10.792 ( -9.179 12.138 -1.933) 15.340 11.072 ( -8.697 4.114 4.239) 10.513 12.868 ( 6.385 2.327 -0.232) 6.800 14.780 ( -0.826 0.890 -0.171) 1.226 15.409 ( -13.863 -7.670 -0.281) 15.846 25.443 ( -0.215 0.013 -0.342) 0.404======================= Grid point 507 (232/488) =======================q-point: ( 0.53 0.20 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.408 ( 22.123 4.493 6.825) 23.584 3.496 ( 7.356 -4.829 -5.226) 10.234 3.713 ( -1.008 -0.244 -14.027) 14.065 4.459 ( 20.553 6.490 -5.902) 22.347 5.729 ( -1.659 -3.922 5.419) 6.892 6.009 ( -7.143 -15.125 7.047) 18.151 6.581 ( 2.325 1.860 2.276) 3.748 7.540 ( -3.079 6.821 1.641) 7.661 8.672 ( 0.497 4.216 -5.878) 7.251 9.292 ( 5.432 0.700 0.312) 5.486 9.935 ( 6.102 0.055 12.089) 13.542 10.121 ( -9.905 -2.715 -12.408) 16.107 10.531 ( -5.949 8.102 -1.540) 10.169 10.958 ( -6.912 0.344 3.548) 7.777 12.885 ( 7.550 4.404 -0.430) 8.751 14.781 ( -0.220 -2.444 -0.746) 2.565 15.392 ( -11.736 -5.669 0.996) 13.071 25.444 ( 0.059 -0.201 -0.405) 0.456======================= Grid point 508 (233/488) =======================q-point: (-0.40 0.20 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.436 ( 4.683 9.134 -3.822) 10.953 3.571 ( 17.348 7.774 -3.711) 19.369 3.768 ( 0.129 -6.307 -5.521) 8.383 4.504 ( 20.398 11.573 -5.164) 24.015 5.743 ( -5.038 -0.832 6.712) 8.434 6.133 ( -12.739 -10.381 6.600) 17.709 6.583 ( 1.297 0.647 1.343) 1.976 7.391 ( -4.284 6.097 4.770) 8.848 8.626 ( 1.285 2.053 -2.054) 3.176 9.299 ( 3.034 4.297 -3.593) 6.370 9.995 ( -7.508 1.401 -6.578) 10.080 10.034 ( 3.589 -0.964 9.271) 9.988 10.443 ( -1.752 -2.054 -3.377) 4.323 10.957 ( -3.905 -6.893 -0.396) 7.933 12.863 ( 6.428 6.702 -0.075) 9.286 14.868 ( 3.127 -6.457 -0.825) 7.222 15.369 ( -9.473 -4.107 2.051) 10.526 25.449 ( 0.164 -0.353 -0.474) 0.614======================= Grid point 509 (234/488) =======================q-point: (-0.33 0.20 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.269 ( 0.664 12.124 -7.822) 14.444 3.538 ( 15.845 17.419 6.863) 24.527 3.844 ( -2.837 -5.254 -10.235) 11.849 4.482 ( 18.668 13.138 -7.136) 23.917 5.676 ( -3.984 4.629 6.900) 9.215 6.115 ( -16.095 -3.747 7.652) 18.211 6.579 ( -0.356 0.715 -0.260) 0.840 7.298 ( -1.003 2.322 7.594) 8.004 8.612 ( 0.281 0.779 1.562) 1.768 9.184 ( -1.141 9.309 -7.978) 12.313 9.874 ( -11.022 -1.689 -7.154) 13.248 10.155 ( 9.611 -2.160 13.171) 16.447 10.519 ( -1.962 -9.462 -4.273) 10.566 11.098 ( -0.801 -12.491 -5.391) 13.629 12.800 ( 4.430 7.048 0.805) 8.364 15.048 ( 6.629 -8.937 -1.456) 11.222 15.345 ( -7.297 -2.717 3.568) 8.565 25.457 ( 0.118 -0.444 -0.536) 0.705======================= Grid point 510 (235/488) =======================q-point: (-0.27 0.20 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.035 ( 1.597 16.223 -5.584) 17.231 3.328 ( 4.892 21.095 9.179) 23.520 3.848 ( -1.380 0.826 -9.793) 9.925 4.425 ( 15.744 12.986 -12.596) 23.983 5.524 ( -0.618 12.307 7.546) 14.449 5.968 ( -16.617 2.500 8.366) 18.771 6.557 ( -0.930 0.651 -0.653) 1.309 7.313 ( 2.481 -1.496 6.581) 7.191 8.594 ( -2.915 1.453 2.354) 4.019 9.001 ( -1.047 7.231 -5.609) 9.211 9.810 ( -8.475 -2.928 -4.570) 10.064 10.334 ( 7.068 -7.198 9.614) 13.935 10.697 ( -1.535 -14.327 -3.260) 14.773 11.311 ( -0.223 -14.245 -9.274) 16.999 12.734 ( 3.178 5.226 1.752) 6.362 15.229 ( -1.493 -4.337 -2.772) 5.360 15.366 ( 4.338 -5.927 5.262) 9.035 25.464 ( -0.014 -0.509 -0.568) 0.763======================= Grid point 511 (236/488) =======================q-point: (-0.20 0.20 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.750 ( 3.805 20.563 -1.954) 21.003 2.985 ( -4.602 21.055 9.209) 23.437 3.759 ( -0.576 7.324 -6.658) 9.914 4.324 ( 13.284 14.265 -19.057) 27.260 5.270 ( 2.785 21.016 10.754) 23.771 5.749 ( -13.969 5.573 6.124) 16.238 6.541 ( -1.045 0.216 -0.196) 1.085 7.391 ( 3.188 -3.029 1.179) 4.553 8.470 ( -5.990 6.637 -2.894) 9.397 9.002 ( 3.514 -5.720 6.828) 9.575 9.785 ( -5.748 -3.359 -3.441) 7.495 10.546 ( 1.703 -11.321 5.794) 12.831 10.941 ( -1.017 -16.417 -0.965) 16.477 11.526 ( -1.566 -14.248 -11.910) 18.636 12.704 ( 3.043 2.244 2.156) 4.353 15.166 ( -8.087 3.106 1.732) 8.835 15.608 ( 11.866 -9.379 0.148) 15.126 25.472 ( -0.165 -0.590 -0.556) 0.827======================= Grid point 512 (237/488) =======================q-point: (-0.13 0.20 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.429 ( 4.818 23.233 2.301) 23.839 2.587 ( -7.312 20.241 9.927) 23.701 3.583 ( -1.648 11.054 -4.916) 12.209 4.161 ( 13.126 18.004 -21.557) 31.002 4.925 ( 6.931 27.696 15.775) 32.618 5.545 ( -9.745 4.754 -0.181) 10.845 6.519 ( -2.257 0.743 0.257) 2.390 7.446 ( 1.096 -0.440 -6.414) 6.522 8.342 ( -2.820 0.754 -0.546) 2.969 9.220 ( 5.246 -11.811 13.167) 18.449 9.803 ( -2.489 -4.529 -3.216) 6.086 10.752 ( -4.320 -14.348 3.953) 15.497 11.199 ( -2.291 -15.825 1.769) 16.088 11.718 ( -3.421 -13.969 -13.182) 19.508 12.726 ( 3.143 -0.626 1.839) 3.695 14.988 ( -8.582 8.478 3.007) 12.432 15.874 ( 11.449 -8.017 -3.223) 14.343 25.479 ( -0.293 -0.699 -0.499) 0.908======================= Grid point 513 (238/488) =======================q-point: (-0.07 0.20 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.073 ( -1.630 22.055 7.525) 23.360 2.242 ( 4.503 20.031 11.904) 23.732 3.369 ( -1.622 11.060 -4.787) 12.161 3.932 ( 13.963 22.388 -18.288) 32.103 4.561 ( 13.014 30.200 18.806) 37.883 5.403 ( -6.265 1.993 -8.164) 10.482 6.474 ( -2.512 1.217 0.054) 2.792 7.407 ( 0.388 3.710 -9.706) 10.398 8.417 ( -0.395 -10.732 2.795) 11.097 9.478 ( 4.718 -9.424 12.356) 16.240 9.890 ( 0.729 -7.962 -2.772) 8.463 10.954 ( -9.994 -17.857 5.722) 21.248 11.404 ( -5.285 -12.554 3.220) 13.997 11.888 ( -5.485 -14.058 -12.690) 19.717 12.784 ( 2.365 -2.459 1.306) 3.653 14.734 ( -5.741 13.275 3.464) 14.872 16.066 ( 7.572 -3.529 -7.329) 11.113 25.488 ( -0.401 -0.806 -0.411) 0.989======================= Grid point 518 (239/488) =======================q-point: ( 0.27 0.27 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 488Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.532 ( 14.683 0.000 7.160) 16.336 2.659 ( 25.004 0.000 3.811) 25.293 3.502 ( 11.696 0.000 -4.745) 12.622 3.661 ( 11.994 0.000 -12.364) 17.226 4.748 ( 20.433 0.000 9.511) 22.538 5.490 ( 12.862 0.000 -4.902) 13.765 6.813 ( 1.665 0.000 -5.620) 5.861 7.744 ( 11.975 0.000 -0.639) 11.992 8.885 ( -4.120 -0.000 -12.040) 12.726 9.326 ( -4.753 -0.000 3.033) 5.639 10.210 ( -10.111 -0.000 -3.286) 10.631 10.566 ( -16.975 -0.000 12.757) 21.235 11.318 ( -10.947 -0.000 -2.738) 11.284 11.629 ( -14.295 -0.000 -4.555) 15.003 12.965 ( -1.676 -0.000 0.737) 1.831 14.805 ( 7.671 0.000 10.278) 12.825 15.168 ( -11.879 -0.000 -10.004) 15.530 25.469 ( -1.185 -0.000 -0.270) 1.215======================= Grid point 519 (240/488) =======================q-point: ( 0.33 0.27 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.722 ( 14.549 -4.759 7.222) 16.926 2.905 ( 19.567 -1.420 3.937) 20.010 3.672 ( 12.725 -6.269 -4.529) 14.890 3.764 ( 9.017 -2.005 -16.712) 19.095 5.000 ( 15.403 -6.594 7.763) 18.466 5.608 ( 14.697 2.245 -1.108) 14.908 6.793 ( -0.593 2.219 -1.997) 3.044 7.830 ( 11.351 3.687 -0.519) 11.947 8.828 ( 0.284 1.190 -13.638) 13.693 9.311 ( -6.105 -2.998 1.934) 7.071 10.051 ( -9.096 5.235 -0.898) 10.533 10.423 ( -10.897 2.841 7.589) 13.580 11.202 ( -10.172 0.505 -1.998) 10.379 11.458 ( -12.746 3.796 -1.792) 13.420 12.931 ( -0.585 1.994 0.732) 2.203 14.874 ( 5.054 1.378 5.982) 7.952 15.089 ( -13.853 -6.885 -5.339) 16.365 25.457 ( -0.983 0.133 -0.331) 1.046======================= Grid point 520 (241/488) =======================q-point: ( 0.40 0.27 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.996 ( 13.950 -8.921 8.751) 18.729 3.113 ( 16.035 -2.452 2.092) 16.356 3.793 ( 6.130 1.291 -15.255) 16.491 3.998 ( 13.262 -13.481 -7.999) 20.533 5.274 ( 9.394 -9.786 5.772) 14.742 5.698 ( 12.933 3.840 2.016) 13.641 6.731 ( -2.006 3.161 1.273) 3.955 7.848 ( 9.156 6.423 0.187) 11.186 8.824 ( 3.389 -0.060 -14.506) 14.897 9.284 ( -6.612 -1.366 1.163) 6.851 9.911 ( -1.663 4.053 0.651) 4.429 10.268 ( -8.947 4.246 3.850) 10.626 11.082 ( -9.140 3.097 -1.677) 9.795 11.248 ( -11.401 6.211 1.524) 13.072 12.913 ( 2.373 0.945 0.535) 2.610 14.863 ( 0.272 3.099 -1.447) 3.431 15.094 ( -13.151 -9.619 1.953) 16.410 25.446 ( -0.624 0.104 -0.396) 0.746======================= Grid point 521 (242/488) =======================q-point: ( 0.47 0.27 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.252 ( 7.897 -6.857 2.831) 10.835 3.373 ( 19.708 -7.066 6.510) 21.925 3.774 ( 2.418 3.134 -16.666) 17.130 4.358 ( 15.410 -12.473 -6.095) 20.741 5.516 ( 3.274 -10.725 3.517) 11.753 5.739 ( 6.988 3.745 4.705) 9.219 6.663 ( -2.289 2.544 3.367) 4.800 7.797 ( 5.071 8.464 1.095) 9.927 8.813 ( 0.525 2.422 -14.885) 15.090 9.270 ( 0.576 -1.572 3.266) 3.671 9.885 ( 1.424 -0.242 -0.229) 1.463 10.135 ( -5.118 3.166 1.758) 6.270 10.874 ( -10.223 9.537 -2.753) 14.249 11.064 ( -8.713 4.365 4.774) 10.852 12.951 ( 5.986 -0.187 -0.074) 5.990 14.796 ( -2.710 2.455 -2.789) 4.599 15.129 ( -11.897 -8.946 3.477) 15.286 25.440 ( -0.231 -0.027 -0.461) 0.517======================= Grid point 522 (243/488) =======================q-point: ( 0.53 0.27 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.430 ( 4.632 -7.411 -2.633) 9.128 3.680 ( 16.252 1.830 7.723) 18.086 3.710 ( 4.751 -1.375 -13.804) 14.664 4.672 ( 18.160 -5.266 -5.462) 19.681 5.686 ( -0.012 -4.722 2.111) 5.172 5.742 ( -4.466 -4.337 7.089) 9.434 6.615 ( -2.245 1.108 3.890) 4.626 7.670 ( 0.396 10.165 2.540) 10.485 8.734 ( -0.106 3.764 -10.638) 11.285 9.340 ( 4.789 -1.387 3.084) 5.863 9.912 ( -3.084 -3.307 -6.089) 7.584 10.083 ( 3.228 2.019 3.254) 5.009 10.604 ( -8.584 9.555 -1.910) 12.985 10.922 ( -7.763 3.456 4.581) 9.654 13.017 ( 8.073 1.477 -0.811) 8.247 14.747 ( -2.080 -0.593 -1.348) 2.549 15.159 ( -10.746 -7.758 2.883) 13.563 25.441 ( 0.063 -0.169 -0.525) 0.555======================= Grid point 523 (244/488) =======================q-point: ( 0.60 0.27 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.562 ( -2.596 -2.350 -10.715) 11.273 3.614 ( 6.206 1.729 -7.523) 9.904 3.911 ( 16.464 2.653 8.751) 18.833 4.856 ( 19.809 5.517 -5.892) 21.390 5.679 ( -4.476 -0.803 6.894) 8.259 5.830 ( -11.532 -11.073 4.398) 16.581 6.588 ( -2.798 -0.054 2.833) 3.982 7.501 ( -0.674 9.531 5.431) 10.990 8.679 ( 1.683 2.570 -5.764) 6.532 9.375 ( 1.951 2.150 0.257) 2.914 9.870 ( -10.082 -0.320 -11.823) 15.541 10.137 ( 9.904 0.944 7.774) 12.626 10.432 ( -3.357 2.895 -2.352) 5.018 10.829 ( -6.622 -1.518 2.500) 7.239 13.037 ( 6.949 5.523 -1.033) 8.936 14.793 ( 1.750 -5.575 0.519) 5.866 15.181 ( -9.261 -6.571 2.108) 11.549 25.445 ( 0.185 -0.265 -0.582) 0.665======================= Grid point 524 (245/488) =======================q-point: (-0.33 0.27 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.449 ( 1.235 8.662 -10.098) 13.361 3.708 ( -1.759 -5.612 -7.717) 9.703 3.939 ( 11.671 11.854 8.165) 18.531 4.871 ( 16.263 12.639 -7.289) 21.849 5.677 ( -2.300 -1.695 7.644) 8.160 5.867 ( -14.082 -7.887 6.025) 17.228 6.562 ( -3.790 -0.500 1.265) 4.027 7.386 ( 2.588 6.052 8.400) 10.672 8.654 ( 1.691 2.319 -1.023) 3.047 9.297 ( -1.897 7.062 -4.984) 8.849 9.729 ( -11.693 0.275 -9.699) 15.195 10.254 ( 10.441 -1.084 9.635) 14.249 10.401 ( -1.314 -1.398 -3.346) 3.857 10.878 ( -3.441 -10.197 -2.548) 11.060 12.973 ( 4.037 8.127 -0.354) 9.081 14.961 ( 5.933 -9.037 1.541) 10.920 15.200 ( -7.531 -5.634 1.694) 9.557 25.451 ( 0.143 -0.314 -0.617) 0.707======================= Grid point 525 (246/488) =======================q-point: (-0.27 0.27 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.287 ( 2.918 12.006 -6.660) 14.036 3.626 ( -8.861 10.787 1.286) 14.018 3.873 ( 7.203 5.169 -3.429) 9.506 4.770 ( 10.227 13.400 -10.478) 19.848 5.686 ( 3.531 3.361 7.451) 8.904 5.825 ( -12.846 -1.982 8.658) 15.617 6.537 ( -3.277 -0.748 0.627) 3.419 7.374 ( 5.875 2.415 8.418) 10.546 8.623 ( 0.099 3.046 2.675) 4.055 9.112 ( -3.336 9.295 -6.511) 11.829 9.635 ( -10.697 -3.732 -7.579) 13.630 10.387 ( 10.001 0.158 9.427) 13.745 10.464 ( -2.019 -10.182 -3.343) 10.905 11.054 ( -1.862 -13.827 -7.280) 15.737 12.868 ( 1.820 7.406 0.801) 7.668 15.136 ( -1.467 -4.461 -0.068) 4.696 15.276 ( 3.189 -9.776 3.234) 10.780 25.456 ( -0.000 -0.349 -0.615) 0.708======================= Grid point 526 (247/488) =======================q-point: (-0.20 0.27 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.091 ( 4.621 15.247 -2.990) 16.211 3.259 ( -11.336 19.407 4.499) 22.921 3.842 ( 1.438 4.324 -7.379) 8.672 4.616 ( 5.273 11.770 -16.501) 20.944 5.634 ( 9.411 13.063 9.487) 18.687 5.707 ( -10.191 2.915 9.521) 14.248 6.525 ( -1.896 -0.591 0.434) 2.033 7.425 ( 6.450 0.588 4.417) 7.840 8.534 ( -2.989 6.796 0.138) 7.426 8.993 ( 1.063 0.922 2.740) 3.080 9.607 ( -9.871 -6.260 -6.479) 13.364 10.491 ( 5.907 -2.608 3.583) 7.385 10.665 ( -0.672 -14.486 1.084) 14.542 11.254 ( -2.655 -13.998 -10.302) 17.582 12.782 ( 0.903 4.409 1.704) 4.812 15.117 ( -6.477 0.157 -0.009) 6.479 15.536 ( 8.462 -11.554 2.464) 14.532 25.461 ( -0.176 -0.411 -0.567) 0.722======================= Grid point 527 (248/488) =======================q-point: (-0.13 0.27 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.811 ( -11.210 20.801 4.601) 24.073 2.870 ( 6.685 17.637 1.018) 18.889 3.722 ( -1.763 8.619 -5.938) 10.614 4.452 ( 3.825 10.038 -24.074) 26.362 5.453 ( 9.490 20.996 16.404) 28.284 5.574 ( -2.281 7.188 5.147) 9.130 6.509 ( -1.815 0.529 0.116) 1.894 7.473 ( 4.544 1.008 -2.188) 5.143 8.380 ( -1.864 6.410 -1.305) 6.802 9.112 ( 4.778 -8.914 12.813) 16.324 9.627 ( -8.406 -8.240 -5.788) 13.117 10.596 ( 2.067 -4.576 1.576) 5.263 10.909 ( -2.424 -15.914 2.146) 16.240 11.433 ( -4.214 -13.502 -11.712) 18.364 12.749 ( 0.586 0.911 1.964) 2.243 15.014 ( -6.970 4.117 0.509) 8.111 15.806 ( 7.216 -10.713 0.489) 12.926 25.465 ( -0.336 -0.521 -0.479) 0.784======================= Grid point 528 (249/488) =======================q-point: (-0.07 0.27 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.385 ( -6.962 19.527 5.953) 21.569 2.654 ( 10.020 18.505 4.823) 21.589 3.528 ( -1.627 10.709 -4.280) 11.647 4.288 ( 5.449 11.336 -28.814) 31.440 5.203 ( 13.844 25.627 20.026) 35.347 5.435 ( -0.184 8.225 1.668) 8.395 6.471 ( -2.096 1.318 -0.402) 2.508 7.466 ( 2.611 3.126 -7.147) 8.226 8.332 ( 1.909 -1.177 1.094) 2.495 9.367 ( 5.344 -11.682 15.942) 20.473 9.700 ( -6.526 -10.491 -5.981) 13.726 10.688 ( -3.080 -6.926 2.351) 7.936 11.130 ( -5.280 -14.417 2.150) 15.503 11.588 ( -6.037 -13.111 -11.405) 18.396 12.762 ( -0.031 -1.621 1.760) 2.393 14.852 ( -5.169 7.620 1.248) 9.292 16.016 ( 3.221 -7.620 -2.472) 8.635 25.470 ( -0.472 -0.664 -0.374) 0.897======================= Grid point 534 (250/488) =======================q-point: ( 0.33 0.33 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 488Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.806 ( 10.761 0.000 5.612) 12.136 3.090 ( 16.890 0.000 4.483) 17.475 3.715 ( 10.580 0.000 -4.400) 11.458 3.824 ( 8.075 0.000 -15.411) 17.398 5.110 ( 14.553 0.000 4.900) 15.355 5.781 ( 15.194 0.000 0.620) 15.207 6.785 ( -4.086 -0.000 1.960) 4.532 7.977 ( 11.249 0.000 -1.097) 11.302 8.812 ( 0.428 0.000 -17.773) 17.778 9.241 ( -4.617 -0.000 4.116) 6.186 10.010 ( -5.975 -0.000 0.502) 5.996 10.370 ( -7.486 -0.000 4.144) 8.556 11.094 ( -10.302 -0.000 -3.358) 10.835 11.370 ( -11.367 -0.000 0.882) 11.401 12.935 ( -1.485 -0.000 0.778) 1.677 14.881 ( -12.656 -0.000 -10.805) 16.641 14.949 ( 3.361 0.000 12.191) 12.646 25.448 ( -0.819 -0.000 -0.417) 0.919======================= Grid point 535 (251/488) =======================q-point: ( 0.40 0.33 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.974 ( 8.865 -7.295 5.841) 12.881 3.241 ( 12.698 -0.074 3.636) 13.208 3.861 ( 5.736 1.500 -14.847) 15.987 3.902 ( 10.709 -10.279 -4.140) 15.410 5.280 ( 11.521 -3.411 3.099) 12.409 5.897 ( 12.847 3.370 1.928) 13.421 6.726 ( -6.488 1.050 5.416) 8.517 8.042 ( 9.664 4.756 -0.893) 10.807 8.810 ( 2.021 -1.206 -19.065) 19.210 9.214 ( -4.011 -1.286 4.332) 6.043 9.956 ( -0.252 2.573 -0.658) 2.667 10.273 ( -5.401 3.840 3.481) 7.485 11.001 ( -9.068 -0.670 -3.175) 9.631 11.229 ( -10.598 3.989 2.797) 11.664 12.927 ( 0.012 -0.599 0.732) 0.946 14.773 ( -13.220 -3.846 -8.909) 16.399 14.989 ( 2.582 0.958 10.312) 10.673 25.440 ( -0.498 0.010 -0.498) 0.704======================= Grid point 536 (252/488) =======================q-point: ( 0.47 0.33 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.203 ( 5.371 -8.477 4.230) 10.890 3.400 ( 10.974 -6.412 2.959) 13.050 3.851 ( 4.349 3.278 -12.916) 14.017 4.234 ( 11.304 -16.081 -3.695) 20.001 5.443 ( 6.500 -4.536 1.955) 8.164 5.924 ( 8.354 6.746 2.898) 11.122 6.647 ( -7.355 0.797 7.282) 10.381 8.008 ( 6.515 8.930 -0.032) 11.055 8.810 ( 0.261 0.335 -18.634) 18.639 9.239 ( 0.817 -3.656 4.555) 5.898 9.907 ( -0.763 2.723 -4.352) 5.190 10.184 ( 1.218 4.159 5.874) 7.299 10.889 ( -9.054 4.165 -3.309) 10.501 11.054 ( -9.013 4.550 4.234) 10.948 12.973 ( 3.303 -2.848 0.334) 4.374 14.707 ( -11.688 -4.393 -8.032) 14.846 15.001 ( 0.339 0.664 9.461) 9.491 25.437 ( -0.128 -0.065 -0.568) 0.586======================= Grid point 537 (253/488) =======================q-point: ( 0.53 0.33 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.344 ( 0.610 -5.775 -1.551) 6.011 3.677 ( 9.282 -10.649 -1.131) 14.171 3.824 ( 5.709 2.629 -3.440) 7.165 4.624 ( 12.316 -16.456 -3.797) 20.902 5.555 ( -0.029 -4.592 1.716) 4.902 5.850 ( 2.913 9.156 3.742) 10.311 6.579 ( -7.298 -0.302 7.314) 10.337 7.879 ( 2.686 11.925 1.482) 12.314 8.760 ( -0.363 2.001 -14.770) 14.909 9.345 ( 3.838 -3.977 3.925) 6.779 9.847 ( -3.132 0.572 -8.176) 8.774 10.179 ( 6.802 2.683 6.773) 9.967 10.673 ( -8.387 9.231 -2.122) 12.652 10.917 ( -7.067 3.725 3.637) 8.778 13.075 ( 5.965 -3.094 -0.607) 6.747 14.667 ( -7.909 -4.166 -5.338) 10.411 15.008 ( -1.915 -1.234 7.480) 7.820 25.438 ( 0.162 -0.149 -0.621) 0.659======================= Grid point 538 (254/488) =======================q-point: ( 0.60 0.33 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.422 ( -3.643 -6.140 -6.847) 9.892 3.742 ( 6.283 4.751 -11.537) 13.969 4.007 ( 7.363 -8.280 11.539) 15.998 4.986 ( 13.943 -10.642 -5.089) 18.263 5.596 ( -7.648 -4.331 3.137) 9.332 5.713 ( -0.941 7.515 4.709) 8.918 6.530 ( -7.203 -1.279 5.742) 9.300 7.698 ( 1.752 11.884 4.267) 12.748 8.717 ( 1.262 1.536 -10.611) 10.796 9.408 ( 0.217 0.141 3.462) 3.472 9.791 ( -4.421 1.499 -10.588) 11.571 10.247 ( 8.428 -1.089 5.015) 9.867 10.463 ( -3.981 7.071 -1.976) 8.351 10.793 ( -5.592 3.651 3.586) 7.580 13.156 ( 5.274 1.028 -1.539) 5.589 14.698 ( -1.938 -6.840 -1.484) 7.262 15.026 ( -3.172 -2.976 4.822) 6.494 25.443 ( 0.289 -0.188 -0.652) 0.738======================= Grid point 539 (255/488) =======================q-point: (-0.33 0.33 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.453 ( -4.815 -4.102 -11.436) 13.069 3.704 ( 3.963 4.843 -5.651) 8.432 4.141 ( 2.865 0.897 8.981) 9.469 5.153 ( 7.614 5.286 -8.605) 12.648 5.584 ( -6.030 -4.911 7.295) 10.663 5.675 ( -1.334 -3.796 5.711) 6.985 6.490 ( -6.944 -1.796 3.629) 8.038 7.562 ( 4.531 8.687 7.278) 12.205 8.700 ( 1.814 1.328 -5.959) 6.369 9.360 ( -3.424 3.821 0.329) 5.141 9.653 ( -8.118 4.934 -9.400) 13.364 10.351 ( 2.945 3.888 -1.349) 5.061 10.400 ( 6.793 -4.213 1.807) 8.195 10.725 ( -3.578 -1.724 2.290) 4.584 13.127 ( 1.874 6.261 -1.424) 6.688 14.859 ( 4.316 -10.654 1.710) 11.621 15.053 ( -3.703 -3.636 2.117) 5.605 25.448 ( 0.254 -0.181 -0.655) 0.725======================= Grid point 540 (256/488) =======================q-point: (-0.27 0.33 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.427 ( -0.997 1.876 -11.955) 12.143 3.616 ( -6.469 5.099 -1.355) 8.348 4.074 ( 0.967 8.699 3.618) 9.471 4.999 ( -4.132 10.468 -9.195) 14.533 5.633 ( -4.207 -4.797 7.460) 9.816 5.799 ( 8.099 -3.390 7.401) 11.483 6.469 ( -4.924 -2.526 2.527) 6.084 7.519 ( 7.243 5.153 7.815) 11.836 8.683 ( 1.390 2.374 -0.079) 2.752 9.213 ( -4.750 8.084 -3.813) 10.122 9.497 ( -8.779 1.285 -7.176) 11.411 10.333 ( -1.547 -2.548 -3.645) 4.708 10.532 ( 12.136 1.699 6.883) 14.055 10.806 ( -2.848 -11.321 -4.189) 12.402 13.005 ( -0.863 7.984 -0.315) 8.037 15.063 ( -1.311 -2.451 1.557) 3.186 15.127 ( 4.719 -12.808 1.673) 13.752 25.452 ( 0.115 -0.163 -0.617) 0.648======================= Grid point 541 (257/488) =======================q-point: (-0.20 0.33 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.328 ( -0.200 10.873 -1.825) 11.027 3.378 ( -12.111 8.594 -5.118) 15.708 3.945 ( 1.385 7.540 -3.415) 8.392 4.752 ( -8.990 8.815 -11.698) 17.186 5.666 ( -2.212 -1.299 8.364) 8.749 5.909 ( 12.608 4.561 8.517) 15.884 6.482 ( -1.987 -2.430 2.129) 3.793 7.537 ( 7.310 3.180 4.739) 9.274 8.632 ( 0.328 5.832 3.048) 6.589 9.047 ( -1.785 5.073 -0.234) 5.383 9.415 ( -8.787 -2.939 -6.743) 11.460 10.406 ( -1.578 -8.508 -3.966) 9.519 10.621 ( 9.780 1.491 7.518) 12.425 10.984 ( -2.874 -13.463 -8.097) 15.971 12.869 ( -1.960 6.193 0.828) 6.549 15.057 ( -3.922 -0.615 -1.018) 4.099 15.411 ( 6.664 -12.723 3.126) 14.699 25.454 ( -0.059 -0.176 -0.535) 0.566======================= Grid point 542 (258/488) =======================q-point: (-0.13 0.33 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.975 ( -15.158 15.345 4.406) 22.015 3.209 ( 6.632 12.962 -6.740) 16.045 3.826 ( -0.932 7.061 -5.597) 9.059 4.518 ( -9.148 5.517 -17.607) 20.595 5.644 ( 0.544 4.471 9.247) 10.285 5.915 ( 14.539 12.608 10.198) 21.780 6.499 ( -0.716 -0.459 1.295) 1.549 7.555 ( 5.125 2.777 -0.751) 5.877 8.504 ( 0.512 8.970 1.200) 9.064 9.060 ( 3.408 -4.579 10.471) 11.926 9.396 ( -8.770 -6.401 -6.280) 12.543 10.546 ( 0.209 -8.313 -4.706) 9.555 10.709 ( 3.179 -3.812 6.266) 7.994 11.158 ( -3.865 -12.815 -9.087) 16.178 12.775 ( -2.042 2.781 1.435) 3.737 15.002 ( -4.568 1.924 -1.640) 5.220 15.677 ( 4.638 -11.771 2.412) 12.880 25.455 ( -0.222 -0.246 -0.421) 0.536======================= Grid point 543 (259/488) =======================q-point: (-0.07 0.33 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.600 ( -8.842 14.962 4.138) 17.865 3.045 ( 9.768 15.589 -2.122) 18.518 3.674 ( -0.907 8.807 -4.059) 9.740 4.347 ( -6.101 2.407 -25.447) 26.278 5.559 ( 3.511 9.492 9.580) 13.935 5.813 ( 15.232 19.206 12.303) 27.427 6.479 ( -1.097 1.654 0.067) 1.986 7.541 ( 3.074 3.214 -5.390) 6.988 8.402 ( 3.855 5.219 1.674) 6.701 9.258 ( 5.189 -10.517 16.121) 19.935 9.435 ( -8.280 -9.462 -5.595) 13.762 10.626 ( 0.946 -1.419 -3.221) 3.645 10.847 ( -4.745 -12.309 2.763) 13.478 11.307 ( -5.361 -11.982 -8.287) 15.524 12.738 ( -1.887 -0.342 1.496) 2.432 14.902 ( -3.908 4.344 -1.232) 5.972 15.888 ( 0.832 -9.548 0.533) 9.600 25.457 ( -0.360 -0.372 -0.306) 0.601======================= Grid point 550 (260/488) =======================q-point: ( 0.40 0.40 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 488Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.987 ( 5.792 0.000 4.989) 7.644 3.357 ( 8.220 0.000 4.529) 9.385 3.892 ( 8.103 0.000 -4.398) 9.220 3.915 ( 5.794 0.000 -13.028) 14.258 5.373 ( 10.697 0.000 1.595) 10.815 6.048 ( 10.148 0.000 2.330) 10.412 6.663 ( -9.312 -0.000 9.029) 12.971 8.174 ( 8.437 0.000 -1.453) 8.561 8.799 ( 3.472 0.000 -20.457) 20.749 9.168 ( -3.787 -0.000 4.821) 6.130 9.981 ( 0.153 0.000 -3.138) 3.142 10.283 ( -0.087 -0.000 5.008) 5.008 10.901 ( -7.671 -0.000 -3.626) 8.485 11.165 ( -9.934 -0.000 3.580) 10.559 12.912 ( -0.898 -0.000 0.733) 1.159 14.598 ( -12.490 -0.000 -5.729) 13.742 15.049 ( 3.975 0.000 7.481) 8.472 25.436 ( -0.228 -0.000 -0.586) 0.629======================= Grid point 551 (261/488) =======================q-point: ( 0.47 0.40 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.105 ( 2.813 -7.411 4.376) 9.055 3.421 ( 3.719 -1.214 3.435) 5.207 3.919 ( 4.455 2.080 -11.004) 12.053 4.090 ( 9.163 -11.815 -4.094) 15.502 5.475 ( 6.960 -0.960 0.954) 7.090 6.097 ( 5.869 4.269 2.769) 7.768 6.576 ( -10.145 0.052 10.839) 14.847 8.196 ( 5.692 5.753 -1.221) 8.185 8.804 ( 2.675 0.732 -19.998) 20.190 9.177 ( -0.942 -4.128 4.244) 5.995 9.930 ( -3.593 2.908 -5.855) 7.460 10.303 ( 7.725 3.158 8.078) 11.615 10.834 ( -6.243 -0.035 -3.633) 7.223 11.041 ( -8.896 3.609 3.408) 10.188 12.936 ( 0.624 -3.339 0.617) 3.453 14.504 ( -11.021 -3.514 -4.824) 12.533 15.079 ( 4.232 2.599 6.625) 8.280 25.435 ( 0.098 -0.054 -0.652) 0.661======================= Grid point 552 (262/488) =======================q-point: ( 0.53 0.40 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.239 ( -2.046 -6.071 -0.172) 6.409 3.546 ( 1.991 -11.064 4.741) 12.201 3.906 ( 4.295 2.912 -9.148) 10.517 4.429 ( 9.275 -17.637 -3.153) 20.175 5.535 ( 1.874 -0.531 0.972) 2.176 6.031 ( 1.272 8.229 3.102) 8.886 6.495 ( -9.688 -0.608 10.716) 14.459 8.095 ( 1.902 10.520 -0.289) 10.694 8.770 ( 1.011 1.851 -16.669) 16.802 9.291 ( 2.303 -6.728 2.281) 7.468 9.832 ( -3.726 2.397 -6.859) 8.166 10.333 ( 8.276 5.231 9.615) 13.722 10.728 ( -5.014 5.595 -3.232) 8.179 10.913 ( -5.314 3.033 2.116) 6.474 13.037 ( 2.775 -6.188 0.047) 6.782 14.477 ( -8.501 -5.821 -4.170) 11.115 15.071 ( 4.137 4.139 6.296) 8.596 25.438 ( 0.358 -0.110 -0.685) 0.781======================= Grid point 553 (263/488) =======================q-point: (-0.40 -0.60 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.277 ( -5.637 -4.702 -5.096) 8.936 3.800 ( 2.103 -13.832 1.526) 14.074 3.886 ( 1.092 1.387 -2.111) 2.752 4.822 ( 7.911 -18.656 -4.014) 20.658 5.531 ( -2.604 0.578 2.359) 3.561 5.872 ( -1.860 10.333 3.162) 10.965 6.433 ( -8.780 -1.408 8.929) 12.601 7.913 ( 0.137 11.598 2.040) 11.777 8.735 ( 1.683 1.273 -14.117) 14.274 9.392 ( -0.694 -2.497 2.736) 3.769 9.777 ( -0.947 0.612 -8.616) 8.689 10.304 ( 0.130 3.867 8.426) 9.272 10.588 ( 2.235 7.870 -3.006) 8.716 10.830 ( -0.762 3.910 2.463) 4.683 13.162 ( 2.295 -4.497 -0.991) 5.145 14.527 ( -3.639 -8.588 -2.683) 9.705 15.052 ( 3.723 3.631 5.630) 7.665 25.443 ( 0.472 -0.113 -0.686) 0.840======================= Grid point 554 (264/488) =======================q-point: (-0.33 -0.60 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.290 ( -6.797 -5.756 -8.619) 12.394 3.824 ( 1.313 5.494 -4.860) 7.452 4.037 ( -4.477 -12.208 6.484) 14.531 5.104 ( -4.185 -8.800 -8.253) 12.770 5.529 ( 3.278 -3.153 6.717) 8.113 5.703 ( -1.393 6.503 3.893) 7.706 6.389 ( -7.562 -1.975 6.163) 9.953 7.753 ( 1.825 8.686 5.162) 10.268 8.721 ( 2.104 0.698 -11.774) 11.981 9.364 ( -4.917 1.961 2.846) 6.010 9.700 ( -2.236 6.944 -6.813) 9.982 10.304 ( -2.399 -4.819 1.125) 5.499 10.502 ( 5.067 6.093 -1.758) 8.117 10.782 ( 5.472 5.105 4.403) 8.682 13.194 ( -1.259 1.401 -1.536) 2.431 14.694 ( 2.467 -12.285 -0.786) 12.555 15.044 ( 2.910 2.051 4.173) 5.485 25.448 ( 0.433 -0.062 -0.652) 0.785======================= Grid point 555 (265/488) =======================q-point: (-0.27 -0.60 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.311 ( -6.267 -6.081 -11.392) 14.353 3.684 ( -7.705 7.682 1.139) 10.940 4.125 ( -2.377 -2.068 0.902) 3.277 4.988 ( -17.044 3.904 -7.560) 19.050 5.600 ( 1.439 0.718 3.425) 3.784 5.800 ( 10.713 -9.312 8.133) 16.360 6.374 ( -4.896 -3.185 4.220) 7.205 7.679 ( 4.077 5.127 6.257) 9.058 8.718 ( 1.896 0.618 -7.259) 7.528 9.255 ( -6.644 4.381 0.835) 8.002 9.518 ( -3.022 9.015 -3.788) 10.235 10.317 ( -1.579 1.062 -3.671) 4.135 10.560 ( 3.427 -7.900 -1.704) 8.778 10.777 ( 9.477 5.445 5.024) 12.029 13.098 ( -4.170 5.879 -0.946) 7.269 14.954 ( 4.716 -12.848 -1.259) 13.744 15.054 ( 2.719 -0.172 3.882) 4.743 25.452 ( 0.299 0.006 -0.581) 0.653======================= Grid point 556 (266/488) =======================q-point: (-0.20 -0.60 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.310 ( -9.328 -1.543 -10.174) 13.889 3.436 ( -9.887 7.941 1.238) 12.742 4.079 ( 1.180 6.084 -3.606) 7.171 4.708 ( -19.112 5.394 -7.481) 21.221 5.638 ( 0.938 -2.759 5.256) 6.010 6.050 ( 12.386 -4.201 7.599) 15.126 6.413 ( -1.158 -4.296 3.889) 5.910 7.662 ( 4.165 3.374 3.711) 6.520 8.715 ( 2.076 1.829 -0.160) 2.771 9.098 ( -6.159 5.621 -1.798) 8.530 9.369 ( -1.800 5.302 -1.029) 5.693 10.301 ( -0.397 -2.046 -2.949) 3.611 10.741 ( -1.729 -11.115 -5.243) 12.410 10.799 ( 12.062 4.992 4.851) 13.926 12.942 ( -5.043 6.475 0.005) 8.207 15.028 ( -0.459 0.390 -2.451) 2.524 15.265 ( 6.110 -12.760 3.691) 14.621 25.452 ( 0.137 0.049 -0.473) 0.495======================= Grid point 557 (267/488) =======================q-point: (-0.13 0.40 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.034 ( -17.250 10.737 2.365) 20.456 3.363 ( 1.646 1.458 -11.565) 11.772 3.954 ( 1.326 9.342 -4.710) 10.546 4.436 ( -17.139 3.447 -10.216) 20.248 5.699 ( 1.948 -1.235 6.853) 7.231 6.193 ( 11.888 2.892 7.573) 14.388 6.482 ( 1.215 -2.382 3.962) 4.780 7.644 ( 2.204 3.007 -1.017) 3.864 8.669 ( 2.671 7.521 3.942) 8.902 9.011 ( -3.570 -2.855 0.479) 4.596 9.300 ( -0.094 2.005 1.761) 2.670 10.378 ( -0.413 -7.679 -2.435) 8.067 10.785 ( 2.995 2.380 -1.430) 4.084 10.935 ( 2.291 -8.510 -2.340) 9.118 12.802 ( -4.570 4.235 0.623) 6.262 14.995 ( -1.675 1.797 -3.365) 4.166 15.525 ( 3.632 -11.757 3.240) 12.724 25.452 ( -0.010 0.037 -0.345) 0.347======================= Grid point 558 (268/488) =======================q-point: (-0.07 0.40 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.716 ( -10.252 10.082 2.434) 14.584 3.321 ( 6.591 7.073 -10.043) 13.940 3.801 ( 0.070 8.506 -3.391) 9.157 4.237 ( -12.423 0.324 -16.236) 20.446 5.720 ( 3.595 3.448 7.543) 9.039 6.216 ( 11.724 9.913 9.447) 18.027 6.505 ( 0.749 1.524 2.469) 2.997 7.605 ( 0.689 2.623 -4.746) 5.467 8.565 ( 4.228 8.267 3.482) 9.916 9.100 ( -3.915 -10.234 0.760) 10.984 9.317 ( 3.678 -1.683 9.263) 10.108 10.518 ( -1.611 -9.983 -2.751) 10.479 10.752 ( -0.503 2.520 -3.097) 4.024 11.081 ( -1.387 -8.783 -2.668) 9.283 12.719 ( -3.459 1.044 0.786) 3.698 14.929 ( -2.066 3.183 -3.452) 5.130 15.730 ( 0.034 -9.942 2.206) 10.184 25.451 ( -0.129 -0.037 -0.229) 0.266======================= Grid point 566 (269/488) =======================q-point: ( 0.47 0.47 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 488Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.061 ( 0.229 0.000 4.671) 4.677 3.416 ( -3.546 -0.000 2.694) 4.453 4.008 ( 4.449 0.000 -4.346) 6.219 4.036 ( 10.226 0.000 -9.522) 13.972 5.525 ( 3.553 0.000 0.863) 3.656 6.175 ( 1.427 0.000 3.068) 3.384 6.488 ( -10.355 -0.000 12.548) 16.269 8.291 ( 3.267 0.000 -1.585) 3.631 8.825 ( 4.148 0.000 -21.708) 22.101 9.123 ( -1.834 -0.000 5.060) 5.382 9.900 ( -5.763 -0.000 -5.932) 8.270 10.444 ( 11.548 0.000 9.680) 15.068 10.780 ( -3.161 -0.000 -3.652) 4.830 10.994 ( -7.338 -0.000 1.984) 7.601 12.905 ( -0.029 -0.000 0.677) 0.678 14.373 ( -8.300 -0.000 -3.103) 8.861 15.161 ( 5.640 0.000 5.057) 7.575 25.436 ( 0.375 0.000 -0.703) 0.797======================= Grid point 567 (270/488) =======================q-point: (-0.47 -0.53 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.110 ( -3.298 -5.635 2.822) 7.112 3.392 ( -7.070 -4.800 2.822) 8.999 3.992 ( 4.598 3.236 -7.878) 9.678 4.260 ( 9.497 -12.208 -4.814) 16.199 5.540 ( -1.196 -0.123 1.190) 1.692 6.132 ( -3.453 4.313 3.349) 6.461 6.409 ( -8.953 -0.171 12.366) 15.267 8.247 ( -0.528 6.643 -1.409) 6.812 8.801 ( 2.001 2.606 -18.931) 19.214 9.187 ( 0.698 -6.989 2.372) 7.413 9.817 ( -5.085 1.725 -5.194) 7.471 10.523 ( 7.364 5.291 11.684) 14.790 10.749 ( -0.558 1.260 -3.753) 3.998 10.925 ( -0.917 2.103 -0.236) 2.307 12.953 ( 0.875 -5.144 0.520) 5.244 14.327 ( -5.377 -3.108 -2.394) 6.656 15.200 ( 6.348 3.332 4.443) 8.434 25.440 ( 0.596 -0.047 -0.715) 0.932======================= Grid point 568 (271/488) =======================q-point: (-0.40 -0.53 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.136 ( -7.449 -3.873 -2.702) 8.820 3.489 ( -9.090 -15.167 6.873) 18.971 3.972 ( 4.111 3.168 -8.935) 10.333 4.584 ( 6.800 -16.604 -4.561) 18.513 5.512 ( -4.458 -0.008 2.376) 5.052 5.983 ( -6.935 7.235 3.198) 10.520 6.349 ( -7.128 -0.392 10.751) 12.905 8.078 ( -3.478 9.970 -0.127) 10.560 8.758 ( 1.796 1.623 -16.131) 16.311 9.315 ( -0.649 -6.025 0.960) 6.135 9.755 ( -2.036 -0.249 -5.507) 5.877 10.425 ( -2.198 9.659 10.266) 14.266 10.715 ( 2.893 4.147 -3.141) 5.953 10.924 ( 8.339 3.040 0.663) 8.901 13.071 ( 0.390 -7.009 -0.040) 7.020 14.368 ( -1.339 -6.660 -1.979) 7.076 15.194 ( 6.526 5.533 4.227) 9.543 25.447 ( 0.684 -0.039 -0.685) 0.969======================= Grid point 569 (272/488) =======================q-point: (-0.33 -0.53 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.114 ( -8.785 -4.766 -6.208) 11.766 3.657 ( -15.701 -15.322 10.413) 24.284 3.953 ( 4.928 1.686 -10.478) 11.701 4.863 ( -3.570 -12.496 -8.397) 15.473 5.501 ( -0.453 -3.738 6.727) 7.709 5.793 ( -6.545 6.936 2.671) 9.903 6.307 ( -5.526 -0.711 7.831) 9.611 7.889 ( -3.253 7.919 2.818) 9.013 8.738 ( 2.137 0.744 -15.262) 15.428 9.337 ( -4.904 0.057 2.298) 5.417 9.757 ( 0.488 0.385 -6.379) 6.409 10.270 ( -2.671 4.941 7.156) 9.097 10.651 ( 3.536 6.736 -2.261) 7.937 10.967 ( 12.533 5.067 2.514) 13.751 13.151 ( -2.999 -3.256 -0.664) 4.476 14.526 ( 3.856 -11.101 -1.474) 11.843 15.166 ( 5.891 5.848 3.741) 9.105 25.452 ( 0.632 0.033 -0.620) 0.886======================= Grid point 570 (273/488) =======================q-point: (-0.27 -0.53 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.114 ( -8.317 -6.803 -8.821) 13.902 3.621 ( -20.382 -1.342 8.791) 22.238 4.029 ( 2.908 -6.056 -7.807) 10.300 4.831 ( -17.310 0.238 -9.719) 19.853 5.627 ( -2.412 0.440 2.279) 3.347 5.733 ( 6.950 -9.723 8.779) 14.830 6.291 ( -3.442 -2.083 5.040) 6.449 7.774 ( -1.421 3.891 4.918) 6.430 8.731 ( 2.094 0.271 -13.696) 13.857 9.250 ( -6.818 3.023 3.170) 8.104 9.673 ( 0.868 9.123 -2.558) 9.514 10.259 ( -1.507 -3.517 0.824) 3.914 10.583 ( 5.182 5.102 -0.810) 7.317 11.007 ( 13.568 6.434 3.056) 15.324 13.110 ( -6.220 2.119 -0.710) 6.609 14.792 ( 7.106 -13.498 -1.457) 15.324 15.132 ( 4.198 4.657 2.995) 6.948 25.456 ( 0.496 0.133 -0.525) 0.734======================= Grid point 571 (274/488) =======================q-point: (-0.20 -0.53 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.138 ( -8.481 -6.367 -10.185) 14.704 3.388 ( -20.297 3.589 5.744) 21.398 4.121 ( 1.668 -2.490 -6.862) 7.488 4.574 ( -20.549 4.745 -7.924) 22.529 5.600 ( -2.009 -1.948 2.366) 3.664 6.037 ( 9.170 -11.398 8.436) 16.886 6.333 ( -0.402 -4.745 4.294) 6.412 7.727 ( -0.760 1.884 3.531) 4.073 8.736 ( 2.014 -0.498 -9.101) 9.334 9.118 ( -7.085 4.927 2.243) 8.916 9.523 ( 3.510 10.186 1.917) 10.943 10.285 ( -0.766 -0.778 -2.016) 2.292 10.615 ( 4.379 -2.774 -1.259) 5.334 11.033 ( 13.127 6.984 2.571) 15.090 12.976 ( -7.204 4.992 -0.327) 8.771 15.044 ( 5.225 -3.135 -6.359) 8.807 15.141 ( 3.649 -6.358 6.608) 9.869 25.457 ( 0.344 0.217 -0.404) 0.573======================= Grid point 572 (275/488) =======================q-point: (-0.13 -0.53 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.994 ( -18.446 5.628 0.990) 19.311 3.280 ( -5.312 -6.313 -9.697) 12.732 4.113 ( 3.257 5.616 -7.732) 10.096 4.282 ( -20.235 3.265 -6.546) 21.516 5.658 ( -0.548 -5.290 4.503) 6.969 6.269 ( 6.858 -5.377 5.347) 10.225 6.446 ( 2.739 -5.693 6.630) 9.158 7.685 ( -2.036 2.008 -0.489) 2.901 8.767 ( 3.120 -0.591 -1.341) 3.447 8.962 ( -6.553 4.742 -0.789) 8.128 9.430 ( 6.347 7.525 6.664) 11.888 10.298 ( 0.375 -2.172 -1.621) 2.736 10.711 ( 0.753 -4.836 -4.024) 6.336 11.045 ( 11.289 6.414 1.720) 13.097 12.822 ( -6.464 4.700 0.019) 7.992 15.027 ( 1.001 3.267 -4.722) 5.828 15.373 ( 3.599 -11.386 3.704) 12.503 25.455 ( 0.217 0.256 -0.275) 0.433======================= Grid point 573 (276/488) =======================q-point: (-0.07 -0.53 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.737 ( -11.756 5.314 1.636) 13.004 3.348 ( 0.543 -5.557 -13.993) 15.066 3.959 ( -2.269 10.392 -5.424) 11.940 4.098 ( -10.264 0.211 -8.759) 13.495 5.749 ( 0.834 -3.855 6.155) 7.310 6.381 ( 5.243 -0.516 3.664) 6.417 6.548 ( 3.127 -0.671 7.891) 8.515 7.621 ( -3.300 1.675 -3.728) 5.253 8.739 ( 1.482 7.712 4.917) 9.265 8.921 ( -2.298 -6.472 -4.494) 8.208 9.418 ( 8.201 4.058 12.229) 15.273 10.364 ( -0.998 -5.984 -1.449) 6.237 10.749 ( -1.924 -0.869 -7.017) 7.327 11.059 ( 7.170 3.072 1.382) 7.921 12.706 ( -4.678 2.267 0.161) 5.201 14.967 ( -0.057 3.604 -5.055) 6.209 15.572 ( 0.344 -9.494 3.129) 10.002 25.452 ( 0.120 0.241 -0.170) 0.318======================= Grid point 582 (277/488) =======================q-point: (-0.47 -0.47 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 488Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.021 ( -5.452 -0.000 4.368) 6.986 3.257 ( -11.780 -0.000 0.575) 11.794 4.042 ( 0.040 0.000 -4.039) 4.039 4.255 ( 12.963 0.000 -8.560) 15.535 5.504 ( -5.905 -0.000 1.923) 6.210 6.109 ( -9.070 -0.000 3.739) 9.811 6.348 ( -6.339 -0.000 12.104) 13.664 8.284 ( -3.660 -0.000 -1.539) 3.970 8.812 ( 0.000 0.000 -22.691) 22.691 9.132 ( 1.489 0.000 5.062) 5.276 9.771 ( -5.275 -0.000 -3.478) 6.318 10.637 ( 0.731 0.000 11.550) 11.573 10.760 ( 2.157 0.000 -3.683) 4.268 10.979 ( 9.358 0.000 -1.506) 9.478 12.915 ( 0.891 0.000 0.663) 1.111 14.260 ( -2.345 -0.000 -1.378) 2.720 15.304 ( 7.347 0.000 3.411) 8.100 25.446 ( 0.783 0.000 -0.703) 1.053======================= Grid point 583 (278/488) =======================q-point: (-0.40 -0.47 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.993 ( -8.848 -3.224 1.227) 9.497 3.186 ( -13.547 -7.689 2.883) 15.842 4.018 ( -0.524 0.946 -5.861) 5.960 4.439 ( 9.140 -8.449 -8.461) 15.050 5.439 ( -8.781 -1.026 3.303) 9.438 5.974 ( -12.823 3.074 3.736) 13.706 6.310 ( -3.785 0.409 10.642) 11.303 8.168 ( -6.764 6.745 -1.270) 9.637 8.762 ( -1.163 0.567 -20.107) 20.148 9.213 ( 1.302 -5.335 2.948) 6.233 9.717 ( -3.909 -0.100 -2.359) 4.567 10.567 ( -2.388 7.414 8.631) 11.626 10.784 ( 4.158 1.040 -3.244) 5.375 11.091 ( 15.045 2.130 0.218) 15.197 12.971 ( 0.686 -4.852 0.540) 4.930 14.278 ( 0.764 -3.594 -1.052) 3.822 15.352 ( 7.616 3.739 2.972) 8.989 25.453 ( 0.849 0.011 -0.652) 1.070======================= Grid point 584 (279/488) =======================q-point: (-0.33 -0.47 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.940 ( -11.084 -3.466 -3.576) 12.151 3.244 ( -16.771 -14.729 7.434) 23.526 3.987 ( -0.884 0.768 -7.874) 7.960 4.636 ( -0.998 -9.559 -11.608) 15.071 5.403 ( -6.798 -4.795 7.297) 11.066 5.791 ( -11.727 3.533 3.188) 12.655 6.284 ( -1.791 1.002 7.839) 8.103 7.965 ( -7.398 7.531 0.772) 10.585 8.730 ( -0.549 -0.733 -18.117) 18.140 9.280 ( -2.652 -1.922 2.519) 4.132 9.711 ( -1.613 -3.113 -3.286) 4.805 10.413 ( 0.475 10.162 7.807) 12.823 10.787 ( 5.896 4.245 -2.456) 7.669 11.191 ( 15.471 4.402 0.979) 16.115 13.053 ( -1.996 -4.562 0.243) 4.985 14.403 ( 4.620 -8.573 -1.074) 9.798 15.342 ( 6.988 6.490 2.572) 9.878 25.460 ( 0.788 0.089 -0.567) 0.975======================= Grid point 585 (280/488) =======================q-point: (-0.27 -0.47 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.900 ( -10.805 -6.121 -6.099) 13.835 3.289 ( -23.036 -11.298 10.164) 27.597 3.971 ( -1.026 -2.241 -8.875) 9.211 4.637 ( -14.395 -2.115 -14.536) 20.567 5.503 ( -6.286 -10.040 7.707) 14.132 5.687 ( -0.754 -1.769 5.053) 5.406 6.264 ( -0.518 0.793 4.395) 4.496 7.807 ( -5.316 3.852 3.724) 7.547 8.719 ( 0.073 -1.096 -17.116) 17.151 9.233 ( -5.673 2.234 3.719) 7.142 9.742 ( -0.956 -1.108 -4.613) 4.839 10.298 ( 4.246 6.864 7.334) 10.906 10.760 ( 8.344 6.906 -0.952) 10.873 11.256 ( 14.644 6.030 0.956) 15.866 13.058 ( -5.574 -0.486 -0.026) 5.595 14.645 ( 7.560 -12.737 -1.095) 14.852 15.288 ( 5.172 7.538 1.739) 9.306 25.464 ( 0.653 0.205 -0.460) 0.824======================= Grid point 586 (281/488) =======================q-point: (-0.20 -0.47 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.911 ( -9.698 -8.256 -8.024) 15.053 3.167 ( -25.844 -3.127 9.445) 27.693 4.021 ( -3.318 -6.489 -6.994) 10.101 4.439 ( -16.788 2.703 -13.906) 21.966 5.518 ( -7.878 -3.730 1.309) 8.815 5.905 ( 6.262 -13.844 10.333) 18.375 6.275 ( 0.485 -2.138 2.579) 3.385 7.733 ( -3.251 1.238 4.075) 5.358 8.720 ( 0.459 -1.367 -14.458) 14.530 9.126 ( -6.129 3.802 4.364) 8.430 9.700 ( 1.431 5.045 -1.985) 5.607 10.284 ( 4.339 2.107 4.593) 6.661 10.736 ( 10.144 6.604 0.196) 12.105 11.289 ( 13.594 7.143 0.430) 15.362 12.967 ( -7.415 3.064 -0.169) 8.025 14.944 ( 7.880 -13.153 -1.369) 15.394 15.208 ( 2.499 6.698 0.888) 7.204 25.465 ( 0.507 0.314 -0.341) 0.687======================= Grid point 587 (282/488) =======================q-point: (-0.13 -0.47 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.858 ( -18.968 0.512 1.075) 19.006 3.050 ( -11.190 -9.780 -4.797) 15.616 4.036 ( -13.514 -4.130 -3.994) 14.685 4.239 ( -4.963 4.023 -13.921) 15.317 5.537 ( -4.945 -6.421 2.370) 8.444 6.192 ( 4.350 -11.245 7.847) 14.385 6.362 ( 1.362 -6.775 4.268) 8.122 7.683 ( -3.647 1.716 1.158) 4.194 8.745 ( 1.366 -2.841 -9.296) 9.816 8.998 ( -5.582 5.406 4.031) 8.754 9.634 ( 5.652 6.447 2.791) 9.016 10.297 ( 2.849 1.508 2.384) 4.009 10.746 ( 8.629 3.909 -0.467) 9.485 11.290 ( 12.097 8.227 -0.587) 14.641 12.828 ( -7.253 4.259 -0.169) 8.413 15.111 ( 2.817 5.332 -6.231) 8.671 15.228 ( 3.552 -11.252 4.704) 12.703 25.463 ( 0.393 0.385 -0.226) 0.595======================= Grid point 588 (283/488) =======================q-point: (-0.07 -0.47 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.664 ( -13.333 0.748 2.245) 13.541 3.154 ( -4.603 -11.966 -11.545) 17.253 3.901 ( -15.054 -0.610 -4.920) 15.850 4.150 ( 2.408 5.433 -10.880) 12.397 5.635 ( -3.148 -8.937 4.722) 10.587 6.368 ( 2.958 -5.420 2.622) 6.709 6.514 ( 0.559 -7.391 8.634) 11.380 7.602 ( -5.302 2.300 -1.748) 6.038 8.823 ( 2.981 -5.111 -5.113) 7.819 8.850 ( -4.599 6.514 3.815) 8.840 9.613 ( 8.638 5.682 8.391) 13.316 10.303 ( 0.549 -0.075 0.731) 0.917 10.759 ( 4.626 2.868 -2.468) 5.976 11.254 ( 9.479 8.819 -1.674) 13.055 12.700 ( -5.488 2.975 -0.036) 6.242 15.036 ( 1.360 4.728 -5.602) 7.456 15.431 ( 1.306 -9.085 3.409) 9.791 25.460 ( 0.311 0.414 -0.144) 0.537======================= Grid point 598 (284/488) =======================q-point: (-0.40 -0.40 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 488Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.869 ( -10.905 -0.000 4.170) 11.675 2.977 ( -15.880 -0.000 -0.346) 15.884 3.987 ( -4.346 -0.000 -3.560) 5.618 4.450 ( 7.630 0.000 -13.257) 15.296 5.328 ( -11.860 -0.000 5.398) 13.031 5.855 ( -15.823 -0.000 3.950) 16.309 6.307 ( -0.540 -0.000 9.222) 9.237 8.146 ( -9.289 -0.000 -1.323) 9.382 8.694 ( -5.419 -0.000 -22.627) 23.267 9.206 ( 4.216 0.000 4.843) 6.421 9.670 ( -4.628 -0.000 -0.156) 4.630 10.622 ( -1.092 -0.000 6.710) 6.798 10.841 ( 6.763 0.000 -3.730) 7.723 11.273 ( 16.824 0.000 0.500) 16.831 12.943 ( 1.603 0.000 0.689) 1.745 14.261 ( 2.223 0.000 -0.436) 2.266 15.466 ( 7.882 0.000 2.195) 8.182 25.461 ( 0.908 0.000 -0.586) 1.080======================= Grid point 599 (285/488) =======================q-point: (-0.33 -0.40 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.768 ( -13.619 -1.884 -0.194) 13.750 2.883 ( -17.513 -8.523 4.067) 19.897 3.938 ( -5.884 -0.876 -4.372) 7.382 4.502 ( -1.470 -3.411 -17.323) 17.717 5.237 ( -13.565 -3.896 9.230) 16.864 5.703 ( -12.287 0.641 3.728) 12.856 6.320 ( 2.767 1.349 6.379) 7.083 7.989 ( -10.236 5.532 -0.536) 11.648 8.634 ( -5.856 -3.422 -20.835) 21.911 9.261 ( 2.448 -0.259 4.190) 4.860 9.638 ( -3.828 -1.905 0.399) 4.294 10.583 ( 3.066 6.147 6.245) 9.283 10.902 ( 8.450 1.497 -3.158) 9.144 11.415 ( 16.176 3.004 -0.111) 16.453 12.984 ( 0.505 -2.504 0.646) 2.635 14.331 ( 4.059 -5.089 -0.245) 6.514 15.510 ( 7.283 4.260 1.528) 8.575 25.469 ( 0.855 0.082 -0.496) 0.992======================= Grid point 600 (286/488) =======================q-point: (-0.27 -0.40 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.678 ( -14.149 -4.871 -3.302) 15.324 2.877 ( -21.536 -11.733 8.180) 25.853 3.885 ( -7.416 -1.750 -5.360) 9.317 4.447 ( -12.836 -1.466 -19.977) 23.791 5.226 ( -16.048 -10.667 10.077) 21.746 5.646 ( -1.410 -2.543 4.763) 5.580 6.325 ( 4.675 3.497 2.351) 6.294 7.811 ( -7.655 3.941 2.432) 8.946 8.625 ( -4.744 -4.817 -19.167) 20.324 9.243 ( -1.684 3.353 4.499) 5.858 9.661 ( -2.747 -4.141 -1.420) 5.168 10.521 ( 8.437 8.812 7.216) 14.175 10.949 ( 10.722 4.015 -1.563) 11.555 11.498 ( 14.659 5.322 -1.125) 15.636 13.004 ( -2.778 -0.540 0.460) 2.868 14.517 ( 6.127 -10.862 -0.134) 12.471 15.474 ( 5.444 7.765 0.464) 9.495 25.474 ( 0.736 0.210 -0.392) 0.859======================= Grid point 601 (287/488) =======================q-point: (-0.20 -0.40 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.650 ( -12.747 -8.689 -4.982) 16.211 2.823 ( -25.567 -7.970 10.554) 28.785 3.849 ( -9.413 -4.950 -4.646) 11.606 4.275 ( -15.837 -0.214 -19.653) 25.241 5.271 ( -15.987 -12.273 4.437) 20.637 5.778 ( 4.600 -9.346 8.560) 13.483 6.307 ( 4.203 3.567 -0.446) 5.531 7.725 ( -3.211 1.053 4.402) 5.549 8.638 ( -3.610 -4.633 -16.877) 17.870 9.153 ( -2.984 4.758 4.952) 7.488 9.689 ( -2.973 -2.766 -3.018) 5.060 10.488 ( 12.306 9.023 8.292) 17.366 10.976 ( 12.954 6.986 0.059) 14.718 11.535 ( 13.170 6.465 -1.971) 14.803 12.944 ( -5.674 2.459 0.068) 6.185 14.792 ( 6.561 -13.706 0.650) 15.209 15.370 ( 2.894 9.208 -1.431) 9.757 25.476 ( 0.604 0.340 -0.288) 0.751======================= Grid point 602 (288/488) =======================q-point: (-0.13 -0.40 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.639 ( -19.671 -3.695 3.071) 20.250 2.733 ( -14.716 -11.922 -0.293) 18.942 3.811 ( -14.992 -4.492 -2.960) 15.928 4.156 ( -7.608 -4.047 -18.182) 20.121 5.325 ( -11.751 -10.767 1.415) 16.000 6.026 ( 2.521 -13.302 10.813) 17.327 6.314 ( 3.202 -0.635 -0.881) 3.381 7.687 ( -1.915 2.096 2.571) 3.830 8.666 ( -2.229 -5.019 -12.109) 13.296 9.048 ( -2.649 5.519 4.658) 7.692 9.696 ( -0.961 -1.391 -2.187) 2.764 10.475 ( 12.461 9.368 8.581) 17.796 10.972 ( 12.664 9.001 0.188) 15.538 11.543 ( 12.146 7.579 -2.759) 14.580 12.823 ( -6.810 3.973 -0.194) 7.887 15.074 ( 4.140 -12.574 3.740) 13.756 15.241 ( 2.062 7.997 -5.423) 9.880 25.474 ( 0.497 0.437 -0.201) 0.691======================= Grid point 603 (289/488) =======================q-point: (-0.07 -0.40 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.505 ( -14.572 -3.389 4.351) 15.581 2.852 ( -8.207 -14.806 -6.924) 18.290 3.717 ( -13.292 -3.507 -3.775) 14.255 4.165 ( -1.715 -3.079 -14.872) 15.284 5.412 ( -8.304 -11.767 2.786) 14.669 6.265 ( -0.050 -11.360 9.899) 15.068 6.391 ( 1.217 -5.538 0.451) 5.688 7.606 ( -3.847 4.277 -0.199) 5.756 8.738 ( -0.078 -6.741 -6.948) 9.681 8.923 ( -2.756 6.923 4.053) 8.482 9.723 ( 2.561 -1.006 0.862) 2.883 10.435 ( 9.264 10.103 7.929) 15.835 10.932 ( 9.465 9.005 -1.018) 13.103 11.509 ( 10.338 9.824 -4.119) 14.844 12.694 ( -5.895 3.289 0.079) 6.751 15.129 ( 0.864 5.167 -2.630) 5.862 15.304 ( 3.069 -8.925 0.524) 9.452 25.471 ( 0.417 0.492 -0.152) 0.662======================= Grid point 614 (290/488) =======================q-point: (-0.33 -0.33 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 488Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.612 ( -15.846 -0.000 4.451) 16.460 2.627 ( -19.011 -0.000 -0.173) 19.012 3.854 ( -7.904 -0.000 -3.173) 8.518 4.409 ( -7.995 -0.000 -20.870) 22.349 5.040 ( -21.025 -0.000 11.034) 23.745 5.611 ( -6.603 -0.000 3.849) 7.643 6.396 ( 8.318 0.000 3.701) 9.104 7.925 ( -11.921 -0.000 -0.956) 11.959 8.490 ( -8.546 -0.000 -20.140) 21.878 9.314 ( 5.070 0.000 4.201) 6.585 9.577 ( -5.001 -0.000 2.648) 5.659 10.688 ( 6.416 0.000 5.805) 8.653 11.000 ( 9.859 0.000 -3.511) 10.465 11.600 ( 15.474 0.000 -1.608) 15.558 12.980 ( 1.910 0.000 0.707) 2.037 14.322 ( 3.172 0.000 0.514) 3.213 15.621 ( 6.929 0.000 0.500) 6.947 25.478 ( 0.831 0.000 -0.411) 0.927======================= Grid point 615 (291/488) =======================q-point: (-0.27 -0.33 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.447 ( -18.459 -2.874 -0.586) 18.691 2.516 ( -20.187 -7.216 6.317) 22.349 3.768 ( -9.839 -0.630 -3.231) 10.375 4.265 ( -15.695 -0.389 -21.494) 26.617 4.877 ( -25.039 -7.430 10.954) 28.322 5.602 ( 0.246 -2.281 3.418) 4.117 6.474 ( 11.944 3.985 -0.235) 12.593 7.781 ( -9.889 2.160 0.832) 10.156 8.432 ( -8.397 -5.922 -17.849) 20.596 9.323 ( 2.254 4.636 4.495) 6.840 9.567 ( -3.440 -3.485 2.069) 5.316 10.742 ( 11.179 4.589 6.684) 13.810 11.095 ( 11.321 0.722 -2.516) 11.619 11.715 ( 14.019 3.517 -3.440) 14.857 12.995 ( 0.399 0.708 0.611) 1.016 14.412 ( 3.165 -7.138 1.089) 7.884 15.640 ( 5.335 5.218 -0.904) 7.517 25.484 ( 0.749 0.139 -0.321) 0.827======================= Grid point 616 (292/488) =======================q-point: (-0.20 -0.33 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.353 ( -17.702 -8.094 -1.019) 19.491 2.450 ( -22.899 -8.617 9.465) 26.234 3.672 ( -12.341 -2.159 -2.668) 12.810 4.064 ( -18.876 -0.842 -20.795) 28.097 4.840 ( -23.311 -15.564 8.005) 29.150 5.696 ( 2.978 -6.161 3.518) 7.695 6.477 ( 9.734 8.364 -3.371) 13.270 7.711 ( -2.183 -0.687 3.932) 4.549 8.449 ( -7.517 -7.910 -15.922) 19.302 9.242 ( 0.249 6.386 5.254) 8.274 9.599 ( -3.000 -3.431 -0.203) 4.562 10.786 ( 15.726 7.593 8.060) 19.233 11.193 ( 13.533 2.581 -0.510) 13.786 11.760 ( 12.282 5.794 -4.855) 14.422 12.949 ( -2.768 3.471 0.121) 4.441 14.621 ( 3.514 -13.145 2.101) 13.768 15.553 ( 2.621 9.334 -3.086) 10.175 25.487 ( 0.647 0.298 -0.240) 0.752======================= Grid point 617 (293/488) =======================q-point: (-0.13 -0.33 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.356 ( -20.417 -6.753 5.883) 22.295 2.369 ( -16.812 -12.911 3.512) 21.486 3.590 ( -14.235 -3.829 -2.328) 14.923 3.920 ( -14.652 -7.170 -18.505) 24.669 4.927 ( -19.011 -18.479 3.776) 26.780 5.860 ( 1.281 -9.841 5.221) 11.213 6.416 ( 6.546 6.853 -3.111) 9.974 7.725 ( 2.332 1.584 2.826) 3.992 8.494 ( -6.165 -8.177 -12.029) 15.798 9.148 ( 1.000 6.530 4.876) 8.210 9.623 ( -2.719 -3.502 -1.124) 4.574 10.817 ( 17.701 10.629 9.306) 22.647 11.253 ( 13.935 7.565 0.172) 15.857 11.770 ( 11.341 6.131 -5.214) 13.907 12.834 ( -5.202 5.012 -0.487) 7.240 14.892 ( 2.351 -14.271 4.888) 15.267 15.399 ( 1.253 9.677 -6.837) 11.915 25.486 ( 0.546 0.430 -0.186) 0.719======================= Grid point 618 (294/488) =======================q-point: (-0.07 -0.33 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.278 ( -15.127 -6.817 7.251) 18.107 2.488 ( -11.030 -16.483 -1.304) 19.876 3.517 ( -11.613 -4.714 -3.597) 13.039 3.962 ( -8.169 -12.481 -14.791) 21.006 5.063 ( -14.585 -17.482 1.820) 22.839 6.047 ( -2.989 -12.166 7.731) 14.721 6.398 ( 5.231 1.871 -1.994) 5.903 7.674 ( 0.093 6.275 -0.424) 6.290 8.572 ( -4.237 -9.078 -6.892) 12.160 9.047 ( 1.126 8.040 4.087) 9.090 9.674 ( -0.389 -4.688 -0.436) 4.724 10.794 ( 15.754 14.523 10.307) 23.777 11.212 ( 10.685 11.728 -1.404) 15.928 11.760 ( 10.713 8.183 -5.746) 14.654 12.696 ( -5.720 4.258 -0.121) 7.132 15.116 ( -1.408 -8.980 11.565) 14.710 15.283 ( 4.615 4.105 -13.836) 15.152 25.483 ( 0.455 0.512 -0.177) 0.707======================= Grid point 630 (295/488) =======================q-point: (-0.27 -0.27 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 488Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.214 ( -22.365 -0.000 1.827) 22.439 2.266 ( -19.866 -0.000 5.793) 20.693 3.663 ( -10.065 -0.000 -3.168) 10.552 4.048 ( -21.559 -0.000 -17.286) 27.634 4.546 ( -29.538 -0.000 9.282) 30.962 5.597 ( 2.392 0.000 0.176) 2.399 6.669 ( 18.258 0.000 -3.903) 18.670 7.680 ( -12.026 -0.000 -0.554) 12.038 8.271 ( -7.813 -0.000 -12.239) 14.520 9.422 ( 4.523 0.000 3.157) 5.516 9.488 ( -4.740 -0.000 4.772) 6.726 10.917 ( 14.752 0.000 7.350) 16.482 11.206 ( 11.273 0.000 -2.864) 11.631 11.874 ( 12.878 0.000 -5.883) 14.158 13.020 ( 1.742 0.000 0.654) 1.860 14.364 ( -0.027 -0.000 2.176) 2.176 15.733 ( 4.247 0.000 -2.682) 5.023 25.492 ( 0.720 0.000 -0.252) 0.763======================= Grid point 631 (296/488) =======================q-point: (-0.20 -0.27 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.035 ( -22.303 -5.605 3.802) 23.309 2.119 ( -21.477 -5.713 7.849) 23.569 3.535 ( -12.720 1.303 -2.065) 12.953 3.807 ( -24.208 -1.670 -15.052) 28.555 4.355 ( -28.369 -11.492 7.668) 31.555 5.650 ( 3.269 -3.010 -2.813) 5.259 6.750 ( 13.936 10.321 -7.757) 18.998 7.634 ( -4.091 -6.493 0.481) 7.690 8.240 ( -5.401 -4.977 -6.543) 9.837 9.365 ( 0.396 6.273 5.462) 8.327 9.525 ( -1.053 -3.090 1.962) 3.809 11.064 ( 18.693 3.801 8.385) 20.837 11.329 ( 12.295 -1.170 -1.438) 12.433 11.953 ( 11.343 3.871 -7.829) 14.316 13.001 ( 0.037 3.942 0.278) 3.952 14.439 ( -1.530 -9.818 3.244) 10.453 15.705 ( 1.614 6.357 -5.060) 8.284 25.497 ( 0.661 0.186 -0.196) 0.714======================= Grid point 632 (297/488) =======================q-point: (-0.13 -0.27 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.985 ( -18.523 -12.446 5.951) 23.097 2.034 ( -21.141 -7.961 10.285) 24.821 3.398 ( -14.086 -2.269 -0.761) 14.288 3.599 ( -22.345 -5.499 -14.646) 27.277 4.381 ( -23.580 -20.843 5.685) 31.981 5.746 ( 1.732 -5.766 -3.494) 6.961 6.633 ( 5.623 11.563 -5.662) 14.049 7.760 ( 4.860 -4.589 -3.593) 7.589 8.291 ( -2.500 -6.202 -1.257) 6.804 9.280 ( 1.951 6.000 5.647) 8.467 9.549 ( -1.903 -2.056 0.483) 2.843 11.180 ( 20.820 7.933 8.994) 24.027 11.469 ( 13.533 1.237 0.528) 13.600 11.964 ( 9.949 5.593 -8.230) 14.071 12.892 ( -2.878 6.911 -0.812) 7.530 14.652 ( -1.666 -15.976 5.211) 16.887 15.557 ( -0.679 9.767 -8.297) 12.833 25.499 ( 0.568 0.371 -0.173) 0.700======================= Grid point 633 (298/488) =======================q-point: (-0.07 -0.27 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.998 ( -16.238 -9.683 8.064) 20.554 2.091 ( -12.133 -17.051 7.952) 22.387 3.326 ( -10.093 -4.395 -3.405) 11.523 3.573 ( -16.165 -16.777 -10.188) 25.428 4.550 ( -19.136 -23.429 3.120) 30.412 5.857 ( -1.921 -7.922 -1.735) 8.335 6.521 ( 4.134 6.508 -2.351) 8.060 7.794 ( 2.518 4.512 -7.239) 8.894 8.381 ( -1.269 -6.497 1.428) 6.772 9.209 ( 3.435 7.392 4.915) 9.518 9.588 ( -0.412 -4.617 0.711) 4.690 11.220 ( 18.902 13.548 9.973) 25.304 11.501 ( 10.252 9.816 -1.426) 14.265 11.969 ( 10.377 5.132 -6.552) 13.302 12.733 ( -4.635 6.784 -1.218) 8.306 14.909 ( -2.489 -15.136 9.404) 17.992 15.397 ( 1.844 6.896 -12.990) 14.822 25.496 ( 0.457 0.499 -0.197) 0.705======================= Grid point 646 (299/488) =======================q-point: (-0.20 -0.20 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 488Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.760 ( -23.522 -0.000 8.343) 24.958 1.861 ( -22.134 -0.000 8.970) 23.883 3.445 ( -10.498 -0.000 -3.726) 11.139 3.483 ( -31.766 -0.000 -2.707) 31.881 3.967 ( -28.758 -0.000 2.347) 28.853 5.654 ( 3.805 0.000 -8.568) 9.375 7.003 ( 13.332 0.000 -17.907) 22.324 7.453 ( -10.300 -0.000 -0.230) 10.302 8.211 ( 6.888 0.000 9.365) 11.625 9.423 ( -3.067 -0.000 6.416) 7.112 9.507 ( 3.265 0.000 1.988) 3.822 11.311 ( 21.949 0.000 9.300) 23.838 11.424 ( 10.976 0.000 -1.926) 11.144 12.083 ( 10.163 0.000 -10.205) 14.402 13.051 ( 1.172 0.000 0.496) 1.272 14.307 ( -7.187 -0.000 3.949) 8.200 15.758 ( -0.823 -0.000 -7.521) 7.566 25.505 ( 0.647 0.000 -0.166) 0.668======================= Grid point 647 (300/488) =======================q-point: (-0.13 -0.20 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.622 ( -20.014 -8.512 12.765) 25.218 1.713 ( -20.955 -6.659 12.613) 25.348 3.163 ( -29.479 -3.006 4.282) 29.940 3.331 ( -14.509 0.416 -8.208) 16.675 3.831 ( -24.286 -15.514 2.635) 28.938 5.693 ( 2.647 -2.181 -11.606) 12.102 6.868 ( -0.178 13.999 -11.716) 18.256 7.559 ( -5.573 -15.986 -12.409) 20.990 8.368 ( 20.976 2.081 20.585) 29.463 9.377 ( -0.358 3.283 6.839) 7.594 9.532 ( 1.035 0.551 1.112) 1.616 11.512 ( 21.801 3.876 6.851) 23.179 11.574 ( 13.413 -3.058 2.163) 13.927 12.127 ( 8.634 3.999 -10.923) 14.486 12.995 ( -0.764 7.050 -0.329) 7.098 14.347 ( -9.398 -14.285 4.550) 17.694 15.664 ( -3.801 6.475 -10.051) 12.545 25.509 ( 0.571 0.240 -0.169) 0.642======================= Grid point 648 (301/488) =======================q-point: (-0.07 -0.20 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.636 ( -18.486 -12.742 9.204) 24.265 1.743 ( -10.105 -14.219 19.703) 26.316 3.058 ( -23.569 -16.543 3.963) 29.067 3.189 ( -10.432 -1.996 -7.706) 13.122 3.956 ( -19.570 -23.678 2.832) 30.849 5.741 ( -0.298 -3.871 -11.513) 12.150 6.658 ( -1.236 8.065 -4.107) 9.135 7.697 ( -8.032 -10.711 -19.021) 23.260 8.525 ( 21.709 10.780 20.767) 31.918 9.346 ( 2.952 3.272 5.701) 7.206 9.535 ( 0.764 -1.170 1.685) 2.189 11.632 ( 20.630 9.874 7.686) 24.128 11.713 ( 9.844 3.547 0.531) 10.477 12.128 ( 9.452 3.661 -7.447) 12.578 12.828 ( -3.111 9.413 -2.098) 10.134 14.572 ( -8.245 -20.887 6.073) 23.262 15.495 ( -1.560 6.303 -12.742) 14.301 25.508 ( 0.435 0.444 -0.212) 0.657======================= Grid point 662 (302/488) =======================q-point: (-0.13 -0.13 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 488Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.387 ( -15.575 -0.000 23.450) 28.151 1.456 ( -20.741 -0.000 14.852) 25.511 2.791 ( -37.788 -0.000 12.875) 39.921 3.235 ( -9.043 -0.000 -4.820) 10.247 3.448 ( -22.113 -0.000 -2.537) 22.258 5.683 ( 2.253 0.000 -17.247) 17.393 6.971 ( -9.138 -0.000 -23.713) 25.413 7.275 ( -7.310 -0.000 -0.027) 7.310 8.749 ( 40.502 0.000 28.949) 49.784 9.417 ( 1.645 0.000 9.846) 9.982 9.562 ( 1.776 0.000 0.993) 2.035 11.623 ( 9.029 0.000 -0.964) 9.080 11.817 ( 24.789 0.000 8.316) 26.146 12.226 ( 7.352 0.000 -11.710) 13.827 13.068 ( 0.405 0.000 0.252) 0.477 14.062 ( -19.520 -0.000 2.995) 19.749 15.647 ( -7.636 -0.000 -11.114) 13.484 25.517 ( 0.512 0.000 -0.198) 0.549======================= Grid point 663 (303/488) =======================q-point: (-0.07 -0.13 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.308 ( -16.233 -6.189 19.590) 26.183 1.457 ( -7.059 -12.771 26.549) 30.294 2.534 ( -32.889 -12.149 16.363) 38.691 3.095 ( -7.607 1.853 -6.224) 10.002 3.429 ( -15.850 -17.233 -0.552) 23.420 5.681 ( 0.174 -1.129 -19.171) 19.205 6.733 ( -9.117 7.258 -8.900) 14.663 7.358 ( -8.889 -13.595 -10.438) 19.308 9.129 ( 41.438 13.439 23.626) 49.557 9.410 ( 2.681 5.853 9.993) 11.887 9.579 ( 5.984 1.316 5.109) 7.978 11.776 ( 9.803 -5.479 0.673) 11.251 11.997 ( 17.364 7.084 2.085) 18.869 12.267 ( 10.604 2.261 -5.479) 12.148 12.966 ( -2.013 9.956 -1.113) 10.218 14.056 ( -21.249 -23.561 0.915) 31.741 15.518 ( -6.399 2.618 -10.800) 12.823 25.518 ( 0.368 0.293 -0.244) 0.530======================= Grid point 678 (304/488) =======================q-point: (-0.07 -0.07 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 488Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.164 ( -11.923 -0.000 22.736) 25.672 1.335 ( 0.513 0.000 35.878) 35.882 2.112 ( -31.868 -0.000 28.885) 43.011 3.069 ( -5.746 -0.000 -6.158) 8.422 3.114 ( -9.727 -0.000 -2.781) 10.117 5.642 ( -0.773 -0.000 -23.400) 23.413 6.653 ( -14.541 -0.000 -9.819) 17.546 7.166 ( -3.537 -0.000 0.073) 3.538 9.359 ( 5.382 0.000 3.341) 6.334 9.584 ( 0.298 0.000 0.350) 0.460 10.141 ( 73.744 0.000 36.377) 82.228 11.771 ( 5.643 0.000 -0.237) 5.648 12.161 ( 3.010 0.000 -10.127) 10.565 12.428 ( 18.166 0.000 3.716) 18.542 13.069 ( -0.279 -0.000 0.006) 0.279 13.479 ( -39.568 -0.000 -2.948) 39.677 15.436 ( -8.954 -0.000 -5.511) 10.514 25.524 ( 0.244 0.000 -0.289) 0.378======================= Grid point 679 (305/488) =======================q-point: ( 0.00 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 480Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.583 ( 2.552 0.000 17.500) 17.685 1.731 ( -14.376 -0.000 20.471) 25.015 2.698 ( 15.405 0.000 5.351) 16.308 2.826 ( -1.112 -0.000 -7.761) 7.841 3.147 ( -1.090 -0.000 29.832) 29.852 4.957 ( -2.811 -0.000 -32.114) 32.237 6.452 ( -1.530 -0.000 -0.142) 1.537 7.138 ( 0.423 0.000 0.083) 0.431 9.496 ( 1.526 0.000 2.761) 3.155 9.579 ( -0.772 -0.000 0.072) 0.775 11.724 ( 0.932 0.000 -1.471) 1.741 11.842 ( 0.904 0.000 0.043) 0.905 12.032 ( 16.937 0.000 5.453) 17.794 12.597 ( -12.951 -0.000 -7.707) 15.070 12.806 ( 7.618 0.000 3.462) 8.368 13.057 ( -0.492 -0.000 -0.081) 0.499 15.356 ( 0.327 0.000 -0.060) 0.333 25.521 ( 0.087 0.000 -0.205) 0.223======================= Grid point 680 (306/488) =======================q-point: ( 0.07 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.677 ( -6.167 -4.738 22.723) 24.017 1.743 ( 3.755 -10.100 16.427) 19.646 2.760 ( 6.408 0.542 -2.790) 7.010 2.922 ( 6.518 -5.464 -10.989) 13.896 3.426 ( 10.730 -20.031 33.155) 40.195 4.917 ( -1.071 -2.597 -30.184) 30.314 6.450 ( -0.349 -0.586 0.210) 0.714 7.154 ( 2.211 -0.200 -0.864) 2.382 9.448 ( -4.960 8.961 2.659) 10.581 9.572 ( 2.647 -1.502 0.592) 3.100 10.943 ( -11.645 43.604 0.694) 45.138 11.878 ( -3.944 2.847 2.043) 5.276 11.999 ( -10.674 3.330 -1.211) 11.246 12.692 ( -9.256 4.867 -1.868) 10.623 12.929 ( 2.886 11.225 -0.479) 11.600 13.419 ( 25.974 -39.960 -1.509) 47.683 15.435 ( 2.624 -8.409 -4.232) 9.772 25.518 ( -0.022 0.359 -0.236) 0.431======================= Grid point 681 (307/488) =======================q-point: ( 0.13 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.780 ( -2.640 -9.795 18.172) 20.812 2.047 ( 9.349 -13.869 19.116) 25.400 2.878 ( 5.529 -7.816 -8.307) 12.675 3.076 ( 6.076 -8.165 -13.623) 17.006 4.013 ( 16.915 -26.997 26.831) 41.652 4.941 ( 0.586 -5.065 -23.427) 23.975 6.456 ( -0.643 -0.409 0.524) 0.924 7.188 ( 3.669 -0.771 -1.967) 4.234 9.118 ( -8.380 20.907 4.165) 22.906 9.645 ( 3.082 -2.946 0.756) 4.330 10.307 ( -6.209 22.160 -3.921) 23.345 11.728 ( -5.784 11.149 5.500) 13.712 11.803 ( -11.457 6.110 1.856) 13.116 12.291 ( -13.169 22.205 -2.229) 25.912 12.862 ( 2.878 3.125 -2.255) 4.810 14.171 ( 12.155 -26.167 2.708) 28.979 15.644 ( 4.437 -12.030 -11.664) 17.333 25.508 ( -0.224 0.668 -0.227) 0.740======================= Grid point 682 (308/488) =======================q-point: ( 0.20 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.981 ( 1.061 -12.135 11.514) 16.762 2.403 ( 10.320 -13.100 19.616) 25.747 3.075 ( 4.266 -10.557 -7.380) 13.569 3.288 ( 6.421 -12.505 -23.029) 26.980 4.687 ( 17.887 -28.091 20.743) 39.235 5.042 ( 2.852 -8.392 -12.536) 15.353 6.449 ( -1.479 0.001 0.538) 1.574 7.248 ( 4.628 -1.758 -2.142) 5.394 8.714 ( -4.440 17.833 3.218) 18.657 9.723 ( 3.560 -1.974 1.843) 4.468 9.972 ( -6.297 12.800 -7.121) 15.944 11.376 ( -12.559 20.122 12.604) 26.861 11.580 ( -8.042 10.309 1.641) 13.177 11.849 ( -8.050 15.512 -6.668) 18.706 12.834 ( 0.563 2.185 -2.127) 3.101 14.571 ( 2.969 -13.841 5.347) 15.132 15.839 ( 2.199 -8.507 -13.485) 16.095 25.492 ( -0.419 0.819 -0.133) 0.930======================= Grid point 683 (309/488) =======================q-point: ( 0.27 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.213 ( 2.512 -11.686 5.733) 13.256 2.724 ( 9.248 -10.670 14.300) 20.096 3.283 ( 4.176 -10.181 -3.576) 11.570 3.524 ( 4.121 -12.594 -28.146) 31.110 5.213 ( 5.266 -13.926 -5.032) 15.715 5.369 ( 16.616 -24.221 18.302) 34.607 6.432 ( -1.872 -0.207 0.028) 1.883 7.330 ( 4.813 -2.506 -1.961) 5.770 8.489 ( 1.635 7.968 2.558) 8.527 9.673 ( -7.898 12.485 -9.038) 17.319 9.791 ( 3.038 -0.368 5.718) 6.486 10.936 ( -10.107 18.745 10.450) 23.722 11.298 ( -8.387 13.332 -1.568) 15.829 11.571 ( -5.613 10.451 -3.102) 12.262 12.794 ( -0.861 2.043 -1.517) 2.686 14.749 ( -1.015 -6.661 4.284) 7.985 15.922 ( -1.112 -2.997 -10.875) 11.335 25.474 ( -0.486 0.758 0.005) 0.900======================= Grid point 684 (310/488) =======================q-point: ( 0.33 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.419 ( 2.550 -9.044 1.774) 9.563 2.976 ( 7.552 -7.864 4.836) 11.927 3.483 ( 4.335 -8.950 -1.816) 10.109 3.685 ( -0.257 -8.513 -22.472) 24.032 5.496 ( 6.113 -13.876 -0.831) 15.186 5.937 ( 14.568 -20.749 15.140) 29.529 6.430 ( -1.472 -1.938 -0.198) 2.442 7.417 ( 4.173 -2.756 -2.048) 5.404 8.472 ( 5.272 -0.464 3.230) 6.200 9.363 ( -9.206 12.130 -8.694) 17.535 9.827 ( 5.277 2.990 11.449) 12.956 10.619 ( -6.757 9.771 1.946) 12.039 10.982 ( -8.521 13.744 -2.157) 16.315 11.357 ( -4.324 9.126 -0.154) 10.100 12.746 ( -1.639 1.940 -1.008) 2.733 14.810 ( -2.357 -2.826 2.025) 4.200 15.899 ( -3.109 1.264 -7.342) 8.073 25.458 ( -0.395 0.519 0.110) 0.661======================= Grid point 685 (311/488) =======================q-point: ( 0.40 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.562 ( 2.146 -5.107 -0.484) 5.561 3.139 ( 5.167 -3.648 -4.634) 7.841 3.651 ( 3.087 -6.659 -1.535) 7.499 3.756 ( -2.859 -5.540 -12.579) 14.040 5.760 ( 5.074 -9.854 1.526) 11.188 6.348 ( 9.543 -9.277 8.035) 15.547 6.489 ( 0.202 -8.010 3.159) 8.612 7.490 ( 2.325 -2.158 -1.736) 3.616 8.581 ( 3.991 -5.137 3.501) 7.387 9.090 ( -5.013 10.007 -7.348) 13.389 9.831 ( 6.932 5.649 16.837) 19.064 10.483 ( -4.745 -0.307 -7.015) 8.475 10.680 ( -7.625 12.073 -1.158) 14.326 11.188 ( -2.404 6.845 1.003) 7.323 12.697 ( -1.893 1.599 -0.695) 2.573 14.820 ( -2.149 -1.415 -0.267) 2.587 15.815 ( -3.442 3.567 -3.887) 6.299 25.450 ( -0.199 0.201 0.114) 0.305======================= Grid point 686 (312/488) =======================q-point: ( 0.47 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.628 ( 1.653 -0.768 -1.568) 2.405 3.177 ( 1.351 1.964 -8.462) 8.791 3.742 ( -1.980 -3.452 -3.738) 5.460 3.811 ( 0.582 -4.659 -5.122) 6.948 5.900 ( 1.910 -1.925 3.289) 4.262 6.456 ( 2.415 -0.720 0.728) 2.623 6.684 ( 2.370 -7.284 6.989) 10.369 7.523 ( -0.857 -0.956 -0.332) 1.326 8.686 ( -2.743 -5.252 1.205) 6.046 8.935 ( 3.479 6.426 -4.437) 8.548 9.849 ( 8.395 3.519 17.272) 19.523 10.422 ( -8.987 5.139 -5.794) 11.864 10.508 ( 0.362 -2.751 -4.507) 5.293 11.102 ( 0.359 1.820 0.215) 1.867 12.658 ( -1.755 0.772 -0.298) 1.940 14.828 ( -0.743 -1.796 -2.333) 3.037 15.715 ( -2.530 4.189 -0.382) 4.909 25.448 ( 0.016 -0.094 0.004) 0.095======================= Grid point 687 (313/488) =======================q-point: (-0.47 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.617 ( 0.799 3.337 -1.794) 3.872 3.092 ( -2.113 6.113 -4.904) 8.117 3.726 ( -2.512 1.723 -3.250) 4.454 3.885 ( 0.179 -3.761 -7.216) 8.139 5.865 ( -2.020 6.643 4.665) 8.365 6.465 ( 1.427 1.882 -0.008) 2.362 6.738 ( -2.341 1.908 4.663) 5.556 7.512 ( -3.607 -0.857 1.195) 3.895 8.720 ( -1.424 -2.852 -1.734) 3.628 8.893 ( 1.929 3.376 -1.652) 4.225 9.919 ( 7.846 2.125 14.064) 16.245 10.295 ( -4.251 -1.200 -2.012) 4.854 10.606 ( 2.544 -7.314 -5.943) 9.762 11.143 ( 2.915 -4.703 -2.519) 6.079 12.638 ( -1.521 -0.328 0.481) 1.629 14.865 ( 1.370 -2.900 -4.207) 5.291 15.630 ( -1.095 4.021 3.389) 5.371 25.452 ( 0.184 -0.311 -0.173) 0.401======================= Grid point 688 (314/488) =======================q-point: (-0.40 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.530 ( -0.918 6.695 -1.142) 6.854 2.935 ( -3.518 8.780 1.699) 9.610 3.630 ( -2.294 6.260 -2.752) 7.212 3.894 ( -2.076 0.617 -11.654) 11.853 5.661 ( -6.008 13.436 5.424) 15.686 6.434 ( 1.827 3.123 -0.432) 3.644 6.593 ( -6.775 10.107 2.596) 12.441 7.495 ( -4.491 -2.159 0.541) 5.012 8.727 ( 3.590 6.102 -5.643) 9.053 8.873 ( -4.076 -5.958 3.614) 8.073 9.914 ( 2.107 5.733 7.779) 9.891 10.431 ( 5.434 -13.441 1.695) 14.597 10.782 ( 4.775 -10.160 -4.672) 12.159 11.294 ( 4.439 -9.218 -5.729) 11.727 12.637 ( -1.495 -1.090 1.698) 2.511 14.936 ( 3.420 -3.417 -6.188) 7.853 15.565 ( -0.008 4.285 7.417) 8.565 25.461 ( 0.278 -0.454 -0.339) 0.631======================= Grid point 689 (315/488) =======================q-point: (-0.33 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.376 ( -3.783 8.839 0.974) 9.664 2.744 ( -2.918 10.900 8.756) 14.283 3.473 ( -2.194 9.259 -3.156) 10.025 3.770 ( -4.993 8.198 -14.711) 17.565 5.326 ( -9.826 18.005 6.149) 21.414 6.286 ( -10.338 15.058 -1.527) 18.329 6.426 ( 3.990 1.559 0.196) 4.288 7.500 ( -4.075 -3.662 -3.190) 6.339 8.593 ( -1.869 7.571 -3.946) 8.740 9.024 ( 2.518 -10.411 6.972) 12.781 9.834 ( 0.621 6.001 5.174) 7.948 10.794 ( 10.035 -19.325 1.886) 21.857 11.020 ( 5.552 -12.656 -3.918) 14.365 11.504 ( 5.268 -10.887 -8.610) 14.847 12.645 ( -1.676 -1.321 3.087) 3.753 15.019 ( 4.739 -2.339 -8.958) 10.401 15.497 ( 0.014 5.793 11.570) 12.939 25.472 ( 0.309 -0.551 -0.422) 0.760======================= Grid point 690 (316/488) =======================q-point: (-0.27 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.171 ( -6.884 9.647 5.745) 13.170 2.543 ( -1.596 12.412 14.981) 19.520 3.281 ( -1.867 10.385 -4.334) 11.407 3.488 ( -7.214 15.380 -15.403) 22.932 4.888 ( -13.218 21.936 8.683) 27.043 5.904 ( -11.277 16.077 -6.917) 20.820 6.472 ( 4.637 -1.263 -1.224) 4.959 7.506 ( -4.773 -2.072 -9.227) 10.593 8.506 ( 0.066 -0.942 2.253) 2.442 9.256 ( 5.898 -10.380 9.795) 15.442 9.750 ( 1.133 5.776 4.143) 7.197 11.240 ( 7.193 -20.768 2.276) 22.096 11.302 ( 10.178 -14.433 -3.364) 17.978 11.727 ( 5.646 -10.823 -11.168) 16.545 12.656 ( -1.794 -1.629 4.061) 4.729 15.052 ( 3.136 3.316 -12.051) 12.886 15.406 ( 0.173 6.435 14.391) 15.765 25.484 ( 0.296 -0.618 -0.404) 0.796======================= Grid point 691 (317/488) =======================q-point: (-0.20 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.947 ( -8.171 9.339 13.036) 17.998 2.342 ( -1.960 12.614 19.427) 23.245 3.085 ( -1.853 13.180 -6.439) 14.785 3.112 ( -6.512 14.535 -12.252) 20.095 4.365 ( -15.141 25.221 13.380) 32.317 5.539 ( -9.816 12.683 -15.246) 22.128 6.531 ( 2.210 -1.262 -2.467) 3.544 7.416 ( -7.342 3.624 -11.237) 13.904 8.703 ( 7.658 -17.825 6.556) 20.478 9.483 ( 5.010 -6.897 11.299) 14.154 9.696 ( 5.336 3.299 4.643) 7.805 11.541 ( 2.057 -14.090 -1.904) 14.366 11.738 ( 14.808 -15.533 3.912) 21.814 11.956 ( 7.119 -12.930 -12.703) 19.474 12.680 ( -1.954 -3.044 3.788) 5.238 14.855 ( -6.049 18.125 -7.090) 20.380 15.371 ( 4.115 2.242 6.958) 8.389 25.497 ( 0.255 -0.634 -0.324) 0.756======================= Grid point 692 (318/488) =======================q-point: (-0.13 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.749 ( -6.270 8.145 19.474) 22.021 2.133 ( -6.614 10.804 19.892) 23.583 2.743 ( -2.181 15.749 -3.294) 16.237 2.951 ( -0.593 5.776 -7.885) 9.792 3.812 ( -14.041 25.202 18.219) 34.121 5.255 ( -7.350 7.838 -23.638) 25.966 6.537 ( -1.674 0.517 -2.910) 3.397 7.255 ( -6.183 4.494 -6.215) 9.852 9.192 ( 8.362 -24.841 2.509) 26.330 9.534 ( -0.134 2.512 5.734) 6.262 9.912 ( 19.992 -15.302 14.214) 28.912 11.765 ( 1.960 -10.526 -2.403) 10.973 11.982 ( 7.137 -2.734 -1.991) 7.898 12.337 ( 16.135 -16.095 -1.420) 22.834 12.738 ( -3.483 -7.260 1.662) 8.222 14.311 ( -16.529 32.774 -4.120) 36.937 15.393 ( 4.813 2.072 0.453) 5.259 25.509 ( 0.195 -0.548 -0.244) 0.631======================= Grid point 693 (319/488) =======================q-point: (-0.07 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.613 ( -2.030 6.104 20.364) 21.356 1.907 ( -13.667 6.482 17.393) 23.050 2.588 ( 7.708 5.749 8.826) 13.053 2.871 ( -0.262 2.314 -8.545) 8.856 3.343 ( -9.221 18.844 22.817) 30.996 5.065 ( -4.920 3.431 -29.662) 30.263 6.488 ( -3.212 1.162 -1.550) 3.751 7.157 ( -2.316 1.555 -1.253) 3.058 9.495 ( 3.079 2.451 3.044) 4.975 9.516 ( -0.999 -8.793 0.468) 8.862 10.724 ( 31.982 -45.727 12.730) 57.235 11.914 ( 1.256 -5.635 -2.103) 6.144 12.026 ( 7.461 5.946 -1.792) 9.707 12.658 ( 13.980 -1.992 1.859) 14.243 12.887 ( -3.017 -13.608 0.306) 13.942 13.452 ( -25.843 41.375 -3.626) 48.918 15.384 ( 2.268 3.241 -0.872) 4.050 25.517 ( 0.137 -0.326 -0.203) 0.408======================= Grid point 695 (320/488) =======================q-point: ( 0.07 0.07 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 480Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.614 ( -1.681 -0.000 25.908) 25.962 1.756 ( 9.967 0.000 12.380) 15.894 2.847 ( 5.104 0.000 -6.186) 8.020 2.924 ( 8.427 0.000 -12.438) 15.024 3.447 ( 19.843 0.000 36.412) 41.468 4.862 ( 2.188 0.000 -29.204) 29.286 6.455 ( 1.675 0.000 -1.186) 2.053 7.188 ( 4.502 0.000 -0.281) 4.511 9.495 ( -3.303 -0.000 1.480) 3.620 9.554 ( -1.763 -0.000 0.815) 1.942 11.091 ( -40.541 -0.000 -0.429) 40.543 11.809 ( -4.023 -0.000 -0.855) 4.113 11.912 ( -10.882 -0.000 -2.291) 11.121 12.599 ( -11.193 -0.000 -4.284) 11.985 13.046 ( -0.600 -0.000 0.389) 0.716 13.493 ( 46.639 0.000 -0.898) 46.647 15.354 ( -0.469 -0.000 -2.976) 3.012 25.520 ( -0.176 -0.000 -0.248) 0.304======================= Grid point 696 (321/488) =======================q-point: ( 0.13 0.07 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.704 ( 5.935 -3.682 22.249) 23.319 1.979 ( 12.609 -10.340 12.622) 20.620 2.886 ( 8.569 0.513 -5.626) 10.263 3.021 ( 6.876 -3.947 -14.371) 16.413 3.871 ( 22.743 -17.179 27.722) 39.760 4.878 ( 4.801 -2.048 -23.361) 23.937 6.468 ( 2.195 0.699 -2.072) 3.098 7.236 ( 6.135 0.516 -0.668) 6.192 9.308 ( -10.441 12.909 2.732) 16.826 9.598 ( -0.586 -4.712 0.194) 4.753 10.536 ( -20.686 18.812 -6.178) 28.635 11.747 ( -13.341 3.435 1.219) 13.830 11.775 ( -7.594 1.536 2.283) 8.077 12.386 ( -19.436 8.239 -3.943) 21.476 12.958 ( 0.783 7.031 -0.736) 7.112 14.051 ( 30.282 -13.791 1.840) 33.325 15.441 ( -0.569 -11.021 -8.016) 13.640 25.514 ( -0.421 0.386 -0.217) 0.611======================= Grid point 697 (322/488) =======================q-point: ( 0.20 0.07 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.900 ( 10.612 -6.352 15.474) 19.809 2.337 ( 13.615 -13.021 15.791) 24.581 3.006 ( 9.990 -4.651 -6.948) 13.027 3.157 ( 6.660 -7.304 -21.000) 23.210 4.476 ( 21.551 -23.547 20.033) 37.686 4.964 ( 6.687 -4.595 -13.329) 15.604 6.466 ( 1.853 1.706 -2.218) 3.356 7.294 ( 7.015 0.325 -0.646) 7.052 8.940 ( -9.878 16.433 2.349) 19.317 9.677 ( -0.927 -5.366 -0.113) 5.447 10.118 ( -8.118 14.474 -10.441) 19.607 11.474 ( -18.214 10.320 7.994) 22.409 11.652 ( -7.868 5.499 4.976) 10.812 11.987 ( -15.478 14.483 -5.521) 21.904 12.873 ( -0.043 3.723 -1.891) 4.176 14.472 ( 14.699 -9.189 5.640) 18.230 15.629 ( -2.490 -13.360 -12.579) 18.518 25.499 ( -0.639 0.659 -0.111) 0.925======================= Grid point 698 (323/488) =======================q-point: ( 0.27 0.07 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.150 ( 13.162 -6.764 9.524) 17.598 2.684 ( 12.005 -10.040 15.737) 22.194 3.200 ( 9.714 -6.951 -5.590) 13.189 3.345 ( 7.138 -10.900 -28.267) 31.125 5.059 ( 13.465 -15.609 -1.873) 20.699 5.179 ( 12.406 -17.480 13.262) 25.206 6.445 ( 1.312 2.243 -2.400) 3.537 7.364 ( 7.029 -0.288 -0.219) 7.039 8.648 ( -2.556 10.452 0.795) 10.789 9.721 ( -8.625 0.219 -4.211) 9.600 9.835 ( 0.455 8.255 -6.248) 10.363 11.089 ( -18.323 14.106 12.018) 26.061 11.436 ( -8.098 11.718 2.920) 14.540 11.653 ( -9.500 9.550 -4.738) 14.279 12.817 ( -0.876 2.436 -1.517) 3.000 14.689 ( 6.141 -4.226 5.579) 9.311 15.765 ( -5.543 -9.561 -11.989) 16.306 25.480 ( -0.712 0.718 0.038) 1.012======================= Grid point 699 (324/488) =======================q-point: ( 0.33 0.07 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.397 ( 14.474 -4.818 4.864) 16.012 2.949 ( 9.690 -7.018 8.482) 14.666 3.394 ( 6.568 -7.459 -7.712) 12.580 3.557 ( 8.335 -8.280 -20.896) 23.972 5.342 ( 8.313 -12.143 -2.968) 15.013 5.724 ( 12.747 -23.289 16.364) 31.187 6.421 ( 1.287 1.402 -2.349) 3.023 7.439 ( 6.243 -0.635 -0.141) 6.277 8.545 ( 3.208 3.099 0.291) 4.470 9.455 ( -9.969 11.382 -8.924) 17.566 9.866 ( 2.627 -2.813 2.499) 4.589 10.716 ( -14.113 12.130 8.501) 20.459 11.132 ( -8.228 14.330 -0.522) 16.533 11.434 ( -7.227 7.267 -0.036) 10.249 12.768 ( -0.669 2.300 -0.756) 2.511 14.775 ( 1.668 -1.290 3.603) 4.175 15.804 ( -7.331 -4.935 -9.158) 12.726 25.463 ( -0.612 0.562 0.157) 0.846======================= Grid point 700 (325/488) =======================q-point: ( 0.40 0.07 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.602 ( 15.143 -1.231 1.502) 15.267 3.133 ( 7.360 -4.018 -2.000) 8.621 3.551 ( 2.144 -7.325 -8.628) 11.520 3.714 ( 9.507 -2.398 -7.690) 12.461 5.628 ( 6.617 -12.452 -0.620) 14.114 6.202 ( 6.896 -19.539 12.660) 24.281 6.425 ( 1.849 -0.348 -1.602) 2.471 7.502 ( 4.390 -0.291 -0.146) 4.402 8.571 ( 3.158 -0.979 -0.212) 3.313 9.194 ( -4.432 9.059 -5.820) 11.644 9.941 ( 3.442 -1.425 7.575) 8.441 10.444 ( -10.760 5.921 -0.051) 12.282 10.815 ( -7.839 13.471 -0.390) 15.591 11.257 ( -5.668 6.242 1.553) 8.573 12.725 ( 0.263 2.609 -0.222) 2.632 14.793 ( -0.318 -0.273 1.474) 1.533 15.771 ( -7.402 -1.572 -5.934) 9.616 25.451 ( -0.398 0.275 0.179) 0.516======================= Grid point 701 (326/488) =======================q-point: ( 0.47 0.07 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.740 ( 15.359 3.250 -0.784) 15.719 3.209 ( 3.383 0.661 -9.332) 9.948 3.666 ( 1.293 -5.985 -4.092) 7.365 3.813 ( 8.969 0.929 -2.140) 9.267 5.849 ( 3.129 -7.329 1.097) 8.044 6.458 ( 0.974 -1.977 -1.048) 2.441 6.533 ( 1.676 -12.750 9.169) 15.794 7.525 ( 1.062 1.043 0.865) 1.722 8.604 ( -1.524 -1.987 -1.200) 2.777 9.067 ( 3.684 5.613 -3.146) 7.415 9.995 ( 5.215 1.816 14.496) 15.513 10.309 ( -9.835 -1.865 -10.521) 14.522 10.555 ( -5.196 8.527 0.981) 10.034 11.129 ( -3.702 3.255 0.904) 5.011 12.687 ( 1.333 2.836 0.216) 3.141 14.798 ( -0.142 -0.949 -0.377) 1.031 15.706 ( -6.224 0.134 -2.582) 6.739 25.446 ( -0.161 -0.031 0.080) 0.183======================= Grid point 702 (327/488) =======================q-point: (-0.47 0.07 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.794 ( 14.647 8.120 -2.589) 16.946 3.164 ( 0.072 4.847 -6.943) 8.468 3.766 ( 4.003 -2.941 -3.230) 5.925 3.849 ( 5.138 2.804 -2.326) 6.299 5.917 ( -1.236 0.853 3.135) 3.477 6.489 ( 1.228 -0.424 -1.322) 1.853 6.679 ( -4.776 -5.151 6.110) 9.309 7.495 ( -2.179 1.813 2.835) 4.009 8.629 ( -1.827 -3.988 -0.124) 4.388 9.017 ( 4.302 6.376 -4.180) 8.754 10.048 ( 6.976 1.316 15.535) 17.080 10.206 ( -10.412 -0.004 -8.289) 13.308 10.500 ( -0.374 -4.963 -3.448) 6.055 11.093 ( -1.103 -2.150 -1.467) 2.827 12.659 ( 1.914 2.506 0.925) 3.286 14.833 ( 1.894 -2.521 -2.066) 3.769 15.644 ( -4.509 0.570 1.038) 4.662 25.448 ( 0.021 -0.278 -0.106) 0.298======================= Grid point 703 (328/488) =======================q-point: (-0.40 0.07 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.749 ( 11.219 12.576 -3.998) 17.321 3.055 ( 0.733 7.635 0.760) 7.707 3.785 ( 8.057 8.846 -1.427) 12.050 3.846 ( -1.914 -2.052 -8.412) 8.868 5.806 ( -5.038 9.188 4.865) 11.553 6.487 ( 0.837 1.644 -2.235) 2.898 6.629 ( -9.083 3.235 4.061) 10.462 7.446 ( -3.393 0.734 3.394) 4.855 8.715 ( 0.118 -7.216 3.350) 7.957 8.899 ( 0.141 9.579 -6.842) 11.772 10.029 ( -1.865 5.397 4.350) 7.178 10.249 ( 1.888 -11.192 2.999) 11.740 10.637 ( 1.767 -10.380 -4.902) 11.615 11.175 ( 1.350 -7.732 -4.567) 9.081 12.645 ( 1.728 1.682 2.039) 3.158 14.915 ( 4.868 -3.601 -3.917) 7.211 15.600 ( -3.054 0.746 4.969) 5.880 25.455 ( 0.120 -0.444 -0.300) 0.550======================= Grid point 704 (329/488) =======================q-point: (-0.33 0.07 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.594 ( 5.363 15.126 -2.463) 16.237 2.933 ( 3.727 10.640 7.457) 13.517 3.671 ( 5.322 11.949 -1.701) 13.191 3.801 ( -3.082 3.584 -13.280) 14.096 5.538 ( -7.321 16.031 6.272) 18.707 6.380 ( -11.618 9.556 -1.838) 15.155 6.493 ( 1.192 2.705 1.092) 3.151 7.420 ( -3.099 -1.172 0.672) 3.381 8.691 ( -5.681 8.790 -6.144) 12.136 8.895 ( 4.976 -9.336 6.728) 12.538 9.928 ( -2.029 4.593 2.869) 5.783 10.532 ( 3.597 -18.317 1.140) 18.701 10.852 ( 3.644 -12.797 -3.697) 13.809 11.348 ( 2.641 -11.112 -7.393) 13.606 12.642 ( 1.075 0.869 3.310) 3.587 15.029 ( 7.599 -3.078 -6.462) 10.439 15.564 ( -2.394 1.855 9.091) 9.582 25.464 ( 0.148 -0.557 -0.427) 0.717======================= Grid point 705 (330/488) =======================q-point: (-0.27 0.07 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.365 ( 1.038 15.719 2.464) 15.945 2.787 ( 4.027 13.435 12.061) 18.498 3.501 ( 4.332 13.704 -2.523) 14.592 3.620 ( -4.710 10.849 -16.782) 20.531 5.158 ( -8.081 21.347 8.646) 24.408 6.030 ( -13.954 14.805 -4.483) 20.833 6.502 ( 3.343 -0.088 -0.391) 3.367 7.417 ( -3.187 -1.969 -4.787) 6.079 8.507 ( -5.011 4.307 -3.200) 7.342 9.147 ( 6.657 -11.770 11.018) 17.442 9.845 ( -0.687 4.196 2.332) 4.849 10.902 ( 0.386 -22.630 -1.539) 22.686 11.131 ( 6.620 -15.566 -1.609) 16.991 11.560 ( 2.572 -12.224 -9.698) 15.814 12.646 ( 0.663 0.284 4.190) 4.252 15.127 ( 7.701 0.493 -9.726) 12.416 15.511 ( -1.115 3.796 12.542) 13.151 25.475 ( 0.134 -0.643 -0.450) 0.796======================= Grid point 706 (331/488) =======================q-point: (-0.20 0.07 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.117 ( -0.833 14.624 9.204) 17.300 2.591 ( 0.142 15.285 15.740) 21.941 3.306 ( 3.744 13.827 -3.783) 14.815 3.323 ( -2.834 16.377 -17.525) 24.153 4.699 ( -7.491 25.993 13.352) 30.166 5.637 ( -12.358 14.383 -11.339) 22.094 6.539 ( 2.058 -0.463 -0.716) 2.228 7.377 ( -5.103 1.335 -9.547) 10.907 8.506 ( -0.685 -9.400 2.114) 9.659 9.420 ( 6.741 -9.860 12.145) 17.034 9.792 ( 2.247 2.614 2.277) 4.131 11.252 ( -2.527 -20.709 -0.399) 20.867 11.515 ( 7.678 -21.815 0.426) 23.131 11.767 ( 1.287 -11.997 -11.982) 17.004 12.659 ( 1.098 -0.238 4.043) 4.197 15.065 ( -1.073 11.559 -6.526) 13.317 15.489 ( 6.717 2.978 7.352) 10.394 25.487 ( 0.101 -0.705 -0.390) 0.812======================= Grid point 707 (332/488) =======================q-point: (-0.13 0.07 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.904 ( -0.385 11.900 16.332) 20.211 2.318 ( -6.645 16.219 16.961) 24.390 3.008 ( 1.381 16.974 -11.499) 20.549 3.124 ( 4.800 12.068 -7.138) 14.819 4.198 ( -4.570 28.911 19.451) 35.143 5.298 ( -8.884 10.603 -19.799) 24.153 6.539 ( -1.048 1.226 -0.642) 1.736 7.260 ( -4.782 3.977 -8.025) 10.153 8.810 ( 1.366 -24.320 3.812) 24.654 9.576 ( 2.461 -0.697 6.462) 6.950 9.882 ( 9.635 -7.901 6.469) 14.040 11.544 ( -1.377 -16.597 1.779) 16.748 11.891 ( -0.989 -11.471 0.653) 11.532 12.033 ( 3.309 -25.628 -9.347) 27.480 12.689 ( 2.609 -0.657 2.504) 3.675 14.700 ( -7.707 25.873 -1.790) 27.056 15.533 ( 10.881 4.244 -1.514) 11.777 25.499 ( 0.066 -0.707 -0.305) 0.773======================= Grid point 708 (333/488) =======================q-point: (-0.07 0.07 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.766 ( 1.109 8.420 20.885) 22.546 1.988 ( -9.479 15.172 16.585) 24.395 2.791 ( 5.220 10.929 -3.662) 12.653 2.991 ( 5.461 8.542 -9.661) 14.005 3.734 ( 1.753 27.753 25.687) 37.856 5.058 ( -4.891 6.220 -26.696) 27.844 6.488 ( -2.424 1.958 0.145) 3.120 7.167 ( -1.061 2.179 -3.630) 4.365 9.233 ( -3.373 -22.845 3.048) 23.293 9.576 ( 2.951 2.801 2.383) 4.715 10.281 ( 10.099 -27.990 6.297) 30.415 11.770 ( -1.047 -11.275 2.343) 11.563 11.995 ( -5.251 -6.565 -2.449) 8.756 12.494 ( -4.265 -27.258 -0.401) 27.592 12.746 ( 6.935 -1.004 -0.028) 7.007 14.071 ( -3.891 40.961 -1.963) 41.192 15.530 ( 8.306 7.699 -5.280) 12.496 25.510 ( 0.036 -0.602 -0.248) 0.652======================= Grid point 711 (334/488) =======================q-point: ( 0.13 0.13 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 480Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.824 ( 15.145 0.000 22.360) 27.006 2.023 ( 13.665 0.000 6.503) 15.134 2.988 ( 9.925 0.000 -3.610) 10.561 3.041 ( 7.851 0.000 -16.922) 18.654 4.008 ( 26.125 0.000 24.814) 36.031 4.899 ( 8.125 0.000 -19.338) 20.976 6.502 ( 3.649 0.000 -4.496) 5.791 7.314 ( 8.068 0.000 -0.667) 8.096 9.314 ( -15.512 -0.000 -0.624) 15.525 9.513 ( -2.652 -0.000 1.753) 3.179 10.465 ( -18.826 -0.000 -7.704) 20.342 11.657 ( -16.175 -0.000 4.958) 16.918 11.682 ( -8.072 -0.000 -1.928) 8.299 12.227 ( -21.556 -0.000 -6.547) 22.528 13.033 ( -0.900 -0.000 0.862) 1.247 14.261 ( 29.440 0.000 1.004) 29.457 15.316 ( -2.320 -0.000 -4.774) 5.308 25.511 ( -0.690 -0.000 -0.177) 0.713======================= Grid point 712 (335/488) =======================q-point: ( 0.20 0.13 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.020 ( 18.908 -0.206 15.498) 24.449 2.287 ( 15.075 -11.371 8.510) 20.711 3.084 ( 12.198 0.113 -4.078) 12.862 3.119 ( 7.786 -2.717 -20.219) 21.836 4.420 ( 24.616 -13.493 19.401) 34.123 4.982 ( 10.099 -1.510 -12.465) 16.114 6.522 ( 4.153 1.575 -5.494) 7.065 7.390 ( 9.188 1.168 -0.570) 9.279 9.041 ( -15.422 10.010 -1.691) 18.463 9.546 ( -4.239 -5.783 0.434) 7.183 10.230 ( -7.794 9.419 -10.684) 16.236 11.423 ( -21.040 5.977 8.492) 23.463 11.603 ( -10.148 -0.313 0.752) 10.181 11.965 ( -18.637 5.370 -6.736) 20.532 12.965 ( -0.018 5.977 0.308) 5.985 14.550 ( 18.465 -3.618 3.529) 19.144 15.371 ( -4.207 -9.993 -6.791) 12.793 25.500 ( -0.911 0.350 -0.079) 0.979======================= Grid point 713 (336/488) =======================q-point: ( 0.27 0.13 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.261 ( 20.546 -2.675 10.376) 23.172 2.652 ( 13.777 -11.716 11.765) 21.575 3.216 ( 9.006 -3.340 -17.015) 19.540 3.257 ( 13.242 -5.947 -13.866) 20.075 4.946 ( 20.369 -18.523 12.517) 30.243 5.116 ( 9.859 -4.324 -2.632) 11.082 6.516 ( 4.187 3.203 -5.752) 7.802 7.458 ( 9.301 1.630 0.270) 9.447 8.756 ( -7.889 8.330 -3.042) 11.869 9.585 ( -7.286 -4.746 -2.085) 8.942 9.985 ( -2.676 11.116 -9.974) 15.173 11.086 ( -22.614 8.832 11.013) 26.659 11.477 ( -10.624 3.750 2.579) 11.558 11.687 ( -12.196 7.908 -4.906) 15.341 12.874 ( 0.566 4.865 -0.202) 4.902 14.735 ( 9.244 -1.332 5.083) 10.634 15.495 ( -7.357 -12.013 -8.650) 16.530 25.482 ( -0.974 0.529 0.053) 1.109======================= Grid point 714 (337/488) =======================q-point: ( 0.33 0.13 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.533 ( 21.800 -2.740 6.748) 22.985 2.949 ( 10.855 -7.359 10.389) 16.730 3.335 ( 5.981 -5.026 -19.185) 20.715 3.524 ( 17.087 -8.554 -11.865) 22.493 5.278 ( 11.134 -6.225 -4.281) 13.455 5.487 ( 11.194 -21.439 16.013) 29.006 6.491 ( 4.358 3.724 -5.394) 7.871 7.521 ( 8.390 1.628 1.159) 8.625 8.615 ( -0.441 3.347 -4.053) 5.275 9.487 ( -10.346 5.319 -6.568) 13.360 9.857 ( 1.110 1.188 -3.358) 3.731 10.739 ( -18.965 9.044 9.870) 23.213 11.255 ( -10.332 10.379 0.246) 14.648 11.464 ( -8.507 6.145 0.216) 10.496 12.816 ( 1.252 3.304 0.122) 3.535 14.805 ( 3.374 0.725 4.132) 5.384 15.579 ( -9.595 -9.618 -7.920) 15.726 25.465 ( -0.851 0.491 0.162) 0.996======================= Grid point 715 (338/488) =======================q-point: ( 0.40 0.13 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.791 ( 22.353 -0.448 3.177) 22.582 3.152 ( 9.552 -3.769 1.856) 10.435 3.448 ( 2.734 -6.031 -12.194) 13.876 3.799 ( 18.014 -3.997 -7.672) 19.983 5.506 ( 8.110 -9.898 -1.658) 12.904 5.933 ( 3.845 -20.143 12.167) 23.845 6.478 ( 5.057 2.420 -3.767) 6.755 7.570 ( 6.298 1.889 1.649) 6.779 8.593 ( 1.497 0.638 -5.057) 5.313 9.280 ( -4.418 7.229 -4.216) 9.463 9.902 ( 0.762 -4.485 -1.093) 4.678 10.442 ( -14.472 7.658 6.431) 17.590 10.954 ( -9.411 13.001 -0.673) 16.064 11.293 ( -7.273 5.604 2.767) 9.590 12.786 ( 2.725 2.871 0.556) 3.997 14.806 ( 0.146 1.283 2.558) 2.865 15.604 ( -10.106 -6.543 -6.001) 13.452 25.451 ( -0.603 0.287 0.185) 0.693======================= Grid point 716 (339/488) =======================q-point: ( 0.47 0.13 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.993 ( 21.723 3.041 -0.954) 21.956 3.257 ( 7.005 0.995 -7.260) 10.137 3.570 ( 2.210 -6.888 -1.256) 7.342 3.982 ( 17.513 2.425 -4.105) 18.151 5.738 ( 4.185 -9.743 -0.623) 10.622 6.251 ( -3.582 -16.111 7.590) 18.166 6.507 ( 5.137 -0.056 -0.621) 5.175 7.579 ( 2.688 2.944 2.531) 4.722 8.578 ( -0.985 0.508 -5.071) 5.191 9.183 ( 3.837 4.174 -1.447) 5.851 9.999 ( 0.506 -6.177 -0.646) 6.232 10.220 ( -10.284 4.818 2.580) 11.646 10.659 ( -7.778 11.262 0.242) 13.689 11.142 ( -6.434 4.306 2.316) 8.081 12.771 ( 4.332 3.470 0.786) 5.605 14.791 ( -0.453 0.168 1.265) 1.354 15.588 ( -9.271 -4.302 -3.609) 10.839 25.444 ( -0.328 0.019 0.094) 0.342======================= Grid point 717 (340/488) =======================q-point: ( 0.53 0.13 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.106 ( 17.335 7.156 -7.930) 20.361 3.259 ( 7.275 4.978 -2.897) 9.279 3.702 ( 2.511 -5.432 1.291) 6.122 4.063 ( 16.172 7.253 -2.647) 17.921 5.879 ( -0.588 -4.401 1.485) 4.682 6.417 ( -5.718 -9.185 1.602) 10.938 6.565 ( 0.508 -2.328 2.980) 3.816 7.532 ( -1.029 3.942 4.479) 6.055 8.569 ( -0.438 -1.607 -2.540) 3.038 9.159 ( 5.028 5.482 -2.931) 7.995 10.056 ( -11.521 -2.793 -12.094) 16.936 10.128 ( 4.317 -0.884 12.877) 13.611 10.464 ( -4.065 3.796 -0.045) 5.562 11.045 ( -4.887 0.199 -0.005) 4.891 12.755 ( 5.002 4.319 1.107) 6.700 14.811 ( 1.576 -2.135 0.136) 2.658 15.560 ( -7.752 -3.211 -0.811) 8.430 25.443 ( -0.115 -0.222 -0.084) 0.264======================= Grid point 718 (341/488) =======================q-point: (-0.40 0.13 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.058 ( 6.747 10.533 -10.469) 16.312 3.263 ( 15.740 9.445 4.306) 18.854 3.779 ( -0.956 -2.441 -2.847) 3.871 4.065 ( 14.879 10.653 -1.956) 18.404 5.868 ( -4.304 3.152 3.829) 6.567 6.461 ( -7.212 -3.624 -1.014) 8.135 6.573 ( -3.219 0.184 2.961) 4.378 7.458 ( -2.320 3.249 5.885) 7.111 8.623 ( 0.837 -4.469 1.559) 4.807 9.060 ( 1.308 9.634 -6.248) 11.557 9.962 ( -11.341 -2.807 -9.548) 15.088 10.222 ( 6.572 -0.926 13.481) 15.027 10.474 ( -1.102 -7.829 -4.029) 8.873 11.052 ( -2.216 -5.784 -3.330) 7.032 12.731 ( 4.393 4.410 1.782) 6.475 14.897 ( 5.159 -4.195 -1.310) 6.777 15.541 ( -6.222 -2.828 2.433) 7.255 25.448 ( -0.001 -0.398 -0.282) 0.487======================= Grid point 719 (342/488) =======================q-point: (-0.33 0.13 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.895 ( 3.951 13.827 -5.210) 15.295 3.237 ( 15.473 13.968 6.769) 21.916 3.750 ( -4.972 1.112 -8.542) 9.946 4.004 ( 12.857 13.205 -2.840) 18.647 5.708 ( -5.283 10.663 5.655) 13.175 6.361 ( -13.683 3.379 -0.154) 14.095 6.537 ( 0.392 1.744 0.219) 1.801 7.404 ( -1.649 1.651 4.358) 4.943 8.698 ( -3.467 -1.237 1.997) 4.188 8.906 ( 3.074 5.033 -3.007) 6.620 9.899 ( -8.790 -2.596 -5.891) 10.895 10.355 ( 5.114 -6.978 7.102) 11.193 10.652 ( 1.023 -13.331 -2.933) 13.688 11.173 ( -0.114 -10.275 -6.460) 12.138 12.705 ( 3.181 3.532 2.635) 5.435 15.039 ( 8.193 -4.625 -3.575) 10.065 15.534 ( -4.892 -2.216 6.060) 8.097 25.455 ( 0.027 -0.520 -0.423) 0.671======================= Grid point 720 (343/488) =======================q-point: (-0.27 0.13 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.672 ( 3.332 16.773 0.312) 17.103 3.115 ( 8.789 16.765 9.858) 21.342 3.636 ( -4.648 4.743 -12.020) 13.733 3.865 ( 9.660 16.333 -6.476) 20.051 5.438 ( -3.498 17.332 8.019) 19.415 6.093 ( -15.233 10.576 -1.637) 18.617 6.529 ( 1.548 0.392 -0.281) 1.621 7.378 ( -1.068 0.477 -0.195) 1.186 8.541 ( -6.845 7.588 -4.873) 11.322 9.044 ( 6.982 -9.974 10.442) 16.039 9.849 ( -5.758 -0.960 -2.843) 6.493 10.574 ( 0.683 -14.891 -0.241) 14.908 10.917 ( 3.368 -16.015 0.053) 16.366 11.354 ( 0.026 -12.319 -8.879) 15.185 12.688 ( 2.350 2.217 3.102) 4.478 15.177 ( 6.981 -2.303 -6.047) 9.519 15.536 ( -1.428 -1.066 8.790) 8.969 25.464 ( 0.003 -0.619 -0.464) 0.773======================= Grid point 721 (344/488) =======================q-point: (-0.20 0.13 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.417 ( 3.165 17.828 5.639) 18.965 2.884 ( -0.737 17.585 12.506) 21.591 3.473 ( -1.468 9.143 -13.092) 16.036 3.647 ( 7.772 18.387 -10.311) 22.468 5.095 ( 0.031 23.281 12.542) 26.444 5.732 ( -13.527 13.899 -6.093) 20.330 6.546 ( 0.766 -0.490 0.065) 0.911 7.350 ( -1.891 1.323 -5.548) 6.009 8.403 ( -4.129 0.012 -1.455) 4.378 9.325 ( 7.357 -11.908 13.705) 19.590 9.814 ( -2.603 -0.580 -1.511) 3.065 10.851 ( -3.675 -20.431 -2.088) 20.863 11.244 ( 3.939 -18.359 2.353) 18.924 11.544 ( -1.369 -12.660 -10.829) 16.715 12.690 ( 2.559 0.866 2.577) 3.734 15.179 ( -2.722 5.022 -2.380) 6.188 15.594 ( 8.299 -0.895 3.601) 9.091 25.475 ( -0.039 -0.710 -0.416) 0.824======================= Grid point 722 (345/488) =======================q-point: (-0.13 0.13 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.174 ( 2.962 16.148 10.580) 19.531 2.565 ( -6.414 18.017 15.144) 24.394 3.267 ( 1.348 13.287 -12.784) 18.487 3.407 ( 6.894 16.815 -12.254) 21.919 4.708 ( 4.664 28.251 18.885) 34.300 5.377 ( -9.441 12.629 -13.151) 20.533 6.543 ( -1.722 0.704 0.583) 1.949 7.276 ( -2.067 3.555 -7.250) 8.335 8.490 ( -1.403 -13.597 2.159) 13.839 9.568 ( 4.886 -5.995 9.962) 12.612 9.843 ( 1.793 -5.000 0.314) 5.321 11.173 ( -5.144 -23.334 2.364) 24.011 11.588 ( -1.726 -19.309 5.544) 20.163 11.718 ( -1.543 -13.276 -13.833) 19.235 12.720 ( 3.763 -0.420 0.927) 3.899 14.958 ( -7.936 14.464 2.286) 16.656 15.703 ( 12.398 1.513 -4.669) 13.334 25.486 ( -0.082 -0.781 -0.328) 0.851======================= Grid point 723 (346/488) =======================q-point: (-0.07 0.13 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.970 ( 0.064 12.770 14.032) 18.973 2.238 ( -1.866 17.335 19.020) 25.801 3.040 ( 3.050 13.913 -10.946) 17.964 3.207 ( 6.170 12.759 -13.222) 19.383 4.323 ( 10.549 30.066 24.002) 39.892 5.104 ( -4.330 8.921 -19.712) 22.066 6.495 ( -2.916 1.746 1.111) 3.576 7.201 ( 0.661 2.899 -4.726) 5.583 8.791 ( -3.596 -23.122 3.691) 23.690 9.644 ( 3.302 0.973 3.200) 4.700 10.026 ( 2.402 -13.175 0.679) 13.409 11.503 ( -4.159 -19.907 7.314) 21.612 11.770 ( -9.685 -10.719 0.582) 14.458 11.995 ( -4.376 -22.887 -6.291) 24.136 12.782 ( 4.906 -1.752 -1.073) 5.319 14.572 ( -4.303 23.774 3.281) 24.382 15.744 ( 10.143 6.703 -10.266) 15.913 25.498 ( -0.129 -0.788 -0.257) 0.838======================= Grid point 727 (347/488) =======================q-point: ( 0.20 0.20 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 480Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.279 ( 23.468 0.000 15.025) 27.866 2.323 ( 14.823 0.000 2.513) 15.034 3.154 ( 9.087 0.000 -22.436) 24.206 3.205 ( 12.009 0.000 -1.505) 12.103 4.582 ( 24.343 0.000 18.119) 30.346 5.072 ( 12.912 0.000 -10.080) 16.381 6.575 ( 5.275 0.000 -7.256) 8.970 7.500 ( 10.627 0.000 -1.038) 10.677 8.943 ( -17.626 -0.000 -7.188) 19.036 9.459 ( -3.382 -0.000 2.746) 4.356 10.227 ( -5.750 -0.000 -10.867) 12.294 11.254 ( -25.867 -0.000 11.089) 28.143 11.485 ( -10.640 -0.000 -2.922) 11.033 11.826 ( -14.869 -0.000 -5.893) 15.994 13.014 ( -1.367 -0.000 1.178) 1.804 14.689 ( 13.610 0.000 -0.667) 13.626 15.241 ( -4.033 -0.000 -0.032) 4.033 25.492 ( -1.129 -0.000 -0.012) 1.129======================= Grid point 728 (348/488) =======================q-point: ( 0.27 0.20 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.464 ( 20.302 -0.355 6.515) 21.325 2.630 ( 17.334 -9.276 8.089) 21.259 3.229 ( 9.797 -1.259 -23.579) 25.564 3.339 ( 13.511 -1.864 -2.247) 13.823 4.919 ( 18.821 -10.251 16.756) 27.204 5.202 ( 14.840 -0.141 -7.603) 16.675 6.603 ( 5.625 2.093 -7.730) 9.786 7.593 ( 11.024 1.850 -0.600) 11.194 8.745 ( -11.370 3.109 -8.927) 14.787 9.454 ( -4.923 -2.891 1.604) 5.930 10.094 ( -4.533 7.277 -10.540) 13.586 10.969 ( -24.855 4.191 10.876) 27.452 11.382 ( -11.526 -0.719 -1.822) 11.691 11.659 ( -11.049 3.796 -2.779) 12.009 12.961 ( -0.476 4.246 1.080) 4.407 14.801 ( 5.948 -1.409 -1.874) 6.393 15.259 ( -5.137 -6.378 1.586) 8.342 25.478 ( -1.186 0.249 0.082) 1.215======================= Grid point 729 (349/488) =======================q-point: ( 0.33 0.20 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.721 ( 21.923 -3.357 5.372) 22.819 2.941 ( 12.143 -8.480 8.383) 17.018 3.319 ( 8.896 -1.648 -21.961) 23.752 3.559 ( 17.249 -7.170 -5.441) 19.456 5.288 ( 7.279 -12.019 13.763) 19.669 5.367 ( 18.192 -3.826 -4.034) 19.022 6.599 ( 5.630 3.772 -7.405) 10.038 7.658 ( 10.223 3.098 0.818) 10.714 8.622 ( -3.795 0.971 -9.432) 10.213 9.427 ( -7.048 -0.158 -0.893) 7.106 9.917 ( -2.247 6.442 -7.042) 9.805 10.675 ( -19.970 5.585 9.521) 22.818 11.252 ( -11.496 2.891 -1.595) 11.961 11.476 ( -8.843 5.658 0.942) 10.540 12.896 ( 1.424 3.907 1.194) 4.326 14.844 ( 0.508 -0.198 -0.740) 0.919 15.322 ( -7.591 -8.165 -0.236) 11.152 25.462 ( -1.051 0.317 0.156) 1.109======================= Grid point 730 (350/488) =======================q-point: ( 0.40 0.20 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.995 ( 20.491 -2.289 1.308) 20.660 3.195 ( 12.653 -6.844 8.887) 16.909 3.390 ( 5.065 -1.597 -16.850) 17.667 3.881 ( 19.859 -8.587 -6.959) 22.728 5.476 ( 8.604 -4.521 0.501) 9.732 5.686 ( 5.803 -14.805 8.431) 17.999 6.580 ( 5.634 3.776 -5.910) 8.996 7.694 ( 7.999 3.977 2.366) 9.241 8.592 ( -0.448 -0.448 -10.080) 10.100 9.327 ( -3.822 3.702 -1.100) 5.434 9.851 ( -0.624 -0.599 -4.182) 4.271 10.416 ( -14.719 5.858 7.792) 17.654 11.037 ( -10.847 8.962 -2.139) 14.232 11.308 ( -8.042 4.984 3.595) 10.121 12.869 ( 3.776 2.659 1.416) 4.830 14.825 ( -2.197 0.938 0.246) 2.402 15.368 ( -9.492 -7.740 -1.686) 12.363 25.448 ( -0.773 0.215 0.159) 0.818======================= Grid point 731 (351/488) =======================q-point: ( 0.47 0.20 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.189 ( 13.863 -0.915 -6.491) 15.335 3.396 ( 11.668 3.148 -6.334) 13.645 3.491 ( 9.329 -7.949 7.007) 14.118 4.176 ( 20.480 -2.829 -6.058) 21.544 5.641 ( 5.489 -6.607 -0.780) 8.625 5.957 ( -3.456 -14.908 7.698) 17.130 6.576 ( 4.956 2.319 -3.515) 6.503 7.685 ( 4.156 5.125 3.915) 7.672 8.571 ( -1.034 0.523 -9.361) 9.432 9.276 ( 3.842 2.267 0.400) 4.479 9.877 ( -3.131 -4.392 -6.148) 8.179 10.222 ( -7.763 4.553 7.321) 11.602 10.759 ( -9.631 10.967 -1.284) 14.652 11.151 ( -7.942 4.833 3.515) 9.939 12.879 ( 6.050 2.661 1.302) 6.737 14.787 ( -2.402 0.359 0.945) 2.606 15.387 ( -10.064 -6.723 -1.936) 12.257 25.440 ( -0.455 0.022 0.066) 0.461======================= Grid point 732 (352/488) =======================q-point: ( 0.53 0.20 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.269 ( 7.184 2.913 -14.413) 16.365 3.440 ( 7.655 0.185 -1.687) 7.841 3.725 ( 16.434 -0.882 11.032) 19.813 4.354 ( 20.039 4.926 -4.987) 21.229 5.783 ( 0.369 -6.229 0.183) 6.243 6.137 ( -9.417 -13.552 5.283) 17.327 6.586 ( 2.894 1.145 -1.549) 3.477 7.617 ( 0.143 6.066 5.996) 8.531 8.550 ( 0.384 -0.411 -6.108) 6.133 9.288 ( 5.699 3.734 -0.824) 6.863 9.874 ( -9.701 -3.497 -10.897) 15.003 10.162 ( 1.921 -0.001 8.810) 9.017 10.513 ( -6.568 7.578 -0.050) 10.028 11.008 ( -7.504 2.876 1.768) 8.229 12.891 ( 6.938 4.233 1.035) 8.193 14.788 ( 0.115 -2.100 1.387) 2.519 15.391 ( -9.589 -5.960 -1.145) 11.348 25.438 ( -0.198 -0.172 -0.102) 0.282======================= Grid point 733 (353/488) =======================q-point: (-0.40 0.20 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.220 ( 3.593 6.433 -11.264) 13.460 3.528 ( 8.607 -0.492 -3.823) 9.430 3.844 ( 13.399 6.993 10.364) 18.326 4.408 ( 18.121 10.443 -4.434) 21.379 5.840 ( -3.403 -2.062 2.734) 4.827 6.231 ( -12.858 -10.241 2.932) 16.698 6.584 ( 0.778 1.172 -0.849) 1.643 7.522 ( -1.128 5.374 7.706) 9.462 8.584 ( 2.314 -2.505 -1.604) 3.769 9.223 ( 1.973 8.741 -3.922) 9.781 9.786 ( -11.860 -1.930 -11.221) 16.441 10.256 ( 5.254 -4.527 8.334) 10.842 10.397 ( -2.133 1.338 -0.005) 2.518 10.936 ( -5.624 -2.737 -1.520) 6.436 12.873 ( 5.870 5.861 1.098) 8.367 14.871 ( 4.504 -4.896 1.098) 6.743 15.395 ( -8.668 -5.693 0.510) 10.383 25.441 ( -0.055 -0.323 -0.285) 0.434======================= Grid point 734 (354/488) =======================q-point: (-0.33 0.20 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.110 ( 3.142 9.324 -6.391) 11.732 3.600 ( 8.939 1.933 -6.452) 11.193 3.777 ( 4.798 13.430 8.111) 16.406 4.366 ( 14.798 13.581 -4.544) 20.593 5.795 ( -3.022 3.935 4.814) 6.913 6.215 ( -14.791 -3.807 2.077) 15.413 6.564 ( -0.008 1.314 -0.794) 1.535 7.450 ( 0.064 3.782 6.867) 7.840 8.657 ( 1.457 -2.476 3.158) 4.269 9.049 ( -0.130 10.318 -4.967) 11.453 9.706 ( -11.385 -4.681 -10.430) 16.134 10.382 ( 4.876 0.425 7.644) 9.077 10.445 ( 0.604 -11.026 -0.635) 11.061 10.989 ( -2.899 -8.886 -5.409) 10.800 12.824 ( 3.964 5.889 1.542) 7.264 15.028 ( 7.731 -5.798 -0.519) 9.677 15.412 ( -7.139 -5.811 3.007) 9.684 25.447 ( -0.018 -0.432 -0.416) 0.600======================= Grid point 735 (355/488) =======================q-point: (-0.27 0.20 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.955 ( 3.640 12.817 -1.870) 13.454 3.523 ( 2.298 20.563 9.711) 22.857 3.627 ( 1.169 1.069 -11.491) 11.600 4.237 ( 10.528 16.344 -6.604) 20.532 5.669 ( 0.774 10.616 6.737) 12.597 6.067 ( -14.374 4.157 1.605) 15.049 6.546 ( 0.063 0.668 -0.420) 0.792 7.410 ( 1.234 2.864 3.063) 4.371 8.606 ( -4.710 7.609 -1.499) 9.074 9.003 ( 5.718 -3.552 6.507) 9.362 9.683 ( -10.334 -6.865 -9.020) 15.339 10.448 ( 2.539 -3.996 1.549) 4.981 10.682 ( 2.493 -14.693 2.736) 15.152 11.133 ( -1.766 -11.700 -8.116) 14.349 12.771 ( 2.527 4.361 1.853) 5.370 15.175 ( 3.694 -3.484 -2.434) 5.631 15.471 ( -0.824 -6.369 4.904) 8.080 25.454 ( -0.051 -0.527 -0.449) 0.694======================= Grid point 736 (356/488) =======================q-point: (-0.20 0.20 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.752 ( 4.235 16.357 1.896) 17.002 3.172 ( -7.224 18.987 9.476) 22.416 3.576 ( 2.334 5.776 -11.576) 13.146 4.020 ( 6.909 18.445 -10.906) 22.514 5.482 ( 5.877 17.139 9.976) 20.683 5.807 ( -11.720 10.927 -0.002) 16.024 6.541 ( -0.416 -0.118 0.126) 0.451 7.377 ( 1.138 2.993 -1.880) 3.713 8.418 ( -3.937 6.768 -1.962) 8.072 9.223 ( 7.446 -11.103 14.259) 19.546 9.693 ( -8.295 -6.739 -6.721) 12.625 10.574 ( -0.094 -9.748 -1.643) 9.886 10.977 ( 1.648 -17.320 3.741) 17.796 11.303 ( -2.171 -12.262 -9.744) 15.811 12.741 ( 2.075 2.153 1.430) 3.315 15.182 ( -5.414 1.026 0.123) 5.512 15.623 ( 8.043 -5.960 1.046) 10.065 25.462 ( -0.117 -0.628 -0.389) 0.747======================= Grid point 737 (357/488) =======================q-point: (-0.13 0.20 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.502 ( 2.397 18.102 4.072) 18.708 2.810 ( -6.870 16.770 12.832) 22.206 3.448 ( 0.780 9.640 -9.884) 13.828 3.753 ( 5.570 18.278 -16.930) 25.529 5.247 ( 10.883 23.336 15.748) 30.183 5.496 ( -7.593 13.613 -4.788) 16.306 6.530 ( -2.289 0.288 0.734) 2.421 7.323 ( 0.814 3.950 -4.990) 6.416 8.349 ( -0.944 -2.232 1.013) 2.627 9.506 ( 6.768 -10.229 14.304) 18.842 9.727 ( -5.385 -7.058 -5.062) 10.219 10.774 ( -3.394 -16.988 -0.038) 17.323 11.275 ( -2.659 -17.311 4.214) 18.014 11.471 ( -1.871 -12.387 -10.404) 16.284 12.747 ( 2.341 -0.040 0.188) 2.349 15.047 ( -8.776 6.629 3.008) 11.403 15.795 ( 9.858 -3.336 -4.668) 11.406 25.471 ( -0.193 -0.736 -0.282) 0.811======================= Grid point 738 (358/488) =======================q-point: (-0.07 0.20 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.219 ( -2.082 16.180 6.423) 17.533 2.542 ( 2.583 15.080 17.779) 23.455 3.257 ( 0.557 11.925 -7.326) 14.007 3.496 ( 6.086 16.087 -22.246) 28.120 4.970 ( 14.588 28.044 20.699) 37.785 5.221 ( -2.171 11.692 -10.461) 15.839 6.487 ( -3.452 1.113 1.190) 3.818 7.264 ( 2.276 3.630 -4.327) 6.090 8.472 ( -0.660 -12.396 2.714) 12.707 9.678 ( 4.103 -2.320 5.875) 7.532 9.831 ( -3.217 -10.751 -2.728) 11.548 11.071 ( -6.457 -23.323 7.492) 25.334 11.475 ( -8.706 -13.287 0.962) 15.914 11.663 ( -2.071 -14.067 -7.407) 16.032 12.786 ( 2.288 -1.725 -1.209) 3.110 14.812 ( -6.466 12.170 4.585) 14.524 15.891 ( 7.258 1.668 -10.072) 12.526 25.482 ( -0.282 -0.822 -0.187) 0.889======================= Grid point 743 (359/488) =======================q-point: ( 0.27 0.27 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 480Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.619 ( 14.003 0.000 0.889) 14.032 2.779 ( 21.896 0.000 8.477) 23.480 3.301 ( 12.037 0.000 -21.793) 24.896 3.443 ( 11.656 0.000 -0.629) 11.673 5.026 ( 14.264 0.000 16.112) 21.519 5.364 ( 18.893 0.000 -7.629) 20.375 6.668 ( 5.796 0.000 -7.854) 9.761 7.723 ( 11.737 0.000 -1.318) 11.810 8.641 ( -9.291 -0.000 -12.462) 15.544 9.394 ( -3.869 -0.000 3.590) 5.278 10.089 ( -6.009 -0.000 -9.784) 11.482 10.776 ( -22.275 -0.000 9.917) 24.383 11.252 ( -11.486 -0.000 -3.629) 12.046 11.588 ( -9.241 -0.000 0.097) 9.242 12.986 ( -1.702 -0.000 1.276) 2.127 14.796 ( -1.210 -0.000 -9.964) 10.038 15.194 ( -1.544 -0.000 11.366) 11.471 25.468 ( -1.252 -0.000 0.125) 1.258======================= Grid point 744 (360/488) =======================q-point: ( 0.33 0.27 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.817 ( 14.247 -6.832 1.446) 15.867 3.003 ( 16.464 -1.655 4.937) 17.268 3.396 ( 12.409 0.506 -17.678) 21.604 3.601 ( 13.068 -5.418 -1.807) 14.262 5.221 ( 8.500 -6.543 13.194) 17.004 5.542 ( 19.443 1.008 -5.618) 20.264 6.694 ( 5.095 2.183 -7.019) 8.944 7.816 ( 11.234 2.567 -0.626) 11.541 8.560 ( -4.267 -0.903 -13.118) 13.825 9.365 ( -4.433 -0.444 3.038) 5.392 9.971 ( -4.765 4.783 -7.464) 10.064 10.569 ( -16.650 2.766 8.292) 18.806 11.144 ( -11.203 -0.860 -3.496) 11.767 11.471 ( -8.604 3.603 2.380) 9.627 12.953 ( -0.566 1.903 1.400) 2.429 14.774 ( -5.731 -3.183 -9.954) 11.919 15.209 ( -2.063 -1.232 11.259) 11.513 25.455 ( -1.127 0.122 0.151) 1.143======================= Grid point 745 (361/488) =======================q-point: ( 0.40 0.27 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.109 ( 15.088 -8.116 -2.539) 17.320 3.177 ( 9.283 -4.581 6.173) 12.053 3.475 ( 11.816 1.712 -11.625) 16.664 3.887 ( 16.005 -11.104 -3.971) 19.880 5.427 ( 4.218 -8.320 8.951) 12.929 5.695 ( 14.896 0.840 -2.335) 15.101 6.684 ( 4.076 3.345 -5.542) 7.649 7.859 ( 9.261 4.808 1.267) 10.511 8.544 ( -1.255 -1.963 -13.259) 13.463 9.328 ( -2.702 0.470 2.418) 3.656 9.858 ( -1.923 3.211 -5.489) 6.644 10.379 ( -11.071 4.397 7.438) 14.043 11.022 ( -10.577 2.719 -3.564) 11.487 11.312 ( -8.821 5.070 3.883) 10.890 12.936 ( 2.218 1.079 1.711) 3.002 14.753 ( -7.408 -3.526 -7.178) 10.901 15.215 ( -4.346 -1.897 7.763) 9.096 25.443 ( -0.843 0.098 0.119) 0.857======================= Grid point 746 (362/488) =======================q-point: ( 0.47 0.27 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.277 ( 10.726 -1.064 -6.156) 12.413 3.376 ( 0.978 -5.718 -4.178) 7.149 3.620 ( 19.955 -3.717 5.718) 21.088 4.241 ( 17.051 -11.214 -5.771) 21.208 5.598 ( 2.595 -6.887 4.293) 8.520 5.800 ( 4.980 -1.657 1.469) 5.450 6.658 ( 2.882 2.974 -3.618) 5.499 7.841 ( 5.625 6.878 3.583) 9.581 8.541 ( -1.170 -0.986 -12.464) 12.557 9.330 ( 3.083 -0.438 2.350) 3.901 9.801 ( -3.394 0.328 -5.929) 6.839 10.239 ( -3.856 3.964 6.946) 8.878 10.820 ( -9.964 8.292 -2.654) 13.232 11.148 ( -9.032 4.440 3.677) 10.715 12.967 ( 5.306 0.345 1.563) 5.543 14.727 ( -6.470 -2.931 -3.645) 7.983 15.210 ( -6.493 -3.143 4.101) 8.298 25.436 ( -0.497 -0.019 0.011) 0.498======================= Grid point 747 (363/488) =======================q-point: ( 0.53 0.27 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.360 ( 6.727 2.043 -16.035) 17.509 3.419 ( -0.014 -3.644 1.474) 3.931 3.930 ( 21.201 -4.000 12.605) 24.988 4.550 ( 17.962 -5.046 -7.001) 19.928 5.713 ( 1.507 -3.900 0.683) 4.237 5.862 ( -6.954 -6.962 4.608) 10.866 6.634 ( 1.250 2.015 -1.871) 3.021 7.755 ( 1.800 8.283 6.094) 10.440 8.531 ( -0.034 -1.038 -9.665) 9.721 9.387 ( 5.825 0.774 1.318) 6.022 9.741 ( -7.156 -0.403 -8.046) 10.776 10.203 ( 3.176 1.123 5.905) 6.798 10.574 ( -8.280 8.764 -1.167) 12.113 10.991 ( -8.638 4.170 2.545) 9.924 13.017 ( 6.906 1.814 0.808) 7.186 14.730 ( -2.980 -4.040 -0.323) 5.031 15.205 ( -7.726 -4.416 1.571) 9.037 25.434 ( -0.200 -0.150 -0.152) 0.293======================= Grid point 748 (364/488) =======================q-point: ( 0.60 0.27 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.323 ( 1.793 3.761 -11.837) 12.549 3.504 ( 2.590 -3.779 -2.627) 5.281 4.152 ( 17.556 3.955 13.801) 22.678 4.722 ( 17.620 5.056 -7.796) 19.920 5.764 ( -1.850 -2.994 1.645) 3.885 5.918 ( -12.898 -10.852 4.154) 17.360 6.608 ( -0.643 1.411 -0.721) 1.710 7.639 ( 0.781 7.716 8.013) 11.151 8.561 ( 1.909 -2.754 -5.681) 6.595 9.374 ( 2.613 6.740 -0.596) 7.254 9.649 ( -9.066 0.304 -9.768) 13.331 10.261 ( 5.138 -0.960 3.528) 6.306 10.411 ( -3.080 2.229 0.948) 3.919 10.860 ( -7.196 1.662 0.816) 7.431 13.028 ( 5.810 4.981 0.174) 7.655 14.817 ( 2.619 -6.764 1.861) 7.488 15.207 ( -8.289 -5.372 0.399) 9.886 25.436 ( -0.021 -0.248 -0.316) 0.402======================= Grid point 749 (365/488) =======================q-point: (-0.33 0.27 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.251 ( 1.800 5.304 -8.421) 10.114 3.571 ( 0.269 -2.715 -5.403) 6.053 4.159 ( 9.620 13.998 12.539) 21.112 4.716 ( 12.852 12.072 -8.275) 19.478 5.799 ( -0.362 -1.872 4.228) 4.639 5.962 ( -13.163 -9.207 3.350) 16.410 6.574 ( -1.812 0.898 -0.039) 2.023 7.551 ( 2.203 5.886 7.507) 9.790 8.638 ( 2.806 -3.526 -0.197) 4.510 9.221 ( -0.899 11.303 -2.636) 11.641 9.536 ( -9.803 -0.468 -9.659) 13.770 10.308 ( -1.067 -3.502 -2.487) 4.426 10.456 ( 7.152 -1.815 7.527) 10.540 10.820 ( -5.121 -4.966 -3.265) 7.845 12.971 ( 3.315 6.897 0.218) 7.656 14.998 ( 7.548 -7.479 2.143) 10.840 15.223 ( -8.404 -6.921 0.488) 10.898 25.440 ( 0.033 -0.314 -0.423) 0.527======================= Grid point 750 (366/488) =======================q-point: (-0.27 0.27 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.156 ( 2.592 7.776 -5.456) 9.846 3.563 ( -5.183 1.145 -5.331) 7.523 3.944 ( 2.962 18.783 7.869) 20.579 4.575 ( 6.222 14.659 -9.108) 18.345 5.814 ( 3.009 2.865 5.076) 6.560 5.959 ( -8.643 -2.616 4.857) 10.254 6.548 ( -1.372 0.239 0.387) 1.445 7.501 ( 3.278 4.682 4.202) 7.094 8.682 ( 0.144 3.162 2.843) 4.255 9.058 ( 1.920 4.594 1.563) 5.219 9.461 ( -9.889 -4.181 -9.966) 14.649 10.378 ( -1.400 -6.588 -2.778) 7.286 10.579 ( 7.382 -3.188 7.905) 11.276 10.909 ( -3.218 -10.855 -7.126) 13.378 12.882 ( 1.297 6.229 0.545) 6.386 15.137 ( -0.521 -2.635 0.064) 2.686 15.331 ( 1.744 -11.189 2.092) 11.516 25.445 ( -0.000 -0.376 -0.432) 0.573======================= Grid point 751 (367/488) =======================q-point: (-0.20 0.27 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.024 ( 3.209 11.285 -3.275) 12.181 3.351 ( -12.695 13.144 3.882) 18.681 3.723 ( 2.738 10.411 -3.713) 11.388 4.337 ( 0.830 16.070 -11.639) 19.859 5.764 ( 2.413 7.438 3.307) 8.490 5.887 ( 0.695 7.468 8.814) 11.573 6.537 ( -0.739 0.185 0.570) 0.952 7.461 ( 2.986 4.546 -0.172) 5.442 8.536 ( -1.570 10.354 0.571) 10.488 9.157 ( 6.587 -7.675 12.323) 15.942 9.451 ( -9.749 -7.921 -9.476) 15.735 10.472 ( 0.640 -5.295 -2.322) 5.817 10.751 ( 2.225 -10.756 4.471) 11.859 11.068 ( -2.070 -12.065 -7.569) 14.393 12.805 ( 0.324 3.841 0.480) 3.884 15.121 ( -6.683 -0.706 0.463) 6.736 15.565 ( 7.222 -9.917 0.361) 12.273 25.451 ( -0.083 -0.457 -0.346) 0.580======================= Grid point 752 (368/488) =======================q-point: (-0.13 0.27 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.802 ( -2.554 16.859 -2.561) 17.242 3.013 ( -5.777 13.392 9.896) 17.625 3.590 ( 1.043 8.178 -7.132) 10.901 4.044 ( -1.204 16.064 -16.421) 23.003 5.623 ( 0.003 10.907 -0.019) 10.907 5.755 ( 10.863 17.109 13.811) 24.525 6.519 ( -1.617 0.906 0.648) 1.964 7.407 ( 2.381 4.743 -3.320) 6.260 8.389 ( 1.131 6.124 2.025) 6.548 9.414 ( 6.390 -11.671 15.277) 20.259 9.496 ( -8.070 -9.491 -7.002) 14.291 10.567 ( -0.079 -6.700 -2.477) 7.144 10.972 ( -3.685 -15.133 1.707) 15.669 11.242 ( -1.114 -11.991 -6.015) 13.461 12.767 ( 0.129 1.001 -0.185) 1.026 15.034 ( -8.239 2.308 1.645) 8.713 15.781 ( 6.681 -7.356 -3.073) 10.401 25.458 ( -0.191 -0.564 -0.208) 0.631======================= Grid point 753 (369/488) =======================q-point: (-0.07 0.27 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.461 ( -5.419 16.227 1.478) 17.172 2.824 ( 4.533 11.864 11.435) 17.090 3.439 ( 0.987 10.104 -4.785) 11.224 3.758 ( 0.609 14.239 -23.268) 27.286 5.419 ( 1.233 13.524 -2.776) 13.861 5.577 ( 15.916 22.846 17.072) 32.661 6.475 ( -2.897 1.477 0.698) 3.326 7.352 ( 3.019 4.199 -3.641) 6.325 8.376 ( 2.957 -1.530 3.089) 4.542 9.569 ( -8.358 -11.224 -7.968) 16.103 9.675 ( 6.205 -7.280 13.690) 16.701 10.712 ( -3.564 -13.567 2.009) 14.171 11.159 ( -8.171 -14.366 -1.148) 16.567 11.424 ( -1.825 -11.915 -3.507) 12.553 12.770 ( -0.028 -1.244 -1.009) 1.602 14.893 ( -6.668 5.602 2.969) 9.202 15.917 ( 3.581 -3.214 -7.278) 8.725 25.466 ( -0.320 -0.681 -0.077) 0.756======================= Grid point 759 (370/488) =======================q-point: ( 0.33 0.33 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 480Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.877 ( 11.205 0.000 0.962) 11.246 3.166 ( 15.671 0.000 0.470) 15.678 3.508 ( 12.086 0.000 -12.158) 17.143 3.658 ( 9.826 0.000 -0.882) 9.866 5.272 ( 8.445 0.000 10.268) 13.295 5.740 ( 18.685 0.000 -4.649) 19.255 6.747 ( 3.351 0.000 -5.097) 6.100 7.951 ( 11.089 0.000 -1.405) 11.178 8.498 ( -1.999 -0.000 -13.846) 13.990 9.325 ( -4.016 -0.000 4.052) 5.705 9.954 ( -4.190 -0.000 -6.399) 7.649 10.465 ( -10.943 -0.000 6.824) 12.896 11.019 ( -10.462 -0.000 -3.883) 11.160 11.420 ( -8.732 -0.000 3.467) 9.395 12.955 ( -1.646 -0.000 1.171) 2.020 14.657 ( -8.022 -0.000 -10.491) 13.207 15.211 ( -0.921 -0.000 12.674) 12.707 25.445 ( -1.025 -0.000 0.128) 1.033======================= Grid point 760 (371/488) =======================q-point: ( 0.40 0.33 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.053 ( 8.909 -8.281 1.062) 12.209 3.291 ( 12.181 1.701 -0.800) 12.325 3.593 ( 9.693 0.587 -8.639) 12.997 3.837 ( 10.387 -9.546 -1.454) 14.182 5.395 ( 6.904 -3.350 7.514) 10.740 5.885 ( 15.218 2.679 -3.056) 15.751 6.748 ( 1.200 1.794 -2.823) 3.554 8.026 ( 9.526 3.415 -0.506) 10.133 8.485 ( 0.040 -1.550 -13.684) 13.772 9.299 ( -3.068 -0.868 3.896) 5.034 9.885 ( -2.342 3.053 -6.015) 7.140 10.370 ( -4.621 2.819 6.875) 8.750 10.926 ( -9.328 -0.811 -3.941) 10.159 11.302 ( -9.596 3.715 3.821) 10.977 12.948 ( -0.251 -0.798 1.308) 1.552 14.589 ( -8.889 -3.414 -8.616) 12.841 15.206 ( -1.445 1.185 10.495) 10.660 25.436 ( -0.758 0.010 0.055) 0.760======================= Grid point 761 (372/488) =======================q-point: ( 0.47 0.33 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.273 ( 2.475 -8.122 -0.493) 8.505 3.370 ( 9.952 0.776 -4.052) 10.773 3.707 ( 11.043 -4.559 -0.315) 11.951 4.151 ( 11.123 -14.772 -3.657) 18.850 5.524 ( 3.767 -4.370 5.527) 7.990 5.939 ( 9.696 5.646 -1.312) 11.296 6.712 ( -0.617 2.341 -0.742) 2.532 8.022 ( 6.321 6.798 1.676) 9.433 8.494 ( 0.001 -1.282 -13.353) 13.415 9.323 ( 0.717 -3.145 3.513) 4.769 9.795 ( -3.298 3.372 -5.984) 7.619 10.310 ( 2.683 4.216 6.765) 8.411 10.819 ( -8.528 3.199 -3.531) 9.769 11.132 ( -10.171 4.616 3.295) 11.646 12.991 ( 2.657 -2.544 1.387) 3.932 14.564 ( -8.581 -5.276 -6.266) 11.863 15.174 ( -2.054 1.871 7.707) 8.193 25.430 ( -0.409 -0.060 -0.074) 0.420======================= Grid point 762 (373/488) =======================q-point: ( 0.53 0.33 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.336 ( -3.724 -2.365 -1.257) 4.587 3.456 ( 9.602 0.299 -10.349) 14.121 3.979 ( 11.363 -11.744 10.593) 19.475 4.513 ( 11.911 -15.049 -6.915) 20.400 5.622 ( -0.688 -4.508 4.419) 6.349 5.889 ( 3.097 7.669 0.104) 8.271 6.663 ( -2.110 1.886 0.929) 2.978 7.935 ( 2.806 9.206 4.354) 10.563 8.494 ( -0.048 -1.188 -11.915) 11.974 9.416 ( 3.740 -3.739 2.766) 5.968 9.695 ( -4.507 2.747 -6.335) 8.245 10.300 ( 6.977 3.959 5.096) 9.504 10.632 ( -8.022 8.104 -1.815) 11.546 10.973 ( -8.740 3.520 1.980) 9.628 13.076 ( 4.815 -2.257 0.621) 5.354 14.583 ( -6.130 -7.041 -3.264) 9.889 15.132 ( -2.509 1.193 5.010) 5.728 25.429 ( -0.091 -0.142 -0.236) 0.290======================= Grid point 763 (374/488) =======================q-point: ( 0.60 0.33 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.313 ( -4.772 -1.013 -4.730) 6.795 3.524 ( 7.755 0.368 -8.301) 11.366 4.272 ( 7.189 -8.176 14.506) 18.137 4.835 ( 12.064 -9.018 -10.046) 18.105 5.674 ( -5.421 -5.118 4.316) 8.614 5.775 ( -1.511 5.426 1.350) 5.792 6.610 ( -3.648 1.298 2.078) 4.394 7.808 ( 2.031 9.171 6.554) 11.453 8.513 ( 0.549 -2.853 -9.522) 9.955 9.472 ( 0.787 1.769 2.751) 3.364 9.601 ( -3.300 2.914 -7.960) 9.096 10.334 ( 7.496 1.044 2.772) 8.060 10.428 ( -5.831 6.447 -0.772) 8.726 10.845 ( -5.488 3.476 1.683) 6.711 13.134 ( 4.115 1.348 -0.573) 4.368 14.683 ( -1.325 -10.135 -0.220) 10.224 15.102 ( -2.806 -0.182 2.738) 3.924 25.432 ( 0.111 -0.187 -0.381) 0.439======================= Grid point 764 (375/488) =======================q-point: (-0.33 -0.67 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.272 ( -3.949 -0.305 -6.564) 7.666 3.569 ( 4.694 0.792 -6.341) 7.929 4.378 ( -0.372 2.966 13.933) 14.250 4.950 ( 4.771 4.735 -11.926) 13.690 5.712 ( -6.439 -6.227 5.202) 10.358 5.762 ( 2.497 -4.344 2.959) 5.819 6.556 ( -4.414 0.492 2.676) 5.185 7.704 ( 3.446 7.560 6.468) 10.529 8.578 ( 0.954 -5.218 -5.717) 7.799 9.378 ( -2.576 8.148 1.237) 8.635 9.487 ( -3.826 5.011 -6.712) 9.209 10.299 ( -1.033 3.459 -2.279) 4.269 10.455 ( 5.292 -6.165 2.175) 8.410 10.759 ( -1.724 2.570 1.191) 3.316 13.102 ( 1.353 5.466 -1.012) 5.721 14.891 ( 3.172 -13.202 1.352) 13.645 15.087 ( -2.726 -0.944 1.266) 3.150 25.436 ( 0.180 -0.198 -0.461) 0.533======================= Grid point 765 (376/488) =======================q-point: (-0.27 0.33 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.224 ( -2.547 1.092 -7.559) 8.051 3.558 ( -0.529 3.015 -3.624) 4.743 4.210 ( -6.767 13.062 9.074) 17.284 4.791 ( -4.260 10.707 -11.520) 16.294 5.766 ( -4.378 -5.504 5.526) 8.944 5.924 ( 9.441 -4.662 5.022) 11.666 6.524 ( -2.896 -0.840 2.620) 3.995 7.637 ( 4.060 6.223 3.659) 8.283 8.677 ( 0.903 -5.131 -0.627) 5.248 9.184 ( -2.833 10.066 0.263) 10.461 9.371 ( -3.389 3.256 -4.376) 6.422 10.277 ( -0.781 -2.411 -1.668) 3.033 10.638 ( 7.415 -6.586 2.843) 10.317 10.727 ( -1.695 -1.111 -2.818) 3.471 12.995 ( -1.026 6.810 -0.700) 6.922 15.066 ( -6.000 -3.137 -0.848) 6.824 15.176 ( 8.155 -11.681 2.631) 14.487 25.441 ( 0.150 -0.207 -0.446) 0.514======================= Grid point 766 (377/488) =======================q-point: (-0.20 0.33 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.154 ( -1.836 3.962 -8.349) 9.422 3.416 ( -9.006 8.899 2.490) 12.904 3.923 ( -3.912 13.080 0.862) 13.680 4.516 ( -8.891 11.879 -11.604) 18.837 5.802 ( -1.394 -0.878 4.981) 5.247 6.068 ( 11.892 1.848 7.363) 14.108 6.530 ( -0.242 -0.887 2.177) 2.363 7.578 ( 3.129 5.648 -0.103) 6.457 8.693 ( 0.796 6.188 2.734) 6.812 9.087 ( -2.931 -3.920 0.311) 4.905 9.316 ( 0.200 0.404 0.393) 0.598 10.356 ( -0.168 -7.265 -0.914) 7.324 10.712 ( 2.327 0.567 -0.520) 2.451 10.851 ( 1.229 -11.215 -2.831) 11.632 12.873 ( -2.202 5.332 -0.425) 5.785 15.039 ( -6.069 -1.188 -0.810) 6.237 15.454 ( 6.976 -11.598 1.175) 13.585 25.445 ( 0.060 -0.243 -0.336) 0.419======================= Grid point 767 (378/488) =======================q-point: (-0.13 0.33 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.974 ( -9.970 11.880 -5.510) 16.459 3.169 ( -3.073 9.223 4.112) 10.556 3.730 ( 0.436 8.763 -3.836) 9.575 4.204 ( -9.515 12.065 -13.569) 20.499 5.770 ( 1.403 5.549 3.544) 6.732 6.117 ( 13.073 8.631 9.687) 18.419 6.534 ( 0.531 1.394 1.801) 2.338 7.511 ( 2.142 5.250 -2.744) 6.299 8.558 ( 3.030 10.275 4.122) 11.478 9.179 ( -8.468 -11.508 -6.733) 15.795 9.399 ( 7.431 -5.320 13.431) 16.245 10.479 ( 0.754 -6.093 -1.977) 6.450 10.745 ( -3.509 -6.270 -3.163) 7.851 11.043 ( 1.115 -10.653 -1.419) 10.805 12.784 ( -2.372 2.429 -0.568) 3.442 14.981 ( -6.503 0.498 -0.418) 6.536 15.691 ( 4.704 -9.505 -1.071) 10.659 25.449 ( -0.064 -0.314 -0.169) 0.363======================= Grid point 768 (379/488) =======================q-point: (-0.07 0.33 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.639 ( -8.489 13.265 -0.668) 15.763 3.047 ( 4.113 8.158 2.111) 9.377 3.600 ( 1.853 8.216 -2.924) 8.915 3.908 ( -6.305 10.817 -17.804) 21.766 5.659 ( 3.899 11.161 1.518) 11.919 6.071 ( 14.353 15.103 12.486) 24.290 6.493 ( -1.004 3.257 1.095) 3.580 7.448 ( 2.543 4.359 -3.272) 6.015 8.466 ( 5.094 6.003 4.578) 9.107 9.268 ( -9.389 -11.786 -8.911) 17.506 9.632 ( 8.000 -8.615 17.607) 21.172 10.550 ( -1.128 -3.990 -3.508) 5.431 10.848 ( -7.764 -12.571 -2.539) 14.992 11.219 ( -0.900 -10.398 -0.562) 10.452 12.744 ( -2.034 -0.397 -0.899) 2.259 14.895 ( -5.542 2.295 0.593) 6.027 15.851 ( 1.241 -6.255 -4.192) 7.632 25.454 ( -0.215 -0.416 -0.004) 0.469======================= Grid point 775 (380/488) =======================q-point: ( 0.40 0.40 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 480Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.061 ( 6.597 0.000 1.963) 6.883 3.433 ( 10.998 0.000 -0.448) 11.007 3.661 ( 5.629 0.000 -7.736) 9.567 3.825 ( 7.170 0.000 -1.878) 7.412 5.456 ( 7.766 0.000 5.773) 9.677 6.047 ( 12.346 0.000 -2.218) 12.544 6.758 ( -1.856 -0.000 0.488) 1.919 8.146 ( 8.412 0.000 -1.264) 8.507 8.465 ( 1.950 0.000 -13.103) 13.247 9.259 ( -3.564 -0.000 4.024) 5.375 9.879 ( -2.926 -0.000 -6.471) 7.102 10.395 ( 2.920 0.000 6.955) 7.544 10.826 ( -7.499 -0.000 -3.636) 8.334 11.239 ( -10.483 -0.000 3.273) 10.982 12.930 ( -1.110 -0.000 0.923) 1.444 14.464 ( -8.177 -0.000 -6.700) 10.572 15.223 ( -0.413 -0.000 8.892) 8.901 25.429 ( -0.515 -0.000 -0.050) 0.518======================= Grid point 776 (381/488) =======================q-point: ( 0.47 0.40 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.174 ( 2.684 -6.170 1.897) 6.991 3.484 ( 5.877 2.542 1.235) 6.521 3.719 ( 5.670 -2.064 -7.048) 9.278 4.002 ( 7.167 -12.191 -3.370) 14.538 5.542 ( 5.568 -0.907 4.785) 7.398 6.113 ( 7.713 4.038 -0.929) 8.756 6.719 ( -4.023 1.133 3.193) 5.259 8.180 ( 5.551 4.452 -0.263) 7.121 8.474 ( 2.055 -0.232 -12.972) 13.136 9.262 ( -1.659 -3.462 3.723) 5.347 9.809 ( -3.832 2.941 -5.999) 7.702 10.444 ( 9.386 3.019 6.800) 11.977 10.761 ( -5.818 -0.141 -3.388) 6.734 11.101 ( -11.129 3.619 2.170) 11.902 12.952 ( 0.253 -3.339 0.904) 3.468 14.404 ( -7.190 -2.927 -4.724) 9.087 15.216 ( 0.432 2.214 6.581) 6.957 25.426 ( -0.182 -0.055 -0.198) 0.274======================= Grid point 777 (382/488) =======================q-point: ( 0.53 0.40 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.253 ( -4.035 -2.881 1.310) 5.127 3.534 ( 7.398 -0.965 -6.360) 9.804 3.848 ( 1.775 -10.006 4.105) 10.960 4.324 ( 8.043 -17.144 -6.484) 20.016 5.599 ( 1.800 -0.644 4.509) 4.897 6.061 ( 2.364 8.097 0.068) 8.435 6.657 ( -5.166 1.361 5.040) 7.345 8.110 ( 1.763 8.055 2.045) 8.495 8.473 ( 1.273 0.082 -12.659) 12.723 9.352 ( 0.837 -6.518 2.978) 7.214 9.707 ( -3.048 3.643 -5.260) 7.087 10.485 ( 10.945 6.010 5.781) 13.759 10.669 ( -5.519 4.797 -2.227) 7.644 10.940 ( -8.305 2.740 0.528) 8.762 13.042 ( 2.030 -5.478 0.463) 5.861 14.407 ( -5.307 -5.741 -2.839) 8.317 15.181 ( 1.240 3.710 4.542) 5.994 25.427 ( 0.131 -0.115 -0.357) 0.397======================= Grid point 778 (383/488) =======================q-point: (-0.40 -0.60 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.225 ( -7.040 -1.450 -0.051) 7.188 3.607 ( 8.261 0.641 -11.221) 13.949 4.079 ( -4.686 -16.323 12.365) 21.007 4.679 ( 6.172 -16.809 -9.762) 20.394 5.617 ( -0.616 -0.564 5.129) 5.196 5.907 ( -1.622 10.003 0.514) 10.147 6.587 ( -6.029 1.245 5.996) 8.594 7.980 ( 0.440 8.555 4.685) 9.763 8.471 ( 0.799 -0.889 -11.944) 12.004 9.452 ( -1.643 -3.395 3.004) 4.822 9.631 ( 0.542 2.502 -5.860) 6.395 10.440 ( -1.250 7.202 5.086) 8.905 10.529 ( 2.999 7.135 -2.656) 8.183 10.861 ( -0.589 2.080 0.800) 2.305 13.144 ( 1.581 -3.455 -0.767) 3.876 14.493 ( -1.733 -9.530 -0.927) 9.730 15.138 ( 1.872 3.728 3.009) 5.143 25.431 ( 0.334 -0.131 -0.484) 0.602======================= Grid point 779 (384/488) =======================q-point: (-0.33 -0.60 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.180 ( -7.352 -2.228 -2.097) 7.963 3.644 ( 6.299 2.068 -10.171) 12.140 4.262 ( -11.204 -11.366 13.710) 21.040 4.895 ( -4.701 -7.373 -12.501) 15.256 5.664 ( 4.077 -2.139 6.329) 7.827 5.756 ( -0.858 3.025 1.191) 3.362 6.515 ( -6.227 0.598 6.074) 8.719 7.865 ( 1.496 7.144 5.533) 9.159 8.495 ( 0.349 -3.387 -10.182) 10.736 9.418 ( -4.943 2.601 2.493) 6.116 9.586 ( 1.823 5.787 -4.201) 7.380 10.327 ( -3.860 2.039 0.921) 4.462 10.472 ( 4.944 4.026 -1.221) 6.492 10.843 ( 5.733 3.872 1.903) 7.175 13.161 ( -1.244 1.562 -1.655) 2.594 14.686 ( 1.936 -13.075 -0.156) 13.219 15.109 ( 2.430 2.513 2.285) 4.176 25.436 ( 0.400 -0.098 -0.539) 0.678======================= Grid point 780 (385/488) =======================q-point: (-0.27 -0.60 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.148 ( -6.564 -2.683 -4.481) 8.388 3.621 ( 0.770 4.291 -6.014) 7.428 4.236 ( -14.380 0.614 9.049) 17.002 4.793 ( -14.669 3.492 -11.631) 19.043 5.682 ( -0.422 -1.963 4.428) 4.862 5.926 ( 11.524 -8.948 4.411) 15.242 6.474 ( -4.077 -1.367 5.369) 6.879 7.781 ( 1.976 6.211 3.340) 7.324 8.566 ( -0.127 -6.355 -7.085) 9.518 9.292 ( -5.555 6.983 2.462) 9.257 9.472 ( 2.711 8.161 -0.423) 8.610 10.276 ( -0.504 1.755 -0.720) 1.963 10.520 ( 1.835 -5.389 -2.395) 6.177 10.845 ( 8.836 4.976 2.039) 10.344 13.072 ( -3.799 5.231 -1.568) 6.653 14.913 ( 0.258 -9.923 -2.550) 10.248 15.136 ( 5.375 -2.820 3.838) 7.182 25.440 ( 0.363 -0.056 -0.503) 0.623======================= Grid point 781 (386/488) =======================q-point: (-0.20 -0.60 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.116 ( -6.065 -1.386 -6.950) 9.328 3.475 ( -9.185 8.003 0.788) 12.207 4.044 ( -7.614 7.525 0.157) 10.706 4.524 ( -16.923 6.883 -10.311) 20.978 5.753 ( 0.038 -4.818 5.865) 7.590 6.171 ( 11.438 -4.636 4.785) 13.237 6.502 ( 0.488 -3.232 4.258) 5.368 7.698 ( 1.001 5.888 -0.022) 5.972 8.673 ( -0.213 -7.081 -4.131) 8.201 9.097 ( -5.201 9.102 1.543) 10.596 9.410 ( 6.097 4.786 5.539) 9.527 10.277 ( 0.862 -2.174 0.308) 2.359 10.629 ( -1.620 -6.662 -6.165) 9.220 10.868 ( 9.617 3.151 2.402) 10.402 12.930 ( -4.888 5.732 -1.159) 7.622 14.968 ( -2.998 -1.301 -3.311) 4.653 15.338 ( 6.715 -10.579 3.307) 12.959 25.444 ( 0.267 -0.039 -0.381) 0.467======================= Grid point 782 (387/488) =======================q-point: (-0.13 0.40 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.001 ( -11.715 5.931 -5.332) 14.172 3.248 ( -6.817 5.518 0.241) 8.774 3.872 ( -0.250 8.270 -3.523) 8.993 4.223 ( -15.429 7.586 -10.451) 20.120 5.827 ( 1.446 -1.554 5.554) 5.946 6.310 ( 8.650 0.411 4.785) 9.894 6.575 ( 4.363 -0.568 4.290) 6.145 7.608 ( 0.049 5.230 -2.189) 5.670 8.742 ( 3.285 3.000 2.076) 4.910 8.947 ( -7.597 -1.694 -4.756) 9.122 9.458 ( 9.150 -0.055 12.779) 15.717 10.365 ( 0.809 -6.852 1.129) 6.992 10.659 ( -3.293 -1.344 -9.092) 9.763 10.953 ( 6.209 -3.148 2.116) 7.276 12.799 ( -4.675 3.756 -0.939) 6.070 14.933 ( -3.750 0.535 -2.753) 4.683 15.571 ( 4.058 -9.879 1.292) 10.757 25.446 ( 0.137 -0.060 -0.203) 0.253======================= Grid point 783 (388/488) =======================q-point: (-0.07 0.40 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.729 ( -10.257 9.079 -1.466) 13.776 3.165 ( 1.236 2.744 -4.939) 5.783 3.745 ( 1.659 7.563 -1.908) 7.974 3.952 ( -10.447 7.232 -11.907) 17.413 5.835 ( 3.273 4.376 3.839) 6.678 6.359 ( 7.703 4.036 5.039) 10.051 6.586 ( 4.015 5.572 4.946) 8.463 7.530 ( 0.556 3.853 -2.561) 4.660 8.656 ( 4.253 9.307 5.551) 11.641 8.988 ( -6.654 -10.252 -8.767) 15.041 9.622 ( 9.344 -5.307 17.650) 20.664 10.491 ( 0.627 -5.413 -0.489) 5.471 10.616 ( -6.994 -3.075 -8.618) 11.517 11.078 ( 1.714 -6.306 1.203) 6.645 12.718 ( -3.561 0.800 -0.885) 3.755 14.876 ( -3.568 1.374 -1.780) 4.217 15.739 ( 0.543 -7.377 -1.176) 7.490 25.448 ( -0.020 -0.118 -0.022) 0.122======================= Grid point 791 (389/488) =======================q-point: ( 0.47 0.47 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 480Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.144 ( 0.834 0.000 3.219) 3.325 3.510 ( -5.655 -0.000 7.114) 9.087 3.791 ( 12.275 0.000 -14.231) 18.794 3.930 ( 3.853 0.000 -3.076) 4.930 5.590 ( 3.326 0.000 4.513) 5.607 6.204 ( 3.252 0.000 0.110) 3.254 6.683 ( -5.979 -0.000 6.431) 8.781 8.264 ( 3.289 0.000 -1.035) 3.448 8.480 ( 2.294 0.000 -12.719) 12.925 9.214 ( -1.749 -0.000 3.751) 4.139 9.787 ( -4.006 -0.000 -5.144) 6.520 10.599 ( 13.761 0.000 6.678) 15.295 10.710 ( -2.936 -0.000 -3.085) 4.259 11.022 ( -11.336 -0.000 0.488) 11.346 12.918 ( -0.206 -0.000 0.612) 0.645 14.314 ( -5.159 -0.000 -2.641) 5.796 15.257 ( 2.274 0.000 4.351) 4.910 25.425 ( 0.128 0.000 -0.352) 0.375======================= Grid point 792 (390/488) =======================q-point: (-0.47 -0.53 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.169 ( -3.852 -2.494 3.168) 5.576 3.479 ( -6.876 -5.434 5.337) 10.261 3.823 ( 6.303 3.100 -8.628) 11.126 4.123 ( 6.619 -13.993 -7.473) 17.189 5.612 ( -0.507 -0.107 4.676) 4.704 6.172 ( -2.190 4.517 0.945) 5.108 6.624 ( -6.323 0.764 8.496) 10.618 8.231 ( -0.616 5.365 0.002) 5.401 8.477 ( 1.181 0.346 -12.621) 12.681 9.255 ( -0.007 -5.148 3.183) 6.052 9.725 ( -2.636 2.253 -3.722) 5.087 10.680 ( -0.463 1.472 -2.919) 3.302 10.707 ( 9.939 5.262 7.223) 13.366 10.902 ( -5.403 1.318 -2.052) 5.928 12.962 ( 0.588 -4.806 0.356) 4.854 14.293 ( -2.937 -2.695 -1.070) 4.127 15.269 ( 3.703 2.800 2.429) 5.239 25.428 ( 0.421 -0.057 -0.504) 0.659======================= Grid point 793 (391/488) =======================q-point: (-0.40 -0.53 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.131 ( -8.464 -0.708 2.478) 8.847 3.589 ( -2.766 -11.347 -0.302) 11.683 3.831 ( -1.752 -2.557 -1.519) 3.452 4.430 ( 3.869 -16.500 -9.735) 19.545 5.605 ( -2.386 -0.723 5.305) 5.861 6.024 ( -6.308 7.753 1.213) 10.068 6.555 ( -6.353 1.431 9.232) 11.297 8.102 ( -3.066 7.029 2.735) 8.141 8.462 ( 0.685 0.319 -12.704) 12.727 9.358 ( -0.981 -5.856 2.430) 6.416 9.667 ( 0.142 2.003 -3.143) 3.730 10.553 ( -5.204 9.287 2.348) 10.902 10.673 ( 3.474 4.769 -0.762) 5.949 10.926 ( 9.773 1.329 0.000) 9.863 13.065 ( 0.134 -6.049 -0.499) 6.071 14.351 ( 0.219 -6.403 0.063) 6.407 15.248 ( 4.546 4.755 1.228) 6.692 25.433 ( 0.606 -0.065 -0.609) 0.862======================= Grid point 794 (392/488) =======================q-point: (-0.33 -0.53 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.061 ( -9.386 -1.821 1.240) 9.641 3.714 ( 5.275 -0.840 -12.213) 13.330 3.888 ( -16.680 -14.967 11.848) 25.350 4.655 ( -6.416 -11.580 -11.759) 17.707 5.647 ( 2.378 -5.034 6.418) 8.496 5.824 ( -6.741 7.365 0.888) 10.024 6.477 ( -6.356 1.470 8.674) 10.853 7.971 ( -2.785 5.472 5.125) 7.997 8.453 ( 0.596 -0.803 -12.517) 12.556 9.390 ( -4.507 -0.606 2.782) 5.331 9.659 ( 2.480 1.026 -3.470) 4.387 10.364 ( -3.066 7.121 2.336) 8.097 10.619 ( 4.695 6.403 -0.990) 8.001 10.996 ( 11.778 3.702 0.580) 12.359 13.128 ( -2.665 -2.447 -1.516) 3.922 14.516 ( 4.010 -10.739 0.336) 11.468 15.212 ( 4.540 5.041 0.923) 6.846 25.439 ( 0.653 -0.014 -0.640) 0.914======================= Grid point 795 (393/488) =======================q-point: (-0.27 -0.53 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.015 ( -8.682 -3.454 -0.632) 9.365 3.676 ( -3.852 4.427 -6.314) 8.620 3.982 ( -15.379 -12.620 6.325) 20.876 4.624 ( -17.150 -1.913 -11.016) 20.472 5.676 ( -4.430 2.256 2.401) 5.521 5.866 ( 9.010 -11.332 4.584) 15.186 6.420 ( -4.740 -0.580 7.359) 8.773 7.875 ( -2.156 4.391 4.359) 6.552 8.476 ( 0.749 -3.287 -10.745) 11.262 9.318 ( -5.871 3.014 3.557) 7.497 9.629 ( 3.172 5.552 -1.316) 6.528 10.285 ( -0.017 1.438 1.117) 1.821 10.569 ( 6.310 5.320 -0.611) 8.276 11.038 ( 11.650 5.389 0.308) 12.840 13.084 ( -5.551 2.223 -1.812) 6.248 14.760 ( 5.526 -11.391 -1.588) 12.760 15.187 ( 4.076 2.612 2.322) 5.369 25.444 ( 0.595 0.063 -0.588) 0.839======================= Grid point 796 (394/488) =======================q-point: (-0.20 -0.53 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.994 ( -7.719 -3.775 -3.131) 9.145 3.476 ( -16.213 6.477 1.566) 17.529 4.005 ( -6.449 -3.322 -3.826) 8.202 4.404 ( -19.839 3.050 -8.802) 21.917 5.668 ( -2.454 -4.590 4.226) 6.705 6.156 ( 8.755 -9.954 3.959) 13.835 6.442 ( -0.502 -4.697 5.638) 7.356 7.781 ( -2.522 4.707 1.242) 5.482 8.549 ( 0.845 -5.950 -8.354) 10.291 9.186 ( -5.770 6.437 3.969) 9.512 9.575 ( 6.411 5.660 3.962) 9.425 10.281 ( 1.313 0.558 0.733) 1.604 10.579 ( 5.446 0.695 -2.256) 5.936 11.053 ( 10.658 6.108 -0.241) 12.286 12.957 ( -6.737 4.678 -1.547) 8.346 14.926 ( 2.199 -2.901 -5.453) 6.556 15.260 ( 5.136 -6.163 5.365) 9.651 25.448 ( 0.483 0.123 -0.467) 0.683======================= Grid point 797 (395/488) =======================q-point: (-0.13 -0.53 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.937 ( -11.096 1.128 -4.016) 11.854 3.217 ( -13.444 3.047 1.204) 13.837 3.963 ( -0.575 2.966 -7.304) 7.904 4.135 ( -18.103 4.307 -7.481) 20.056 5.763 ( -0.970 -7.013 5.724) 9.105 6.340 ( 4.241 -4.331 2.990) 6.759 6.577 ( 4.744 -6.364 4.859) 9.307 7.673 ( -3.040 4.659 -0.964) 5.646 8.661 ( 0.811 -7.600 -7.332) 10.592 9.011 ( -4.125 8.895 4.311) 10.710 9.595 ( 9.238 2.623 10.098) 13.935 10.303 ( 1.238 -1.814 1.241) 2.523 10.617 ( 2.381 -0.082 -5.555) 6.045 11.054 ( 8.495 4.880 -0.440) 9.807 12.811 ( -6.200 4.356 -1.127) 7.661 14.924 ( -0.508 1.631 -5.149) 5.425 15.456 ( 4.050 -9.113 4.160) 10.806 25.449 ( 0.345 0.146 -0.302) 0.482======================= Grid point 798 (396/488) =======================q-point: (-0.07 -0.53 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.736 ( -11.246 5.050 -1.603) 12.432 3.150 ( -2.708 -2.467 -5.241) 6.395 3.868 ( -2.338 6.783 -3.581) 8.018 3.916 ( -8.816 2.738 -9.002) 12.894 5.864 ( 0.511 -3.865 5.135) 6.447 6.424 ( 2.852 -1.472 1.696) 3.630 6.697 ( 4.567 -0.470 5.562) 7.212 7.576 ( -2.504 3.202 -1.166) 4.228 8.785 ( -2.410 -7.058 -7.958) 10.907 8.841 ( 1.158 7.828 5.113) 9.421 9.695 ( 10.034 -0.743 15.067) 18.118 10.367 ( -1.854 -5.592 0.916) 5.962 10.593 ( -0.039 3.332 -8.658) 9.277 11.069 ( 4.816 1.256 -0.082) 4.977 12.700 ( -4.393 2.086 -0.724) 4.917 14.875 ( -1.165 2.092 -3.960) 4.627 15.625 ( 1.033 -7.239 2.030) 7.589 25.449 ( 0.189 0.135 -0.132) 0.267======================= Grid point 807 (397/488) =======================q-point: (-0.47 -0.47 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 480Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.111 ( -5.156 -0.000 4.291) 6.708 3.323 ( -13.463 -0.000 6.371) 14.895 3.959 ( -0.042 -0.000 -3.979) 3.979 4.005 ( 11.480 0.000 -15.167) 19.022 5.592 ( -4.334 -0.000 5.219) 6.784 6.160 ( -8.080 -0.000 1.754) 8.269 6.584 ( -5.674 -0.000 10.565) 11.992 8.260 ( -3.564 -0.000 -0.829) 3.659 8.459 ( -1.333 -0.000 -12.407) 12.479 9.220 ( 1.512 0.000 3.499) 3.812 9.716 ( -1.978 -0.000 -1.750) 2.641 10.695 ( 2.232 0.000 -2.522) 3.368 10.778 ( -7.613 -0.000 1.490) 7.757 10.957 ( 15.081 0.000 0.853) 15.105 12.925 ( 0.801 0.000 0.312) 0.860 14.252 ( -0.690 -0.000 0.442) 0.819 15.341 ( 5.330 0.000 0.424) 5.347 25.432 ( 0.690 0.000 -0.638) 0.940======================= Grid point 808 (398/488) =======================q-point: (-0.40 -0.47 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.042 ( -9.670 0.535 4.249) 10.576 3.286 ( -13.193 -11.011 6.441) 18.351 3.878 ( 0.980 4.689 -8.165) 9.467 4.209 ( 3.413 -11.883 -12.572) 17.633 5.553 ( -5.741 -1.224 6.055) 8.433 6.026 ( -12.376 3.504 2.102) 13.033 6.535 ( -5.091 1.297 10.960) 12.154 8.159 ( -6.324 4.995 0.616) 8.082 8.434 ( -2.306 -1.172 -12.097) 12.370 9.280 ( 1.660 -3.579 2.883) 4.886 9.688 ( -0.819 1.133 -0.256) 1.421 10.640 ( -4.075 6.277 -0.847) 7.532 10.736 ( 2.923 0.322 -1.724) 3.409 11.099 ( 15.835 2.370 0.967) 16.041 12.975 ( 0.652 -4.354 -0.083) 4.403 14.283 ( 1.811 -3.206 1.385) 3.934 15.372 ( 6.071 3.211 -0.873) 6.923 25.439 ( 0.852 -0.009 -0.720) 1.115======================= Grid point 809 (399/488) =======================q-point: (-0.33 -0.47 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.938 ( -11.457 -0.811 3.772) 12.089 3.404 ( -15.349 -17.689 7.725) 24.661 3.800 ( -0.878 3.510 -9.906) 10.546 4.378 ( -6.914 -11.091 -12.961) 18.406 5.568 ( -2.285 -5.374 7.178) 9.253 5.829 ( -12.553 4.473 1.365) 13.396 6.466 ( -5.057 2.506 9.717) 11.237 8.012 ( -6.461 4.456 3.813) 8.726 8.418 ( -1.741 -1.498 -12.366) 12.578 9.337 ( -1.526 -1.662 2.560) 3.413 9.675 ( 0.501 -0.107 -0.324) 0.606 10.489 ( 0.069 8.455 0.067) 8.456 10.755 ( 6.475 3.228 -0.676) 7.267 11.195 ( 14.239 4.142 -0.387) 14.834 13.046 ( -1.703 -3.793 -0.893) 4.252 14.410 ( 5.069 -7.823 1.641) 9.466 15.355 ( 5.637 5.578 -1.263) 8.030 25.447 ( 0.876 0.049 -0.726) 1.139======================= Grid point 810 (400/488) =======================q-point: (-0.27 -0.47 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.863 ( -10.805 -3.192 2.835) 11.618 3.509 ( -23.437 -12.321 11.404) 28.830 3.743 ( 0.789 -1.642 -13.273) 13.398 4.373 ( -17.345 -5.232 -11.965) 21.711 5.631 ( -11.337 -0.476 4.669) 12.270 5.758 ( 5.201 -9.367 2.400) 10.980 6.390 ( -4.531 1.633 7.784) 9.153 7.901 ( -5.254 2.811 4.921) 7.728 8.422 ( -0.331 -2.500 -11.551) 11.823 9.305 ( -4.481 1.840 3.270) 5.844 9.688 ( 0.678 -0.113 -0.890) 1.125 10.386 ( 5.360 6.985 1.434) 8.920 10.754 ( 9.239 6.240 0.371) 11.155 11.248 ( 12.495 5.270 -1.453) 13.639 13.043 ( -5.020 0.047 -1.473) 5.232 14.639 ( 7.622 -11.101 0.518) 13.476 15.303 ( 3.958 5.933 -0.292) 7.138 25.452 ( 0.796 0.145 -0.661) 1.044======================= Grid point 811 (401/488) =======================q-point: (-0.20 -0.47 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.834 ( -9.329 -4.893 1.039) 10.585 3.344 ( -24.955 1.131 6.860) 25.906 3.836 ( -2.169 -8.793 -9.849) 13.380 4.210 ( -20.202 -0.907 -9.408) 22.303 5.559 ( -7.791 -3.528 2.583) 8.934 6.038 ( 6.735 -13.556 3.665) 15.574 6.366 ( -2.790 -2.667 5.822) 6.985 7.811 ( -4.745 3.155 2.519) 6.230 8.469 ( 1.253 -4.245 -9.231) 10.237 9.212 ( -5.325 3.711 3.919) 7.582 9.687 ( 2.033 1.298 1.228) 2.707 10.360 ( 7.554 4.899 2.132) 9.253 10.738 ( 10.447 7.298 0.076) 12.744 11.267 ( 11.018 6.379 -2.287) 12.935 12.950 ( -6.900 3.179 -1.512) 7.746 14.883 ( 6.987 -7.466 -3.773) 10.900 15.264 ( 2.495 1.296 3.854) 4.771 25.456 ( 0.662 0.236 -0.548) 0.891======================= Grid point 812 (402/488) =======================q-point: (-0.13 -0.47 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.812 ( -10.775 -2.415 -1.143) 11.102 3.087 ( -19.110 0.566 4.292) 19.594 3.898 ( -7.417 -4.276 -9.693) 12.933 4.018 ( -12.514 0.847 -7.721) 14.729 5.606 ( -4.926 -8.799 4.338) 10.977 6.281 ( 3.575 -7.463 3.066) 8.824 6.466 ( 0.391 -10.186 4.063) 10.974 7.703 ( -4.974 4.021 -0.039) 6.396 8.560 ( 2.372 -5.681 -7.514) 9.714 9.088 ( -4.988 5.617 4.237) 8.625 9.712 ( 4.983 0.167 5.720) 7.588 10.358 ( 6.578 4.621 2.236) 8.344 10.722 ( 8.809 6.304 -1.817) 10.984 11.249 ( 9.172 7.476 -3.118) 12.236 12.815 ( -6.632 4.085 -1.022) 7.856 14.959 ( 2.452 2.016 -7.294) 7.955 15.364 ( 3.528 -7.372 7.231) 10.912 25.456 ( 0.511 0.292 -0.413) 0.719======================= Grid point 813 (403/488) =======================q-point: (-0.07 -0.47 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.671 ( -12.156 1.596 -0.851) 12.289 3.029 ( -6.078 -6.021 -1.046) 8.619 3.795 ( -12.502 -0.621 -5.523) 13.682 3.945 ( -0.297 1.922 -9.481) 9.679 5.738 ( -3.148 -10.178 5.366) 11.929 6.398 ( 1.751 -4.106 1.474) 4.701 6.650 ( 0.289 -8.732 3.887) 9.562 7.590 ( -4.736 3.258 -0.251) 5.754 8.675 ( 2.688 -5.766 -7.060) 9.504 8.946 ( -3.815 6.129 4.209) 8.357 9.796 ( 7.136 -1.407 10.443) 12.727 10.340 ( 2.756 3.461 1.315) 4.615 10.688 ( 5.440 6.242 -4.562) 9.454 11.199 ( 6.418 7.094 -3.300) 10.120 12.697 ( -4.592 2.887 -0.222) 5.429 14.913 ( 0.936 3.318 -5.974) 6.898 15.528 ( 1.918 -6.889 5.592) 9.078 25.455 ( 0.351 0.315 -0.282) 0.550======================= Grid point 823 (404/488) =======================q-point: (-0.40 -0.40 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 480Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.965 ( -10.612 -0.000 5.198) 11.817 3.037 ( -16.520 -0.000 6.668) 17.815 3.906 ( -4.097 -0.000 -4.445) 6.045 4.108 ( 1.915 0.000 -18.924) 19.021 5.483 ( -7.049 -0.000 7.416) 10.231 5.910 ( -16.331 -0.000 2.385) 16.505 6.518 ( -3.874 -0.000 10.937) 11.603 8.127 ( -9.012 -0.000 -0.463) 9.024 8.363 ( -4.770 -0.000 -10.301) 11.352 9.286 ( 3.881 0.000 2.979) 4.893 9.687 ( -1.445 -0.000 2.148) 2.589 10.659 ( -1.785 -0.000 -2.735) 3.266 10.782 ( 6.857 0.000 -1.957) 7.131 11.281 ( 15.310 0.000 0.403) 15.315 12.950 ( 1.593 0.000 0.066) 1.594 14.282 ( 2.993 0.000 2.423) 3.851 15.462 ( 6.615 0.000 -2.503) 7.072 25.447 ( 0.997 0.000 -0.775) 1.262======================= Grid point 824 (405/488) =======================q-point: (-0.33 -0.40 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.817 ( -13.854 0.890 5.754) 15.028 3.005 ( -16.541 -11.643 7.560) 21.594 3.817 ( -4.581 2.959 -8.091) 9.757 4.130 ( -7.965 -6.858 -17.498) 20.412 5.450 ( -8.092 -3.834 9.695) 13.198 5.738 ( -14.005 1.210 0.611) 14.070 6.481 ( -2.875 2.256 8.997) 9.711 8.000 ( -9.429 2.887 1.523) 9.978 8.329 ( -4.635 -2.938 -9.409) 10.892 9.332 ( 2.672 0.025 2.585) 3.718 9.672 ( -1.482 0.116 3.094) 3.433 10.622 ( 4.062 4.844 -2.160) 6.681 10.857 ( 8.783 0.361 -1.139) 8.864 11.398 ( 13.564 3.129 -1.369) 13.988 12.987 ( 0.605 -2.120 -0.296) 2.225 14.359 ( 4.732 -4.547 2.999) 7.215 15.490 ( 5.939 3.728 -3.378) 7.783 25.456 ( 1.013 0.061 -0.756) 1.265======================= Grid point 825 (406/488) =======================q-point: (-0.27 -0.40 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.700 ( -13.429 -2.468 5.951) 14.894 3.063 ( -20.430 -14.630 10.035) 27.058 3.713 ( -5.019 1.556 -12.070) 13.164 4.089 ( -17.014 -5.556 -14.769) 23.205 5.432 ( -17.688 -6.009 10.048) 21.212 5.680 ( 1.103 -4.758 -1.423) 5.088 6.412 ( -2.089 3.920 6.094) 7.541 7.881 ( -7.235 1.484 3.652) 8.240 8.336 ( -2.904 -4.090 -8.778) 10.110 9.322 ( -0.439 3.033 3.190) 4.423 9.669 ( -1.419 -1.035 2.106) 2.742 10.590 ( 10.165 7.070 -0.175) 12.384 10.935 ( 11.305 2.649 0.247) 11.614 11.452 ( 11.619 4.891 -3.179) 13.001 13.000 ( -2.563 -0.026 -0.868) 2.707 14.542 ( 6.985 -9.691 2.769) 12.263 15.447 ( 3.791 6.609 -3.121) 8.233 25.463 ( 0.925 0.174 -0.678) 1.160======================= Grid point 826 (407/488) =======================q-point: (-0.20 -0.40 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.649 ( -11.646 -5.348 5.384) 13.900 3.043 ( -25.269 -7.357 10.809) 28.452 3.674 ( -4.041 -5.255 -12.942) 14.541 3.951 ( -20.268 -3.598 -11.933) 23.794 5.367 ( -15.763 -6.828 4.962) 17.880 5.872 ( 4.254 -12.917 1.010) 13.637 6.344 ( -1.342 2.422 4.006) 4.870 7.804 ( -5.137 1.549 1.954) 5.710 8.385 ( -0.465 -5.128 -6.717) 8.463 9.246 ( -1.970 4.776 4.056) 6.569 9.679 ( -1.477 -1.665 1.721) 2.814 10.590 ( 14.224 8.026 1.855) 16.437 10.982 ( 12.968 6.745 0.610) 14.630 11.469 ( 10.206 5.485 -4.372) 12.384 12.932 ( -5.452 2.763 -1.158) 6.221 14.802 ( 7.965 -10.991 0.550) 13.585 15.353 ( 0.929 6.476 -0.474) 6.560 25.467 ( 0.781 0.296 -0.573) 1.013======================= Grid point 827 (408/488) =======================q-point: (-0.13 -0.40 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.640 ( -11.432 -5.067 3.160) 12.898 2.873 ( -21.554 -2.610 7.995) 23.136 3.706 ( -11.492 -4.900 -7.936) 14.800 3.840 ( -10.366 -7.252 -12.458) 17.755 5.379 ( -11.038 -10.178 3.659) 15.454 6.148 ( 2.672 -14.627 1.934) 14.994 6.333 ( -1.142 -2.377 2.424) 3.582 7.714 ( -4.824 3.433 -1.009) 6.006 8.476 ( 1.397 -6.016 -5.019) 7.959 9.143 ( -2.344 5.730 4.324) 7.551 9.711 ( 0.072 -3.029 3.490) 4.621 10.596 ( 14.715 9.660 3.019) 17.860 10.966 ( 11.657 9.879 -0.622) 15.292 11.459 ( 9.245 6.939 -5.318) 12.724 12.814 ( -6.148 3.755 -0.685) 7.236 14.995 ( 5.049 -2.103 -7.082) 8.948 15.311 ( 1.022 -2.343 7.853) 8.259 25.467 ( 0.616 0.386 -0.474) 0.868======================= Grid point 828 (409/488) =======================q-point: (-0.07 -0.40 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.547 ( -13.206 -1.250 1.031) 13.305 2.837 ( -8.074 -8.511 4.689) 12.634 3.626 ( -11.774 -3.917 -4.918) 13.347 3.889 ( -3.112 -5.381 -12.919) 14.337 5.491 ( -7.793 -13.557 4.812) 16.361 6.351 ( 3.231 -4.352 1.703) 5.681 6.437 ( -4.561 -13.722 1.485) 14.536 7.598 ( -5.015 3.963 -1.485) 6.562 8.594 ( 2.333 -6.716 -5.218) 8.819 9.017 ( -2.873 7.007 4.391) 8.754 9.794 ( 1.929 -4.763 6.072) 7.955 10.555 ( 11.657 12.043 3.012) 17.029 10.893 ( 8.211 10.388 -2.732) 13.520 11.400 ( 7.172 9.077 -6.183) 13.117 12.701 ( -4.463 2.997 0.598) 5.409 14.980 ( 2.079 3.765 -8.182) 9.244 15.444 ( 2.208 -7.092 9.414) 11.992 25.465 ( 0.447 0.435 -0.395) 0.738======================= Grid point 839 (410/488) =======================q-point: (-0.33 -0.33 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 480Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.710 ( -18.017 -0.000 8.836) 20.067 2.722 ( -15.011 -0.000 6.347) 16.298 3.774 ( -7.675 -0.000 -4.681) 8.990 3.949 ( -11.425 -0.000 -23.011) 25.691 5.302 ( -18.363 -0.000 13.084) 22.548 5.630 ( -7.402 -0.000 -1.786) 7.614 6.500 ( 0.326 0.000 6.190) 6.198 7.916 ( -11.593 -0.000 0.052) 11.594 8.243 ( -4.194 -0.000 -4.752) 6.338 9.378 ( 4.345 0.000 2.010) 4.787 9.659 ( -2.366 -0.000 5.747) 6.215 10.723 ( 9.009 0.000 -2.182) 9.270 10.951 ( 10.181 0.000 -1.249) 10.257 11.550 ( 11.794 0.000 -3.085) 12.191 12.986 ( 1.932 0.000 -0.124) 1.936 14.367 ( 4.061 0.000 4.056) 5.739 15.575 ( 5.260 0.000 -5.042) 7.287 25.466 ( 1.038 0.000 -0.715) 1.261======================= Grid point 840 (411/488) =======================q-point: (-0.27 -0.33 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.532 ( -16.299 -0.888 9.172) 18.723 2.673 ( -18.697 -9.741 9.320) 23.051 3.658 ( -8.887 2.120 -9.832) 13.421 3.820 ( -16.492 -3.731 -19.044) 25.467 5.136 ( -25.114 -5.010 13.556) 28.975 5.609 ( -1.140 -3.226 -3.158) 4.656 6.491 ( 2.878 3.974 1.954) 5.282 7.806 ( -9.994 -0.754 1.005) 10.073 8.235 ( -1.850 -3.027 -1.764) 3.961 9.396 ( 3.024 3.116 2.483) 5.002 9.644 ( -2.433 -0.204 5.893) 6.379 10.804 ( 14.377 3.852 -0.476) 14.892 11.065 ( 11.885 -0.624 -0.337) 11.906 11.625 ( 10.019 3.253 -5.112) 11.708 12.997 ( 0.396 1.032 -0.400) 1.175 14.467 ( 4.344 -6.554 4.600) 9.110 15.573 ( 3.149 4.518 -5.806) 8.003 25.474 ( 0.969 0.129 -0.624) 1.160======================= Grid point 841 (412/488) =======================q-point: (-0.20 -0.33 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.441 ( -14.441 -5.019 10.163) 18.358 2.667 ( -21.415 -10.571 11.779) 26.629 3.535 ( -9.181 -1.654 -14.689) 17.400 3.676 ( -19.025 -3.084 -13.215) 23.369 5.032 ( -23.558 -10.323 10.519) 27.788 5.704 ( -0.449 -9.361 -3.243) 9.917 6.434 ( 3.504 6.262 -0.569) 7.198 7.751 ( -6.226 -1.778 -1.088) 6.565 8.294 ( 1.157 -4.299 1.084) 4.582 9.345 ( 1.754 6.062 4.619) 7.821 9.635 ( -2.616 -1.129 3.945) 4.866 10.882 ( 18.346 6.713 1.486) 19.592 11.194 ( 14.084 1.751 0.669) 14.208 11.640 ( 8.723 4.724 -6.692) 11.966 12.942 ( -2.950 3.870 -0.776) 4.927 14.680 ( 5.230 -11.945 4.015) 13.643 15.476 ( -0.045 7.656 -4.682) 8.974 25.479 ( 0.835 0.288 -0.523) 1.026======================= Grid point 842 (413/488) =======================q-point: (-0.13 -0.33 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.425 ( -13.091 -6.839 8.829) 17.208 2.602 ( -20.108 -6.116 11.687) 24.048 3.502 ( -12.570 -3.557 -6.658) 14.663 3.554 ( -12.298 -10.221 -16.940) 23.295 5.038 ( -18.449 -14.067 6.892) 24.202 5.887 ( -3.005 -14.701 -2.625) 15.233 6.377 ( 4.037 4.396 -0.686) 6.008 7.707 ( -4.402 0.889 -4.999) 6.720 8.392 ( 2.443 -4.578 2.266) 5.663 9.257 ( 1.790 7.283 5.644) 9.386 9.652 ( -1.685 -3.219 3.727) 5.205 10.941 ( 19.568 9.877 2.727) 22.088 11.249 ( 12.865 8.660 -0.190) 15.509 11.640 ( 9.012 4.829 -7.368) 12.602 12.824 ( -5.052 4.654 -0.455) 6.884 14.936 ( 4.718 -10.529 -0.786) 11.564 15.341 ( -1.770 5.229 1.427) 5.702 25.480 ( 0.664 0.427 -0.450) 0.909======================= Grid point 843 (414/488) =======================q-point: (-0.07 -0.33 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.371 ( -14.248 -3.720 4.397) 15.368 2.607 ( -8.549 -10.086 10.955) 17.170 3.425 ( -11.106 -5.411 -5.061) 13.350 3.666 ( -6.233 -12.997 -14.900) 20.731 5.143 ( -13.508 -16.612 5.643) 22.142 6.103 ( -6.842 -16.950 -1.773) 18.365 6.376 ( 4.628 0.975 -0.340) 4.742 7.615 ( -4.286 3.758 -5.685) 8.050 8.493 ( 0.853 -5.443 -0.074) 5.510 9.153 ( 2.032 8.710 6.062) 10.805 9.724 ( 0.244 -5.397 4.780) 7.214 10.933 ( 17.257 14.447 2.984) 22.703 11.170 ( 8.419 12.668 -2.201) 15.369 11.613 ( 8.083 8.295 -8.515) 14.375 12.709 ( -4.237 3.163 1.365) 5.461 15.037 ( 1.986 0.967 -10.479) 10.709 15.360 ( 0.951 -6.383 12.455) 14.028 25.477 ( 0.484 0.512 -0.421) 0.821======================= Grid point 855 (415/488) =======================q-point: (-0.27 -0.27 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 480Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.375 ( -18.221 -0.000 14.405) 23.228 2.410 ( -17.840 -0.000 8.284) 19.670 3.580 ( -10.182 -0.000 -5.024) 11.354 3.580 ( -17.519 -0.000 -25.490) 30.930 4.829 ( -30.049 -0.000 15.930) 34.011 5.554 ( -2.695 -0.000 -5.234) 5.887 6.580 ( 6.764 0.000 -4.124) 7.922 7.680 ( -11.811 -0.000 0.481) 11.821 8.221 ( 3.741 0.000 5.447) 6.608 9.464 ( 3.684 0.000 0.893) 3.791 9.630 ( -2.493 -0.000 9.621) 9.939 11.004 ( 18.883 0.000 1.062) 18.912 11.171 ( 11.778 0.000 -0.461) 11.787 11.738 ( 8.543 0.000 -7.208) 11.178 13.024 ( 1.746 0.000 -0.274) 1.767 14.441 ( 1.186 0.000 5.790) 5.911 15.628 ( 1.451 0.000 -7.892) 8.025 25.484 ( 0.935 0.000 -0.522) 1.071======================= Grid point 856 (416/488) =======================q-point: (-0.20 -0.27 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.233 ( -16.426 -2.893 15.247) 22.597 2.323 ( -18.646 -8.087 12.863) 24.053 3.366 ( -16.820 -0.581 -23.582) 28.972 3.469 ( -12.945 -0.249 -6.318) 14.407 4.616 ( -29.688 -8.634 15.649) 34.653 5.553 ( -3.735 -5.014 -7.597) 9.839 6.587 ( 5.929 5.827 -7.418) 11.141 7.610 ( -9.505 -4.652 -1.858) 10.744 8.314 ( 10.470 -0.701 10.605) 14.919 9.467 ( 3.350 3.913 3.141) 6.033 9.611 ( -2.747 0.678 8.341) 8.808 11.175 ( 21.419 4.169 2.445) 21.957 11.322 ( 13.892 -2.682 0.910) 14.178 11.778 ( 7.527 3.171 -8.995) 12.150 12.999 ( -0.163 4.460 -0.503) 4.491 14.529 ( -0.444 -9.418 6.040) 11.197 15.572 ( -1.407 5.254 -8.258) 9.888 25.491 ( 0.831 0.192 -0.421) 0.951======================= Grid point 857 (417/488) =======================q-point: (-0.13 -0.27 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.183 ( -15.223 -6.802 14.591) 22.156 2.313 ( -15.917 -8.794 16.138) 24.313 3.237 ( -14.978 -7.774 -20.333) 26.424 3.329 ( -12.909 -0.758 -5.679) 14.124 4.575 ( -24.703 -16.466 12.505) 32.214 5.625 ( -5.319 -10.324 -9.025) 14.708 6.516 ( 4.436 6.606 -5.482) 9.663 7.609 ( -7.089 -4.910 -8.077) 11.815 8.448 ( 13.209 2.107 12.121) 18.051 9.418 ( 3.917 6.935 7.495) 10.937 9.593 ( -2.569 -1.605 4.606) 5.513 11.300 ( 21.640 7.255 2.459) 22.955 11.487 ( 14.463 3.104 1.866) 14.909 11.781 ( 8.384 3.266 -9.645) 13.191 12.877 ( -3.350 7.079 -0.575) 7.852 14.743 ( -0.972 -15.049 3.829) 15.559 15.425 ( -3.273 7.299 -4.818) 9.338 25.493 ( 0.666 0.395 -0.362) 0.855======================= Grid point 858 (418/488) =======================q-point: (-0.07 -0.27 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.153 ( -14.934 -5.975 9.918) 18.897 2.372 ( -7.528 -10.503 17.108) 21.440 3.217 ( -10.300 -6.072 -6.747) 13.729 3.324 ( -9.244 -14.711 -14.530) 22.649 4.683 ( -18.812 -20.332 9.573) 29.308 5.754 ( -8.041 -14.363 -8.681) 18.610 6.468 ( 4.691 3.803 -2.862) 6.683 7.584 ( -5.930 -1.217 -11.097) 12.641 8.512 ( 7.771 4.455 8.525) 12.366 9.345 ( 4.915 8.445 8.756) 13.120 9.642 ( -0.085 -5.037 4.304) 6.626 11.357 ( 20.431 12.355 2.177) 23.975 11.458 ( 7.561 12.467 -0.663) 14.595 11.807 ( 9.996 5.655 -9.713) 15.042 12.733 ( -3.958 4.824 1.321) 6.378 14.959 ( -1.770 -10.753 -5.767) 12.329 15.321 ( -0.574 0.617 6.720) 6.773 25.490 ( 0.476 0.543 -0.361) 0.807======================= Grid point 871 (419/488) =======================q-point: (-0.20 -0.20 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 480Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.070 ( -18.296 -0.000 11.411) 21.563 2.090 ( -14.456 -0.000 23.933) 27.960 3.143 ( -18.897 -0.000 -24.355) 30.826 3.349 ( -11.114 -0.000 -5.727) 12.503 4.243 ( -32.436 -0.000 18.942) 37.561 5.453 ( -4.885 -0.000 -12.117) 13.064 6.678 ( 3.693 0.000 -13.283) 13.786 7.458 ( -10.256 -0.000 0.674) 10.279 8.498 ( 22.228 0.000 16.033) 27.407 9.528 ( 2.603 0.000 0.021) 2.603 9.622 ( -0.917 -0.000 13.867) 13.897 11.406 ( 11.486 0.000 0.202) 11.488 11.463 ( 25.247 0.000 5.504) 25.840 11.864 ( 6.943 0.000 -10.931) 12.950 13.052 ( 1.137 0.000 -0.392) 1.203 14.409 ( -7.265 -0.000 6.656) 9.853 15.582 ( -3.476 -0.000 -10.217) 10.793 25.500 ( 0.762 0.000 -0.323) 0.827======================= Grid point 872 (420/488) =======================q-point: (-0.13 -0.20 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.947 ( -16.691 -4.514 15.598) 23.286 2.066 ( -10.422 -7.166 25.130) 28.134 2.951 ( -17.437 -3.759 -20.501) 27.175 3.208 ( -11.856 1.931 -5.605) 13.255 4.069 ( -28.688 -13.336 17.907) 36.353 5.424 ( -5.613 -5.082 -15.666) 17.400 6.633 ( 0.701 4.651 -10.719) 11.705 7.417 ( -8.829 -5.815 -3.379) 11.099 8.750 ( 28.451 5.154 15.968) 33.030 9.547 ( 2.792 0.532 0.915) 2.986 9.596 ( 0.420 5.183 14.867) 15.750 11.543 ( 13.413 -1.412 -0.064) 13.488 11.707 ( 22.404 2.462 7.594) 23.784 11.897 ( 8.622 2.263 -11.985) 14.936 12.985 ( -1.120 7.948 -0.589) 8.048 14.439 ( -11.373 -13.967 5.038) 18.703 15.481 ( -4.706 4.807 -8.403) 10.764 25.505 ( 0.616 0.257 -0.270) 0.720======================= Grid point 873 (421/488) =======================q-point: (-0.07 -0.20 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.913 ( -14.304 -6.971 15.936) 22.520 2.164 ( -5.425 -9.680 23.258) 25.769 2.917 ( -11.424 -13.252 -14.001) 22.409 3.080 ( -9.726 -2.221 -6.167) 11.728 4.138 ( -21.923 -21.699 14.691) 34.166 5.460 ( -7.257 -9.450 -16.854) 20.640 6.557 ( 1.085 3.413 -5.598) 6.645 7.428 ( -8.270 -5.993 -9.057) 13.651 8.853 ( 21.197 16.233 11.133) 28.926 9.529 ( 0.893 4.680 12.334) 13.222 9.591 ( 6.002 -0.604 4.672) 7.630 11.665 ( 11.357 5.160 -3.433) 12.938 11.763 ( 12.667 9.089 3.818) 16.051 11.992 ( 16.580 3.707 -6.168) 18.075 12.807 ( -3.566 8.698 0.139) 9.402 14.625 ( -11.684 -20.519 -0.669) 23.622 15.359 ( -1.305 3.494 -1.075) 3.882 25.503 ( 0.427 0.489 -0.271) 0.704======================= Grid point 887 (422/488) =======================q-point: (-0.13 -0.13 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 480Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.765 ( -15.100 -0.000 15.466) 21.615 1.963 ( -5.673 -0.000 32.276) 32.771 2.715 ( -17.297 -0.000 -16.454) 23.873 3.117 ( -10.016 -0.000 -6.781) 12.096 3.676 ( -28.555 -0.000 21.491) 35.739 5.302 ( -5.447 -0.000 -21.147) 21.837 6.639 ( -3.412 -0.000 -11.765) 12.250 7.281 ( -7.401 -0.000 0.623) 7.427 9.132 ( 29.654 0.000 10.992) 31.626 9.568 ( 1.434 0.000 -0.405) 1.490 9.759 ( 16.929 0.000 23.124) 28.658 11.619 ( 9.375 0.000 0.572) 9.392 11.919 ( 8.425 0.000 -2.547) 8.802 12.043 ( 22.777 0.000 -1.888) 22.855 13.066 ( 0.362 0.000 -0.450) 0.578 14.127 ( -23.972 -0.000 3.968) 24.298 15.458 ( -5.232 -0.000 -8.320) 9.829 25.512 ( 0.496 0.000 -0.219) 0.542======================= Grid point 888 (423/488) =======================q-point: (-0.07 -0.13 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.699 ( -11.568 -5.263 18.349) 22.321 2.019 ( -4.024 -6.041 28.140) 29.061 2.606 ( -10.915 -7.650 -7.876) 15.482 2.982 ( -8.344 1.889 -6.156) 10.539 3.606 ( -21.639 -17.244 18.999) 33.564 5.252 ( -5.988 -4.354 -24.049) 25.163 6.573 ( -3.463 1.008 -6.910) 7.794 7.252 ( -6.524 -3.977 -2.328) 7.988 9.324 ( 16.999 6.158 3.344) 18.386 9.543 ( -1.455 3.092 2.484) 4.225 9.918 ( 31.335 16.887 23.369) 42.581 11.779 ( 10.530 -4.512 -0.372) 11.462 11.931 ( 4.437 3.072 -6.292) 8.289 12.266 ( 23.132 2.900 3.183) 23.529 12.949 ( -2.425 11.294 -0.528) 11.564 14.058 ( -27.408 -22.810 -0.092) 35.658 15.385 ( -2.224 1.772 -3.711) 4.675 25.513 ( 0.334 0.304 -0.211) 0.499======================= Grid point 903 (424/488) =======================q-point: (-0.07 -0.07 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 480Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.580 ( -7.362 -0.000 18.524) 19.933 1.948 ( -8.752 -0.000 23.559) 25.132 2.472 ( -0.520 -0.000 5.357) 5.382 2.927 ( -6.595 -0.000 -7.743) 10.171 3.269 ( -16.967 -0.000 22.126) 27.882 5.126 ( -5.171 -0.000 -28.613) 29.076 6.524 ( -4.778 -0.000 -4.527) 6.582 7.171 ( -3.694 -0.000 0.400) 3.715 9.433 ( 4.504 0.000 3.916) 5.969 9.584 ( 0.298 0.000 -0.365) 0.471 10.685 ( 60.894 0.000 21.037) 64.425 11.774 ( 5.680 0.000 0.541) 5.706 11.975 ( 1.166 0.000 -7.714) 7.801 12.506 ( 18.937 0.000 3.213) 19.208 13.065 ( -0.242 -0.000 -0.372) 0.444 13.444 ( -43.591 -0.000 -0.311) 43.592 15.368 ( -1.934 -0.000 -2.285) 2.994 25.519 ( 0.222 0.000 -0.190) 0.292======================= Grid point 904 (425/488) =======================q-point: ( 0.00 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 248Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.771 ( 0.000 0.000 0.000) 0.000 1.959 ( 0.000 0.000 -0.000) 0.000 2.661 ( 0.000 0.000 0.000) 0.000 2.734 ( 0.000 0.000 0.000) 0.000 3.649 ( 0.000 0.000 0.000) 0.000 4.496 ( -0.000 -0.000 0.000) 0.000 6.450 ( -0.000 0.000 0.000) 0.000 7.139 ( -0.000 0.000 0.000) 0.000 9.526 ( 0.000 0.000 0.000) 0.000 9.579 ( 0.000 0.000 0.000) 0.000 11.707 ( 0.000 0.000 0.000) 0.000 11.842 ( -0.000 -0.000 0.000) 0.000 12.100 ( 0.000 0.000 0.000) 0.000 12.505 ( -0.000 -0.000 0.000) 0.000 12.843 ( 0.000 0.000 0.000) 0.000 13.056 ( 0.000 0.000 0.000) 0.000 15.355 ( -0.000 -0.000 0.000) 0.000 25.519 ( -0.000 0.000 0.000) 0.000======================= Grid point 906 (426/488) =======================q-point: ( 0.07 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.877 ( 0.502 -9.286 -4.210) 10.208 2.010 ( 5.604 -5.102 8.291) 11.233 2.705 ( -0.336 -5.126 -8.828) 10.214 2.734 ( 2.924 0.759 3.026) 4.276 3.814 ( 6.203 -15.795 -9.437) 19.417 4.571 ( 5.145 -5.110 9.645) 12.066 6.463 ( 0.232 -1.086 1.004) 1.497 7.146 ( 2.201 0.322 0.031) 2.225 9.490 ( -4.154 7.440 1.574) 8.665 9.561 ( 2.019 -1.216 -1.852) 2.997 10.898 ( -19.690 44.017 -5.385) 48.520 11.895 ( -2.581 2.904 -0.027) 3.885 11.996 ( -10.366 -0.534 1.233) 10.453 12.676 ( -10.706 1.508 -0.341) 10.817 12.907 ( 1.631 13.171 -1.438) 13.349 13.410 ( 27.262 -39.574 0.731) 48.061 15.387 ( -0.918 -4.233 -1.128) 4.476 25.516 ( -0.085 0.354 -0.022) 0.364======================= Grid point 907 (427/488) =======================q-point: ( 0.13 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.988 ( 0.809 -5.724 -0.980) 5.863 2.321 ( 10.761 -18.056 5.516) 21.731 2.736 ( 2.205 -0.980 -6.799) 7.214 2.844 ( 0.373 -9.622 -2.411) 9.926 4.213 ( 10.094 -22.423 -15.865) 29.264 4.799 ( 9.975 -11.166 18.031) 23.437 6.484 ( -0.828 -1.129 2.241) 2.643 7.183 ( 4.626 -0.833 1.506) 4.936 9.186 ( -7.952 21.254 2.377) 22.817 9.623 ( 2.253 -3.349 -3.037) 5.051 10.164 ( -14.169 21.090 -10.566) 27.517 11.756 ( -6.180 7.575 -1.185) 9.847 11.889 ( -5.195 5.316 6.512) 9.881 12.301 ( -16.129 22.422 1.944) 27.689 12.799 ( 2.802 3.969 -3.780) 6.156 14.230 ( 15.489 -29.781 3.603) 33.761 15.468 ( -0.539 -6.889 -6.517) 9.498 25.506 ( -0.198 0.620 0.019) 0.651======================= Grid point 908 (428/488) =======================q-point: ( 0.20 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.110 ( 3.209 -6.602 -0.673) 7.372 2.758 ( 8.442 -16.283 -17.889) 25.621 2.790 ( 4.372 -7.452 13.342) 15.895 3.030 ( 0.697 -12.221 -1.528) 12.336 4.662 ( 10.241 -20.950 -15.300) 27.890 5.192 ( 13.900 -18.258 19.503) 30.116 6.479 ( -2.853 -0.141 2.397) 3.729 7.266 ( 5.983 -1.865 4.128) 7.505 8.756 ( -5.535 18.504 0.448) 19.319 9.684 ( 1.884 1.074 -6.654) 6.998 9.810 ( -10.098 5.780 -7.854) 14.038 11.530 ( -7.974 10.654 -0.236) 13.310 11.680 ( -6.759 22.612 13.285) 27.083 11.789 ( -10.774 12.532 -1.151) 16.567 12.767 ( 1.032 1.904 -4.411) 4.914 14.696 ( 3.865 -14.512 7.565) 16.816 15.581 ( 0.478 -7.897 -12.597) 14.875 25.492 ( -0.308 0.735 0.141) 0.810======================= Grid point 909 (429/488) =======================q-point: ( 0.27 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.262 ( 3.998 -7.168 -1.559) 8.354 2.854 ( 1.504 -5.254 -11.622) 12.843 3.188 ( 6.560 -16.615 3.967) 18.299 3.257 ( 4.251 -12.845 2.359) 13.734 5.068 ( 9.234 -18.485 -8.877) 22.489 5.697 ( 14.726 -20.991 14.011) 29.220 6.446 ( -3.833 -0.091 1.239) 4.030 7.359 ( 5.538 -1.221 4.905) 7.498 8.525 ( 0.596 6.249 0.665) 6.312 9.470 ( -8.488 11.398 -11.349) 18.186 9.819 ( 0.979 -4.881 -2.061) 5.388 11.166 ( -11.361 23.472 10.856) 28.246 11.258 ( -5.858 14.173 -0.838) 15.359 11.577 ( -5.196 8.722 3.356) 10.693 12.739 ( 0.184 1.579 -3.897) 4.209 14.862 ( -2.022 -4.803 7.477) 9.114 15.682 ( -0.351 -5.663 -13.424) 14.574 25.477 ( -0.357 0.692 0.292) 0.831======================= Grid point 910 (430/488) =======================q-point: ( 0.33 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.412 ( 3.322 -6.532 -1.974) 7.589 2.945 ( 1.675 -5.268 -9.333) 10.847 3.439 ( 0.609 -11.644 -0.857) 11.691 3.537 ( 7.189 -9.855 6.857) 13.994 5.438 ( 7.872 -16.614 -4.745) 18.987 6.178 ( 12.571 -17.170 9.141) 23.160 6.430 ( -2.800 -2.690 0.020) 3.883 7.430 ( 4.739 -0.747 2.966) 5.641 8.533 ( 3.296 -3.077 2.804) 5.310 9.183 ( -6.734 11.472 -9.133) 16.136 9.916 ( 2.352 -4.868 -1.596) 5.637 10.727 ( -8.545 18.492 7.200) 21.606 10.965 ( -6.546 13.368 1.089) 14.924 11.387 ( -4.075 9.005 3.220) 10.396 12.707 ( -0.343 1.652 -2.868) 3.328 14.879 ( -3.468 -0.488 5.210) 6.278 15.719 ( -1.693 -2.305 -10.659) 11.036 25.463 ( -0.321 0.534 0.376) 0.727======================= Grid point 911 (431/488) =======================q-point: ( 0.40 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.530 ( 1.978 -4.533 -1.578) 5.191 3.029 ( 1.592 -3.835 -6.363) 7.598 3.604 ( -0.042 -7.858 -0.750) 7.894 3.717 ( 4.085 -4.271 5.504) 8.076 5.745 ( 5.423 -12.216 -2.787) 13.653 6.421 ( 1.787 -2.738 1.200) 3.483 6.578 ( 5.616 -12.104 3.811) 13.877 7.489 ( 3.668 -0.862 0.871) 3.868 8.645 ( -0.528 -6.360 3.202) 7.140 8.959 ( -0.085 9.200 -5.542) 10.741 10.021 ( 3.737 -4.130 0.144) 5.572 10.408 ( -7.089 10.926 1.152) 13.075 10.701 ( -5.392 11.058 2.980) 12.658 11.216 ( -2.852 7.364 2.259) 8.213 12.672 ( -0.514 1.459 -1.716) 2.310 14.845 ( -2.871 0.915 2.958) 4.222 15.708 ( -1.832 -0.278 -6.729) 6.979 25.454 ( -0.217 0.324 0.320) 0.504======================= Grid point 912 (432/488) =======================q-point: ( 0.47 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.593 ( 0.629 -1.605 -0.595) 1.824 3.079 ( 0.685 -1.394 -2.313) 2.786 3.691 ( -0.268 -2.780 -0.247) 2.804 3.791 ( 1.406 -1.040 2.090) 2.725 5.922 ( 1.919 -4.511 -1.000) 5.003 6.463 ( 0.434 -1.173 0.161) 1.261 6.769 ( 2.444 -4.462 1.465) 5.295 7.528 ( 1.437 -0.400 0.046) 1.492 8.690 ( -3.777 -1.886 0.320) 4.234 8.887 ( 3.899 2.326 -0.705) 4.594 10.121 ( 5.399 -1.468 4.901) 7.438 10.229 ( -6.261 2.387 -6.218) 9.141 10.521 ( -2.318 5.307 2.737) 6.405 11.108 ( -1.079 2.986 0.816) 3.278 12.649 ( -0.242 0.607 -0.570) 0.867 14.813 ( -1.112 0.538 0.959) 1.563 15.687 ( -0.765 0.132 -2.301) 2.428 25.449 ( -0.076 0.107 0.126) 0.182======================= Grid point 921 (433/488) =======================q-point: ( 0.07 0.07 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 488Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.832 ( 6.818 0.000 -5.445) 8.725 2.036 ( 5.934 0.000 14.314) 15.495 2.639 ( -0.092 -0.000 -15.254) 15.254 2.807 ( 6.646 0.000 2.929) 7.263 3.757 ( 13.365 0.000 -15.278) 20.299 4.616 ( 8.856 0.000 15.387) 17.754 6.462 ( 0.840 0.000 1.806) 1.992 7.180 ( 4.091 0.000 -0.486) 4.120 9.493 ( -3.965 -0.000 -1.758) 4.337 9.571 ( -0.908 -0.000 0.845) 1.241 10.992 ( -48.746 -0.000 -10.255) 49.813 11.790 ( -5.011 -0.000 -0.995) 5.109 11.886 ( -5.360 -0.000 1.060) 5.464 12.549 ( -14.779 -0.000 -1.593) 14.865 13.056 ( -0.114 -0.000 0.539) 0.551 13.462 ( 45.629 0.000 -1.780) 45.663 15.337 ( -1.443 -0.000 0.715) 1.610 25.517 ( -0.203 -0.000 -0.040) 0.207======================= Grid point 922 (434/488) =======================q-point: ( 0.13 0.07 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.948 ( 8.083 -3.981 -3.637) 9.716 2.211 ( 11.027 -9.365 13.547) 19.820 2.654 ( -0.184 -4.427 -20.274) 20.753 2.865 ( 9.030 2.176 3.827) 10.046 4.023 ( 18.151 -13.784 -17.062) 28.471 4.789 ( 11.401 -5.846 18.911) 22.842 6.475 ( 0.449 -0.096 2.801) 2.839 7.231 ( 6.151 -0.233 0.203) 6.159 9.345 ( -12.247 9.922 0.803) 15.782 9.583 ( 0.193 -2.600 -1.628) 3.074 10.316 ( -27.052 20.445 -16.265) 37.608 11.763 ( -10.225 0.673 0.973) 10.293 11.829 ( -6.373 -1.274 3.660) 7.459 12.327 ( -22.471 5.330 -2.735) 23.256 12.947 ( 1.838 9.932 -0.324) 10.106 14.062 ( 31.191 -18.461 -0.276) 36.246 15.357 ( -1.221 -3.795 -1.026) 4.117 25.511 ( -0.365 0.345 0.000) 0.502======================= Grid point 923 (435/488) =======================q-point: ( 0.20 0.07 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.100 ( 10.472 -3.500 0.661) 11.061 2.571 ( 12.925 -15.927 -0.048) 20.512 2.718 ( 0.690 -6.480 -12.562) 14.152 2.959 ( 10.167 -1.805 3.402) 10.872 4.458 ( 18.232 -17.534 -15.892) 29.873 5.092 ( 12.885 -12.859 19.738) 26.850 6.469 ( -1.208 1.030 2.638) 3.078 7.315 ( 7.608 -1.162 3.039) 8.275 8.960 ( -14.327 16.256 -1.082) 21.695 9.644 ( -0.827 -4.976 -2.975) 5.856 9.852 ( -9.742 12.710 -16.063) 22.682 11.584 ( -12.132 7.234 4.353) 14.781 11.763 ( -7.799 1.729 4.629) 9.233 11.925 ( -20.795 14.858 -0.484) 25.562 12.831 ( 1.895 5.795 -2.075) 6.440 14.570 ( 15.018 -13.202 4.236) 20.439 15.429 ( -1.312 -6.829 -7.417) 10.167 25.499 ( -0.512 0.572 0.122) 0.778======================= Grid point 924 (436/488) =======================q-point: ( 0.27 0.07 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.272 ( 13.017 -2.664 0.647) 13.302 2.772 ( 3.788 -5.395 -22.596) 23.538 3.027 ( 10.557 -16.741 13.015) 23.688 3.138 ( 10.395 -7.291 0.546) 12.709 4.886 ( 14.915 -15.803 -10.493) 24.131 5.517 ( 12.855 -19.090 15.503) 27.750 6.427 ( -2.529 1.694 0.782) 3.143 7.416 ( 7.410 -0.732 5.689) 9.371 8.632 ( -6.163 8.984 -3.138) 11.337 9.546 ( -9.613 9.509 -11.114) 17.503 9.737 ( 1.797 -4.246 -4.954) 6.768 11.285 ( -17.878 11.894 7.309) 22.683 11.487 ( -11.230 16.851 0.216) 20.251 11.636 ( -6.942 5.148 4.968) 9.969 12.775 ( 1.316 2.972 -2.503) 4.102 14.814 ( 4.848 -4.250 7.266) 9.714 15.525 ( -2.558 -8.145 -12.096) 14.806 25.484 ( -0.579 0.627 0.288) 0.900======================= Grid point 925 (437/488) =======================q-point: ( 0.33 0.07 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.442 ( 14.346 -1.176 -1.025) 14.431 2.875 ( 4.661 -5.099 -15.517) 16.986 3.324 ( 8.124 -8.216 6.118) 13.074 3.443 ( 10.743 -12.669 4.284) 17.154 5.257 ( 10.898 -14.805 -5.472) 19.181 5.986 ( 10.032 -20.358 9.983) 24.794 6.384 ( -1.816 0.242 -1.243) 2.214 7.493 ( 6.462 0.666 5.381) 8.435 8.529 ( -0.488 0.224 -2.092) 2.159 9.286 ( -6.103 9.961 -7.845) 14.072 9.828 ( 0.611 -5.808 -4.909) 7.630 10.889 ( -16.719 14.365 7.011) 23.130 11.138 ( -7.746 14.747 1.162) 16.698 11.475 ( -5.983 7.089 4.547) 10.330 12.742 ( 1.441 2.440 -1.749) 3.330 14.871 ( 0.307 0.395 6.502) 6.521 15.598 ( -4.242 -6.405 -11.627) 13.936 25.469 ( -0.547 0.529 0.410) 0.865======================= Grid point 926 (438/488) =======================q-point: ( 0.40 0.07 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.587 ( 14.333 0.907 -2.470) 14.572 2.985 ( 5.082 -3.977 -9.836) 11.764 3.531 ( 7.381 -6.348 4.678) 10.801 3.700 ( 8.139 -5.767 4.872) 11.101 5.581 ( 7.095 -13.738 -3.865) 15.938 6.377 ( -1.404 -10.832 1.587) 11.037 6.401 ( 6.487 -8.285 2.566) 10.831 7.542 ( 5.418 1.280 3.482) 6.566 8.557 ( -1.482 -3.516 -0.545) 3.854 9.096 ( 0.314 7.867 -4.154) 8.902 9.927 ( -0.291 -6.735 -6.184) 9.148 10.528 ( -11.693 12.197 5.276) 17.701 10.838 ( -7.339 12.419 2.463) 14.634 11.301 ( -5.305 7.342 3.404) 9.677 12.715 ( 2.070 2.759 -0.708) 3.522 14.853 ( -1.092 1.696 4.720) 5.133 15.625 ( -4.758 -4.250 -8.673) 10.767 25.457 ( -0.439 0.344 0.406) 0.690======================= Grid point 927 (439/488) =======================q-point: ( 0.47 0.07 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.687 ( 13.307 3.485 -2.880) 14.054 3.072 ( 4.609 -1.627 -4.656) 6.750 3.688 ( 6.667 -3.159 4.865) 8.837 3.817 ( 5.914 0.326 2.974) 6.628 5.826 ( 3.334 -9.446 -3.191) 10.513 6.430 ( -0.188 -2.935 -1.676) 3.385 6.657 ( 0.324 -10.422 3.152) 10.893 7.565 ( 3.328 1.834 2.298) 4.441 8.592 ( -3.407 -4.112 1.099) 5.452 9.012 ( 4.739 5.978 -2.739) 8.105 10.011 ( -4.395 -6.123 -10.589) 12.997 10.295 ( -3.408 5.977 6.230) 9.282 10.600 ( -5.672 8.335 3.684) 10.734 11.149 ( -4.444 5.005 1.568) 6.874 12.692 ( 2.844 2.848 0.256) 4.033 14.823 ( -0.396 1.176 2.988) 3.235 15.632 ( -3.991 -3.283 -4.785) 7.043 25.450 ( -0.289 0.131 0.256) 0.408======================= Grid point 928 (440/488) =======================q-point: ( 0.53 0.07 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.726 ( 11.619 6.436 -1.958) 13.426 3.114 ( 3.865 1.322 -0.198) 4.089 3.775 ( 4.166 0.388 4.297) 5.998 3.830 ( 5.685 4.861 0.462) 7.494 5.933 ( -0.519 -1.721 -1.538) 2.366 6.458 ( -0.881 -0.989 -1.771) 2.211 6.746 ( -4.847 -2.599 0.554) 5.528 7.550 ( 0.432 2.657 2.093) 3.410 8.659 ( -0.102 -6.268 3.993) 7.432 8.935 ( 1.678 7.696 -4.411) 9.028 9.982 ( -10.031 -3.127 -13.698) 17.264 10.308 ( 5.970 -1.729 9.590) 11.428 10.474 ( -2.832 1.194 1.178) 3.291 11.071 ( -2.740 -0.346 -0.564) 2.819 12.681 ( 3.243 2.188 1.162) 4.081 14.823 ( 1.826 -0.145 1.162) 2.169 15.649 ( -2.648 -3.378 -0.498) 4.321 25.447 ( -0.130 -0.079 0.019) 0.154======================= Grid point 929 (441/488) =======================q-point: (-0.40 0.07 0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.697 ( 9.283 9.544 0.104) 13.315 3.106 ( 3.640 4.200 2.567) 6.121 3.742 ( -2.810 4.218 -2.135) 5.500 3.797 ( 8.884 8.717 3.678) 12.978 5.864 ( -3.964 7.064 0.845) 8.144 6.434 ( -2.678 1.616 -3.120) 4.418 6.655 ( -7.394 5.290 -1.391) 9.198 7.495 ( -1.885 3.118 1.610) 3.984 8.772 ( -2.593 9.808 -6.178) 11.878 8.819 ( 3.878 -9.657 7.499) 12.827 9.932 ( -9.250 -4.639 -12.529) 16.250 10.385 ( 4.892 -0.254 9.355) 10.559 10.562 ( 3.085 -10.591 -2.520) 11.316 11.110 ( -0.557 -6.326 -2.166) 6.710 12.687 ( 2.859 1.036 2.058) 3.672 14.866 ( 4.563 -0.943 -0.943) 4.754 15.689 ( -1.606 -3.469 3.785) 5.379 25.450 ( 0.016 -0.287 -0.196) 0.348======================= Grid point 930 (442/488) =======================q-point: (-0.33 0.07 0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.596 ( 6.403 12.139 2.360) 13.925 3.057 ( 3.732 6.530 3.224) 8.183 3.601 ( -5.036 7.397 -4.498) 10.015 3.695 ( 6.169 13.633 4.100) 15.515 5.637 ( -5.636 14.104 3.416) 15.568 6.274 ( -11.700 10.716 -8.076) 17.803 6.509 ( -0.111 4.236 -0.130) 4.240 7.420 ( -3.021 2.956 -0.002) 4.227 8.570 ( -5.402 7.458 -5.863) 10.917 9.072 ( 7.761 -11.875 10.385) 17.581 9.898 ( -7.005 -2.260 -7.729) 10.673 10.515 ( 3.338 -10.578 -0.523) 11.104 10.812 ( 6.378 -13.315 -0.016) 14.764 11.248 ( 0.883 -9.995 -3.026) 10.480 12.706 ( 1.717 0.034 2.880) 3.353 14.932 ( 6.764 -0.068 -3.343) 7.546 15.732 ( -1.566 -2.293 7.671) 8.158 25.457 ( 0.128 -0.492 -0.299) 0.590======================= Grid point 931 (443/488) =======================q-point: (-0.27 0.07 0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.438 ( 3.737 13.053 3.571) 14.039 2.976 ( 3.220 7.788 2.117) 8.689 3.371 ( -7.840 12.706 -3.659) 15.372 3.494 ( 4.366 16.353 3.428) 17.270 5.319 ( -4.760 18.124 7.131) 20.049 5.865 ( -15.038 18.949 -11.924) 26.971 6.491 ( 3.228 0.874 -0.790) 3.436 7.339 ( -3.606 2.687 -2.236) 5.023 8.443 ( -4.085 0.092 -3.462) 5.356 9.377 ( 8.834 -12.113 11.459) 18.870 9.846 ( -4.223 0.491 -3.477) 5.492 10.804 ( 1.642 -21.516 -6.695) 22.593 11.117 ( 8.386 -14.009 0.981) 16.356 11.436 ( 1.279 -11.516 -3.357) 12.064 12.725 ( 0.256 -0.559 3.473) 3.527 14.976 ( 7.545 3.374 -5.785) 10.088 15.740 ( -2.551 0.689 10.611) 10.935 25.468 ( 0.180 -0.672 -0.264) 0.744======================= Grid point 932 (444/488) =======================q-point: (-0.20 0.07 0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.262 ( 2.131 11.699 3.236) 12.324 2.872 ( 1.945 7.617 -3.172) 8.477 3.009 ( -8.770 19.717 2.854) 21.767 3.273 ( 2.796 14.844 1.662) 15.196 4.973 ( -2.402 21.049 13.576) 25.163 5.355 ( -14.230 20.975 -17.087) 30.568 6.516 ( 3.164 0.508 -1.532) 3.552 7.250 ( -3.919 2.916 -3.004) 5.735 8.514 ( -0.183 -12.310 -1.173) 12.367 9.634 ( 3.934 -6.572 8.517) 11.455 9.819 ( 1.250 -2.107 0.108) 2.453 11.229 ( 0.432 -28.180 -5.128) 28.646 11.436 ( 9.133 -13.394 -1.908) 16.324 11.647 ( 1.995 -13.173 -2.230) 13.509 12.738 ( -1.037 -0.888 3.549) 3.803 14.921 ( 5.205 11.286 -6.713) 14.126 15.684 ( -2.971 4.267 10.825) 12.009 25.481 ( 0.160 -0.780 -0.146) 0.809======================= Grid point 933 (445/488) =======================q-point: (-0.13 0.07 0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.115 ( 1.673 8.480 1.858) 8.841 2.568 ( -6.087 22.158 -4.965) 23.509 2.777 ( -0.427 5.555 4.101) 6.918 3.060 ( 1.495 13.603 1.456) 13.762 4.582 ( -1.996 26.215 13.322) 29.473 4.907 ( -7.889 15.064 -14.843) 22.571 6.519 ( 1.327 1.732 -1.254) 2.517 7.168 ( -2.574 2.156 -1.426) 3.648 8.837 ( 2.340 -24.049 -0.754) 24.174 9.657 ( -1.190 2.306 1.800) 3.158 9.994 ( 4.901 -12.073 4.065) 13.649 11.643 ( 2.508 -16.463 7.253) 18.164 11.707 ( 0.934 -13.858 -11.684) 18.150 11.988 ( 6.533 -24.993 -1.103) 25.856 12.743 ( -1.823 -0.971 2.655) 3.364 14.638 ( -0.593 25.798 -3.607) 26.055 15.585 ( -1.070 6.055 5.836) 8.478 25.495 ( 0.086 -0.771 -0.037) 0.776======================= Grid point 934 (446/488) =======================q-point: (-0.07 0.07 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 458Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.021 ( -0.000 4.413 -0.000) 4.413 2.166 ( 0.000 20.444 0.000) 20.444 2.714 ( 0.000 1.705 -0.000) 1.705 2.861 ( -0.000 11.038 0.000) 11.038 4.139 ( 0.000 24.828 -0.000) 24.828 4.659 ( -0.000 9.626 0.000) 9.626 6.489 ( -0.000 2.086 0.000) 2.086 7.133 ( -0.000 0.460 0.000) 0.460 9.263 ( -0.000 -21.972 0.000) 21.972 9.600 ( 0.000 3.418 0.000) 3.418 10.342 ( 0.000 -28.519 0.000) 28.519 11.829 ( 0.000 -6.487 0.000) 6.487 11.924 ( -0.000 -11.144 -0.000) 11.144 12.503 ( 0.000 -28.638 0.000) 28.638 12.743 ( -0.000 -0.324 0.000) 0.324 14.047 ( -0.000 42.693 0.000) 42.693 15.482 ( 0.000 6.182 0.000) 6.182 25.508 ( -0.000 -0.625 0.000) 0.625======================= Grid point 938 (447/488) =======================q-point: ( 0.13 0.13 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 488Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.008 ( 12.314 0.000 -7.860) 14.609 2.281 ( 13.485 0.000 21.705) 25.553 2.595 ( 2.298 0.000 -26.332) 26.433 2.997 ( 10.763 0.000 4.373) 11.617 4.097 ( 24.249 0.000 -17.040) 29.638 4.885 ( 12.269 0.000 18.552) 22.242 6.490 ( 1.080 0.000 3.470) 3.634 7.297 ( 7.710 0.000 -0.914) 7.763 9.268 ( -20.062 -0.000 -4.191) 20.495 9.547 ( -1.802 -0.000 1.555) 2.380 10.196 ( -22.084 -0.000 -19.332) 29.350 11.643 ( -8.976 -0.000 -1.781) 9.151 11.772 ( -8.151 -0.000 7.521) 11.091 12.117 ( -24.877 -0.000 -5.148) 25.404 13.052 ( -0.558 -0.000 0.913) 1.070 14.215 ( 28.592 0.000 -4.493) 28.942 15.326 ( 0.081 0.000 4.660) 4.661 25.509 ( -0.575 -0.000 0.036) 0.576======================= Grid point 939 (448/488) =======================q-point: ( 0.20 0.13 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.169 ( 14.440 -3.761 -4.983) 15.732 2.524 ( 15.837 -7.808 18.118) 25.299 2.622 ( 4.325 -3.380 -26.855) 27.410 3.096 ( 12.352 1.852 4.459) 13.262 4.421 ( 25.143 -9.947 -15.669) 31.251 5.083 ( 12.018 -6.237 18.026) 22.545 6.492 ( 0.434 1.450 2.924) 3.292 7.386 ( 9.077 -0.631 0.390) 9.107 8.966 ( -22.614 7.083 -6.648) 24.612 9.551 ( -2.962 -2.525 0.090) 3.894 9.939 ( -6.447 8.863 -17.996) 21.071 11.532 ( -13.962 2.511 1.843) 14.306 11.681 ( -13.483 -1.212 8.558) 16.015 11.844 ( -19.037 4.242 -6.161) 20.454 12.973 ( 0.803 7.453 0.558) 7.517 14.536 ( 15.739 -9.844 -4.080) 19.007 15.351 ( 0.489 -1.451 4.037) 4.317 25.500 ( -0.752 0.298 0.144) 0.822======================= Grid point 940 (449/488) =======================q-point: ( 0.27 0.13 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.387 ( 17.101 -3.392 -1.607) 17.508 2.711 ( 7.315 -4.406 -24.302) 25.759 2.886 ( 13.811 -14.210 13.170) 23.793 3.219 ( 14.162 -0.475 3.693) 14.643 4.825 ( 21.442 -11.419 -12.213) 27.191 5.381 ( 10.285 -13.293 15.904) 23.140 6.455 ( -0.342 3.129 0.072) 3.148 7.494 ( 9.214 -0.663 3.655) 9.935 8.654 ( -13.403 5.717 -7.909) 16.579 9.529 ( -7.052 1.104 -3.768) 8.071 9.759 ( 1.238 5.346 -11.697) 12.920 11.261 ( -21.404 7.957 6.131) 23.643 11.524 ( -17.189 3.840 0.344) 17.616 11.640 ( -6.158 4.367 2.288) 7.889 12.872 ( 2.336 6.134 0.022) 6.564 14.787 ( 5.090 -7.378 -0.084) 8.964 15.388 ( -1.062 -3.198 -1.646) 3.750 25.486 ( -0.827 0.454 0.302) 0.991======================= Grid point 941 (450/488) =======================q-point: ( 0.33 0.13 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.601 ( 17.915 -1.239 -3.026) 18.211 2.844 ( 10.551 -4.136 -16.326) 19.874 3.257 ( 8.630 -12.687 11.624) 19.249 3.425 ( 17.523 -5.750 0.538) 18.450 5.172 ( 15.382 -9.817 -6.363) 19.326 5.755 ( 6.555 -18.379 10.677) 22.243 6.401 ( 0.800 2.663 -3.207) 4.244 7.588 ( 8.183 0.853 5.518) 9.906 8.505 ( -4.855 0.471 -6.964) 8.502 9.366 ( -5.485 7.519 -5.729) 10.929 9.754 ( 1.174 -2.552 -6.120) 6.733 10.907 ( -20.211 9.598 6.030) 23.173 11.253 ( -12.358 10.179 -0.343) 16.014 11.513 ( -6.717 4.623 4.811) 9.468 12.818 ( 3.312 3.924 0.168) 5.137 14.884 ( -0.236 -1.699 3.746) 4.121 15.431 ( -3.751 -5.369 -6.766) 9.417 25.471 ( -0.787 0.448 0.437) 1.005======================= Grid point 942 (451/488) =======================q-point: ( 0.40 0.13 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.768 ( 15.389 0.381 -6.722) 16.797 3.006 ( 14.447 -1.740 -7.782) 16.502 3.506 ( 6.502 -7.866 10.763) 14.832 3.723 ( 17.173 -6.478 0.087) 18.355 5.453 ( 9.508 -10.090 -3.528) 14.306 6.111 ( -0.058 -17.852 5.667) 18.730 6.397 ( 4.006 -0.571 -4.010) 5.697 7.643 ( 6.858 2.471 5.052) 8.869 8.487 ( -2.555 -2.396 -4.662) 5.831 9.213 ( 0.327 6.309 -3.069) 7.024 9.812 ( -0.801 -4.753 -6.096) 7.772 10.576 ( -15.268 9.163 4.983) 18.491 10.954 ( -10.479 11.544 0.477) 15.598 11.360 ( -6.928 6.256 4.306) 10.280 12.799 ( 4.388 3.311 0.757) 5.549 14.877 ( -1.856 1.161 4.780) 5.258 15.467 ( -5.743 -5.898 -7.708) 11.277 25.458 ( -0.658 0.322 0.467) 0.869======================= Grid point 943 (452/488) =======================q-point: ( 0.47 0.13 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.880 ( 12.408 1.700 -7.430) 14.562 3.152 ( 15.391 1.675 -2.792) 15.732 3.694 ( 6.260 -5.180 10.168) 13.015 3.941 ( 15.775 0.305 0.413) 15.784 5.690 ( 4.781 -10.230 -3.828) 11.923 6.322 ( -3.956 -9.680 -0.252) 10.460 6.500 ( 2.618 -7.120 -0.138) 7.587 7.657 ( 4.726 3.609 4.282) 7.328 8.501 ( -2.686 -3.236 -1.531) 4.476 9.151 ( 4.990 4.974 -2.208) 7.383 9.858 ( -4.980 -4.485 -8.793) 11.056 10.340 ( -7.311 5.198 4.572) 10.068 10.682 ( -8.409 9.238 1.923) 12.639 11.188 ( -6.973 6.137 2.715) 9.678 12.792 ( 5.389 3.764 1.249) 6.691 14.844 ( -1.126 1.159 4.278) 4.574 15.494 ( -6.228 -5.775 -5.871) 10.325 25.449 ( -0.484 0.140 0.359) 0.619======================= Grid point 944 (453/488) =======================q-point: ( 0.53 0.13 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.940 ( 10.069 3.694 -5.107) 11.879 3.245 ( 14.150 4.561 -0.970) 14.898 3.812 ( 4.627 -0.228 8.059) 9.296 4.043 ( 15.462 5.721 1.315) 16.539 5.858 ( 0.738 -6.550 -3.434) 7.432 6.396 ( -3.422 -4.553 -2.572) 6.249 6.614 ( -4.065 -6.119 0.904) 7.402 7.626 ( 1.718 4.603 4.102) 6.400 8.557 ( -0.254 -5.750 2.235) 6.174 9.094 ( 3.973 7.947 -3.856) 9.686 9.816 ( -10.410 -2.012 -12.122) 16.105 10.297 ( 0.712 -2.783 3.528) 4.550 10.506 ( -4.148 4.600 4.734) 7.796 11.044 ( -6.241 2.739 0.261) 6.821 12.783 ( 5.582 4.198 1.592) 7.163 14.842 ( 1.538 -0.291 2.999) 3.383 15.525 ( -5.713 -6.042 -2.751) 8.759 25.444 ( -0.303 -0.052 0.155) 0.344======================= Grid point 945 (454/488) =======================q-point: (-0.40 0.13 0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.942 ( 8.140 6.662 -1.031) 10.569 3.283 ( 12.948 6.943 -1.648) 14.784 3.804 ( 1.185 5.523 3.666) 6.734 4.073 ( 14.184 9.167 3.833) 17.318 5.896 ( -2.566 0.716 -1.153) 2.902 6.397 ( -5.674 -1.217 -4.263) 7.200 6.616 ( -6.198 -0.614 0.345) 6.237 7.555 ( -0.644 5.003 3.624) 6.211 8.691 ( 1.361 -7.736 5.174) 9.406 8.951 ( 1.957 10.599 -4.413) 11.647 9.729 ( -11.158 -3.826 -13.733) 18.103 10.408 ( -1.092 -7.411 -2.777) 7.989 10.461 ( 4.259 0.285 10.983) 11.783 10.996 ( -4.248 -3.800 -2.391) 6.181 12.769 ( 4.599 3.815 1.936) 6.281 14.895 ( 5.074 -1.631 1.010) 5.424 15.575 ( -4.990 -6.506 0.839) 8.242 25.445 ( -0.141 -0.240 -0.055) 0.284======================= Grid point 946 (455/488) =======================q-point: (-0.33 0.13 0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.874 ( 6.429 10.533 2.853) 12.666 3.268 ( 11.813 9.303 -3.713) 15.488 3.677 ( -2.908 8.522 1.031) 9.063 4.017 ( 10.497 13.567 4.885) 17.836 5.785 ( -3.545 8.477 1.824) 9.368 6.281 ( -11.315 5.073 -6.878) 14.180 6.551 ( -1.872 2.092 0.249) 2.818 7.465 ( -1.636 4.841 2.208) 5.566 8.652 ( -5.261 9.178 -4.990) 11.697 8.991 ( 8.714 -8.606 9.518) 15.511 9.698 ( -10.287 -7.386 -14.106) 18.957 10.449 ( 0.430 -2.359 2.289) 3.315 10.654 ( 5.478 -12.003 3.633) 13.685 11.074 ( -2.112 -9.327 -3.566) 10.206 12.755 ( 2.834 2.703 2.227) 4.505 14.990 ( 7.793 -1.624 -1.416) 8.085 15.638 ( -4.591 -6.154 4.207) 8.755 25.449 ( -0.016 -0.428 -0.179) 0.464======================= Grid point 947 (456/488) =======================q-point: (-0.27 0.13 0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.728 ( 4.659 14.096 4.428) 15.492 3.197 ( 9.551 11.437 -5.548) 15.900 3.478 ( -6.307 9.922 1.250) 11.823 3.842 ( 5.931 17.788 4.031) 19.179 5.571 ( -1.218 14.258 5.096) 15.190 5.983 ( -13.414 13.899 -9.077) 21.343 6.527 ( 1.329 0.669 -0.154) 1.496 7.371 ( -1.816 4.493 0.268) 4.854 8.451 ( -4.301 6.687 -4.082) 8.937 9.280 ( 9.339 -12.127 12.309) 19.642 9.713 ( -8.554 -7.347 -11.540) 16.134 10.547 ( 0.485 -9.570 -0.796) 9.616 10.947 ( 6.148 -15.419 2.557) 16.795 11.230 ( -1.646 -11.689 -3.600) 12.341 12.742 ( 1.033 1.486 2.222) 2.865 15.083 ( 8.363 0.281 -3.536) 9.084 15.687 ( -4.431 -4.017 6.407) 8.765 25.458 ( 0.054 -0.604 -0.181) 0.633======================= Grid point 948 (457/488) =======================q-point: (-0.20 0.13 0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.522 ( 2.481 15.102 3.045) 15.605 3.067 ( 5.490 11.954 -6.222) 14.552 3.221 ( -6.356 14.019 3.706) 15.832 3.580 ( 2.467 18.313 1.828) 18.568 5.322 ( 3.058 17.615 9.585) 20.285 5.551 ( -11.604 20.590 -11.679) 26.363 6.542 ( 1.621 -0.228 -0.450) 1.698 7.280 ( -1.573 4.290 -0.889) 4.655 8.375 ( -1.659 -2.512 -1.461) 3.346 9.572 ( 7.220 -9.251 10.294) 15.610 9.734 ( -5.369 -5.834 -7.395) 10.842 10.797 ( -0.266 -21.070 -2.533) 21.223 11.281 ( 6.971 -15.906 2.321) 17.521 11.407 ( -3.202 -12.997 -3.321) 13.792 12.732 ( -0.104 0.531 1.602) 1.691 15.111 ( 5.467 5.162 -3.624) 8.347 15.694 ( -3.132 -0.414 5.555) 6.390 25.469 ( 0.056 -0.741 -0.095) 0.749======================= Grid point 949 (458/488) =======================q-point: (-0.13 0.13 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 458Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.302 ( -0.000 12.651 0.000) 12.651 2.898 ( -0.000 20.466 0.000) 20.466 2.908 ( 0.000 9.632 -0.000) 9.632 3.311 ( 0.000 15.557 0.000) 15.557 5.048 ( -0.000 27.094 -0.000) 27.094 5.098 ( 0.000 15.726 0.000) 15.726 6.549 ( -0.000 0.762 0.000) 0.762 7.203 ( -0.000 3.617 0.000) 3.617 8.511 ( -0.000 -14.829 0.000) 14.829 9.675 ( 0.000 -0.078 0.000) 0.078 9.846 ( -0.000 -9.586 -0.000) 9.586 11.220 ( 0.000 -28.770 0.000) 28.770 11.545 ( -0.000 -9.980 -0.000) 9.980 11.649 ( 0.000 -19.547 0.000) 19.547 12.729 ( 0.000 -0.138 0.000) 0.138 14.978 ( -0.000 14.475 0.000) 14.475 15.659 ( 0.000 3.129 0.000) 3.129 25.483 ( -0.000 -0.804 0.000) 0.804======================= Grid point 955 (459/488) =======================q-point: ( 0.20 0.20 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 488Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.268 ( 15.288 0.000 -7.610) 17.077 2.600 ( 7.194 0.000 -12.358) 14.300 2.691 ( 19.688 0.000 6.443) 20.715 3.241 ( 11.908 0.000 4.580) 12.758 4.591 ( 28.302 0.000 -14.598) 31.845 5.170 ( 10.802 0.000 15.881) 19.207 6.520 ( 1.160 0.000 2.433) 2.695 7.477 ( 10.384 0.000 -1.197) 10.453 8.767 ( -22.751 -0.000 -11.131) 25.328 9.508 ( -2.656 -0.000 1.983) 3.314 9.939 ( -3.539 -0.000 -17.139) 17.500 11.432 ( -11.339 -0.000 -2.246) 11.559 11.454 ( -27.180 -0.000 7.671) 28.242 11.748 ( -8.010 -0.000 -0.822) 8.052 13.037 ( -1.213 -0.000 1.077) 1.622 14.566 ( 9.038 0.000 -8.863) 12.658 15.372 ( 2.145 0.000 10.465) 10.682 25.494 ( -0.951 -0.000 0.231) 0.978======================= Grid point 956 (460/488) =======================q-point: ( 0.27 0.20 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.466 ( 16.071 -5.458 -6.741) 18.262 2.690 ( 9.518 -3.958 -20.612) 23.046 2.939 ( 20.080 -3.104 15.009) 25.261 3.363 ( 12.784 0.063 4.266) 13.477 4.905 ( 26.329 -5.719 -12.827) 29.841 5.334 ( 7.996 -5.783 14.440) 17.490 6.513 ( 1.526 2.661 -0.584) 3.122 7.588 ( 10.815 -0.416 0.318) 10.828 8.545 ( -14.860 0.957 -11.502) 18.816 9.482 ( -3.818 0.208 0.852) 3.917 9.842 ( -0.906 5.224 -13.832) 14.813 11.144 ( -24.405 4.602 5.856) 25.516 11.349 ( -14.302 -2.925 -1.450) 14.670 11.653 ( -6.050 3.312 2.811) 7.448 12.983 ( -0.022 4.546 1.045) 4.664 14.674 ( 0.958 -7.257 -8.322) 11.084 15.394 ( 1.223 1.406 9.426) 9.608 25.483 ( -1.038 0.216 0.365) 1.121======================= Grid point 957 (461/488) =======================q-point: ( 0.33 0.20 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.696 ( 13.541 -4.179 -11.280) 18.112 2.890 ( 16.630 -7.555 -12.055) 21.885 3.207 ( 13.510 -5.510 13.386) 19.800 3.536 ( 16.627 -3.354 3.287) 17.278 5.223 ( 20.719 -4.867 -8.555) 22.938 5.561 ( 3.680 -12.273 11.078) 16.938 6.472 ( 3.064 3.898 -4.633) 6.786 7.696 ( 9.882 0.523 3.057) 10.357 8.427 ( -6.554 -1.255 -9.873) 11.916 9.407 ( -4.176 3.827 -1.697) 5.914 9.757 ( 0.804 2.368 -8.130) 8.506 10.837 ( -20.585 6.041 5.975) 22.270 11.218 ( -13.721 2.058 -1.657) 13.973 11.528 ( -6.540 4.581 4.295) 9.067 12.921 ( 2.374 4.043 1.290) 4.863 14.774 ( -4.637 -7.628 -5.120) 10.291 15.378 ( -0.900 1.503 4.816) 5.125 25.469 ( -0.996 0.293 0.485) 1.146======================= Grid point 958 (462/488) =======================q-point: ( 0.40 0.20 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.850 ( 10.539 -2.513 -13.557) 17.355 3.187 ( 23.759 -2.512 -3.143) 24.097 3.425 ( 5.070 -8.968 10.727) 14.873 3.814 ( 20.159 -6.294 1.639) 21.182 5.449 ( 13.129 -3.297 -3.032) 13.872 5.827 ( -0.881 -15.790 5.239) 16.659 6.451 ( 5.165 2.308 -6.585) 8.681 7.767 ( 8.105 2.539 4.393) 9.562 8.408 ( -2.829 -2.732 -7.356) 8.341 9.303 ( 0.131 4.598 -1.796) 4.938 9.749 ( -0.250 -1.317 -5.084) 5.257 10.556 ( -15.389 6.644 5.150) 17.536 11.002 ( -12.126 7.638 -1.411) 14.401 11.382 ( -7.962 4.982 4.132) 10.260 12.902 ( 4.642 2.872 1.782) 5.743 14.817 ( -6.251 -4.780 -0.830) 7.913 15.350 ( -3.531 -0.678 -0.272) 3.606 25.455 ( -0.848 0.242 0.520) 1.024======================= Grid point 959 (463/488) =======================q-point: ( 0.47 0.20 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.961 ( 8.874 -1.311 -11.414) 14.517 3.379 ( 16.190 3.041 2.288) 16.631 3.678 ( 12.030 -8.892 7.876) 16.906 4.103 ( 19.577 -3.237 0.277) 19.844 5.609 ( 6.828 -4.966 -2.315) 8.754 6.055 ( -5.706 -14.469 2.079) 15.692 6.481 ( 4.885 -0.521 -5.711) 7.533 7.784 ( 5.544 4.478 4.872) 8.632 8.423 ( -2.091 -2.957 -4.293) 5.616 9.267 ( 5.078 3.162 -1.548) 6.179 9.753 ( -3.892 -1.566 -5.323) 6.777 10.345 ( -8.166 4.420 3.906) 10.073 10.742 ( -10.171 9.077 -0.430) 13.639 11.213 ( -8.846 5.710 2.971) 10.940 12.914 ( 6.316 3.035 2.025) 7.294 14.820 ( -4.458 -2.488 2.480) 5.676 15.336 ( -5.866 -3.640 -3.255) 7.633 25.446 ( -0.640 0.115 0.434) 0.782======================= Grid point 960 (464/488) =======================q-point: ( 0.53 0.20 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.038 ( 7.304 0.285 -7.663) 10.590 3.453 ( 8.965 2.859 2.279) 9.681 3.925 ( 17.443 -0.327 7.169) 18.862 4.294 ( 17.951 2.986 0.619) 18.208 5.748 ( 1.891 -6.613 -3.421) 7.682 6.194 ( -9.280 -11.081 0.346) 14.458 6.533 ( 1.840 -1.896 -3.664) 4.517 7.742 ( 2.214 5.963 5.304) 8.282 8.470 ( 0.082 -4.924 -0.827) 4.993 9.254 ( 5.519 5.861 -2.710) 8.495 9.689 ( -8.701 0.338 -7.719) 11.636 10.274 ( -0.926 -0.231 2.447) 2.626 10.534 ( -6.375 4.815 2.059) 8.250 11.036 ( -8.640 4.867 1.211) 9.990 12.922 ( 6.614 4.369 1.879) 8.147 14.836 ( -0.375 -2.382 3.590) 4.325 15.347 ( -7.187 -6.088 -3.357) 10.000 25.440 ( -0.423 -0.038 0.258) 0.497======================= Grid point 961 (465/488) =======================q-point: ( 0.60 0.20 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.074 ( 5.650 2.471 -2.914) 6.820 3.481 ( 6.018 2.822 -0.786) 6.692 4.022 ( 15.551 10.064 5.148) 19.226 4.372 ( 15.367 7.696 2.860) 17.423 5.841 ( -1.237 -4.255 -2.563) 5.119 6.239 ( -11.535 -7.022 -1.910) 13.639 6.560 ( -0.599 -1.011 -1.752) 2.109 7.653 ( -0.253 6.426 4.826) 8.040 8.592 ( 2.691 -7.581 2.811) 8.521 9.149 ( 2.753 10.874 -3.463) 11.739 9.571 ( -10.291 0.138 -10.226) 14.508 10.298 ( -1.117 -3.347 -1.249) 3.743 10.496 ( 1.748 -1.818 7.361) 7.781 10.904 ( -7.368 0.516 -1.621) 7.562 12.901 ( 5.228 5.473 1.634) 7.743 14.908 ( 4.555 -3.173 2.609) 6.133 15.386 ( -7.639 -7.972 -1.461) 11.137 25.439 ( -0.233 -0.193 0.068) 0.310======================= Grid point 962 (466/488) =======================q-point: (-0.33 0.20 0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.056 ( 3.888 5.503 1.206) 6.845 3.478 ( 4.841 3.676 -4.573) 7.606 3.920 ( 9.230 17.255 3.479) 19.875 4.346 ( 10.488 12.002 4.072) 16.450 5.848 ( -1.083 1.777 0.315) 2.104 6.188 ( -12.175 -1.473 -4.424) 13.037 6.555 ( -0.666 0.420 -0.484) 0.924 7.547 ( -0.967 6.018 3.093) 6.835 8.714 ( -0.046 0.295 1.333) 1.366 9.020 ( 5.368 3.319 2.685) 6.859 9.476 ( -10.168 -3.398 -12.135) 16.193 10.367 ( -1.384 -6.355 -1.877) 6.769 10.593 ( 5.270 -3.426 8.699) 10.733 10.893 ( -4.910 -7.352 -4.305) 9.833 12.854 ( 3.032 5.200 1.399) 6.180 15.027 ( 7.518 -2.991 0.326) 8.098 15.454 ( -7.042 -9.082 1.174) 11.552 25.442 ( -0.092 -0.349 -0.056) 0.365======================= Grid point 963 (467/488) =======================q-point: (-0.27 0.20 0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.965 ( 2.079 9.524 2.412) 10.042 3.441 ( 4.522 5.637 -6.714) 9.864 3.668 ( 1.254 19.124 4.143) 19.608 4.188 ( 4.481 16.391 2.585) 17.188 5.767 ( 1.240 8.255 2.760) 8.792 6.030 ( -9.407 6.569 -5.107) 12.559 6.542 ( 0.144 0.469 -0.061) 0.494 7.445 ( -0.683 5.555 1.080) 5.700 8.563 ( -2.204 10.803 -2.136) 11.230 9.202 ( 9.009 -10.419 11.389) 17.872 9.456 ( -9.586 -8.134 -13.062) 18.130 10.449 ( -0.230 -4.506 0.032) 4.512 10.762 ( 3.340 -11.408 3.487) 12.388 11.017 ( -2.016 -11.212 -2.864) 11.746 12.800 ( 1.079 3.819 0.950) 4.080 15.138 ( 5.824 -1.799 -1.315) 6.236 15.545 ( -4.364 -8.177 2.464) 9.591 25.448 ( -0.011 -0.505 -0.072) 0.510======================= Grid point 964 (468/488) =======================q-point: (-0.20 0.20 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 458Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.784 ( 0.000 13.732 0.000) 13.732 3.351 ( -0.000 17.614 0.000) 17.614 3.361 ( 0.000 7.734 -0.000) 7.734 3.912 ( 0.000 19.127 0.000) 19.127 5.603 ( -0.000 12.932 -0.000) 12.932 5.786 ( 0.000 15.533 0.000) 15.533 6.543 ( -0.000 -0.302 0.000) 0.302 7.353 ( -0.000 5.169 0.000) 5.169 8.399 ( 0.000 6.309 0.000) 6.309 9.490 ( 0.000 -12.340 0.000) 12.340 9.512 ( -0.000 -9.063 -0.000) 9.063 10.548 ( 0.000 -9.107 0.000) 9.107 11.030 ( -0.000 -17.346 -0.000) 17.346 11.192 ( 0.000 -11.120 0.000) 11.120 12.756 ( 0.000 2.121 0.000) 2.121 15.181 ( -0.000 0.452 0.000) 0.452 15.636 ( 0.000 -4.812 0.000) 4.812 25.458 ( -0.000 -0.643 0.000) 0.643======================= Grid point 972 (469/488) =======================q-point: ( 0.27 0.27 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 488Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.561 ( 15.478 0.000 -6.257) 16.695 2.736 ( 11.867 0.000 -19.391) 22.734 3.154 ( 21.336 0.000 15.116) 26.148 3.483 ( 10.825 0.000 4.233) 11.623 5.110 ( 26.157 0.000 -11.283) 28.487 5.380 ( 6.406 0.000 11.591) 13.244 6.557 ( 2.869 0.000 -2.499) 3.804 7.697 ( 11.687 0.000 -1.233) 11.752 8.404 ( -10.035 -0.000 -11.553) 15.302 9.452 ( -3.410 -0.000 1.989) 3.948 9.855 ( -1.640 -0.000 -12.778) 12.883 10.948 ( -22.868 -0.000 6.608) 23.803 11.190 ( -11.865 -0.000 -2.323) 12.090 11.625 ( -6.296 -0.000 3.799) 7.353 13.010 ( -1.731 -0.000 1.056) 2.028 14.592 ( -2.198 -0.000 -9.522) 9.772 15.433 ( 0.135 0.000 11.654) 11.655 25.474 ( -1.146 -0.000 0.465) 1.237======================= Grid point 973 (470/488) =======================q-point: ( 0.33 0.27 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.746 ( 13.787 -3.897 -9.114) 16.980 2.889 ( 14.641 -6.674 -13.574) 21.051 3.364 ( 16.730 1.385 13.608) 21.610 3.629 ( 12.791 -4.029 4.530) 14.155 5.370 ( 21.150 -3.687 -8.853) 23.223 5.478 ( 4.998 -2.776 8.878) 10.559 6.562 ( 4.373 2.794 -5.552) 7.599 7.811 ( 11.156 0.324 0.046) 11.161 8.330 ( -4.188 -1.493 -9.657) 10.631 9.410 ( -3.521 1.279 1.082) 3.899 9.796 ( -0.709 2.875 -9.222) 9.685 10.728 ( -17.346 3.051 6.861) 18.901 11.084 ( -11.925 -1.173 -2.242) 12.190 11.534 ( -7.399 3.335 3.983) 9.040 12.980 ( -0.474 1.499 1.216) 1.988 14.592 ( -5.567 -5.470 -8.080) 11.234 15.419 ( -1.640 2.427 9.644) 10.079 25.462 ( -1.120 0.120 0.552) 1.254======================= Grid point 974 (471/488) =======================q-point: ( 0.40 0.27 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.901 ( 11.498 -1.961 -13.506) 17.846 3.225 ( 16.383 -14.781 -4.531) 22.526 3.472 ( 10.088 2.665 9.786) 14.305 3.891 ( 16.626 -7.875 5.297) 19.144 5.579 ( 10.820 0.499 1.937) 11.003 5.616 ( 6.214 -9.074 -1.813) 11.146 6.548 ( 5.629 3.532 -7.471) 9.999 7.897 ( 9.211 2.074 1.907) 9.632 8.330 ( -1.311 -2.528 -7.312) 7.847 9.355 ( -0.810 1.966 -0.021) 2.126 9.743 ( -0.488 1.526 -5.304) 5.540 10.523 ( -11.564 5.140 6.183) 14.085 10.961 ( -11.253 2.213 -2.396) 11.716 11.385 ( -9.127 4.909 3.576) 10.963 12.972 ( 2.319 0.644 1.784) 2.996 14.625 ( -7.767 -7.401 -5.572) 12.089 15.355 ( -3.083 3.360 6.148) 7.655 25.450 ( -0.967 0.127 0.565) 1.128======================= Grid point 975 (472/488) =======================q-point: ( 0.47 0.27 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.015 ( 9.802 -1.134 -12.367) 15.821 3.497 ( 0.935 -0.946 10.644) 10.727 3.678 ( 23.110 -12.370 -3.406) 26.433 4.201 ( 16.657 -7.706 3.893) 18.761 5.661 ( 7.209 0.555 1.489) 7.382 5.798 ( -0.744 -9.392 -1.520) 9.543 6.544 ( 5.477 2.422 -7.398) 9.518 7.924 ( 6.167 4.516 3.391) 8.362 8.352 ( -1.149 -2.543 -5.059) 5.778 9.347 ( 4.010 0.885 -0.751) 4.175 9.708 ( -2.865 0.629 -3.008) 4.202 10.356 ( -5.209 5.052 4.215) 8.392 10.775 ( -9.753 6.806 -1.797) 12.028 11.208 ( -10.359 4.903 2.532) 11.737 13.006 ( 4.896 0.419 2.163) 5.369 14.667 ( -7.400 -7.659 -2.310) 10.897 15.276 ( -4.274 2.123 2.450) 5.364 25.441 ( -0.731 0.052 0.475) 0.873======================= Grid point 976 (473/488) =======================q-point: ( 0.53 0.27 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.101 ( 7.889 -0.202 -9.328) 12.219 3.513 ( -0.546 -0.029 7.608) 7.628 4.095 ( 23.605 -7.980 0.561) 24.923 4.463 ( 15.107 -3.606 1.939) 15.652 5.711 ( 3.750 -0.097 -1.007) 3.884 5.910 ( -8.688 -10.077 0.136) 13.306 6.554 ( 4.020 1.137 -5.883) 7.216 7.878 ( 2.450 6.698 4.683) 8.531 8.391 ( -0.146 -4.133 -2.922) 5.064 9.379 ( 5.918 2.300 -2.178) 6.712 9.636 ( -5.885 2.533 -2.511) 6.881 10.281 ( 0.560 1.574 1.936) 2.557 10.562 ( -7.502 7.020 -0.008) 10.274 11.027 ( -9.864 4.782 1.217) 11.030 13.045 ( 5.824 2.119 1.900) 6.482 14.735 ( -3.899 -7.849 0.864) 8.807 15.216 ( -5.447 -0.778 -0.498) 5.524 25.435 ( -0.472 -0.054 0.309) 0.567======================= Grid point 977 (474/488) =======================q-point: ( 0.60 0.27 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.151 ( 5.478 1.102 -4.852) 7.400 3.516 ( -0.950 -0.377 3.606) 3.749 4.361 ( 20.709 4.506 2.197) 21.307 4.611 ( 12.188 2.843 1.598) 12.617 5.753 ( -0.041 -3.730 -2.438) 4.456 5.966 ( -12.367 -9.526 0.331) 15.614 6.564 ( 2.109 0.703 -3.571) 4.207 7.774 ( -0.098 7.566 4.411) 8.758 8.492 ( 1.749 -7.389 -0.304) 7.599 9.343 ( 3.919 8.228 -2.484) 9.446 9.509 ( -6.829 3.912 -4.331) 8.983 10.278 ( 0.221 1.436 -0.491) 1.533 10.464 ( -0.976 -2.401 3.314) 4.207 10.865 ( -7.824 3.806 -0.259) 8.704 13.043 ( 4.482 4.862 1.275) 6.734 14.862 ( 2.126 -8.179 2.547) 8.826 15.193 ( -7.023 -4.203 -1.861) 8.393 25.434 ( -0.249 -0.161 0.132) 0.324======================= Grid point 978 (475/488) =======================q-point: (-0.33 0.27 0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.156 ( 2.613 2.898 -0.816) 3.987 3.516 ( -0.254 0.067 -0.056) 0.269 4.337 ( 10.680 17.174 0.886) 20.243 4.613 ( 6.544 8.605 2.280) 11.049 5.832 ( 2.172 -3.924 -0.915) 4.577 5.986 ( -11.185 -7.386 -1.066) 13.446 6.562 ( 0.555 0.738 -1.238) 1.544 7.651 ( -0.567 7.035 2.312) 7.427 8.654 ( 2.015 -8.381 1.527) 8.755 9.192 ( 1.994 11.348 -0.517) 11.534 9.379 ( -5.696 2.849 -5.286) 8.276 10.271 ( -0.756 -2.621 -0.924) 2.880 10.588 ( 4.686 -6.959 5.649) 10.114 10.754 ( -6.369 0.289 -3.348) 7.201 12.981 ( 2.054 6.360 0.667) 6.717 15.039 ( 7.625 -5.493 1.839) 9.576 15.215 ( -8.723 -8.973 -1.243) 12.576 25.436 ( -0.088 -0.270 0.017) 0.284======================= Grid point 979 (476/488) =======================q-point: (-0.27 0.27 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 458Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.100 ( 0.000 5.539 0.000) 5.539 3.503 ( -0.000 1.620 0.000) 1.620 4.050 ( -0.000 22.221 0.000) 22.221 4.463 ( 0.000 13.242 0.000) 13.242 5.867 ( -0.000 2.294 0.000) 2.294 6.008 ( 0.000 -2.337 0.000) 2.337 6.552 ( 0.000 0.625 0.000) 0.625 7.540 ( 0.000 6.173 0.000) 6.173 8.712 ( 0.000 5.379 0.000) 5.379 9.122 ( 0.000 -3.939 0.000) 3.939 9.315 ( -0.000 -0.583 -0.000) 0.583 10.350 ( -0.000 -6.617 0.000) 6.617 10.683 ( -0.000 -1.056 -0.000) 1.056 10.811 ( 0.000 -11.536 0.000) 11.536 12.888 ( 0.000 5.754 0.000) 5.754 15.138 ( -0.000 -1.920 0.000) 1.920 15.352 ( 0.000 -11.729 0.000) 11.729 25.441 ( -0.000 -0.387 0.000) 0.387======================= Grid point 989 (477/488) =======================q-point: ( 0.33 0.33 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 488Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.837 ( 13.214 0.000 -4.664) 14.012 2.962 ( 15.022 0.000 -15.704) 21.732 3.570 ( 14.799 0.000 14.484) 20.708 3.687 ( 8.360 0.000 3.574) 9.092 5.440 ( 5.340 0.000 3.529) 6.401 5.620 ( 19.965 0.000 -5.202) 20.631 6.625 ( 4.869 0.000 -6.611) 8.211 7.927 ( 11.257 0.000 -0.970) 11.299 8.282 ( -0.543 -0.000 -7.582) 7.602 9.383 ( -3.901 -0.000 1.525) 4.189 9.799 ( -1.022 -0.000 -8.262) 8.325 10.619 ( -11.451 -0.000 7.678) 13.786 10.958 ( -10.442 -0.000 -1.970) 10.627 11.488 ( -8.847 -0.000 3.303) 9.444 12.976 ( -1.827 -0.000 0.882) 2.029 14.480 ( -5.694 -0.000 -7.443) 9.371 15.430 ( -3.173 -0.000 9.512) 10.027 25.452 ( -1.115 -0.000 0.599) 1.266======================= Grid point 990 (478/488) =======================q-point: ( 0.40 0.33 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.974 ( 11.430 -1.643 -8.487) 14.331 3.163 ( 14.803 -8.512 -8.529) 19.088 3.633 ( 7.311 4.413 9.080) 12.465 3.886 ( 9.832 -9.504 7.120) 15.417 5.519 ( 3.195 -3.491 3.327) 5.785 5.792 ( 18.015 2.053 -5.386) 18.915 6.643 ( 4.834 2.336 -7.252) 9.023 8.022 ( 9.664 1.395 -0.248) 9.767 8.290 ( 1.258 -1.083 -5.276) 5.531 9.350 ( -2.751 -0.360 0.950) 2.932 9.761 ( -1.013 1.984 -5.871) 6.279 10.520 ( -4.924 3.278 7.410) 9.481 10.865 ( -9.194 -0.450 -1.936) 9.406 11.363 ( -10.761 3.509 2.376) 11.566 12.973 ( -0.504 -1.439 1.092) 1.875 14.447 ( -6.332 -3.972 -5.888) 9.515 15.383 ( -3.943 2.571 7.427) 8.793 25.442 ( -0.971 0.031 0.575) 1.129======================= Grid point 991 (479/488) =======================q-point: ( 0.47 0.33 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.086 ( 9.997 -0.634 -10.870) 14.782 3.446 ( 5.072 -7.923 4.930) 10.621 3.702 ( 11.938 -5.791 -0.888) 13.298 4.172 ( 8.701 -12.050 6.819) 16.352 5.616 ( 1.396 -4.532 2.406) 5.318 5.881 ( 12.200 4.954 -3.847) 13.718 6.633 ( 4.358 2.996 -6.800) 8.614 8.062 ( 6.572 3.920 0.779) 7.692 8.312 ( 0.492 -0.959 -3.338) 3.508 9.362 ( 1.039 -2.291 0.291) 2.533 9.702 ( -2.492 2.256 -3.124) 4.590 10.433 ( 1.074 5.813 5.203) 7.875 10.764 ( -7.557 2.690 -1.754) 8.211 11.178 ( -12.084 4.593 1.473) 13.011 13.021 ( 1.967 -2.957 1.562) 3.880 14.464 ( -6.375 -6.664 -3.907) 10.016 15.296 ( -3.936 3.856 4.689) 7.235 25.434 ( -0.719 -0.013 0.461) 0.854======================= Grid point 992 (480/488) =======================q-point: ( 0.53 0.33 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.167 ( 7.840 0.085 -9.264) 12.136 3.499 ( -2.728 -0.392 8.739) 9.164 4.077 ( 16.396 -17.277 -4.181) 24.182 4.460 ( 7.310 -11.261 5.242) 14.413 5.694 ( -1.613 -4.515 1.831) 5.132 5.858 ( 4.828 7.249 -2.645) 9.102 6.618 ( 3.487 2.464 -5.173) 6.707 8.022 ( 2.764 6.691 2.282) 7.590 8.331 ( -0.108 -2.130 -2.422) 3.227 9.433 ( 4.322 -2.075 -1.149) 4.930 9.626 ( -4.286 2.449 -0.499) 4.961 10.368 ( 4.732 5.764 1.749) 7.660 10.611 ( -6.377 6.910 -0.266) 9.406 10.996 ( -10.404 3.451 0.527) 10.974 13.097 ( 3.394 -2.010 1.480) 4.214 14.536 ( -4.676 -9.303 -1.626) 10.538 15.201 ( -3.398 3.344 2.026) 5.180 25.430 ( -0.429 -0.086 0.286) 0.522======================= Grid point 993 (481/488) =======================q-point: ( 0.60 0.33 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.211 ( 4.249 0.912 -4.686) 6.391 3.490 ( -2.205 -0.948 4.385) 4.999 4.482 ( 12.427 -11.761 -1.692) 17.193 4.679 ( 5.076 -6.050 2.826) 8.388 5.740 ( -4.529 -4.846 1.461) 6.792 5.762 ( -0.208 4.835 -2.111) 5.280 6.604 ( 1.856 1.896 -2.623) 3.730 7.912 ( 0.296 8.239 2.227) 8.540 8.391 ( 0.356 -5.458 -1.129) 5.584 9.470 ( 3.701 3.101 -3.156) 5.768 9.534 ( -3.794 3.996 1.421) 5.691 10.343 ( 4.200 3.954 -0.769) 5.819 10.446 ( -4.396 3.798 1.620) 6.031 10.860 ( -5.533 3.390 -0.017) 6.489 13.136 ( 2.419 1.540 0.768) 2.969 14.683 ( -1.309 -12.231 0.155) 12.302 15.130 ( -2.521 1.641 0.141) 3.011 25.429 ( -0.175 -0.150 0.112) 0.256======================= Grid point 994 (482/488) =======================q-point: ( 0.67 0.33 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 458Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.207 ( -0.000 1.706 0.000) 1.706 3.501 ( -0.000 -1.186 0.000) 1.186 4.607 ( -0.000 5.840 0.000) 5.840 4.742 ( -0.000 2.151 0.000) 2.151 5.769 ( 0.000 -6.068 -0.000) 6.068 5.787 ( -0.000 -5.135 0.000) 5.135 6.584 ( -0.000 1.448 0.000) 1.448 7.776 ( -0.000 8.080 0.000) 8.080 8.513 ( -0.000 -8.752 0.000) 8.752 9.394 ( -0.000 10.283 0.000) 10.283 9.417 ( 0.000 4.695 0.000) 4.695 10.276 ( -0.000 3.587 0.000) 3.587 10.477 ( 0.000 -6.950 0.000) 6.950 10.771 ( -0.000 3.955 0.000) 3.955 13.091 ( -0.000 5.130 0.000) 5.130 14.905 ( -0.000 -14.211 0.000) 14.211 15.100 ( -0.000 0.130 0.000) 0.130 25.431 ( -0.000 -0.205 0.000) 0.205======================= Grid point 1006 (483/488) =======================q-point: ( 0.40 0.40 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 488Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.051 ( 8.923 0.000 -2.961) 9.401 3.235 ( 15.786 0.000 -12.978) 20.436 3.776 ( 1.452 0.000 13.861) 13.936 3.832 ( 5.177 0.000 2.499) 5.748 5.544 ( 5.544 0.000 1.663) 5.788 5.976 ( 15.484 0.000 -4.292) 16.068 6.694 ( 3.373 0.000 -6.494) 7.318 8.128 ( 8.668 0.000 -0.516) 8.684 8.299 ( 2.841 0.000 -3.330) 4.377 9.309 ( -3.618 -0.000 0.788) 3.703 9.759 ( -1.531 -0.000 -5.200) 5.420 10.546 ( 2.155 0.000 7.733) 8.028 10.774 ( -7.170 -0.000 -1.265) 7.281 11.280 ( -12.454 -0.000 0.864) 12.484 12.945 ( -1.393 -0.000 0.586) 1.511 14.352 ( -4.930 -0.000 -4.657) 6.782 15.374 ( -4.057 -0.000 6.267) 7.465 25.434 ( -0.834 -0.000 0.513) 0.979======================= Grid point 1007 (484/488) =======================q-point: ( 0.47 0.40 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.145 ( 6.942 -1.829 -4.860) 8.669 3.414 ( 11.800 -4.597 -6.236) 14.116 3.728 ( 0.367 1.103 5.989) 6.100 4.018 ( 1.907 -12.363 5.739) 13.763 5.610 ( 4.695 -1.015 0.871) 4.882 6.073 ( 10.577 3.835 -2.665) 11.562 6.698 ( 2.222 1.669 -5.074) 5.785 8.181 ( 5.941 2.616 -0.484) 6.509 8.320 ( 1.944 0.494 -1.477) 2.491 9.306 ( -1.715 -3.252 0.465) 3.706 9.716 ( -2.027 2.218 -3.180) 4.375 10.570 ( 7.152 4.279 5.695) 10.095 10.719 ( -4.525 -0.247 -0.610) 4.573 11.118 ( -13.707 3.330 -0.393) 14.111 12.968 ( -0.275 -3.749 0.661) 3.816 14.328 ( -3.940 -2.948 -3.095) 5.813 15.322 ( -3.249 2.591 4.100) 5.838 25.428 ( -0.576 -0.036 0.369) 0.685======================= Grid point 1008 (485/488) =======================q-point: ( 0.53 0.40 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.221 ( 4.857 -0.786 -5.328) 7.253 3.492 ( -0.441 1.180 4.452) 4.627 3.896 ( 6.406 -15.876 -2.544) 17.307 4.272 ( 0.846 -15.327 3.833) 15.822 5.660 ( 1.735 -0.793 0.494) 1.971 6.045 ( 4.491 8.130 -1.210) 9.366 6.678 ( 1.477 2.177 -2.836) 3.868 8.154 ( 2.377 5.624 0.070) 6.106 8.317 ( 0.324 0.509 -0.630) 0.872 9.385 ( 0.855 -6.117 0.098) 6.178 9.644 ( -1.947 3.489 -1.007) 4.120 10.553 ( 7.415 7.121 1.433) 10.381 10.660 ( -2.450 4.946 0.919) 5.595 10.935 ( -10.498 1.922 -0.734) 10.698 13.054 ( 0.830 -5.406 0.637) 5.506 14.366 ( -2.437 -6.087 -1.411) 6.707 15.243 ( -1.813 4.044 1.759) 4.768 25.425 ( -0.268 -0.097 0.178) 0.336======================= Grid point 1009 (486/488) =======================q-point: ( 0.60 0.40 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 458Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.245 ( -0.000 0.539 0.000) 0.539 3.471 ( -0.000 0.174 -0.000) 0.174 4.252 ( -0.000 -20.435 -0.000) 20.435 4.530 ( -0.000 -13.747 0.000) 13.747 5.678 ( -0.000 -1.002 0.000) 1.002 5.906 ( -0.000 10.155 0.000) 10.155 6.648 ( -0.000 2.233 0.000) 2.233 8.051 ( -0.000 7.749 0.000) 7.749 8.328 ( -0.000 -2.066 0.000) 2.066 9.490 ( -0.000 -4.520 0.000) 4.520 9.565 ( -0.000 4.228 0.000) 4.228 10.496 ( 0.001 7.242 -0.000) 7.242 10.496 ( -0.001 7.972 0.000) 7.972 10.868 ( -0.000 1.183 0.000) 1.183 13.135 ( -0.000 -3.024 0.000) 3.024 14.485 ( -0.000 -9.904 0.000) 9.904 15.167 ( -0.000 3.758 0.000) 3.758 25.426 ( -0.000 -0.138 0.000) 0.138======================= Grid point 1023 (487/488) =======================q-point: ( 0.47 0.47 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 488Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.168 ( 3.163 0.000 -1.034) 3.327 3.505 ( 14.065 0.000 -11.659) 18.269 3.723 ( -9.131 -0.000 12.247) 15.276 3.906 ( 1.738 0.000 0.916) 1.965 5.648 ( 3.376 0.000 0.286) 3.388 6.189 ( 5.984 0.000 -1.300) 6.124 6.720 ( 0.692 0.000 -2.766) 2.851 8.253 ( 3.420 0.000 -0.129) 3.422 8.346 ( 1.660 0.000 -0.759) 1.825 9.255 ( -1.628 -0.000 0.193) 1.640 9.715 ( -1.289 -0.000 -1.859) 2.262 10.673 ( -2.551 -0.000 -0.422) 2.586 10.718 ( 11.962 0.000 5.488) 13.161 11.004 ( -14.471 -0.000 -2.302) 14.653 12.926 ( -0.521 -0.000 0.205) 0.560 14.273 ( -1.896 -0.000 -1.589) 2.474 15.323 ( -1.826 -0.000 2.222) 2.876 25.423 ( -0.313 -0.000 0.202) 0.373======================= Grid point 1024 (488/488) =======================q-point: ( 0.53 0.47 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 458Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.210 ( -0.000 -2.532 0.000) 2.532 3.551 ( -0.000 4.396 -0.000) 4.396 3.715 ( -0.000 -8.120 0.000) 8.120 4.036 ( -0.000 -12.413 0.000) 12.413 5.667 ( -0.000 -0.125 0.000) 0.125 6.179 ( -0.000 4.681 0.000) 4.681 6.711 ( -0.000 1.191 0.000) 1.191 8.243 ( -0.000 3.211 0.000) 3.211 8.340 ( -0.000 1.439 0.000) 1.439 9.288 ( -0.000 -4.769 0.000) 4.769 9.686 ( -0.000 2.431 0.000) 2.431 10.649 ( -0.000 1.598 0.000) 1.598 10.795 ( 0.000 6.638 0.000) 6.638 10.863 ( -0.000 -0.458 0.000) 0.458 12.966 ( -0.000 -4.659 0.000) 4.659 14.283 ( -0.000 -2.571 0.000) 2.571 15.292 ( -0.000 2.608 0.000) 2.608 25.422 ( -0.000 -0.061 0.000) 0.061=================== 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 3/32400 10.0 1029.485 1619.316 935.231 0.000 -70.300 -0.000 3/32400 20.0 663.776 669.477 591.325 0.000 14.700 -0.000 3/32400 30.0 357.657 375.581 303.493 0.000 12.168 -0.000 3/32400 40.0 223.382 235.615 180.942 0.000 8.050 -0.000 3/32400 50.0 152.307 159.379 120.046 0.000 5.787 -0.000 3/32400 60.0 110.908 115.081 85.905 0.000 4.420 -0.000 3/32400 70.0 84.968 87.568 64.989 0.000 3.508 -0.000 3/32400 80.0 67.715 69.424 51.296 0.000 2.867 -0.000 3/32400 90.0 55.679 56.854 41.864 0.000 2.404 -0.000 3/32400 100.0 46.952 47.788 35.097 0.000 2.061 -0.000 3/32400 110.0 40.419 41.031 30.076 0.000 1.801 -0.000 3/32400 120.0 35.394 35.852 26.242 0.000 1.599 -0.000 3/32400 130.0 31.436 31.785 23.240 0.000 1.439 -0.000 3/32400 140.0 28.256 28.526 20.839 0.000 1.310 -0.000 3/32400 150.0 25.653 25.865 18.882 0.000 1.203 -0.000 3/32400 160.0 23.490 23.658 17.261 0.000 1.113 -0.000 3/32400 170.0 21.667 21.801 15.898 0.000 1.037 -0.000 3/32400 180.0 20.111 20.219 14.738 0.000 0.971 -0.000 3/32400 190.0 18.769 18.856 13.740 0.000 0.913 -0.000 3/32400 200.0 17.600 17.670 12.871 0.000 0.863 -0.000 3/32400 210.0 16.572 16.630 12.109 0.000 0.818 -0.000 3/32400 220.0 15.662 15.709 11.435 0.000 0.777 -0.000 3/32400 230.0 14.850 14.889 10.834 0.000 0.741 -0.000 3/32400 240.0 14.121 14.153 10.296 0.000 0.708 -0.000 3/32400 250.0 13.463 13.489 9.811 0.000 0.678 -0.000 3/32400 260.0 12.866 12.888 9.371 0.000 0.651 -0.000 3/32400 270.0 12.322 12.339 8.970 0.000 0.625 -0.000 3/32400 280.0 11.824 11.838 8.604 0.000 0.602 -0.000 3/32400 290.0 11.366 11.377 8.267 0.000 0.581 -0.000 3/32400 300.0 10.943 10.952 7.957 0.000 0.561 -0.000 3/32400 310.0 10.552 10.559 7.669 0.000 0.542 -0.000 3/32400 320.0 10.189 10.194 7.403 0.000 0.524 -0.000 3/32400 330.0 9.851 9.854 7.155 0.000 0.508 -0.000 3/32400 340.0 9.535 9.537 6.924 0.000 0.493 -0.000 3/32400 350.0 9.240 9.241 6.708 0.000 0.478 -0.000 3/32400 360.0 8.963 8.963 6.505 0.000 0.465 -0.000 3/32400 370.0 8.702 8.701 6.315 0.000 0.452 -0.000 3/32400 380.0 8.457 8.455 6.135 0.000 0.440 -0.000 3/32400 390.0 8.226 8.223 5.966 0.000 0.428 -0.000 3/32400 400.0 8.007 8.004 5.807 0.000 0.418 -0.000 3/32400 410.0 7.800 7.797 5.656 0.000 0.407 -0.000 3/32400 420.0 7.604 7.600 5.512 0.000 0.397 -0.000 3/32400 430.0 7.417 7.413 5.376 0.000 0.388 -0.000 3/32400 440.0 7.240 7.236 5.247 0.000 0.379 -0.000 3/32400 450.0 7.071 7.066 5.124 0.000 0.371 -0.000 3/32400 460.0 6.910 6.905 5.007 0.000 0.362 -0.000 3/32400 470.0 6.756 6.751 4.895 0.000 0.355 -0.000 3/32400 480.0 6.610 6.605 4.788 0.000 0.347 -0.000 3/32400 490.0 6.469 6.464 4.686 0.000 0.340 -0.000 3/32400 500.0 6.335 6.329 4.588 0.000 0.333 -0.000 3/32400 510.0 6.206 6.200 4.494 0.000 0.327 -0.000 3/32400 520.0 6.082 6.077 4.404 0.000 0.320 -0.000 3/32400 530.0 5.964 5.958 4.318 0.000 0.314 -0.000 3/32400 540.0 5.849 5.844 4.235 0.000 0.308 -0.000 3/32400 550.0 5.740 5.734 4.155 0.000 0.303 -0.000 3/32400 560.0 5.634 5.628 4.078 0.000 0.297 -0.000 3/32400 570.0 5.532 5.527 4.004 0.000 0.292 -0.000 3/32400 580.0 5.434 5.429 3.933 0.000 0.287 -0.000 3/32400 590.0 5.340 5.334 3.864 0.000 0.282 -0.000 3/32400 600.0 5.249 5.243 3.798 0.000 0.277 -0.000 3/32400 610.0 5.160 5.155 3.734 0.000 0.273 -0.000 3/32400 620.0 5.075 5.069 3.672 0.000 0.268 -0.000 3/32400 630.0 4.993 4.987 3.612 0.000 0.264 -0.000 3/32400 640.0 4.913 4.907 3.554 0.000 0.260 -0.000 3/32400 650.0 4.836 4.830 3.498 0.000 0.256 -0.000 3/32400 660.0 4.761 4.755 3.444 0.000 0.252 -0.000 3/32400 670.0 4.688 4.683 3.391 0.000 0.248 -0.000 3/32400 680.0 4.618 4.613 3.340 0.000 0.245 -0.000 3/32400 690.0 4.550 4.544 3.291 0.000 0.241 -0.000 3/32400 700.0 4.484 4.478 3.243 0.000 0.238 -0.000 3/32400 710.0 4.420 4.414 3.196 0.000 0.234 -0.000 3/32400 720.0 4.357 4.352 3.151 0.000 0.231 -0.000 3/32400 730.0 4.297 4.291 3.107 0.000 0.228 -0.000 3/32400 740.0 4.238 4.232 3.064 0.000 0.225 -0.000 3/32400 750.0 4.180 4.175 3.023 0.000 0.222 -0.000 3/32400 760.0 4.124 4.119 2.982 0.000 0.219 -0.000 3/32400 770.0 4.070 4.065 2.943 0.000 0.216 -0.000 3/32400 780.0 4.017 4.012 2.904 0.000 0.213 -0.000 3/32400 790.0 3.966 3.960 2.867 0.000 0.210 -0.000 3/32400 800.0 3.915 3.910 2.831 0.000 0.208 -0.000 3/32400 810.0 3.866 3.861 2.795 0.000 0.205 -0.000 3/32400 820.0 3.819 3.814 2.761 0.000 0.203 -0.000 3/32400 830.0 3.772 3.767 2.727 0.000 0.200 -0.000 3/32400 840.0 3.727 3.722 2.694 0.000 0.198 -0.000 3/32400 850.0 3.682 3.677 2.662 0.000 0.196 -0.000 3/32400 860.0 3.639 3.634 2.631 0.000 0.193 -0.000 3/32400 870.0 3.597 3.592 2.600 0.000 0.191 -0.000 3/32400 880.0 3.556 3.551 2.570 0.000 0.189 -0.000 3/32400 890.0 3.515 3.510 2.541 0.000 0.187 -0.000 3/32400 900.0 3.476 3.471 2.512 0.000 0.185 -0.000 3/32400 910.0 3.437 3.432 2.484 0.000 0.183 -0.000 3/32400 920.0 3.400 3.395 2.457 0.000 0.181 -0.000 3/32400 930.0 3.363 3.358 2.430 0.000 0.179 -0.000 3/32400 940.0 3.327 3.322 2.404 0.000 0.177 -0.000 3/32400 950.0 3.291 3.287 2.379 0.000 0.175 -0.000 3/32400 960.0 3.257 3.252 2.354 0.000 0.173 -0.000 3/32400 970.0 3.223 3.218 2.329 0.000 0.171 -0.000 3/32400 980.0 3.190 3.185 2.305 0.000 0.170 -0.000 3/32400 990.0 3.157 3.153 2.282 0.000 0.168 -0.000 3/32400 1000.0 3.125 3.121 2.259 0.000 0.166 -0.000 3/32400Thermal conductivity related properties were written into "kappa-m15158.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 08:59:48]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|